USER MOD reduce.3.24.130724 H: found=0, std=0, add=2093, rem=0, adj=82 USER MOD reduce.3.24.130724 removed 2093 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 1 TYR N :NH3+ -174:sc= 1.37 (180deg=0.549) USER MOD Set 1.2: B 132 SER OG : rot -139:sc= 0.994 USER MOD Set 2.1: B 99 ASN : amide:sc= -0.512 K(o=-3.3,f=-5.6) USER MOD Set 2.2: B 117 HIS : no HD1:sc= -2.79! K(o=-3.3!,f=-5.5) USER MOD Set 3.1: B 109 SER OG : rot 83:sc= 2.15 USER MOD Set 3.2: B 110 CYS SG : rot 96:sc= -2.8! USER MOD Set 3.3: B 111 LYS NZ :NH3+ 178:sc= 2.38 (180deg=1.22) USER MOD Set 4.1: B 88 ASN : amide:sc= -2.09! C(o=-1.8!,f=-4.4!) USER MOD Set 4.2: B 90 TYR OH : rot 180:sc= 0.306 USER MOD Set 5.1: B 69 SER OG : rot 111:sc= 1.65 USER MOD Set 5.2: B 70 GLN : amide:sc= 0.494 K(o=2.1,f=1.2) USER MOD Set 6.1: B 51 SER OG : rot -170:sc= 0.766 USER MOD Set 6.2: B 56 GLN : amide:sc= -0.747 K(o=0.019,f=-8.2!) USER MOD Set 7.1: B 36 GLN : amide:sc= -2.68! C(o=-2.2!,f=-3.9!) USER MOD Set 7.2: B 54 THR OG1 : rot 71:sc= 0.483 USER MOD Set 8.1: B 10 SER OG : rot 180:sc= 1.06 USER MOD Set 8.2: B 106 LYS NZ :NH3+ 177:sc= 1.84 (180deg=0.89) USER MOD Set 9.1: B 5 LYS NZ :NH3+ 144:sc= 1.74 (180deg=-0.884) USER MOD Set 9.2: B 38 GLN : amide:sc= 0.642 K(o=2.5,f=-13!) USER MOD Set 9.3: B 40 SER OG : rot 71:sc= 0.142 USER MOD Set10.1: B 1 TYR OH : rot 150:sc= 0.758 USER MOD Set10.2: B 3 LYS NZ :NH3+ 168:sc= 0.966 (180deg=0) USER MOD Set11.1: A 124 GLN : amide:sc= 1.71 K(o=4.4,f=-18!) USER MOD Set11.2: B 105 LYS NZ :NH3+ 170:sc= 2.51 (180deg=1.03) USER MOD Set11.3: B 107 ASN : amide:sc= 0.177 K(o=4.4,f=-12!) USER MOD Set12.1: A 25 GLN : amide:sc= 0.123 K(o=-1.9,f=-3.4) USER MOD Set12.2: A 64 ASN : amide:sc= -2! C(o=-1.9!,f=-8!) USER MOD Set13.1: A 41 TYR OH : rot -121:sc= 0.768 USER MOD Set13.2: A 43 LYS NZ :NH3+ 135:sc= 1.16 (180deg=0.546) USER MOD Single : A 1 GLU N :NH3+ -175:sc= 0.369 (180deg=0.215) USER MOD Single : A 2 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0074) USER MOD Single : A 5 LYS NZ :NH3+ -171:sc= 0.101 (180deg=-0.0748) USER MOD Single : A 7 GLN : amide:sc= -0.133 K(o=-0.13,f=-0.91) USER MOD Single : A 8 TYR OH : rot 2:sc= 2.02 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.124 K(o=0.12,f=-2.1) USER MOD Single : A 16 ASN : amide:sc= -7.8! C(o=-7.8!,f=-22!) USER MOD Single : A 17 ASN : amide:sc= -2.66! C(o=-2.7!,f=-4.4!) USER MOD Single : A 18 GLN : amide:sc= -2.15! C(o=-2.2!,f=-4.9!) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -79:sc= 1.26 USER MOD Single : A 38 SER OG : rot 167:sc= -0.194! USER MOD Single : A 50 LYS NZ :NH3+ -167:sc= -0.0967 (180deg=-0.349) USER MOD Single : A 51 LYS NZ :NH3+ 175:sc= 1.72 (180deg=1.66) USER MOD Single : A 52 LYS NZ :NH3+ 169:sc= 0.72! (180deg=0.246!) USER MOD Single : A 53 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00412) USER MOD Single : A 56 THR OG1 : rot -86:sc= 0.00232 USER MOD Single : A 57 LYS NZ :NH3+ -163:sc= -0.192 (180deg=-0.667) USER MOD Single : A 59 HIS : +bothHN:sc= 0.461 K(o=0.46,f=-7.6!) USER MOD Single : A 61 LYS NZ :NH3+ 154:sc= 2.08 (180deg=-0.465!) USER MOD Single : A 62 THR OG1 : rot 170:sc= 0.00941 USER MOD Single : A 68 ASN : amide:sc= 0.273 K(o=0.27,f=-0.34) USER MOD Single : A 70 GLN :FLIP amide:sc= -5.71! C(o=-6.6!,f=-5.7!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0317) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0.166 USER MOD Single : A 83 LYS NZ :NH3+ 150:sc= 2.13 (180deg=1.34) USER MOD Single : A 84 THR OG1 : rot 167:sc= 1.51 USER MOD Single : A 87 MET CE :methyl -108:sc= -2.25! (180deg=-5.5!) USER MOD Single : A 90 TYR OH : rot -78:sc= 1.1 USER MOD Single : A 96 SER OG : rot 78:sc= 1.18 USER MOD Single : A 97 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0557) USER MOD Single : A 98 HIS : no HE2:sc= -0.705 K(o=-0.71,f=-2.9!) USER MOD Single : A 105 LYS NZ :NH3+ -177:sc= 2.09 (180deg=2.02) USER MOD Single : A 108 MET CE :methyl -174:sc= -5.02! (180deg=-5.18!) USER MOD Single : A 109 ASN : amide:sc= 0.232 K(o=0.23,f=-5.1!) USER MOD Single : A 110 THR OG1 : rot -78:sc= -0.937 USER MOD Single : A 115 HIS : no HD1:sc= -0.791 X(o=-0.79,f=-1) USER MOD Single : A 117 THR OG1 : rot 76:sc= 0.0807 USER MOD Single : A 125 SER OG : rot -77:sc= 1.71 USER MOD Single : A 128 LYS NZ :NH3+ 171:sc= 0.936 (180deg=0.575) USER MOD Single : B 2 LYS NZ :NH3+ -155:sc= 1.14 (180deg=0.567) USER MOD Single : B 8 TYR OH : rot 150:sc= -0.66 USER MOD Single : B 9 CYS SG : rot 73:sc= -9.56! USER MOD Single : B 11 ASN : amide:sc= -0.481 K(o=-0.48,f=-4.6!) USER MOD Single : B 14 HIS : no HE2:sc= -2.58! C(o=-2.6!,f=-11!) USER MOD Single : B 23 THR OG1 : rot 75:sc= 0.655 USER MOD Single : B 27 THR OG1 : rot -1:sc= -1.27! USER MOD Single : B 31 SER OG : rot 103:sc= 1.17 USER MOD Single : B 33 GLN : amide:sc= -0.477 X(o=-0.48,f=0) USER MOD Single : B 34 HIS : no HE2:sc= 0.0991 K(o=0.099,f=-7.2!) USER MOD Single : B 43 SER OG : rot 152:sc= 1.32 USER MOD Single : B 48 TYR OH : rot 180:sc= -0.36 USER MOD Single : B 50 LYS NZ :NH3+ 164:sc= 0.696 (180deg=-0.452!) USER MOD Single : B 52 THR OG1 : rot 104:sc= 1.24 USER MOD Single : B 57 TYR OH : rot 180:sc= 0 USER MOD Single : B 60 MET CE :methyl -148:sc= -3.91! (180deg=-6.05!) USER MOD Single : B 62 THR OG1 : rot -92:sc= 0.681 USER MOD Single : B 67 TYR OH : rot 180:sc= 0 USER MOD Single : B 71 THR OG1 : rot 180:sc= 0.0465 USER MOD Single : B 73 ASN : amide:sc= -1.43 K(o=-1.4,f=-7.2!) USER MOD Single : B 76 CYS SG : rot 119:sc= -0.029 USER MOD Single : B 85 ASN : amide:sc= 0.895 K(o=0.9,f=-0.48) USER MOD Single : B 86 HIS : no HD1:sc= -0.679 K(o=-0.68,f=-1.3) USER MOD Single : B 87 TYR OH : rot 180:sc= 0 USER MOD Single : B 89 THR OG1 : rot 71:sc= 0.869 USER MOD Single : B 92 SER OG : rot 101:sc= 0.0567 USER MOD Single : B 93 LYS NZ :NH3+ -156:sc= 1.07 (180deg=0.465) USER MOD Single : B 94 LYS NZ :NH3+ 171:sc= 2.03 (180deg=1.65) USER MOD Single : B 95 HIS : +bothHN:sc= -2.48! C(o=-2.5!,f=-15!) USER MOD Single : B 98 LYS NZ :NH3+ -166:sc= 0.877 (180deg=-0.0194) USER MOD Single : B 116 THR OG1 : rot -166:sc= 0.106 USER MOD Single : B 118 TYR OH : rot 180:sc= 0 USER MOD Single : B 120 GLN : amide:sc= -0.298 X(o=-0.3,f=-0.44) USER MOD Single : B 121 LYS NZ :NH3+ 141:sc= 0.755 (180deg=-3!) USER MOD Single : B 131 SER OG : rot 180:sc= 0.049 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -3.050 -9.624 -9.424 1.00 1.27 N ATOM 2 CA GLU A 1 -4.206 -9.168 -8.612 1.00 1.19 C ATOM 3 C GLU A 1 -5.389 -8.846 -9.517 1.00 1.13 C ATOM 4 O GLU A 1 -5.200 -8.347 -10.627 1.00 1.23 O ATOM 5 CB GLU A 1 -3.846 -7.920 -7.790 1.00 1.29 C ATOM 6 CG GLU A 1 -2.640 -8.097 -6.880 1.00 1.33 C ATOM 7 CD GLU A 1 -1.328 -7.997 -7.629 1.00 1.34 C ATOM 8 OE1 GLU A 1 -0.856 -9.029 -8.142 1.00 1.78 O ATOM 9 OE2 GLU A 1 -0.775 -6.883 -7.727 1.00 1.58 O ATOM 0 H1 GLU A 1 -2.278 -9.921 -8.793 1.00 1.27 H new ATOM 0 H2 GLU A 1 -3.339 -10.426 -10.019 1.00 1.27 H new ATOM 0 H3 GLU A 1 -2.722 -8.844 -10.029 1.00 1.27 H new ATOM 0 HA GLU A 1 -4.473 -9.975 -7.929 1.00 1.19 H new ATOM 0 HB2 GLU A 1 -3.653 -7.093 -8.473 1.00 1.29 H new ATOM 0 HB3 GLU A 1 -4.706 -7.638 -7.183 1.00 1.29 H new ATOM 0 HG2 GLU A 1 -2.666 -7.340 -6.097 1.00 1.33 H new ATOM 0 HG3 GLU A 1 -2.700 -9.067 -6.387 1.00 1.33 H new ATOM 18 N LYS A 2 -6.601 -9.133 -9.049 1.00 1.06 N ATOM 19 CA LYS A 2 -7.802 -8.853 -9.826 1.00 1.06 C ATOM 20 C LYS A 2 -9.050 -8.826 -8.946 1.00 1.00 C ATOM 21 O LYS A 2 -9.438 -9.839 -8.361 1.00 1.09 O ATOM 22 CB LYS A 2 -7.979 -9.872 -10.965 1.00 1.15 C ATOM 23 CG LYS A 2 -7.459 -11.275 -10.660 1.00 1.28 C ATOM 24 CD LYS A 2 -8.323 -12.014 -9.647 1.00 1.45 C ATOM 25 CE LYS A 2 -9.785 -12.071 -10.074 1.00 1.55 C ATOM 26 NZ LYS A 2 -9.974 -12.854 -11.324 1.00 1.60 N ATOM 0 H LYS A 2 -6.776 -9.558 -8.138 1.00 1.06 H new ATOM 0 HA LYS A 2 -7.674 -7.863 -10.263 1.00 1.06 H new ATOM 0 HB2 LYS A 2 -9.039 -9.939 -11.212 1.00 1.15 H new ATOM 0 HB3 LYS A 2 -7.469 -9.496 -11.852 1.00 1.15 H new ATOM 0 HG2 LYS A 2 -7.416 -11.851 -11.584 1.00 1.28 H new ATOM 0 HG3 LYS A 2 -6.440 -11.206 -10.280 1.00 1.28 H new ATOM 0 HD2 LYS A 2 -7.944 -13.028 -9.518 1.00 1.45 H new ATOM 0 HD3 LYS A 2 -8.248 -11.520 -8.678 1.00 1.45 H new ATOM 0 HE2 LYS A 2 -10.378 -12.516 -9.275 1.00 1.55 H new ATOM 0 HE3 LYS A 2 -10.159 -11.058 -10.222 1.00 1.55 H new ATOM 0 HZ1 LYS A 2 -10.986 -12.895 -11.558 1.00 1.60 H new ATOM 0 HZ2 LYS A 2 -9.457 -12.397 -12.102 1.00 1.60 H new ATOM 0 HZ3 LYS A 2 -9.611 -13.819 -11.187 1.00 1.60 H new ATOM 40 N LEU A 3 -9.642 -7.648 -8.814 1.00 0.93 N ATOM 41 CA LEU A 3 -10.867 -7.489 -8.038 1.00 0.89 C ATOM 42 C LEU A 3 -11.962 -6.814 -8.879 1.00 0.92 C ATOM 43 O LEU A 3 -13.108 -6.714 -8.444 1.00 1.07 O ATOM 44 CB LEU A 3 -10.591 -6.686 -6.762 1.00 0.81 C ATOM 45 CG LEU A 3 -11.823 -6.382 -5.901 1.00 0.78 C ATOM 46 CD1 LEU A 3 -12.411 -7.667 -5.336 1.00 0.85 C ATOM 47 CD2 LEU A 3 -11.471 -5.410 -4.785 1.00 0.73 C ATOM 0 H LEU A 3 -9.295 -6.786 -9.234 1.00 0.93 H new ATOM 0 HA LEU A 3 -11.223 -8.479 -7.752 1.00 0.89 H new ATOM 0 HB2 LEU A 3 -9.871 -7.235 -6.156 1.00 0.81 H new ATOM 0 HB3 LEU A 3 -10.121 -5.743 -7.040 1.00 0.81 H new ATOM 0 HG LEU A 3 -12.577 -5.913 -6.533 1.00 0.78 H new ATOM 0 HD11 LEU A 3 -13.284 -7.431 -4.728 1.00 0.85 H new ATOM 0 HD12 LEU A 3 -12.706 -8.323 -6.155 1.00 0.85 H new ATOM 0 HD13 LEU A 3 -11.665 -8.169 -4.720 1.00 0.85 H new ATOM 0 HD21 LEU A 3 -12.359 -5.207 -4.186 1.00 0.73 H new ATOM 0 HD22 LEU A 3 -10.698 -5.847 -4.153 1.00 0.73 H new ATOM 0 HD23 LEU A 3 -11.104 -4.479 -5.216 1.00 0.73 H new ATOM 59 N GLY A 4 -11.605 -6.360 -10.086 1.00 0.98 N ATOM 60 CA GLY A 4 -12.567 -5.714 -10.954 1.00 1.00 C ATOM 61 C GLY A 4 -12.403 -4.211 -10.974 1.00 0.95 C ATOM 62 O GLY A 4 -11.280 -3.702 -11.055 1.00 0.95 O ATOM 0 H GLY A 4 -10.663 -6.432 -10.472 1.00 0.98 H new ATOM 0 HA2 GLY A 4 -12.458 -6.103 -11.966 1.00 1.00 H new ATOM 0 HA3 GLY A 4 -13.576 -5.963 -10.624 1.00 1.00 H new ATOM 66 N LYS A 5 -13.517 -3.498 -10.892 1.00 0.94 N ATOM 67 CA LYS A 5 -13.498 -2.043 -10.904 1.00 0.93 C ATOM 68 C LYS A 5 -14.512 -1.483 -9.915 1.00 0.91 C ATOM 69 O LYS A 5 -15.525 -2.125 -9.620 1.00 0.93 O ATOM 70 CB LYS A 5 -13.788 -1.510 -12.310 1.00 1.03 C ATOM 71 CG LYS A 5 -12.720 -1.869 -13.332 1.00 1.24 C ATOM 72 CD LYS A 5 -12.676 -0.865 -14.471 1.00 1.33 C ATOM 73 CE LYS A 5 -12.204 0.499 -13.992 1.00 1.48 C ATOM 74 NZ LYS A 5 -12.030 1.459 -15.113 1.00 1.80 N ATOM 0 H LYS A 5 -14.449 -3.906 -10.816 1.00 0.94 H new ATOM 0 HA LYS A 5 -12.502 -1.717 -10.605 1.00 0.93 H new ATOM 0 HB2 LYS A 5 -14.747 -1.902 -12.647 1.00 1.03 H new ATOM 0 HB3 LYS A 5 -13.885 -0.425 -12.265 1.00 1.03 H new ATOM 0 HG2 LYS A 5 -11.747 -1.908 -12.843 1.00 1.24 H new ATOM 0 HG3 LYS A 5 -12.917 -2.864 -13.731 1.00 1.24 H new ATOM 0 HD2 LYS A 5 -12.009 -1.228 -15.253 1.00 1.33 H new ATOM 0 HD3 LYS A 5 -13.667 -0.773 -14.915 1.00 1.33 H new ATOM 0 HE2 LYS A 5 -12.925 0.901 -13.280 1.00 1.48 H new ATOM 0 HE3 LYS A 5 -11.259 0.388 -13.461 1.00 1.48 H new ATOM 0 HZ1 LYS A 5 -11.565 2.321 -14.763 1.00 1.80 H new ATOM 0 HZ2 LYS A 5 -11.443 1.025 -15.854 1.00 1.80 H new ATOM 0 HZ3 LYS A 5 -12.960 1.704 -15.508 1.00 1.80 H new ATOM 88 N LEU A 6 -14.233 -0.289 -9.408 1.00 0.87 N ATOM 89 CA LEU A 6 -15.111 0.363 -8.452 1.00 0.86 C ATOM 90 C LEU A 6 -15.263 1.841 -8.799 1.00 0.89 C ATOM 91 O LEU A 6 -14.446 2.674 -8.410 1.00 1.02 O ATOM 92 CB LEU A 6 -14.570 0.187 -7.028 1.00 0.81 C ATOM 93 CG LEU A 6 -15.489 0.684 -5.908 1.00 0.88 C ATOM 94 CD1 LEU A 6 -15.322 -0.173 -4.662 1.00 1.09 C ATOM 95 CD2 LEU A 6 -15.199 2.143 -5.591 1.00 1.20 C ATOM 0 H LEU A 6 -13.399 0.248 -9.646 1.00 0.87 H new ATOM 0 HA LEU A 6 -16.096 -0.102 -8.501 1.00 0.86 H new ATOM 0 HB2 LEU A 6 -14.365 -0.871 -6.864 1.00 0.81 H new ATOM 0 HB3 LEU A 6 -13.617 0.711 -6.952 1.00 0.81 H new ATOM 0 HG LEU A 6 -16.522 0.602 -6.248 1.00 0.88 H new ATOM 0 HD11 LEU A 6 -15.982 0.194 -3.877 1.00 1.09 H new ATOM 0 HD12 LEU A 6 -15.576 -1.207 -4.895 1.00 1.09 H new ATOM 0 HD13 LEU A 6 -14.288 -0.121 -4.321 1.00 1.09 H new ATOM 0 HD21 LEU A 6 -15.861 2.480 -4.793 1.00 1.20 H new ATOM 0 HD22 LEU A 6 -14.162 2.247 -5.271 1.00 1.20 H new ATOM 0 HD23 LEU A 6 -15.366 2.749 -6.481 1.00 1.20 H new ATOM 107 N GLN A 7 -16.296 2.143 -9.568 1.00 0.89 N ATOM 108 CA GLN A 7 -16.580 3.518 -9.983 1.00 0.92 C ATOM 109 C GLN A 7 -17.028 4.343 -8.783 1.00 0.87 C ATOM 110 O GLN A 7 -17.904 3.917 -8.024 1.00 0.87 O ATOM 111 CB GLN A 7 -17.658 3.558 -11.080 1.00 1.02 C ATOM 112 CG GLN A 7 -18.721 2.478 -10.951 1.00 1.10 C ATOM 113 CD GLN A 7 -18.415 1.264 -11.808 1.00 1.29 C ATOM 114 OE1 GLN A 7 -18.106 1.385 -12.991 1.00 1.60 O ATOM 115 NE2 GLN A 7 -18.459 0.084 -11.207 1.00 1.41 N ATOM 0 H GLN A 7 -16.959 1.454 -9.922 1.00 0.89 H new ATOM 0 HA GLN A 7 -15.664 3.943 -10.393 1.00 0.92 H new ATOM 0 HB2 GLN A 7 -18.144 4.534 -11.061 1.00 1.02 H new ATOM 0 HB3 GLN A 7 -17.175 3.462 -12.052 1.00 1.02 H new ATOM 0 HG2 GLN A 7 -18.801 2.173 -9.908 1.00 1.10 H new ATOM 0 HG3 GLN A 7 -19.689 2.888 -11.238 1.00 1.10 H new ATOM 0 HE21 GLN A 7 -18.720 0.022 -10.223 1.00 1.41 H new ATOM 0 HE22 GLN A 7 -18.232 -0.763 -11.728 1.00 1.41 H new ATOM 124 N TYR A 8 -16.431 5.521 -8.609 1.00 0.86 N ATOM 125 CA TYR A 8 -16.784 6.385 -7.488 1.00 0.83 C ATOM 126 C TYR A 8 -16.666 7.865 -7.837 1.00 0.85 C ATOM 127 O TYR A 8 -16.089 8.243 -8.862 1.00 0.88 O ATOM 128 CB TYR A 8 -15.916 6.070 -6.256 1.00 0.77 C ATOM 129 CG TYR A 8 -14.412 6.135 -6.481 1.00 0.74 C ATOM 130 CD1 TYR A 8 -13.814 7.208 -7.138 1.00 0.90 C ATOM 131 CD2 TYR A 8 -13.589 5.116 -6.023 1.00 0.84 C ATOM 132 CE1 TYR A 8 -12.446 7.258 -7.334 1.00 0.88 C ATOM 133 CE2 TYR A 8 -12.221 5.158 -6.212 1.00 0.85 C ATOM 134 CZ TYR A 8 -11.650 6.229 -6.869 1.00 0.73 C ATOM 135 OH TYR A 8 -10.277 6.260 -7.068 1.00 0.74 O ATOM 0 H TYR A 8 -15.708 5.895 -9.224 1.00 0.86 H new ATOM 0 HA TYR A 8 -17.829 6.180 -7.255 1.00 0.83 H new ATOM 0 HB2 TYR A 8 -16.177 6.768 -5.461 1.00 0.77 H new ATOM 0 HB3 TYR A 8 -16.170 5.072 -5.900 1.00 0.77 H new ATOM 0 HD1 TYR A 8 -14.431 8.017 -7.501 1.00 0.90 H new ATOM 0 HD2 TYR A 8 -14.027 4.273 -5.509 1.00 0.84 H new ATOM 0 HE1 TYR A 8 -12.002 8.098 -7.848 1.00 0.88 H new ATOM 0 HE2 TYR A 8 -11.600 4.354 -5.846 1.00 0.85 H new ATOM 0 HH TYR A 8 -10.031 7.094 -7.519 1.00 0.74 H new ATOM 145 N SER A 9 -17.239 8.686 -6.969 1.00 0.85 N ATOM 146 CA SER A 9 -17.206 10.131 -7.099 1.00 0.89 C ATOM 147 C SER A 9 -16.954 10.720 -5.714 1.00 0.85 C ATOM 148 O SER A 9 -17.869 10.809 -4.890 1.00 0.90 O ATOM 149 CB SER A 9 -18.521 10.647 -7.697 1.00 1.00 C ATOM 150 OG SER A 9 -19.632 9.884 -7.242 1.00 1.20 O ATOM 0 H SER A 9 -17.745 8.361 -6.145 1.00 0.85 H new ATOM 0 HA SER A 9 -16.409 10.436 -7.777 1.00 0.89 H new ATOM 0 HB2 SER A 9 -18.660 11.693 -7.425 1.00 1.00 H new ATOM 0 HB3 SER A 9 -18.469 10.604 -8.785 1.00 1.00 H new ATOM 0 HG SER A 9 -20.456 10.237 -7.638 1.00 1.20 H new ATOM 156 N LEU A 10 -15.706 11.081 -5.448 1.00 0.80 N ATOM 157 CA LEU A 10 -15.320 11.601 -4.143 1.00 0.78 C ATOM 158 C LEU A 10 -15.125 13.115 -4.166 1.00 0.82 C ATOM 159 O LEU A 10 -14.208 13.624 -4.816 1.00 0.94 O ATOM 160 CB LEU A 10 -14.027 10.917 -3.664 1.00 0.75 C ATOM 161 CG LEU A 10 -13.765 9.513 -4.232 1.00 0.71 C ATOM 162 CD1 LEU A 10 -12.467 8.947 -3.676 1.00 0.75 C ATOM 163 CD2 LEU A 10 -14.931 8.578 -3.930 1.00 0.76 C ATOM 0 H LEU A 10 -14.941 11.023 -6.121 1.00 0.80 H new ATOM 0 HA LEU A 10 -16.132 11.381 -3.450 1.00 0.78 H new ATOM 0 HB2 LEU A 10 -13.183 11.556 -3.922 1.00 0.75 H new ATOM 0 HB3 LEU A 10 -14.055 10.849 -2.576 1.00 0.75 H new ATOM 0 HG LEU A 10 -13.670 9.596 -5.315 1.00 0.71 H new ATOM 0 HD11 LEU A 10 -12.297 7.953 -4.089 1.00 0.75 H new ATOM 0 HD12 LEU A 10 -11.638 9.600 -3.950 1.00 0.75 H new ATOM 0 HD13 LEU A 10 -12.534 8.882 -2.590 1.00 0.75 H new ATOM 0 HD21 LEU A 10 -14.722 7.591 -4.342 1.00 0.76 H new ATOM 0 HD22 LEU A 10 -15.065 8.500 -2.851 1.00 0.76 H new ATOM 0 HD23 LEU A 10 -15.841 8.974 -4.381 1.00 0.76 H new ATOM 175 N ASP A 11 -15.990 13.830 -3.459 1.00 0.80 N ATOM 176 CA ASP A 11 -15.895 15.284 -3.376 1.00 0.87 C ATOM 177 C ASP A 11 -15.308 15.676 -2.020 1.00 0.82 C ATOM 178 O ASP A 11 -15.104 14.814 -1.159 1.00 0.80 O ATOM 179 CB ASP A 11 -17.257 15.955 -3.617 1.00 0.97 C ATOM 180 CG ASP A 11 -18.333 15.520 -2.643 1.00 0.99 C ATOM 181 OD1 ASP A 11 -18.443 16.129 -1.563 1.00 1.15 O ATOM 182 OD2 ASP A 11 -19.089 14.576 -2.973 1.00 1.17 O ATOM 0 H ASP A 11 -16.766 13.428 -2.934 1.00 0.80 H new ATOM 0 HA ASP A 11 -15.231 15.639 -4.164 1.00 0.87 H new ATOM 0 HB2 ASP A 11 -17.136 17.036 -3.551 1.00 0.97 H new ATOM 0 HB3 ASP A 11 -17.587 15.732 -4.632 1.00 0.97 H new ATOM 187 N TYR A 12 -15.028 16.959 -1.818 1.00 0.87 N ATOM 188 CA TYR A 12 -14.419 17.404 -0.566 1.00 0.86 C ATOM 189 C TYR A 12 -15.219 18.518 0.113 1.00 0.89 C ATOM 190 O TYR A 12 -16.059 19.175 -0.511 1.00 0.96 O ATOM 191 CB TYR A 12 -12.983 17.884 -0.821 1.00 0.89 C ATOM 192 CG TYR A 12 -12.885 19.348 -1.197 1.00 0.95 C ATOM 193 CD1 TYR A 12 -13.286 19.797 -2.451 1.00 1.02 C ATOM 194 CD2 TYR A 12 -12.404 20.281 -0.287 1.00 1.02 C ATOM 195 CE1 TYR A 12 -13.207 21.136 -2.785 1.00 1.14 C ATOM 196 CE2 TYR A 12 -12.322 21.620 -0.614 1.00 1.14 C ATOM 197 CZ TYR A 12 -12.726 22.043 -1.862 1.00 1.19 C ATOM 198 OH TYR A 12 -12.647 23.379 -2.190 1.00 1.36 O ATOM 0 H TYR A 12 -15.209 17.701 -2.494 1.00 0.87 H new ATOM 0 HA TYR A 12 -14.414 16.547 0.108 1.00 0.86 H new ATOM 0 HB2 TYR A 12 -12.387 17.708 0.074 1.00 0.89 H new ATOM 0 HB3 TYR A 12 -12.545 17.284 -1.619 1.00 0.89 H new ATOM 0 HD1 TYR A 12 -13.664 19.089 -3.174 1.00 1.02 H new ATOM 0 HD2 TYR A 12 -12.089 19.953 0.693 1.00 1.02 H new ATOM 0 HE1 TYR A 12 -13.520 21.471 -3.763 1.00 1.14 H new ATOM 0 HE2 TYR A 12 -11.943 22.332 0.104 1.00 1.14 H new ATOM 0 HH TYR A 12 -12.289 23.882 -1.429 1.00 1.36 H new ATOM 208 N ASP A 13 -14.945 18.701 1.402 1.00 0.88 N ATOM 209 CA ASP A 13 -15.576 19.739 2.211 1.00 0.93 C ATOM 210 C ASP A 13 -14.483 20.582 2.871 1.00 0.93 C ATOM 211 O ASP A 13 -13.314 20.189 2.872 1.00 0.99 O ATOM 212 CB ASP A 13 -16.490 19.123 3.278 1.00 0.99 C ATOM 213 CG ASP A 13 -17.317 20.164 4.013 1.00 1.09 C ATOM 214 OD1 ASP A 13 -16.795 20.783 4.967 1.00 1.22 O ATOM 215 OD2 ASP A 13 -18.491 20.370 3.635 1.00 1.24 O ATOM 0 H ASP A 13 -14.275 18.130 1.917 1.00 0.88 H new ATOM 0 HA ASP A 13 -16.193 20.368 1.570 1.00 0.93 H new ATOM 0 HB2 ASP A 13 -17.157 18.402 2.806 1.00 0.99 H new ATOM 0 HB3 ASP A 13 -15.883 18.573 3.997 1.00 0.99 H new ATOM 220 N PHE A 14 -14.854 21.724 3.433 1.00 0.97 N ATOM 221 CA PHE A 14 -13.880 22.605 4.068 1.00 1.01 C ATOM 222 C PHE A 14 -14.266 22.973 5.503 1.00 1.06 C ATOM 223 O PHE A 14 -13.412 22.962 6.391 1.00 1.16 O ATOM 224 CB PHE A 14 -13.684 23.875 3.234 1.00 1.11 C ATOM 225 CG PHE A 14 -14.969 24.498 2.772 1.00 1.25 C ATOM 226 CD1 PHE A 14 -15.556 24.099 1.583 1.00 1.36 C ATOM 227 CD2 PHE A 14 -15.591 25.479 3.529 1.00 1.37 C ATOM 228 CE1 PHE A 14 -16.739 24.664 1.158 1.00 1.55 C ATOM 229 CE2 PHE A 14 -16.775 26.045 3.109 1.00 1.55 C ATOM 230 CZ PHE A 14 -17.351 25.638 1.921 1.00 1.62 C ATOM 0 H PHE A 14 -15.816 22.062 3.463 1.00 0.97 H new ATOM 0 HA PHE A 14 -12.941 22.053 4.118 1.00 1.01 H new ATOM 0 HB2 PHE A 14 -13.129 24.604 3.824 1.00 1.11 H new ATOM 0 HB3 PHE A 14 -13.073 23.637 2.364 1.00 1.11 H new ATOM 0 HD1 PHE A 14 -15.082 23.337 0.982 1.00 1.36 H new ATOM 0 HD2 PHE A 14 -15.143 25.803 4.457 1.00 1.37 H new ATOM 0 HE1 PHE A 14 -17.187 24.345 0.229 1.00 1.55 H new ATOM 0 HE2 PHE A 14 -17.252 26.806 3.708 1.00 1.55 H new ATOM 0 HZ PHE A 14 -18.279 26.081 1.590 1.00 1.62 H new ATOM 240 N GLN A 15 -15.545 23.279 5.749 1.00 1.08 N ATOM 241 CA GLN A 15 -15.969 23.667 7.093 1.00 1.15 C ATOM 242 C GLN A 15 -15.977 22.463 8.037 1.00 1.10 C ATOM 243 O GLN A 15 -15.584 22.582 9.201 1.00 1.16 O ATOM 244 CB GLN A 15 -17.336 24.374 7.075 1.00 1.24 C ATOM 245 CG GLN A 15 -18.539 23.450 7.176 1.00 1.28 C ATOM 246 CD GLN A 15 -18.812 22.696 5.893 1.00 1.41 C ATOM 247 OE1 GLN A 15 -18.511 23.178 4.799 1.00 1.78 O ATOM 248 NE2 GLN A 15 -19.389 21.512 6.014 1.00 1.48 N ATOM 0 H GLN A 15 -16.288 23.266 5.050 1.00 1.08 H new ATOM 0 HA GLN A 15 -15.240 24.383 7.472 1.00 1.15 H new ATOM 0 HB2 GLN A 15 -17.372 25.084 7.901 1.00 1.24 H new ATOM 0 HB3 GLN A 15 -17.417 24.952 6.154 1.00 1.24 H new ATOM 0 HG2 GLN A 15 -18.376 22.736 7.983 1.00 1.28 H new ATOM 0 HG3 GLN A 15 -19.419 24.036 7.442 1.00 1.28 H new ATOM 0 HE21 GLN A 15 -19.622 21.150 6.939 1.00 1.48 H new ATOM 0 HE22 GLN A 15 -19.601 20.961 5.182 1.00 1.48 H new ATOM 257 N ASN A 16 -16.394 21.301 7.539 1.00 1.02 N ATOM 258 CA ASN A 16 -16.416 20.100 8.370 1.00 0.99 C ATOM 259 C ASN A 16 -15.046 19.417 8.339 1.00 0.94 C ATOM 260 O ASN A 16 -14.661 18.739 9.293 1.00 0.96 O ATOM 261 CB ASN A 16 -17.534 19.126 7.949 1.00 1.01 C ATOM 262 CG ASN A 16 -17.289 18.427 6.620 1.00 1.01 C ATOM 263 OD1 ASN A 16 -16.156 18.264 6.182 1.00 1.15 O ATOM 264 ND2 ASN A 16 -18.359 17.985 5.976 1.00 1.10 N ATOM 0 H ASN A 16 -16.716 21.166 6.581 1.00 1.02 H new ATOM 0 HA ASN A 16 -16.635 20.404 9.394 1.00 0.99 H new ATOM 0 HB2 ASN A 16 -17.654 18.371 8.726 1.00 1.01 H new ATOM 0 HB3 ASN A 16 -18.474 19.674 7.890 1.00 1.01 H new ATOM 0 HD21 ASN A 16 -18.253 17.493 5.089 1.00 1.10 H new ATOM 0 HD22 ASN A 16 -19.289 18.137 6.367 1.00 1.10 H new ATOM 271 N ASN A 17 -14.306 19.631 7.246 1.00 0.91 N ATOM 272 CA ASN A 17 -12.974 19.061 7.068 1.00 0.88 C ATOM 273 C ASN A 17 -13.031 17.540 6.955 1.00 0.81 C ATOM 274 O ASN A 17 -12.630 16.809 7.868 1.00 0.82 O ATOM 275 CB ASN A 17 -12.025 19.498 8.196 1.00 0.92 C ATOM 276 CG ASN A 17 -11.137 20.664 7.787 1.00 0.99 C ATOM 277 OD1 ASN A 17 -10.657 20.728 6.654 1.00 1.02 O ATOM 278 ND2 ASN A 17 -10.910 21.597 8.703 1.00 1.25 N ATOM 0 H ASN A 17 -14.617 20.205 6.462 1.00 0.91 H new ATOM 0 HA ASN A 17 -12.575 19.447 6.130 1.00 0.88 H new ATOM 0 HB2 ASN A 17 -12.611 19.780 9.071 1.00 0.92 H new ATOM 0 HB3 ASN A 17 -11.400 18.654 8.489 1.00 0.92 H new ATOM 0 HD21 ASN A 17 -10.322 22.399 8.479 1.00 1.25 H new ATOM 0 HD22 ASN A 17 -11.324 21.512 9.631 1.00 1.25 H new ATOM 285 N GLN A 18 -13.560 17.074 5.830 1.00 0.79 N ATOM 286 CA GLN A 18 -13.669 15.651 5.546 1.00 0.75 C ATOM 287 C GLN A 18 -14.006 15.443 4.073 1.00 0.73 C ATOM 288 O GLN A 18 -14.672 16.282 3.457 1.00 0.79 O ATOM 289 CB GLN A 18 -14.728 14.988 6.439 1.00 0.79 C ATOM 290 CG GLN A 18 -16.160 15.384 6.114 1.00 0.92 C ATOM 291 CD GLN A 18 -16.878 14.360 5.259 1.00 1.07 C ATOM 292 OE1 GLN A 18 -17.413 13.377 5.772 1.00 1.40 O ATOM 293 NE2 GLN A 18 -16.922 14.594 3.956 1.00 1.27 N ATOM 0 H GLN A 18 -13.925 17.673 5.090 1.00 0.79 H new ATOM 0 HA GLN A 18 -12.710 15.181 5.763 1.00 0.75 H new ATOM 0 HB2 GLN A 18 -14.634 13.906 6.351 1.00 0.79 H new ATOM 0 HB3 GLN A 18 -14.520 15.242 7.478 1.00 0.79 H new ATOM 0 HG2 GLN A 18 -16.712 15.524 7.043 1.00 0.92 H new ATOM 0 HG3 GLN A 18 -16.157 16.343 5.597 1.00 0.92 H new ATOM 0 HE21 GLN A 18 -16.465 15.421 3.571 1.00 1.27 H new ATOM 0 HE22 GLN A 18 -17.412 13.948 3.338 1.00 1.27 H new ATOM 302 N LEU A 19 -13.541 14.338 3.508 1.00 0.68 N ATOM 303 CA LEU A 19 -13.801 14.043 2.104 1.00 0.68 C ATOM 304 C LEU A 19 -15.060 13.199 1.948 1.00 0.70 C ATOM 305 O LEU A 19 -15.323 12.293 2.745 1.00 0.73 O ATOM 306 CB LEU A 19 -12.611 13.322 1.462 1.00 0.63 C ATOM 307 CG LEU A 19 -11.295 14.104 1.457 1.00 0.70 C ATOM 308 CD1 LEU A 19 -10.232 13.342 0.684 1.00 0.70 C ATOM 309 CD2 LEU A 19 -11.492 15.493 0.865 1.00 0.87 C ATOM 0 H LEU A 19 -12.986 13.635 3.995 1.00 0.68 H new ATOM 0 HA LEU A 19 -13.950 14.994 1.593 1.00 0.68 H new ATOM 0 HB2 LEU A 19 -12.452 12.380 1.987 1.00 0.63 H new ATOM 0 HB3 LEU A 19 -12.870 13.074 0.433 1.00 0.63 H new ATOM 0 HG LEU A 19 -10.961 14.220 2.488 1.00 0.70 H new ATOM 0 HD11 LEU A 19 -9.302 13.910 0.689 1.00 0.70 H new ATOM 0 HD12 LEU A 19 -10.067 12.372 1.152 1.00 0.70 H new ATOM 0 HD13 LEU A 19 -10.563 13.197 -0.344 1.00 0.70 H new ATOM 0 HD21 LEU A 19 -10.543 16.029 0.872 1.00 0.87 H new ATOM 0 HD22 LEU A 19 -11.851 15.404 -0.160 1.00 0.87 H new ATOM 0 HD23 LEU A 19 -12.223 16.041 1.459 1.00 0.87 H new ATOM 321 N LEU A 20 -15.825 13.502 0.911 1.00 0.73 N ATOM 322 CA LEU A 20 -17.058 12.791 0.629 1.00 0.76 C ATOM 323 C LEU A 20 -16.784 11.662 -0.357 1.00 0.73 C ATOM 324 O LEU A 20 -16.960 11.818 -1.567 1.00 0.78 O ATOM 325 CB LEU A 20 -18.104 13.758 0.065 1.00 0.87 C ATOM 326 CG LEU A 20 -19.561 13.296 0.154 1.00 0.95 C ATOM 327 CD1 LEU A 20 -19.773 12.001 -0.615 1.00 0.95 C ATOM 328 CD2 LEU A 20 -19.976 13.140 1.609 1.00 0.96 C ATOM 0 H LEU A 20 -15.609 14.244 0.245 1.00 0.73 H new ATOM 0 HA LEU A 20 -17.448 12.363 1.552 1.00 0.76 H new ATOM 0 HB2 LEU A 20 -18.012 14.708 0.591 1.00 0.87 H new ATOM 0 HB3 LEU A 20 -17.867 13.948 -0.982 1.00 0.87 H new ATOM 0 HG LEU A 20 -20.191 14.058 -0.305 1.00 0.95 H new ATOM 0 HD11 LEU A 20 -20.817 11.697 -0.534 1.00 0.95 H new ATOM 0 HD12 LEU A 20 -19.520 12.155 -1.664 1.00 0.95 H new ATOM 0 HD13 LEU A 20 -19.135 11.222 -0.199 1.00 0.95 H new ATOM 0 HD21 LEU A 20 -21.014 12.811 1.658 1.00 0.96 H new ATOM 0 HD22 LEU A 20 -19.338 12.400 2.092 1.00 0.96 H new ATOM 0 HD23 LEU A 20 -19.874 14.097 2.121 1.00 0.96 H new ATOM 340 N VAL A 21 -16.318 10.537 0.163 1.00 0.67 N ATOM 341 CA VAL A 21 -16.019 9.386 -0.670 1.00 0.65 C ATOM 342 C VAL A 21 -17.292 8.600 -0.973 1.00 0.69 C ATOM 343 O VAL A 21 -17.835 7.918 -0.099 1.00 0.72 O ATOM 344 CB VAL A 21 -14.975 8.459 -0.006 1.00 0.61 C ATOM 345 CG1 VAL A 21 -14.726 7.218 -0.858 1.00 0.62 C ATOM 346 CG2 VAL A 21 -13.674 9.212 0.243 1.00 0.61 C ATOM 0 H VAL A 21 -16.139 10.398 1.158 1.00 0.67 H new ATOM 0 HA VAL A 21 -15.596 9.759 -1.603 1.00 0.65 H new ATOM 0 HB VAL A 21 -15.373 8.132 0.955 1.00 0.61 H new ATOM 0 HG11 VAL A 21 -13.988 6.583 -0.369 1.00 0.62 H new ATOM 0 HG12 VAL A 21 -15.658 6.666 -0.977 1.00 0.62 H new ATOM 0 HG13 VAL A 21 -14.354 7.518 -1.838 1.00 0.62 H new ATOM 0 HG21 VAL A 21 -12.951 8.544 0.711 1.00 0.61 H new ATOM 0 HG22 VAL A 21 -13.275 9.572 -0.705 1.00 0.61 H new ATOM 0 HG23 VAL A 21 -13.864 10.059 0.902 1.00 0.61 H new ATOM 356 N GLY A 22 -17.783 8.739 -2.201 1.00 0.74 N ATOM 357 CA GLY A 22 -18.978 8.031 -2.618 1.00 0.79 C ATOM 358 C GLY A 22 -18.673 7.009 -3.696 1.00 0.82 C ATOM 359 O GLY A 22 -18.347 7.375 -4.829 1.00 0.89 O ATOM 0 H GLY A 22 -17.370 9.334 -2.919 1.00 0.74 H new ATOM 0 HA2 GLY A 22 -19.425 7.532 -1.758 1.00 0.79 H new ATOM 0 HA3 GLY A 22 -19.713 8.744 -2.990 1.00 0.79 H new ATOM 363 N ILE A 23 -18.762 5.732 -3.341 1.00 0.80 N ATOM 364 CA ILE A 23 -18.487 4.655 -4.289 1.00 0.85 C ATOM 365 C ILE A 23 -19.781 4.136 -4.910 1.00 0.93 C ATOM 366 O ILE A 23 -20.615 3.532 -4.234 1.00 1.14 O ATOM 367 CB ILE A 23 -17.676 3.485 -3.658 1.00 0.84 C ATOM 368 CG1 ILE A 23 -18.512 2.635 -2.678 1.00 0.98 C ATOM 369 CG2 ILE A 23 -16.429 4.019 -2.965 1.00 0.72 C ATOM 370 CD1 ILE A 23 -19.021 3.378 -1.462 1.00 1.04 C ATOM 0 H ILE A 23 -19.022 5.416 -2.406 1.00 0.80 H new ATOM 0 HA ILE A 23 -17.863 5.084 -5.073 1.00 0.85 H new ATOM 0 HB ILE A 23 -17.385 2.826 -4.476 1.00 0.84 H new ATOM 0 HG12 ILE A 23 -19.365 2.221 -3.216 1.00 0.98 H new ATOM 0 HG13 ILE A 23 -17.907 1.792 -2.344 1.00 0.98 H new ATOM 0 HG21 ILE A 23 -15.872 3.190 -2.529 1.00 0.72 H new ATOM 0 HG22 ILE A 23 -15.802 4.535 -3.692 1.00 0.72 H new ATOM 0 HG23 ILE A 23 -16.720 4.715 -2.178 1.00 0.72 H new ATOM 0 HD11 ILE A 23 -19.596 2.698 -0.834 1.00 1.04 H new ATOM 0 HD12 ILE A 23 -18.176 3.769 -0.894 1.00 1.04 H new ATOM 0 HD13 ILE A 23 -19.657 4.204 -1.780 1.00 1.04 H new ATOM 382 N ILE A 24 -19.934 4.379 -6.209 1.00 0.91 N ATOM 383 CA ILE A 24 -21.127 3.974 -6.946 1.00 0.98 C ATOM 384 C ILE A 24 -21.383 2.474 -6.815 1.00 0.97 C ATOM 385 O ILE A 24 -22.380 2.056 -6.215 1.00 1.00 O ATOM 386 CB ILE A 24 -21.013 4.333 -8.447 1.00 1.03 C ATOM 387 CG1 ILE A 24 -20.750 5.832 -8.623 1.00 1.05 C ATOM 388 CG2 ILE A 24 -22.277 3.923 -9.190 1.00 1.11 C ATOM 389 CD1 ILE A 24 -20.278 6.205 -10.012 1.00 1.10 C ATOM 0 H ILE A 24 -19.238 4.860 -6.778 1.00 0.91 H new ATOM 0 HA ILE A 24 -21.963 4.520 -6.508 1.00 0.98 H new ATOM 0 HB ILE A 24 -20.171 3.784 -8.869 1.00 1.03 H new ATOM 0 HG12 ILE A 24 -21.664 6.382 -8.399 1.00 1.05 H new ATOM 0 HG13 ILE A 24 -20.002 6.149 -7.897 1.00 1.05 H new ATOM 0 HG21 ILE A 24 -22.180 4.183 -10.244 1.00 1.11 H new ATOM 0 HG22 ILE A 24 -22.423 2.847 -9.093 1.00 1.11 H new ATOM 0 HG23 ILE A 24 -23.134 4.445 -8.765 1.00 1.11 H new ATOM 0 HD11 ILE A 24 -20.112 7.281 -10.063 1.00 1.10 H new ATOM 0 HD12 ILE A 24 -19.347 5.683 -10.232 1.00 1.10 H new ATOM 0 HD13 ILE A 24 -21.035 5.920 -10.742 1.00 1.10 H new ATOM 401 N GLN A 25 -20.476 1.669 -7.365 1.00 0.94 N ATOM 402 CA GLN A 25 -20.623 0.220 -7.326 1.00 0.94 C ATOM 403 C GLN A 25 -19.334 -0.485 -7.738 1.00 0.91 C ATOM 404 O GLN A 25 -18.535 0.060 -8.507 1.00 0.92 O ATOM 405 CB GLN A 25 -21.751 -0.213 -8.267 1.00 1.02 C ATOM 406 CG GLN A 25 -21.471 0.089 -9.735 1.00 1.06 C ATOM 407 CD GLN A 25 -21.437 -1.148 -10.632 1.00 1.27 C ATOM 408 OE1 GLN A 25 -21.774 -1.070 -11.812 1.00 1.74 O ATOM 409 NE2 GLN A 25 -21.023 -2.295 -10.097 1.00 1.29 N ATOM 0 H GLN A 25 -19.635 1.996 -7.841 1.00 0.94 H new ATOM 0 HA GLN A 25 -20.859 -0.061 -6.300 1.00 0.94 H new ATOM 0 HB2 GLN A 25 -21.919 -1.284 -8.151 1.00 1.02 H new ATOM 0 HB3 GLN A 25 -22.672 0.288 -7.971 1.00 1.02 H new ATOM 0 HG2 GLN A 25 -22.235 0.773 -10.106 1.00 1.06 H new ATOM 0 HG3 GLN A 25 -20.515 0.607 -9.812 1.00 1.06 H new ATOM 0 HE21 GLN A 25 -20.749 -2.330 -9.115 1.00 1.29 H new ATOM 0 HE22 GLN A 25 -20.979 -3.138 -10.669 1.00 1.29 H new ATOM 418 N ALA A 26 -19.156 -1.698 -7.234 1.00 0.91 N ATOM 419 CA ALA A 26 -17.996 -2.512 -7.560 1.00 0.90 C ATOM 420 C ALA A 26 -18.422 -3.627 -8.503 1.00 0.94 C ATOM 421 O ALA A 26 -19.564 -4.092 -8.434 1.00 1.02 O ATOM 422 CB ALA A 26 -17.368 -3.083 -6.297 1.00 0.89 C ATOM 0 H ALA A 26 -19.810 -2.143 -6.590 1.00 0.91 H new ATOM 0 HA ALA A 26 -17.245 -1.893 -8.050 1.00 0.90 H new ATOM 0 HB1 ALA A 26 -16.502 -3.689 -6.563 1.00 0.89 H new ATOM 0 HB2 ALA A 26 -17.054 -2.267 -5.646 1.00 0.89 H new ATOM 0 HB3 ALA A 26 -18.098 -3.703 -5.776 1.00 0.89 H new ATOM 428 N ALA A 27 -17.530 -4.043 -9.389 1.00 0.96 N ATOM 429 CA ALA A 27 -17.850 -5.095 -10.347 1.00 1.02 C ATOM 430 C ALA A 27 -16.696 -6.078 -10.512 1.00 1.02 C ATOM 431 O ALA A 27 -15.539 -5.724 -10.282 1.00 1.02 O ATOM 432 CB ALA A 27 -18.205 -4.482 -11.691 1.00 1.11 C ATOM 0 H ALA A 27 -16.583 -3.672 -9.466 1.00 0.96 H new ATOM 0 HA ALA A 27 -18.706 -5.648 -9.960 1.00 1.02 H new ATOM 0 HB1 ALA A 27 -18.443 -5.274 -12.401 1.00 1.11 H new ATOM 0 HB2 ALA A 27 -19.069 -3.827 -11.575 1.00 1.11 H new ATOM 0 HB3 ALA A 27 -17.359 -3.904 -12.062 1.00 1.11 H new ATOM 438 N GLU A 28 -17.030 -7.310 -10.911 1.00 1.05 N ATOM 439 CA GLU A 28 -16.043 -8.369 -11.140 1.00 1.08 C ATOM 440 C GLU A 28 -15.394 -8.836 -9.837 1.00 1.03 C ATOM 441 O GLU A 28 -14.207 -9.186 -9.812 1.00 1.07 O ATOM 442 CB GLU A 28 -14.969 -7.897 -12.125 1.00 1.13 C ATOM 443 CG GLU A 28 -15.525 -7.442 -13.462 1.00 1.26 C ATOM 444 CD GLU A 28 -14.440 -6.986 -14.412 1.00 1.40 C ATOM 445 OE1 GLU A 28 -13.873 -7.836 -15.128 1.00 1.65 O ATOM 446 OE2 GLU A 28 -14.147 -5.777 -14.451 1.00 1.70 O ATOM 0 H GLU A 28 -17.992 -7.600 -11.084 1.00 1.05 H new ATOM 0 HA GLU A 28 -16.573 -9.219 -11.569 1.00 1.08 H new ATOM 0 HB2 GLU A 28 -14.412 -7.076 -11.675 1.00 1.13 H new ATOM 0 HB3 GLU A 28 -14.261 -8.708 -12.293 1.00 1.13 H new ATOM 0 HG2 GLU A 28 -16.083 -8.260 -13.918 1.00 1.26 H new ATOM 0 HG3 GLU A 28 -16.230 -6.626 -13.301 1.00 1.26 H new ATOM 453 N LEU A 29 -16.181 -8.868 -8.768 1.00 1.04 N ATOM 454 CA LEU A 29 -15.687 -9.296 -7.466 1.00 1.00 C ATOM 455 C LEU A 29 -15.593 -10.824 -7.413 1.00 1.04 C ATOM 456 O LEU A 29 -16.487 -11.521 -7.896 1.00 1.09 O ATOM 457 CB LEU A 29 -16.604 -8.782 -6.353 1.00 0.98 C ATOM 458 CG LEU A 29 -16.814 -7.263 -6.334 1.00 0.94 C ATOM 459 CD1 LEU A 29 -17.954 -6.890 -5.398 1.00 0.95 C ATOM 460 CD2 LEU A 29 -15.532 -6.556 -5.921 1.00 0.92 C ATOM 0 H LEU A 29 -17.166 -8.602 -8.778 1.00 1.04 H new ATOM 0 HA LEU A 29 -14.692 -8.878 -7.316 1.00 1.00 H new ATOM 0 HB2 LEU A 29 -17.575 -9.266 -6.451 1.00 0.98 H new ATOM 0 HB3 LEU A 29 -16.190 -9.088 -5.392 1.00 0.98 H new ATOM 0 HG LEU A 29 -17.079 -6.940 -7.341 1.00 0.94 H new ATOM 0 HD11 LEU A 29 -18.086 -5.808 -5.399 1.00 0.95 H new ATOM 0 HD12 LEU A 29 -18.873 -7.368 -5.736 1.00 0.95 H new ATOM 0 HD13 LEU A 29 -17.720 -7.226 -4.388 1.00 0.95 H new ATOM 0 HD21 LEU A 29 -15.697 -5.479 -5.912 1.00 0.92 H new ATOM 0 HD22 LEU A 29 -15.239 -6.886 -4.924 1.00 0.92 H new ATOM 0 HD23 LEU A 29 -14.740 -6.796 -6.630 1.00 0.92 H new ATOM 472 N PRO A 30 -14.491 -11.362 -6.862 1.00 1.04 N ATOM 473 CA PRO A 30 -14.283 -12.814 -6.749 1.00 1.09 C ATOM 474 C PRO A 30 -15.412 -13.518 -5.989 1.00 1.09 C ATOM 475 O PRO A 30 -16.094 -12.907 -5.154 1.00 1.07 O ATOM 476 CB PRO A 30 -12.966 -12.932 -5.972 1.00 1.08 C ATOM 477 CG PRO A 30 -12.271 -11.635 -6.198 1.00 1.05 C ATOM 478 CD PRO A 30 -13.354 -10.602 -6.320 1.00 1.01 C ATOM 0 HA PRO A 30 -14.262 -13.291 -7.729 1.00 1.09 H new ATOM 0 HB2 PRO A 30 -13.147 -13.104 -4.911 1.00 1.08 H new ATOM 0 HB3 PRO A 30 -12.368 -13.769 -6.333 1.00 1.08 H new ATOM 0 HG2 PRO A 30 -11.601 -11.402 -5.371 1.00 1.05 H new ATOM 0 HG3 PRO A 30 -11.662 -11.671 -7.101 1.00 1.05 H new ATOM 0 HD2 PRO A 30 -13.593 -10.155 -5.355 1.00 1.01 H new ATOM 0 HD3 PRO A 30 -13.061 -9.789 -6.984 1.00 1.01 H new ATOM 486 N ALA A 31 -15.597 -14.804 -6.278 1.00 1.15 N ATOM 487 CA ALA A 31 -16.637 -15.598 -5.634 1.00 1.16 C ATOM 488 C ALA A 31 -16.151 -16.167 -4.305 1.00 1.18 C ATOM 489 O ALA A 31 -15.133 -16.860 -4.249 1.00 1.29 O ATOM 490 CB ALA A 31 -17.093 -16.724 -6.555 1.00 1.21 C ATOM 0 H ALA A 31 -15.037 -15.319 -6.957 1.00 1.15 H new ATOM 0 HA ALA A 31 -17.484 -14.942 -5.432 1.00 1.16 H new ATOM 0 HB1 ALA A 31 -17.869 -17.307 -6.060 1.00 1.21 H new ATOM 0 HB2 ALA A 31 -17.490 -16.301 -7.478 1.00 1.21 H new ATOM 0 HB3 ALA A 31 -16.246 -17.370 -6.787 1.00 1.21 H new ATOM 496 N LEU A 32 -16.871 -15.854 -3.239 1.00 1.16 N ATOM 497 CA LEU A 32 -16.535 -16.335 -1.901 1.00 1.18 C ATOM 498 C LEU A 32 -17.620 -17.282 -1.391 1.00 1.22 C ATOM 499 O LEU A 32 -17.327 -18.373 -0.895 1.00 1.31 O ATOM 500 CB LEU A 32 -16.368 -15.150 -0.937 1.00 1.15 C ATOM 501 CG LEU A 32 -15.293 -15.318 0.146 1.00 1.23 C ATOM 502 CD1 LEU A 32 -15.566 -16.546 1.006 1.00 1.54 C ATOM 503 CD2 LEU A 32 -13.908 -15.398 -0.484 1.00 1.42 C ATOM 0 H LEU A 32 -17.701 -15.263 -3.272 1.00 1.16 H new ATOM 0 HA LEU A 32 -15.592 -16.880 -1.952 1.00 1.18 H new ATOM 0 HB2 LEU A 32 -16.133 -14.261 -1.521 1.00 1.15 H new ATOM 0 HB3 LEU A 32 -17.325 -14.966 -0.448 1.00 1.15 H new ATOM 0 HG LEU A 32 -15.328 -14.442 0.794 1.00 1.23 H new ATOM 0 HD11 LEU A 32 -14.788 -16.639 1.764 1.00 1.54 H new ATOM 0 HD12 LEU A 32 -16.536 -16.441 1.492 1.00 1.54 H new ATOM 0 HD13 LEU A 32 -15.569 -17.437 0.378 1.00 1.54 H new ATOM 0 HD21 LEU A 32 -13.159 -15.517 0.299 1.00 1.42 H new ATOM 0 HD22 LEU A 32 -13.865 -16.252 -1.161 1.00 1.42 H new ATOM 0 HD23 LEU A 32 -13.708 -14.483 -1.041 1.00 1.42 H new ATOM 515 N ASP A 33 -18.873 -16.869 -1.546 1.00 1.20 N ATOM 516 CA ASP A 33 -20.014 -17.661 -1.101 1.00 1.24 C ATOM 517 C ASP A 33 -20.161 -18.927 -1.942 1.00 1.29 C ATOM 518 O ASP A 33 -19.762 -18.960 -3.114 1.00 1.28 O ATOM 519 CB ASP A 33 -21.301 -16.829 -1.179 1.00 1.24 C ATOM 520 CG ASP A 33 -22.526 -17.589 -0.705 1.00 1.29 C ATOM 521 OD1 ASP A 33 -23.144 -18.299 -1.522 1.00 1.38 O ATOM 522 OD2 ASP A 33 -22.885 -17.462 0.488 1.00 1.31 O ATOM 0 H ASP A 33 -19.126 -15.982 -1.981 1.00 1.20 H new ATOM 0 HA ASP A 33 -19.840 -17.954 -0.066 1.00 1.24 H new ATOM 0 HB2 ASP A 33 -21.183 -15.929 -0.576 1.00 1.24 H new ATOM 0 HB3 ASP A 33 -21.456 -16.505 -2.208 1.00 1.24 H new ATOM 527 N MET A 34 -20.725 -19.966 -1.340 1.00 1.36 N ATOM 528 CA MET A 34 -20.927 -21.235 -2.028 1.00 1.42 C ATOM 529 C MET A 34 -22.030 -21.108 -3.084 1.00 1.45 C ATOM 530 O MET A 34 -23.165 -21.548 -2.873 1.00 1.63 O ATOM 531 CB MET A 34 -21.274 -22.343 -1.024 1.00 1.48 C ATOM 532 CG MET A 34 -21.481 -23.710 -1.661 1.00 1.56 C ATOM 533 SD MET A 34 -19.977 -24.364 -2.412 1.00 1.64 S ATOM 534 CE MET A 34 -20.619 -25.825 -3.225 1.00 1.78 C ATOM 0 H MET A 34 -21.052 -19.955 -0.374 1.00 1.36 H new ATOM 0 HA MET A 34 -19.998 -21.502 -2.531 1.00 1.42 H new ATOM 0 HB2 MET A 34 -20.475 -22.414 -0.286 1.00 1.48 H new ATOM 0 HB3 MET A 34 -22.180 -22.062 -0.487 1.00 1.48 H new ATOM 0 HG2 MET A 34 -21.837 -24.409 -0.904 1.00 1.56 H new ATOM 0 HG3 MET A 34 -22.260 -23.638 -2.420 1.00 1.56 H new ATOM 0 HE1 MET A 34 -19.808 -26.342 -3.737 1.00 1.78 H new ATOM 0 HE2 MET A 34 -21.062 -26.489 -2.483 1.00 1.78 H new ATOM 0 HE3 MET A 34 -21.379 -25.534 -3.950 1.00 1.78 H new ATOM 544 N GLY A 35 -21.692 -20.483 -4.207 1.00 1.41 N ATOM 545 CA GLY A 35 -22.648 -20.304 -5.287 1.00 1.42 C ATOM 546 C GLY A 35 -22.186 -19.290 -6.321 1.00 1.38 C ATOM 547 O GLY A 35 -22.964 -18.435 -6.752 1.00 1.37 O ATOM 0 H GLY A 35 -20.767 -20.094 -4.390 1.00 1.41 H new ATOM 0 HA2 GLY A 35 -22.820 -21.263 -5.777 1.00 1.42 H new ATOM 0 HA3 GLY A 35 -23.603 -19.983 -4.871 1.00 1.42 H new ATOM 551 N GLY A 36 -20.916 -19.381 -6.718 1.00 1.38 N ATOM 552 CA GLY A 36 -20.361 -18.465 -7.705 1.00 1.36 C ATOM 553 C GLY A 36 -20.697 -17.013 -7.421 1.00 1.29 C ATOM 554 O GLY A 36 -20.905 -16.227 -8.344 1.00 1.29 O ATOM 0 H GLY A 36 -20.258 -20.078 -6.371 1.00 1.38 H new ATOM 0 HA2 GLY A 36 -19.278 -18.583 -7.733 1.00 1.36 H new ATOM 0 HA3 GLY A 36 -20.737 -18.733 -8.693 1.00 1.36 H new ATOM 558 N THR A 37 -20.750 -16.658 -6.144 1.00 1.25 N ATOM 559 CA THR A 37 -21.064 -15.299 -5.732 1.00 1.20 C ATOM 560 C THR A 37 -20.495 -15.035 -4.341 1.00 1.16 C ATOM 561 O THR A 37 -19.844 -15.907 -3.764 1.00 1.18 O ATOM 562 CB THR A 37 -22.590 -15.038 -5.741 1.00 1.23 C ATOM 563 OG1 THR A 37 -23.314 -16.236 -5.402 1.00 1.30 O ATOM 564 CG2 THR A 37 -23.041 -14.538 -7.104 1.00 1.26 C ATOM 0 H THR A 37 -20.578 -17.300 -5.370 1.00 1.25 H new ATOM 0 HA THR A 37 -20.607 -14.617 -6.449 1.00 1.20 H new ATOM 0 HB THR A 37 -22.802 -14.273 -4.994 1.00 1.23 H new ATOM 0 HG1 THR A 37 -23.356 -16.825 -6.184 1.00 1.30 H new ATOM 0 HG21 THR A 37 -24.116 -14.361 -7.089 1.00 1.26 H new ATOM 0 HG22 THR A 37 -22.523 -13.608 -7.340 1.00 1.26 H new ATOM 0 HG23 THR A 37 -22.807 -15.286 -7.862 1.00 1.26 H new ATOM 572 N SER A 38 -20.727 -13.843 -3.806 1.00 1.12 N ATOM 573 CA SER A 38 -20.222 -13.489 -2.485 1.00 1.09 C ATOM 574 C SER A 38 -21.080 -12.395 -1.859 1.00 1.06 C ATOM 575 O SER A 38 -22.022 -11.899 -2.489 1.00 1.07 O ATOM 576 CB SER A 38 -18.769 -13.008 -2.598 1.00 1.06 C ATOM 577 OG SER A 38 -18.077 -13.700 -3.626 1.00 1.13 O ATOM 0 H SER A 38 -21.261 -13.105 -4.266 1.00 1.12 H new ATOM 0 HA SER A 38 -20.264 -14.372 -1.847 1.00 1.09 H new ATOM 0 HB2 SER A 38 -18.753 -11.937 -2.802 1.00 1.06 H new ATOM 0 HB3 SER A 38 -18.258 -13.159 -1.647 1.00 1.06 H new ATOM 0 HG SER A 38 -17.232 -13.242 -3.817 1.00 1.13 H new ATOM 583 N ASP A 39 -20.747 -12.032 -0.625 1.00 1.04 N ATOM 584 CA ASP A 39 -21.443 -10.972 0.101 1.00 1.02 C ATOM 585 C ASP A 39 -20.455 -9.831 0.326 1.00 0.97 C ATOM 586 O ASP A 39 -20.089 -9.522 1.460 1.00 0.94 O ATOM 587 CB ASP A 39 -21.981 -11.484 1.450 1.00 1.04 C ATOM 588 CG ASP A 39 -23.230 -12.344 1.326 1.00 1.09 C ATOM 589 OD1 ASP A 39 -23.439 -12.976 0.263 1.00 1.14 O ATOM 590 OD2 ASP A 39 -24.012 -12.416 2.302 1.00 1.13 O ATOM 0 H ASP A 39 -19.987 -12.463 -0.099 1.00 1.04 H new ATOM 0 HA ASP A 39 -22.299 -10.629 -0.481 1.00 1.02 H new ATOM 0 HB2 ASP A 39 -21.201 -12.062 1.946 1.00 1.04 H new ATOM 0 HB3 ASP A 39 -22.201 -10.630 2.091 1.00 1.04 H new ATOM 595 N PRO A 40 -20.009 -9.185 -0.768 1.00 0.96 N ATOM 596 CA PRO A 40 -19.005 -8.124 -0.709 1.00 0.92 C ATOM 597 C PRO A 40 -19.515 -6.775 -0.214 1.00 0.88 C ATOM 598 O PRO A 40 -20.514 -6.235 -0.711 1.00 0.92 O ATOM 599 CB PRO A 40 -18.555 -8.003 -2.162 1.00 0.96 C ATOM 600 CG PRO A 40 -19.762 -8.369 -2.949 1.00 1.01 C ATOM 601 CD PRO A 40 -20.469 -9.427 -2.150 1.00 1.01 C ATOM 0 HA PRO A 40 -18.225 -8.380 0.008 1.00 0.92 H new ATOM 0 HB2 PRO A 40 -18.221 -6.991 -2.393 1.00 0.96 H new ATOM 0 HB3 PRO A 40 -17.721 -8.671 -2.378 1.00 0.96 H new ATOM 0 HG2 PRO A 40 -20.405 -7.502 -3.105 1.00 1.01 H new ATOM 0 HG3 PRO A 40 -19.487 -8.743 -3.935 1.00 1.01 H new ATOM 0 HD2 PRO A 40 -21.552 -9.336 -2.234 1.00 1.01 H new ATOM 0 HD3 PRO A 40 -20.206 -10.429 -2.490 1.00 1.01 H new ATOM 609 N TYR A 41 -18.808 -6.244 0.767 1.00 0.83 N ATOM 610 CA TYR A 41 -19.084 -4.938 1.330 1.00 0.80 C ATOM 611 C TYR A 41 -17.741 -4.249 1.566 1.00 0.74 C ATOM 612 O TYR A 41 -16.820 -4.847 2.127 1.00 0.73 O ATOM 613 CB TYR A 41 -19.900 -5.050 2.625 1.00 0.82 C ATOM 614 CG TYR A 41 -19.109 -5.519 3.827 1.00 0.81 C ATOM 615 CD1 TYR A 41 -18.298 -4.635 4.525 1.00 0.80 C ATOM 616 CD2 TYR A 41 -19.176 -6.836 4.266 1.00 0.89 C ATOM 617 CE1 TYR A 41 -17.575 -5.045 5.621 1.00 0.86 C ATOM 618 CE2 TYR A 41 -18.457 -7.253 5.370 1.00 0.95 C ATOM 619 CZ TYR A 41 -17.657 -6.352 6.042 1.00 0.93 C ATOM 620 OH TYR A 41 -16.943 -6.752 7.150 1.00 1.04 O ATOM 0 H TYR A 41 -18.014 -6.716 1.200 1.00 0.83 H new ATOM 0 HA TYR A 41 -19.690 -4.348 0.643 1.00 0.80 H new ATOM 0 HB2 TYR A 41 -20.336 -4.077 2.850 1.00 0.82 H new ATOM 0 HB3 TYR A 41 -20.728 -5.739 2.459 1.00 0.82 H new ATOM 0 HD1 TYR A 41 -18.233 -3.607 4.202 1.00 0.80 H new ATOM 0 HD2 TYR A 41 -19.798 -7.543 3.737 1.00 0.89 H new ATOM 0 HE1 TYR A 41 -16.946 -4.344 6.149 1.00 0.86 H new ATOM 0 HE2 TYR A 41 -18.521 -8.278 5.705 1.00 0.95 H new ATOM 0 HH TYR A 41 -16.334 -7.478 6.902 1.00 1.04 H new ATOM 630 N VAL A 42 -17.607 -3.014 1.114 1.00 0.72 N ATOM 631 CA VAL A 42 -16.350 -2.296 1.259 1.00 0.67 C ATOM 632 C VAL A 42 -16.226 -1.637 2.626 1.00 0.64 C ATOM 633 O VAL A 42 -17.154 -0.974 3.099 1.00 0.68 O ATOM 634 CB VAL A 42 -16.162 -1.227 0.155 1.00 0.69 C ATOM 635 CG1 VAL A 42 -16.021 -1.885 -1.209 1.00 1.28 C ATOM 636 CG2 VAL A 42 -17.312 -0.228 0.148 1.00 1.10 C ATOM 0 H VAL A 42 -18.347 -2.490 0.647 1.00 0.72 H new ATOM 0 HA VAL A 42 -15.564 -3.045 1.158 1.00 0.67 H new ATOM 0 HB VAL A 42 -15.245 -0.680 0.375 1.00 0.69 H new ATOM 0 HG11 VAL A 42 -15.890 -1.117 -1.972 1.00 1.28 H new ATOM 0 HG12 VAL A 42 -15.154 -2.546 -1.206 1.00 1.28 H new ATOM 0 HG13 VAL A 42 -16.918 -2.464 -1.428 1.00 1.28 H new ATOM 0 HG21 VAL A 42 -17.149 0.509 -0.639 1.00 1.10 H new ATOM 0 HG22 VAL A 42 -18.249 -0.753 -0.035 1.00 1.10 H new ATOM 0 HG23 VAL A 42 -17.362 0.276 1.113 1.00 1.10 H new ATOM 646 N LYS A 43 -15.088 -1.858 3.268 1.00 0.61 N ATOM 647 CA LYS A 43 -14.807 -1.263 4.565 1.00 0.60 C ATOM 648 C LYS A 43 -13.670 -0.265 4.398 1.00 0.56 C ATOM 649 O LYS A 43 -12.540 -0.643 4.074 1.00 0.57 O ATOM 650 CB LYS A 43 -14.467 -2.328 5.621 1.00 0.64 C ATOM 651 CG LYS A 43 -13.554 -3.440 5.126 1.00 0.69 C ATOM 652 CD LYS A 43 -13.213 -4.425 6.238 1.00 0.78 C ATOM 653 CE LYS A 43 -14.463 -5.064 6.832 1.00 0.90 C ATOM 654 NZ LYS A 43 -14.855 -4.441 8.128 1.00 1.00 N ATOM 0 H LYS A 43 -14.339 -2.450 2.908 1.00 0.61 H new ATOM 0 HA LYS A 43 -15.698 -0.750 4.927 1.00 0.60 H new ATOM 0 HB2 LYS A 43 -13.994 -1.839 6.472 1.00 0.64 H new ATOM 0 HB3 LYS A 43 -15.395 -2.771 5.983 1.00 0.64 H new ATOM 0 HG2 LYS A 43 -14.038 -3.970 4.306 1.00 0.69 H new ATOM 0 HG3 LYS A 43 -12.636 -3.007 4.729 1.00 0.69 H new ATOM 0 HD2 LYS A 43 -12.558 -5.203 5.846 1.00 0.78 H new ATOM 0 HD3 LYS A 43 -12.660 -3.909 7.023 1.00 0.78 H new ATOM 0 HE2 LYS A 43 -15.287 -4.973 6.124 1.00 0.90 H new ATOM 0 HE3 LYS A 43 -14.288 -6.129 6.982 1.00 0.90 H new ATOM 0 HZ1 LYS A 43 -15.881 -4.271 8.135 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -14.604 -5.079 8.910 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -14.354 -3.537 8.244 1.00 1.00 H new ATOM 668 N VAL A 44 -13.985 1.004 4.589 1.00 0.55 N ATOM 669 CA VAL A 44 -13.011 2.074 4.418 1.00 0.53 C ATOM 670 C VAL A 44 -11.969 2.074 5.531 1.00 0.53 C ATOM 671 O VAL A 44 -12.309 2.045 6.718 1.00 0.62 O ATOM 672 CB VAL A 44 -13.693 3.457 4.355 1.00 0.59 C ATOM 673 CG1 VAL A 44 -14.747 3.488 3.256 1.00 0.69 C ATOM 674 CG2 VAL A 44 -14.304 3.825 5.700 1.00 0.68 C ATOM 0 H VAL A 44 -14.914 1.323 4.865 1.00 0.55 H new ATOM 0 HA VAL A 44 -12.509 1.884 3.469 1.00 0.53 H new ATOM 0 HB VAL A 44 -12.931 4.199 4.118 1.00 0.59 H new ATOM 0 HG11 VAL A 44 -15.215 4.472 3.229 1.00 0.69 H new ATOM 0 HG12 VAL A 44 -14.276 3.284 2.294 1.00 0.69 H new ATOM 0 HG13 VAL A 44 -15.505 2.731 3.457 1.00 0.69 H new ATOM 0 HG21 VAL A 44 -14.778 4.804 5.629 1.00 0.68 H new ATOM 0 HG22 VAL A 44 -15.050 3.080 5.977 1.00 0.68 H new ATOM 0 HG23 VAL A 44 -13.522 3.855 6.459 1.00 0.68 H new ATOM 684 N PHE A 45 -10.702 2.100 5.134 1.00 0.50 N ATOM 685 CA PHE A 45 -9.599 2.125 6.078 1.00 0.52 C ATOM 686 C PHE A 45 -8.606 3.217 5.700 1.00 0.47 C ATOM 687 O PHE A 45 -8.610 3.713 4.567 1.00 0.52 O ATOM 688 CB PHE A 45 -8.902 0.763 6.136 1.00 0.59 C ATOM 689 CG PHE A 45 -9.445 -0.135 7.213 1.00 0.70 C ATOM 690 CD1 PHE A 45 -9.098 0.068 8.539 1.00 0.88 C ATOM 691 CD2 PHE A 45 -10.300 -1.179 6.901 1.00 0.84 C ATOM 692 CE1 PHE A 45 -9.595 -0.753 9.534 1.00 1.02 C ATOM 693 CE2 PHE A 45 -10.801 -2.004 7.891 1.00 0.96 C ATOM 694 CZ PHE A 45 -10.448 -1.790 9.210 1.00 0.99 C ATOM 0 H PHE A 45 -10.415 2.104 4.155 1.00 0.50 H new ATOM 0 HA PHE A 45 -9.999 2.344 7.068 1.00 0.52 H new ATOM 0 HB2 PHE A 45 -9.007 0.267 5.171 1.00 0.59 H new ATOM 0 HB3 PHE A 45 -7.835 0.915 6.302 1.00 0.59 H new ATOM 0 HD1 PHE A 45 -8.431 0.877 8.798 1.00 0.88 H new ATOM 0 HD2 PHE A 45 -10.579 -1.351 5.872 1.00 0.84 H new ATOM 0 HE1 PHE A 45 -9.317 -0.584 10.564 1.00 1.02 H new ATOM 0 HE2 PHE A 45 -11.467 -2.814 7.634 1.00 0.96 H new ATOM 0 HZ PHE A 45 -10.838 -2.432 9.986 1.00 0.99 H new ATOM 704 N LEU A 46 -7.760 3.585 6.649 1.00 0.45 N ATOM 705 CA LEU A 46 -6.768 4.629 6.437 1.00 0.42 C ATOM 706 C LEU A 46 -5.417 4.217 7.009 1.00 0.45 C ATOM 707 O LEU A 46 -5.323 3.263 7.783 1.00 0.50 O ATOM 708 CB LEU A 46 -7.229 5.931 7.105 1.00 0.43 C ATOM 709 CG LEU A 46 -7.710 7.031 6.157 1.00 0.46 C ATOM 710 CD1 LEU A 46 -6.558 7.541 5.306 1.00 0.60 C ATOM 711 CD2 LEU A 46 -8.851 6.528 5.280 1.00 0.60 C ATOM 0 H LEU A 46 -7.740 3.172 7.582 1.00 0.45 H new ATOM 0 HA LEU A 46 -6.661 4.785 5.364 1.00 0.42 H new ATOM 0 HB2 LEU A 46 -8.037 5.696 7.798 1.00 0.43 H new ATOM 0 HB3 LEU A 46 -6.404 6.324 7.699 1.00 0.43 H new ATOM 0 HG LEU A 46 -8.086 7.860 6.756 1.00 0.46 H new ATOM 0 HD11 LEU A 46 -6.918 8.323 4.637 1.00 0.60 H new ATOM 0 HD12 LEU A 46 -5.780 7.946 5.953 1.00 0.60 H new ATOM 0 HD13 LEU A 46 -6.149 6.720 4.717 1.00 0.60 H new ATOM 0 HD21 LEU A 46 -9.177 7.327 4.614 1.00 0.60 H new ATOM 0 HD22 LEU A 46 -8.508 5.679 4.688 1.00 0.60 H new ATOM 0 HD23 LEU A 46 -9.685 6.218 5.910 1.00 0.60 H new ATOM 723 N LEU A 47 -4.375 4.928 6.594 1.00 0.44 N ATOM 724 CA LEU A 47 -3.023 4.689 7.090 1.00 0.49 C ATOM 725 C LEU A 47 -2.979 5.008 8.594 1.00 0.52 C ATOM 726 O LEU A 47 -4.031 5.258 9.187 1.00 0.52 O ATOM 727 CB LEU A 47 -2.031 5.569 6.304 1.00 0.51 C ATOM 728 CG LEU A 47 -1.678 6.917 6.949 1.00 0.50 C ATOM 729 CD1 LEU A 47 -0.563 7.602 6.178 1.00 0.56 C ATOM 730 CD2 LEU A 47 -2.902 7.816 7.038 1.00 0.47 C ATOM 0 H LEU A 47 -4.441 5.681 5.909 1.00 0.44 H new ATOM 0 HA LEU A 47 -2.742 3.646 6.948 1.00 0.49 H new ATOM 0 HB2 LEU A 47 -1.110 5.005 6.159 1.00 0.51 H new ATOM 0 HB3 LEU A 47 -2.448 5.759 5.315 1.00 0.51 H new ATOM 0 HG LEU A 47 -1.328 6.726 7.963 1.00 0.50 H new ATOM 0 HD11 LEU A 47 -0.327 8.556 6.650 1.00 0.56 H new ATOM 0 HD12 LEU A 47 0.323 6.967 6.179 1.00 0.56 H new ATOM 0 HD13 LEU A 47 -0.884 7.775 5.151 1.00 0.56 H new ATOM 0 HD21 LEU A 47 -2.624 8.764 7.499 1.00 0.47 H new ATOM 0 HD22 LEU A 47 -3.292 7.999 6.037 1.00 0.47 H new ATOM 0 HD23 LEU A 47 -3.668 7.330 7.642 1.00 0.47 H new ATOM 742 N PRO A 48 -1.783 5.006 9.237 1.00 0.58 N ATOM 743 CA PRO A 48 -1.615 5.326 10.655 1.00 0.63 C ATOM 744 C PRO A 48 -2.690 6.274 11.190 1.00 0.59 C ATOM 745 O PRO A 48 -3.144 6.125 12.323 1.00 0.63 O ATOM 746 CB PRO A 48 -0.239 6.007 10.676 1.00 0.70 C ATOM 747 CG PRO A 48 0.423 5.650 9.370 1.00 0.79 C ATOM 748 CD PRO A 48 -0.481 4.671 8.671 1.00 0.63 C ATOM 0 HA PRO A 48 -1.697 4.443 11.288 1.00 0.63 H new ATOM 0 HB2 PRO A 48 -0.340 7.087 10.779 1.00 0.70 H new ATOM 0 HB3 PRO A 48 0.355 5.660 11.522 1.00 0.70 H new ATOM 0 HG2 PRO A 48 0.574 6.540 8.759 1.00 0.79 H new ATOM 0 HG3 PRO A 48 1.406 5.211 9.543 1.00 0.79 H new ATOM 0 HD2 PRO A 48 -0.461 4.798 7.589 1.00 0.63 H new ATOM 0 HD3 PRO A 48 -0.200 3.638 8.876 1.00 0.63 H new ATOM 756 N ASP A 49 -3.067 7.261 10.375 1.00 0.53 N ATOM 757 CA ASP A 49 -4.111 8.218 10.739 1.00 0.51 C ATOM 758 C ASP A 49 -5.257 7.508 11.456 1.00 0.53 C ATOM 759 O ASP A 49 -5.713 7.955 12.511 1.00 0.59 O ATOM 760 CB ASP A 49 -4.648 8.919 9.486 1.00 0.48 C ATOM 761 CG ASP A 49 -5.919 9.709 9.748 1.00 0.50 C ATOM 762 OD1 ASP A 49 -5.817 10.824 10.307 1.00 0.57 O ATOM 763 OD2 ASP A 49 -7.019 9.226 9.391 1.00 0.50 O ATOM 0 H ASP A 49 -2.661 7.418 9.453 1.00 0.53 H new ATOM 0 HA ASP A 49 -3.677 8.961 11.408 1.00 0.51 H new ATOM 0 HB2 ASP A 49 -3.883 9.590 9.096 1.00 0.48 H new ATOM 0 HB3 ASP A 49 -4.842 8.174 8.714 1.00 0.48 H new ATOM 768 N LYS A 50 -5.710 6.404 10.853 1.00 0.51 N ATOM 769 CA LYS A 50 -6.795 5.577 11.387 1.00 0.56 C ATOM 770 C LYS A 50 -7.913 6.406 12.028 1.00 0.58 C ATOM 771 O LYS A 50 -8.596 5.937 12.938 1.00 0.65 O ATOM 772 CB LYS A 50 -6.236 4.580 12.408 1.00 0.65 C ATOM 773 CG LYS A 50 -5.156 3.662 11.849 1.00 0.84 C ATOM 774 CD LYS A 50 -5.686 2.769 10.733 1.00 1.04 C ATOM 775 CE LYS A 50 -6.756 1.807 11.231 1.00 1.27 C ATOM 776 NZ LYS A 50 -6.322 1.044 12.437 1.00 1.47 N ATOM 0 H LYS A 50 -5.330 6.057 9.972 1.00 0.51 H new ATOM 0 HA LYS A 50 -7.235 5.044 10.544 1.00 0.56 H new ATOM 0 HB2 LYS A 50 -5.827 5.132 13.254 1.00 0.65 H new ATOM 0 HB3 LYS A 50 -7.054 3.970 12.791 1.00 0.65 H new ATOM 0 HG2 LYS A 50 -4.330 4.263 11.470 1.00 0.84 H new ATOM 0 HG3 LYS A 50 -4.757 3.041 12.651 1.00 0.84 H new ATOM 0 HD2 LYS A 50 -6.098 3.389 9.937 1.00 1.04 H new ATOM 0 HD3 LYS A 50 -4.862 2.202 10.300 1.00 1.04 H new ATOM 0 HE2 LYS A 50 -7.662 2.366 11.465 1.00 1.27 H new ATOM 0 HE3 LYS A 50 -7.010 1.108 10.435 1.00 1.27 H new ATOM 0 HZ1 LYS A 50 -6.981 0.257 12.606 1.00 1.47 H new ATOM 0 HZ2 LYS A 50 -5.365 0.667 12.284 1.00 1.47 H new ATOM 0 HZ3 LYS A 50 -6.317 1.675 13.264 1.00 1.47 H new ATOM 790 N LYS A 51 -8.127 7.619 11.531 1.00 0.55 N ATOM 791 CA LYS A 51 -9.153 8.493 12.077 1.00 0.60 C ATOM 792 C LYS A 51 -10.430 8.383 11.254 1.00 0.58 C ATOM 793 O LYS A 51 -10.942 9.385 10.745 1.00 0.60 O ATOM 794 CB LYS A 51 -8.645 9.938 12.097 1.00 0.64 C ATOM 795 CG LYS A 51 -8.531 10.525 13.490 1.00 0.84 C ATOM 796 CD LYS A 51 -7.718 11.806 13.480 1.00 0.83 C ATOM 797 CE LYS A 51 -6.265 11.554 13.856 1.00 0.91 C ATOM 798 NZ LYS A 51 -5.608 10.556 12.967 1.00 1.26 N ATOM 0 H LYS A 51 -7.603 8.017 10.752 1.00 0.55 H new ATOM 0 HA LYS A 51 -9.378 8.187 13.099 1.00 0.60 H new ATOM 0 HB2 LYS A 51 -7.668 9.977 11.615 1.00 0.64 H new ATOM 0 HB3 LYS A 51 -9.318 10.558 11.505 1.00 0.64 H new ATOM 0 HG2 LYS A 51 -9.527 10.726 13.886 1.00 0.84 H new ATOM 0 HG3 LYS A 51 -8.064 9.800 14.156 1.00 0.84 H new ATOM 0 HD2 LYS A 51 -7.764 12.259 12.489 1.00 0.83 H new ATOM 0 HD3 LYS A 51 -8.156 12.520 14.177 1.00 0.83 H new ATOM 0 HE2 LYS A 51 -5.714 12.493 13.811 1.00 0.91 H new ATOM 0 HE3 LYS A 51 -6.216 11.204 14.887 1.00 0.91 H new ATOM 0 HZ1 LYS A 51 -4.600 10.484 13.212 1.00 1.26 H new ATOM 0 HZ2 LYS A 51 -6.062 9.629 13.091 1.00 1.26 H new ATOM 0 HZ3 LYS A 51 -5.703 10.858 11.976 1.00 1.26 H new ATOM 812 N LYS A 52 -10.912 7.159 11.089 1.00 0.57 N ATOM 813 CA LYS A 52 -12.121 6.896 10.319 1.00 0.59 C ATOM 814 C LYS A 52 -12.300 5.400 10.103 1.00 0.62 C ATOM 815 O LYS A 52 -11.406 4.730 9.586 1.00 0.76 O ATOM 816 CB LYS A 52 -12.081 7.617 8.963 1.00 0.57 C ATOM 817 CG LYS A 52 -10.761 7.463 8.217 1.00 0.53 C ATOM 818 CD LYS A 52 -10.637 8.471 7.082 1.00 0.55 C ATOM 819 CE LYS A 52 -10.592 9.906 7.591 1.00 0.57 C ATOM 820 NZ LYS A 52 -9.522 10.127 8.604 1.00 0.53 N ATOM 0 H LYS A 52 -10.479 6.324 11.483 1.00 0.57 H new ATOM 0 HA LYS A 52 -12.968 7.278 10.889 1.00 0.59 H new ATOM 0 HB2 LYS A 52 -12.887 7.235 8.336 1.00 0.57 H new ATOM 0 HB3 LYS A 52 -12.275 8.678 9.121 1.00 0.57 H new ATOM 0 HG2 LYS A 52 -9.932 7.594 8.913 1.00 0.53 H new ATOM 0 HG3 LYS A 52 -10.685 6.452 7.816 1.00 0.53 H new ATOM 0 HD2 LYS A 52 -9.734 8.262 6.509 1.00 0.55 H new ATOM 0 HD3 LYS A 52 -11.480 8.355 6.401 1.00 0.55 H new ATOM 0 HE2 LYS A 52 -10.434 10.580 6.749 1.00 0.57 H new ATOM 0 HE3 LYS A 52 -11.557 10.162 8.027 1.00 0.57 H new ATOM 0 HZ1 LYS A 52 -9.413 11.147 8.777 1.00 0.53 H new ATOM 0 HZ2 LYS A 52 -9.781 9.651 9.492 1.00 0.53 H new ATOM 0 HZ3 LYS A 52 -8.624 9.738 8.251 1.00 0.53 H new ATOM 834 N LYS A 53 -13.445 4.886 10.523 1.00 0.62 N ATOM 835 CA LYS A 53 -13.761 3.474 10.368 1.00 0.66 C ATOM 836 C LYS A 53 -15.233 3.328 10.006 1.00 0.68 C ATOM 837 O LYS A 53 -16.106 3.366 10.877 1.00 0.87 O ATOM 838 CB LYS A 53 -13.435 2.703 11.651 1.00 0.74 C ATOM 839 CG LYS A 53 -13.381 1.195 11.461 1.00 0.81 C ATOM 840 CD LYS A 53 -12.920 0.481 12.726 1.00 0.93 C ATOM 841 CE LYS A 53 -13.936 0.617 13.854 1.00 1.07 C ATOM 842 NZ LYS A 53 -13.536 1.649 14.853 1.00 1.30 N ATOM 0 H LYS A 53 -14.177 5.431 10.978 1.00 0.62 H new ATOM 0 HA LYS A 53 -13.153 3.053 9.567 1.00 0.66 H new ATOM 0 HB2 LYS A 53 -12.475 3.046 12.037 1.00 0.74 H new ATOM 0 HB3 LYS A 53 -14.185 2.939 12.406 1.00 0.74 H new ATOM 0 HG2 LYS A 53 -14.367 0.829 11.176 1.00 0.81 H new ATOM 0 HG3 LYS A 53 -12.703 0.956 10.641 1.00 0.81 H new ATOM 0 HD2 LYS A 53 -12.757 -0.575 12.509 1.00 0.93 H new ATOM 0 HD3 LYS A 53 -11.963 0.892 13.047 1.00 0.93 H new ATOM 0 HE2 LYS A 53 -14.908 0.877 13.435 1.00 1.07 H new ATOM 0 HE3 LYS A 53 -14.051 -0.345 14.354 1.00 1.07 H new ATOM 0 HZ1 LYS A 53 -14.288 1.754 15.564 1.00 1.30 H new ATOM 0 HZ2 LYS A 53 -12.655 1.355 15.322 1.00 1.30 H new ATOM 0 HZ3 LYS A 53 -13.385 2.558 14.371 1.00 1.30 H new ATOM 856 N PHE A 54 -15.499 3.195 8.714 1.00 0.64 N ATOM 857 CA PHE A 54 -16.862 3.072 8.217 1.00 0.66 C ATOM 858 C PHE A 54 -17.022 1.818 7.362 1.00 0.66 C ATOM 859 O PHE A 54 -16.186 1.522 6.503 1.00 0.66 O ATOM 860 CB PHE A 54 -17.237 4.320 7.412 1.00 0.69 C ATOM 861 CG PHE A 54 -18.540 4.204 6.665 1.00 0.74 C ATOM 862 CD1 PHE A 54 -19.751 4.266 7.340 1.00 0.94 C ATOM 863 CD2 PHE A 54 -18.553 4.035 5.289 1.00 0.78 C ATOM 864 CE1 PHE A 54 -20.948 4.162 6.655 1.00 1.05 C ATOM 865 CE2 PHE A 54 -19.748 3.931 4.602 1.00 0.89 C ATOM 866 CZ PHE A 54 -20.945 3.994 5.285 1.00 0.98 C ATOM 0 H PHE A 54 -14.784 3.169 7.987 1.00 0.64 H new ATOM 0 HA PHE A 54 -17.534 2.983 9.070 1.00 0.66 H new ATOM 0 HB2 PHE A 54 -17.294 5.172 8.089 1.00 0.69 H new ATOM 0 HB3 PHE A 54 -16.440 4.532 6.699 1.00 0.69 H new ATOM 0 HD1 PHE A 54 -19.759 4.397 8.412 1.00 0.94 H new ATOM 0 HD2 PHE A 54 -17.620 3.984 4.748 1.00 0.78 H new ATOM 0 HE1 PHE A 54 -21.884 4.212 7.191 1.00 1.05 H new ATOM 0 HE2 PHE A 54 -19.745 3.800 3.530 1.00 0.89 H new ATOM 0 HZ PHE A 54 -21.879 3.912 4.748 1.00 0.98 H new ATOM 876 N GLU A 55 -18.101 1.090 7.602 1.00 0.70 N ATOM 877 CA GLU A 55 -18.388 -0.132 6.870 1.00 0.72 C ATOM 878 C GLU A 55 -19.648 0.049 6.026 1.00 0.74 C ATOM 879 O GLU A 55 -20.610 0.681 6.469 1.00 0.81 O ATOM 880 CB GLU A 55 -18.559 -1.295 7.853 1.00 0.77 C ATOM 881 CG GLU A 55 -18.434 -2.662 7.211 1.00 0.84 C ATOM 882 CD GLU A 55 -18.461 -3.787 8.228 1.00 0.93 C ATOM 883 OE1 GLU A 55 -19.563 -4.148 8.689 1.00 1.11 O ATOM 884 OE2 GLU A 55 -17.377 -4.313 8.568 1.00 0.97 O ATOM 0 H GLU A 55 -18.799 1.329 8.306 1.00 0.70 H new ATOM 0 HA GLU A 55 -17.556 -0.358 6.203 1.00 0.72 H new ATOM 0 HB2 GLU A 55 -17.812 -1.205 8.642 1.00 0.77 H new ATOM 0 HB3 GLU A 55 -19.536 -1.215 8.329 1.00 0.77 H new ATOM 0 HG2 GLU A 55 -19.247 -2.801 6.499 1.00 0.84 H new ATOM 0 HG3 GLU A 55 -17.503 -2.710 6.645 1.00 0.84 H new ATOM 891 N THR A 56 -19.635 -0.483 4.812 1.00 0.72 N ATOM 892 CA THR A 56 -20.787 -0.373 3.925 1.00 0.75 C ATOM 893 C THR A 56 -21.792 -1.485 4.210 1.00 0.80 C ATOM 894 O THR A 56 -21.475 -2.455 4.909 1.00 0.81 O ATOM 895 CB THR A 56 -20.373 -0.420 2.440 1.00 0.75 C ATOM 896 OG1 THR A 56 -19.438 -1.481 2.218 1.00 0.73 O ATOM 897 CG2 THR A 56 -19.756 0.902 2.006 1.00 0.75 C ATOM 0 H THR A 56 -18.844 -0.993 4.419 1.00 0.72 H new ATOM 0 HA THR A 56 -21.250 0.594 4.119 1.00 0.75 H new ATOM 0 HB THR A 56 -21.270 -0.599 1.847 1.00 0.75 H new ATOM 0 HG1 THR A 56 -18.530 -1.161 2.403 1.00 0.73 H new ATOM 0 HG21 THR A 56 -19.472 0.844 0.955 1.00 0.75 H new ATOM 0 HG22 THR A 56 -20.481 1.704 2.142 1.00 0.75 H new ATOM 0 HG23 THR A 56 -18.872 1.106 2.610 1.00 0.75 H new ATOM 905 N LYS A 57 -22.997 -1.344 3.676 1.00 0.86 N ATOM 906 CA LYS A 57 -24.039 -2.338 3.878 1.00 0.91 C ATOM 907 C LYS A 57 -23.707 -3.627 3.124 1.00 0.91 C ATOM 908 O LYS A 57 -23.342 -3.594 1.946 1.00 0.92 O ATOM 909 CB LYS A 57 -25.397 -1.795 3.430 1.00 0.97 C ATOM 910 CG LYS A 57 -26.558 -2.700 3.800 1.00 1.05 C ATOM 911 CD LYS A 57 -27.887 -2.128 3.336 1.00 1.15 C ATOM 912 CE LYS A 57 -29.040 -3.067 3.657 1.00 1.29 C ATOM 913 NZ LYS A 57 -28.752 -4.467 3.244 1.00 1.43 N ATOM 0 H LYS A 57 -23.276 -0.550 3.100 1.00 0.86 H new ATOM 0 HA LYS A 57 -24.092 -2.564 4.943 1.00 0.91 H new ATOM 0 HB2 LYS A 57 -25.554 -0.814 3.878 1.00 0.97 H new ATOM 0 HB3 LYS A 57 -25.385 -1.654 2.349 1.00 0.97 H new ATOM 0 HG2 LYS A 57 -26.409 -3.683 3.354 1.00 1.05 H new ATOM 0 HG3 LYS A 57 -26.580 -2.840 4.881 1.00 1.05 H new ATOM 0 HD2 LYS A 57 -28.057 -1.164 3.816 1.00 1.15 H new ATOM 0 HD3 LYS A 57 -27.852 -1.948 2.262 1.00 1.15 H new ATOM 0 HE2 LYS A 57 -29.242 -3.039 4.728 1.00 1.29 H new ATOM 0 HE3 LYS A 57 -29.942 -2.719 3.153 1.00 1.29 H new ATOM 0 HZ1 LYS A 57 -29.639 -5.008 3.209 1.00 1.43 H new ATOM 0 HZ2 LYS A 57 -28.309 -4.467 2.303 1.00 1.43 H new ATOM 0 HZ3 LYS A 57 -28.106 -4.906 3.931 1.00 1.43 H new ATOM 927 N VAL A 58 -23.831 -4.758 3.812 1.00 0.95 N ATOM 928 CA VAL A 58 -23.546 -6.058 3.216 1.00 0.97 C ATOM 929 C VAL A 58 -24.448 -6.315 2.009 1.00 0.99 C ATOM 930 O VAL A 58 -25.638 -5.979 2.023 1.00 1.09 O ATOM 931 CB VAL A 58 -23.708 -7.205 4.243 1.00 1.03 C ATOM 932 CG1 VAL A 58 -25.170 -7.388 4.631 1.00 1.07 C ATOM 933 CG2 VAL A 58 -23.127 -8.502 3.696 1.00 1.08 C ATOM 0 H VAL A 58 -24.128 -4.800 4.787 1.00 0.95 H new ATOM 0 HA VAL A 58 -22.507 -6.038 2.886 1.00 0.97 H new ATOM 0 HB VAL A 58 -23.154 -6.935 5.142 1.00 1.03 H new ATOM 0 HG11 VAL A 58 -25.256 -8.200 5.353 1.00 1.07 H new ATOM 0 HG12 VAL A 58 -25.547 -6.466 5.074 1.00 1.07 H new ATOM 0 HG13 VAL A 58 -25.755 -7.629 3.743 1.00 1.07 H new ATOM 0 HG21 VAL A 58 -23.251 -9.295 4.433 1.00 1.08 H new ATOM 0 HG22 VAL A 58 -23.647 -8.775 2.778 1.00 1.08 H new ATOM 0 HG23 VAL A 58 -22.066 -8.365 3.485 1.00 1.08 H new ATOM 943 N HIS A 59 -23.872 -6.900 0.965 1.00 1.00 N ATOM 944 CA HIS A 59 -24.610 -7.205 -0.255 1.00 1.04 C ATOM 945 C HIS A 59 -24.662 -8.713 -0.452 1.00 1.07 C ATOM 946 O HIS A 59 -23.746 -9.310 -1.014 1.00 1.09 O ATOM 947 CB HIS A 59 -23.965 -6.511 -1.458 1.00 1.05 C ATOM 948 CG HIS A 59 -23.665 -5.067 -1.208 1.00 1.03 C ATOM 949 ND1 HIS A 59 -22.393 -4.588 -0.997 1.00 0.99 N ATOM 950 CD2 HIS A 59 -24.489 -4.000 -1.111 1.00 1.06 C ATOM 951 CE1 HIS A 59 -22.446 -3.288 -0.777 1.00 0.99 C ATOM 952 NE2 HIS A 59 -23.710 -2.902 -0.840 1.00 1.04 N ATOM 0 H HIS A 59 -22.890 -7.174 0.940 1.00 1.00 H new ATOM 0 HA HIS A 59 -25.630 -6.830 -0.166 1.00 1.04 H new ATOM 0 HB2 HIS A 59 -23.041 -7.029 -1.717 1.00 1.05 H new ATOM 0 HB3 HIS A 59 -24.629 -6.595 -2.318 1.00 1.05 H new ATOM 0 HD1 HIS A 59 -21.542 -5.150 -1.009 1.00 0.99 H new ATOM 0 HD2 HIS A 59 -25.563 -4.009 -1.226 1.00 1.06 H new ATOM 0 HE1 HIS A 59 -21.600 -2.647 -0.579 1.00 0.99 H new ATOM 0 HE2 HIS A 59 -24.049 -1.949 -0.709 1.00 1.04 H new ATOM 961 N ARG A 60 -25.740 -9.314 0.033 1.00 1.11 N ATOM 962 CA ARG A 60 -25.931 -10.761 -0.028 1.00 1.16 C ATOM 963 C ARG A 60 -25.958 -11.311 -1.457 1.00 1.16 C ATOM 964 O ARG A 60 -26.787 -10.911 -2.274 1.00 1.21 O ATOM 965 CB ARG A 60 -27.225 -11.149 0.698 1.00 1.23 C ATOM 966 CG ARG A 60 -28.484 -10.550 0.084 1.00 1.27 C ATOM 967 CD ARG A 60 -29.262 -11.579 -0.720 1.00 1.33 C ATOM 968 NE ARG A 60 -29.987 -12.512 0.145 1.00 1.42 N ATOM 969 CZ ARG A 60 -31.151 -13.084 -0.171 1.00 1.71 C ATOM 970 NH1 ARG A 60 -31.700 -12.888 -1.368 1.00 1.93 N ATOM 971 NH2 ARG A 60 -31.761 -13.869 0.706 1.00 2.07 N ATOM 0 H ARG A 60 -26.508 -8.814 0.480 1.00 1.11 H new ATOM 0 HA ARG A 60 -25.068 -11.208 0.466 1.00 1.16 H new ATOM 0 HB2 ARG A 60 -27.316 -12.235 0.701 1.00 1.23 H new ATOM 0 HB3 ARG A 60 -27.155 -10.832 1.739 1.00 1.23 H new ATOM 0 HG2 ARG A 60 -29.119 -10.150 0.874 1.00 1.27 H new ATOM 0 HG3 ARG A 60 -28.212 -9.714 -0.561 1.00 1.27 H new ATOM 0 HD2 ARG A 60 -29.967 -11.069 -1.376 1.00 1.33 H new ATOM 0 HD3 ARG A 60 -28.576 -12.135 -1.359 1.00 1.33 H new ATOM 0 HE ARG A 60 -29.575 -12.740 1.050 1.00 1.42 H new ATOM 0 HH11 ARG A 60 -31.231 -12.296 -2.054 1.00 1.93 H new ATOM 0 HH12 ARG A 60 -32.590 -13.330 -1.599 1.00 1.93 H new ATOM 0 HH21 ARG A 60 -31.341 -14.035 1.621 1.00 2.07 H new ATOM 0 HH22 ARG A 60 -32.650 -14.307 0.466 1.00 2.07 H new ATOM 985 N LYS A 61 -25.042 -12.238 -1.729 1.00 1.15 N ATOM 986 CA LYS A 61 -24.946 -12.919 -3.021 1.00 1.19 C ATOM 987 C LYS A 61 -24.916 -11.952 -4.208 1.00 1.18 C ATOM 988 O LYS A 61 -25.913 -11.797 -4.922 1.00 1.23 O ATOM 989 CB LYS A 61 -26.112 -13.906 -3.184 1.00 1.28 C ATOM 990 CG LYS A 61 -26.501 -14.626 -1.898 1.00 1.30 C ATOM 991 CD LYS A 61 -25.314 -15.349 -1.277 1.00 1.27 C ATOM 992 CE LYS A 61 -25.486 -15.509 0.225 1.00 1.27 C ATOM 993 NZ LYS A 61 -24.206 -15.300 0.948 1.00 1.24 N ATOM 0 H LYS A 61 -24.339 -12.541 -1.055 1.00 1.15 H new ATOM 0 HA LYS A 61 -23.997 -13.455 -3.023 1.00 1.19 H new ATOM 0 HB2 LYS A 61 -26.980 -13.367 -3.563 1.00 1.28 H new ATOM 0 HB3 LYS A 61 -25.844 -14.648 -3.936 1.00 1.28 H new ATOM 0 HG2 LYS A 61 -26.902 -13.906 -1.185 1.00 1.30 H new ATOM 0 HG3 LYS A 61 -27.295 -15.343 -2.108 1.00 1.30 H new ATOM 0 HD2 LYS A 61 -25.202 -16.330 -1.738 1.00 1.27 H new ATOM 0 HD3 LYS A 61 -24.399 -14.793 -1.483 1.00 1.27 H new ATOM 0 HE2 LYS A 61 -26.228 -14.796 0.585 1.00 1.27 H new ATOM 0 HE3 LYS A 61 -25.869 -16.506 0.444 1.00 1.27 H new ATOM 0 HZ1 LYS A 61 -24.403 -14.981 1.918 1.00 1.24 H new ATOM 0 HZ2 LYS A 61 -23.675 -16.194 0.979 1.00 1.24 H new ATOM 0 HZ3 LYS A 61 -23.642 -14.579 0.454 1.00 1.24 H new ATOM 1007 N THR A 62 -23.775 -11.311 -4.427 1.00 1.14 N ATOM 1008 CA THR A 62 -23.630 -10.394 -5.549 1.00 1.14 C ATOM 1009 C THR A 62 -22.161 -10.064 -5.811 1.00 1.11 C ATOM 1010 O THR A 62 -21.395 -9.818 -4.879 1.00 1.09 O ATOM 1011 CB THR A 62 -24.428 -9.089 -5.326 1.00 1.13 C ATOM 1012 OG1 THR A 62 -24.211 -8.182 -6.418 1.00 1.15 O ATOM 1013 CG2 THR A 62 -24.034 -8.417 -4.017 1.00 1.10 C ATOM 0 H THR A 62 -22.942 -11.408 -3.847 1.00 1.14 H new ATOM 0 HA THR A 62 -24.037 -10.901 -6.424 1.00 1.14 H new ATOM 0 HB THR A 62 -25.485 -9.350 -5.274 1.00 1.13 H new ATOM 0 HG1 THR A 62 -24.839 -7.433 -6.351 1.00 1.15 H new ATOM 0 HG21 THR A 62 -24.613 -7.502 -3.889 1.00 1.10 H new ATOM 0 HG22 THR A 62 -24.235 -9.093 -3.186 1.00 1.10 H new ATOM 0 HG23 THR A 62 -22.972 -8.174 -4.038 1.00 1.10 H new ATOM 1021 N LEU A 63 -21.773 -10.086 -7.084 1.00 1.14 N ATOM 1022 CA LEU A 63 -20.405 -9.774 -7.483 1.00 1.12 C ATOM 1023 C LEU A 63 -20.356 -8.466 -8.282 1.00 1.11 C ATOM 1024 O LEU A 63 -19.332 -8.126 -8.881 1.00 1.11 O ATOM 1025 CB LEU A 63 -19.819 -10.924 -8.306 1.00 1.19 C ATOM 1026 CG LEU A 63 -19.800 -12.283 -7.594 1.00 1.23 C ATOM 1027 CD1 LEU A 63 -19.134 -13.340 -8.459 1.00 1.29 C ATOM 1028 CD2 LEU A 63 -19.097 -12.182 -6.246 1.00 1.19 C ATOM 0 H LEU A 63 -22.392 -10.318 -7.861 1.00 1.14 H new ATOM 0 HA LEU A 63 -19.805 -9.645 -6.582 1.00 1.12 H new ATOM 0 HB2 LEU A 63 -20.393 -11.021 -9.228 1.00 1.19 H new ATOM 0 HB3 LEU A 63 -18.799 -10.665 -8.591 1.00 1.19 H new ATOM 0 HG LEU A 63 -20.834 -12.582 -7.421 1.00 1.23 H new ATOM 0 HD11 LEU A 63 -19.133 -14.294 -7.932 1.00 1.29 H new ATOM 0 HD12 LEU A 63 -19.683 -13.443 -9.395 1.00 1.29 H new ATOM 0 HD13 LEU A 63 -18.107 -13.042 -8.672 1.00 1.29 H new ATOM 0 HD21 LEU A 63 -19.097 -13.158 -5.762 1.00 1.19 H new ATOM 0 HD22 LEU A 63 -18.069 -11.851 -6.396 1.00 1.19 H new ATOM 0 HD23 LEU A 63 -19.621 -11.464 -5.615 1.00 1.19 H new ATOM 1040 N ASN A 64 -21.475 -7.740 -8.285 1.00 1.11 N ATOM 1041 CA ASN A 64 -21.584 -6.462 -8.981 1.00 1.12 C ATOM 1042 C ASN A 64 -22.703 -5.643 -8.339 1.00 1.12 C ATOM 1043 O ASN A 64 -23.681 -5.277 -8.992 1.00 1.18 O ATOM 1044 CB ASN A 64 -21.853 -6.677 -10.478 1.00 1.20 C ATOM 1045 CG ASN A 64 -21.995 -5.374 -11.250 1.00 1.36 C ATOM 1046 OD1 ASN A 64 -21.007 -4.703 -11.542 1.00 1.60 O ATOM 1047 ND2 ASN A 64 -23.218 -5.012 -11.602 1.00 1.48 N ATOM 0 H ASN A 64 -22.329 -8.023 -7.805 1.00 1.11 H new ATOM 0 HA ASN A 64 -20.643 -5.920 -8.893 1.00 1.12 H new ATOM 0 HB2 ASN A 64 -21.039 -7.260 -10.908 1.00 1.20 H new ATOM 0 HB3 ASN A 64 -22.763 -7.264 -10.597 1.00 1.20 H new ATOM 0 HD21 ASN A 64 -23.363 -4.153 -12.132 1.00 1.48 H new ATOM 0 HD22 ASN A 64 -24.016 -5.592 -11.343 1.00 1.48 H new ATOM 1054 N PRO A 65 -22.593 -5.377 -7.026 1.00 1.09 N ATOM 1055 CA PRO A 65 -23.596 -4.631 -6.287 1.00 1.12 C ATOM 1056 C PRO A 65 -23.340 -3.127 -6.274 1.00 1.07 C ATOM 1057 O PRO A 65 -22.215 -2.676 -6.031 1.00 1.06 O ATOM 1058 CB PRO A 65 -23.458 -5.207 -4.880 1.00 1.17 C ATOM 1059 CG PRO A 65 -22.007 -5.552 -4.749 1.00 1.12 C ATOM 1060 CD PRO A 65 -21.479 -5.789 -6.148 1.00 1.08 C ATOM 0 HA PRO A 65 -24.588 -4.730 -6.727 1.00 1.12 H new ATOM 0 HB2 PRO A 65 -23.762 -4.483 -4.124 1.00 1.17 H new ATOM 0 HB3 PRO A 65 -24.087 -6.087 -4.749 1.00 1.17 H new ATOM 0 HG2 PRO A 65 -21.461 -4.744 -4.263 1.00 1.12 H new ATOM 0 HG3 PRO A 65 -21.876 -6.441 -4.132 1.00 1.12 H new ATOM 0 HD2 PRO A 65 -20.581 -5.202 -6.340 1.00 1.08 H new ATOM 0 HD3 PRO A 65 -21.215 -6.835 -6.303 1.00 1.08 H new ATOM 1068 N VAL A 66 -24.390 -2.361 -6.536 1.00 1.08 N ATOM 1069 CA VAL A 66 -24.306 -0.909 -6.528 1.00 1.06 C ATOM 1070 C VAL A 66 -24.854 -0.395 -5.202 1.00 1.05 C ATOM 1071 O VAL A 66 -25.568 -1.128 -4.511 1.00 1.11 O ATOM 1072 CB VAL A 66 -25.095 -0.275 -7.702 1.00 1.16 C ATOM 1073 CG1 VAL A 66 -24.777 -0.981 -9.015 1.00 1.19 C ATOM 1074 CG2 VAL A 66 -26.593 -0.295 -7.425 1.00 1.26 C ATOM 0 H VAL A 66 -25.316 -2.726 -6.758 1.00 1.08 H new ATOM 0 HA VAL A 66 -23.261 -0.625 -6.649 1.00 1.06 H new ATOM 0 HB VAL A 66 -24.783 0.765 -7.793 1.00 1.16 H new ATOM 0 HG11 VAL A 66 -25.343 -0.518 -9.823 1.00 1.19 H new ATOM 0 HG12 VAL A 66 -23.711 -0.897 -9.224 1.00 1.19 H new ATOM 0 HG13 VAL A 66 -25.050 -2.033 -8.938 1.00 1.19 H new ATOM 0 HG21 VAL A 66 -27.124 0.155 -8.264 1.00 1.26 H new ATOM 0 HG22 VAL A 66 -26.925 -1.325 -7.296 1.00 1.26 H new ATOM 0 HG23 VAL A 66 -26.803 0.270 -6.517 1.00 1.26 H new ATOM 1084 N PHE A 67 -24.518 0.834 -4.832 1.00 1.05 N ATOM 1085 CA PHE A 67 -25.012 1.388 -3.573 1.00 1.05 C ATOM 1086 C PHE A 67 -24.745 2.888 -3.457 1.00 1.04 C ATOM 1087 O PHE A 67 -25.636 3.656 -3.086 1.00 1.10 O ATOM 1088 CB PHE A 67 -24.374 0.659 -2.386 1.00 1.01 C ATOM 1089 CG PHE A 67 -25.133 0.819 -1.098 1.00 1.08 C ATOM 1090 CD1 PHE A 67 -25.034 1.986 -0.360 1.00 1.22 C ATOM 1091 CD2 PHE A 67 -25.949 -0.199 -0.629 1.00 1.15 C ATOM 1092 CE1 PHE A 67 -25.730 2.134 0.822 1.00 1.36 C ATOM 1093 CE2 PHE A 67 -26.647 -0.055 0.554 1.00 1.27 C ATOM 1094 CZ PHE A 67 -26.537 1.113 1.280 1.00 1.35 C ATOM 0 H PHE A 67 -23.918 1.458 -5.372 1.00 1.05 H new ATOM 0 HA PHE A 67 -26.092 1.241 -3.560 1.00 1.05 H new ATOM 0 HB2 PHE A 67 -24.297 -0.402 -2.622 1.00 1.01 H new ATOM 0 HB3 PHE A 67 -23.358 1.029 -2.247 1.00 1.01 H new ATOM 0 HD1 PHE A 67 -24.405 2.790 -0.713 1.00 1.22 H new ATOM 0 HD2 PHE A 67 -26.040 -1.114 -1.195 1.00 1.15 H new ATOM 0 HE1 PHE A 67 -25.643 3.049 1.389 1.00 1.36 H new ATOM 0 HE2 PHE A 67 -27.278 -0.856 0.910 1.00 1.27 H new ATOM 0 HZ PHE A 67 -27.082 1.228 2.205 1.00 1.35 H new ATOM 1104 N ASN A 68 -23.522 3.303 -3.776 1.00 0.99 N ATOM 1105 CA ASN A 68 -23.133 4.709 -3.679 1.00 0.99 C ATOM 1106 C ASN A 68 -23.080 5.139 -2.213 1.00 0.96 C ATOM 1107 O ASN A 68 -23.450 6.263 -1.865 1.00 1.05 O ATOM 1108 CB ASN A 68 -24.098 5.607 -4.463 1.00 1.08 C ATOM 1109 CG ASN A 68 -23.442 6.900 -4.913 1.00 1.14 C ATOM 1110 OD1 ASN A 68 -22.948 6.998 -6.038 1.00 1.22 O ATOM 1111 ND2 ASN A 68 -23.418 7.893 -4.037 1.00 1.19 N ATOM 0 H ASN A 68 -22.781 2.684 -4.105 1.00 0.99 H new ATOM 0 HA ASN A 68 -22.142 4.818 -4.118 1.00 0.99 H new ATOM 0 HB2 ASN A 68 -24.467 5.067 -5.335 1.00 1.08 H new ATOM 0 HB3 ASN A 68 -24.963 5.838 -3.841 1.00 1.08 H new ATOM 0 HD21 ASN A 68 -22.979 8.780 -4.284 1.00 1.19 H new ATOM 0 HD22 ASN A 68 -23.839 7.771 -3.116 1.00 1.19 H new ATOM 1118 N GLU A 69 -22.611 4.229 -1.359 1.00 0.89 N ATOM 1119 CA GLU A 69 -22.502 4.495 0.072 1.00 0.87 C ATOM 1120 C GLU A 69 -21.542 5.658 0.319 1.00 0.84 C ATOM 1121 O GLU A 69 -20.557 5.830 -0.406 1.00 0.92 O ATOM 1122 CB GLU A 69 -22.038 3.232 0.811 1.00 0.90 C ATOM 1123 CG GLU A 69 -22.314 3.254 2.309 1.00 1.56 C ATOM 1124 CD GLU A 69 -23.216 2.115 2.768 1.00 1.59 C ATOM 1125 OE1 GLU A 69 -23.016 0.965 2.324 1.00 1.85 O ATOM 1126 OE2 GLU A 69 -24.121 2.369 3.592 1.00 1.89 O ATOM 0 H GLU A 69 -22.300 3.298 -1.637 1.00 0.89 H new ATOM 0 HA GLU A 69 -23.482 4.774 0.458 1.00 0.87 H new ATOM 0 HB2 GLU A 69 -22.533 2.365 0.373 1.00 0.90 H new ATOM 0 HB3 GLU A 69 -20.968 3.102 0.651 1.00 0.90 H new ATOM 0 HG2 GLU A 69 -21.368 3.200 2.847 1.00 1.56 H new ATOM 0 HG3 GLU A 69 -22.777 4.205 2.573 1.00 1.56 H new ATOM 1133 N GLN A 70 -21.838 6.454 1.338 1.00 0.84 N ATOM 1134 CA GLN A 70 -21.026 7.619 1.667 1.00 0.83 C ATOM 1135 C GLN A 70 -19.989 7.306 2.748 1.00 0.77 C ATOM 1136 O GLN A 70 -20.339 7.002 3.889 1.00 0.85 O ATOM 1137 CB GLN A 70 -21.938 8.764 2.126 1.00 0.93 C ATOM 1138 CG GLN A 70 -21.330 10.151 1.977 1.00 0.97 C ATOM 1139 CD GLN A 70 -20.025 10.314 2.731 1.00 1.19 C ATOM 1140 OE1 GLN A 70 -18.910 10.131 2.042 1.00 1.55 O flip ATOM 1141 NE2 GLN A 70 -20.019 10.607 3.925 1.00 1.52 N flip ATOM 0 H GLN A 70 -22.639 6.313 1.954 1.00 0.84 H new ATOM 0 HA GLN A 70 -20.481 7.915 0.770 1.00 0.83 H new ATOM 0 HB2 GLN A 70 -22.866 8.724 1.555 1.00 0.93 H new ATOM 0 HB3 GLN A 70 -22.200 8.606 3.172 1.00 0.93 H new ATOM 0 HG2 GLN A 70 -21.159 10.354 0.920 1.00 0.97 H new ATOM 0 HG3 GLN A 70 -22.044 10.894 2.333 1.00 0.97 H new ATOM 0 HE21 GLN A 70 -20.900 10.740 4.422 1.00 1.52 H new ATOM 0 HE22 GLN A 70 -19.133 10.717 4.419 1.00 1.52 H new ATOM 1150 N PHE A 71 -18.714 7.369 2.374 1.00 0.66 N ATOM 1151 CA PHE A 71 -17.623 7.134 3.312 1.00 0.61 C ATOM 1152 C PHE A 71 -17.184 8.462 3.927 1.00 0.61 C ATOM 1153 O PHE A 71 -16.692 9.350 3.221 1.00 0.63 O ATOM 1154 CB PHE A 71 -16.442 6.448 2.607 1.00 0.60 C ATOM 1155 CG PHE A 71 -15.108 6.613 3.296 1.00 0.58 C ATOM 1156 CD1 PHE A 71 -15.018 6.694 4.678 1.00 0.60 C ATOM 1157 CD2 PHE A 71 -13.943 6.686 2.551 1.00 0.58 C ATOM 1158 CE1 PHE A 71 -13.793 6.842 5.299 1.00 0.61 C ATOM 1159 CE2 PHE A 71 -12.716 6.833 3.166 1.00 0.59 C ATOM 1160 CZ PHE A 71 -12.641 6.912 4.543 1.00 0.60 C ATOM 0 H PHE A 71 -18.411 7.582 1.423 1.00 0.66 H new ATOM 0 HA PHE A 71 -17.971 6.472 4.105 1.00 0.61 H new ATOM 0 HB2 PHE A 71 -16.659 5.384 2.518 1.00 0.60 H new ATOM 0 HB3 PHE A 71 -16.363 6.843 1.594 1.00 0.60 H new ATOM 0 HD1 PHE A 71 -15.916 6.641 5.275 1.00 0.60 H new ATOM 0 HD2 PHE A 71 -13.995 6.627 1.474 1.00 0.58 H new ATOM 0 HE1 PHE A 71 -13.737 6.903 6.376 1.00 0.61 H new ATOM 0 HE2 PHE A 71 -11.816 6.886 2.571 1.00 0.59 H new ATOM 0 HZ PHE A 71 -11.683 7.028 5.027 1.00 0.60 H new ATOM 1170 N THR A 72 -17.381 8.602 5.231 1.00 0.62 N ATOM 1171 CA THR A 72 -17.014 9.822 5.940 1.00 0.64 C ATOM 1172 C THR A 72 -15.500 9.912 6.163 1.00 0.58 C ATOM 1173 O THR A 72 -14.978 9.451 7.184 1.00 0.58 O ATOM 1174 CB THR A 72 -17.733 9.906 7.302 1.00 0.72 C ATOM 1175 OG1 THR A 72 -19.055 9.351 7.203 1.00 0.83 O ATOM 1176 CG2 THR A 72 -17.819 11.348 7.782 1.00 0.78 C ATOM 0 H THR A 72 -17.795 7.882 5.823 1.00 0.62 H new ATOM 0 HA THR A 72 -17.326 10.658 5.314 1.00 0.64 H new ATOM 0 HB THR A 72 -17.154 9.331 8.025 1.00 0.72 H new ATOM 0 HG1 THR A 72 -19.500 9.409 8.074 1.00 0.83 H new ATOM 0 HG21 THR A 72 -18.330 11.381 8.744 1.00 0.78 H new ATOM 0 HG22 THR A 72 -16.814 11.756 7.891 1.00 0.78 H new ATOM 0 HG23 THR A 72 -18.375 11.941 7.055 1.00 0.78 H new ATOM 1184 N PHE A 73 -14.794 10.498 5.203 1.00 0.56 N ATOM 1185 CA PHE A 73 -13.350 10.657 5.312 1.00 0.51 C ATOM 1186 C PHE A 73 -13.032 11.844 6.222 1.00 0.53 C ATOM 1187 O PHE A 73 -12.619 12.906 5.757 1.00 0.56 O ATOM 1188 CB PHE A 73 -12.725 10.850 3.925 1.00 0.51 C ATOM 1189 CG PHE A 73 -11.219 10.856 3.924 1.00 0.48 C ATOM 1190 CD1 PHE A 73 -10.509 9.671 3.824 1.00 0.62 C ATOM 1191 CD2 PHE A 73 -10.512 12.047 4.023 1.00 0.65 C ATOM 1192 CE1 PHE A 73 -9.127 9.673 3.821 1.00 0.68 C ATOM 1193 CE2 PHE A 73 -9.131 12.053 4.022 1.00 0.70 C ATOM 1194 CZ PHE A 73 -8.438 10.864 3.920 1.00 0.62 C ATOM 0 H PHE A 73 -15.197 10.870 4.343 1.00 0.56 H new ATOM 0 HA PHE A 73 -12.923 9.755 5.749 1.00 0.51 H new ATOM 0 HB2 PHE A 73 -13.075 10.055 3.267 1.00 0.51 H new ATOM 0 HB3 PHE A 73 -13.082 11.791 3.505 1.00 0.51 H new ATOM 0 HD1 PHE A 73 -11.042 8.735 3.747 1.00 0.62 H new ATOM 0 HD2 PHE A 73 -11.049 12.981 4.102 1.00 0.65 H new ATOM 0 HE1 PHE A 73 -8.586 8.742 3.741 1.00 0.68 H new ATOM 0 HE2 PHE A 73 -8.594 12.987 4.101 1.00 0.70 H new ATOM 0 HZ PHE A 73 -7.358 10.866 3.918 1.00 0.62 H new ATOM 1204 N LYS A 74 -13.246 11.655 7.522 1.00 0.55 N ATOM 1205 CA LYS A 74 -12.999 12.703 8.510 1.00 0.59 C ATOM 1206 C LYS A 74 -11.518 13.055 8.595 1.00 0.56 C ATOM 1207 O LYS A 74 -10.716 12.273 9.111 1.00 0.58 O ATOM 1208 CB LYS A 74 -13.502 12.270 9.891 1.00 0.63 C ATOM 1209 CG LYS A 74 -15.000 12.021 9.956 1.00 0.72 C ATOM 1210 CD LYS A 74 -15.794 13.230 9.482 1.00 0.85 C ATOM 1211 CE LYS A 74 -15.468 14.488 10.283 1.00 0.97 C ATOM 1212 NZ LYS A 74 -15.767 14.337 11.733 1.00 1.11 N ATOM 0 H LYS A 74 -13.592 10.781 7.918 1.00 0.55 H new ATOM 0 HA LYS A 74 -13.545 13.589 8.186 1.00 0.59 H new ATOM 0 HB2 LYS A 74 -12.980 11.360 10.187 1.00 0.63 H new ATOM 0 HB3 LYS A 74 -13.240 13.038 10.618 1.00 0.63 H new ATOM 0 HG2 LYS A 74 -15.252 11.157 9.341 1.00 0.72 H new ATOM 0 HG3 LYS A 74 -15.284 11.778 10.980 1.00 0.72 H new ATOM 0 HD2 LYS A 74 -15.584 13.409 8.427 1.00 0.85 H new ATOM 0 HD3 LYS A 74 -16.860 13.016 9.563 1.00 0.85 H new ATOM 0 HE2 LYS A 74 -14.413 14.731 10.157 1.00 0.97 H new ATOM 0 HE3 LYS A 74 -16.038 15.327 9.884 1.00 0.97 H new ATOM 0 HZ1 LYS A 74 -15.592 15.239 12.219 1.00 1.11 H new ATOM 0 HZ2 LYS A 74 -16.763 14.065 11.856 1.00 1.11 H new ATOM 0 HZ3 LYS A 74 -15.155 13.601 12.139 1.00 1.11 H new ATOM 1226 N VAL A 75 -11.164 14.229 8.089 1.00 0.57 N ATOM 1227 CA VAL A 75 -9.787 14.709 8.114 1.00 0.57 C ATOM 1228 C VAL A 75 -9.664 15.984 7.282 1.00 0.60 C ATOM 1229 O VAL A 75 -10.103 16.026 6.131 1.00 0.61 O ATOM 1230 CB VAL A 75 -8.777 13.636 7.609 1.00 0.53 C ATOM 1231 CG1 VAL A 75 -8.052 14.084 6.344 1.00 0.72 C ATOM 1232 CG2 VAL A 75 -7.774 13.296 8.706 1.00 0.74 C ATOM 0 H VAL A 75 -11.821 14.875 7.651 1.00 0.57 H new ATOM 0 HA VAL A 75 -9.535 14.924 9.152 1.00 0.57 H new ATOM 0 HB VAL A 75 -9.347 12.742 7.357 1.00 0.53 H new ATOM 0 HG11 VAL A 75 -7.358 13.306 6.027 1.00 0.72 H new ATOM 0 HG12 VAL A 75 -8.779 14.265 5.553 1.00 0.72 H new ATOM 0 HG13 VAL A 75 -7.500 15.002 6.547 1.00 0.72 H new ATOM 0 HG21 VAL A 75 -7.074 12.545 8.339 1.00 0.74 H new ATOM 0 HG22 VAL A 75 -7.226 14.195 8.989 1.00 0.74 H new ATOM 0 HG23 VAL A 75 -8.304 12.905 9.575 1.00 0.74 H new ATOM 1242 N PRO A 76 -9.089 17.048 7.858 1.00 0.65 N ATOM 1243 CA PRO A 76 -8.912 18.313 7.152 1.00 0.71 C ATOM 1244 C PRO A 76 -8.088 18.137 5.886 1.00 0.66 C ATOM 1245 O PRO A 76 -7.037 17.487 5.909 1.00 0.62 O ATOM 1246 CB PRO A 76 -8.167 19.197 8.157 1.00 0.77 C ATOM 1247 CG PRO A 76 -8.439 18.581 9.485 1.00 0.79 C ATOM 1248 CD PRO A 76 -8.578 17.108 9.236 1.00 0.69 C ATOM 0 HA PRO A 76 -9.863 18.738 6.830 1.00 0.71 H new ATOM 0 HB2 PRO A 76 -7.098 19.222 7.945 1.00 0.77 H new ATOM 0 HB3 PRO A 76 -8.524 20.226 8.118 1.00 0.77 H new ATOM 0 HG2 PRO A 76 -7.627 18.784 10.183 1.00 0.79 H new ATOM 0 HG3 PRO A 76 -9.348 18.990 9.926 1.00 0.79 H new ATOM 0 HD2 PRO A 76 -7.624 16.591 9.335 1.00 0.69 H new ATOM 0 HD3 PRO A 76 -9.267 16.643 9.942 1.00 0.69 H new ATOM 1256 N TYR A 77 -8.561 18.708 4.785 1.00 0.71 N ATOM 1257 CA TYR A 77 -7.855 18.615 3.511 1.00 0.71 C ATOM 1258 C TYR A 77 -6.375 18.952 3.692 1.00 0.69 C ATOM 1259 O TYR A 77 -5.511 18.360 3.050 1.00 0.69 O ATOM 1260 CB TYR A 77 -8.496 19.537 2.467 1.00 0.81 C ATOM 1261 CG TYR A 77 -8.690 20.963 2.939 1.00 0.88 C ATOM 1262 CD1 TYR A 77 -7.695 21.914 2.760 1.00 0.96 C ATOM 1263 CD2 TYR A 77 -9.867 21.357 3.567 1.00 0.96 C ATOM 1264 CE1 TYR A 77 -7.865 23.215 3.193 1.00 1.08 C ATOM 1265 CE2 TYR A 77 -10.044 22.654 4.004 1.00 1.08 C ATOM 1266 CZ TYR A 77 -9.042 23.580 3.815 1.00 1.12 C ATOM 1267 OH TYR A 77 -9.216 24.875 4.254 1.00 1.28 O ATOM 0 H TYR A 77 -9.430 19.240 4.748 1.00 0.71 H new ATOM 0 HA TYR A 77 -7.932 17.589 3.151 1.00 0.71 H new ATOM 0 HB2 TYR A 77 -7.874 19.543 1.572 1.00 0.81 H new ATOM 0 HB3 TYR A 77 -9.464 19.126 2.180 1.00 0.81 H new ATOM 0 HD1 TYR A 77 -6.772 21.632 2.274 1.00 0.96 H new ATOM 0 HD2 TYR A 77 -10.656 20.635 3.715 1.00 0.96 H new ATOM 0 HE1 TYR A 77 -7.081 23.943 3.046 1.00 1.08 H new ATOM 0 HE2 TYR A 77 -10.964 22.942 4.492 1.00 1.08 H new ATOM 0 HH TYR A 77 -10.100 24.964 4.668 1.00 1.28 H new ATOM 1277 N SER A 78 -6.090 19.892 4.585 1.00 0.72 N ATOM 1278 CA SER A 78 -4.721 20.295 4.870 1.00 0.74 C ATOM 1279 C SER A 78 -3.930 19.121 5.453 1.00 0.70 C ATOM 1280 O SER A 78 -2.763 18.913 5.119 1.00 0.78 O ATOM 1281 CB SER A 78 -4.723 21.473 5.846 1.00 0.83 C ATOM 1282 OG SER A 78 -6.039 21.729 6.333 1.00 1.04 O ATOM 0 H SER A 78 -6.795 20.392 5.127 1.00 0.72 H new ATOM 0 HA SER A 78 -4.241 20.604 3.941 1.00 0.74 H new ATOM 0 HB2 SER A 78 -4.057 21.259 6.682 1.00 0.83 H new ATOM 0 HB3 SER A 78 -4.335 22.362 5.349 1.00 0.83 H new ATOM 0 HG SER A 78 -6.016 22.485 6.956 1.00 1.04 H new ATOM 1288 N GLU A 79 -4.581 18.351 6.323 1.00 0.66 N ATOM 1289 CA GLU A 79 -3.954 17.193 6.948 1.00 0.65 C ATOM 1290 C GLU A 79 -3.981 15.990 6.003 1.00 0.59 C ATOM 1291 O GLU A 79 -3.103 15.127 6.055 1.00 0.61 O ATOM 1292 CB GLU A 79 -4.670 16.840 8.255 1.00 0.72 C ATOM 1293 CG GLU A 79 -3.730 16.568 9.418 1.00 0.86 C ATOM 1294 CD GLU A 79 -4.430 15.927 10.598 1.00 0.83 C ATOM 1295 OE1 GLU A 79 -5.216 16.613 11.277 1.00 1.08 O ATOM 1296 OE2 GLU A 79 -4.190 14.733 10.859 1.00 0.85 O ATOM 0 H GLU A 79 -5.546 18.511 6.611 1.00 0.66 H new ATOM 0 HA GLU A 79 -2.916 17.445 7.167 1.00 0.65 H new ATOM 0 HB2 GLU A 79 -5.338 17.658 8.524 1.00 0.72 H new ATOM 0 HB3 GLU A 79 -5.293 15.961 8.091 1.00 0.72 H new ATOM 0 HG2 GLU A 79 -2.923 15.917 9.083 1.00 0.86 H new ATOM 0 HG3 GLU A 79 -3.273 17.505 9.737 1.00 0.86 H new ATOM 1303 N LEU A 80 -5.008 15.936 5.153 1.00 0.60 N ATOM 1304 CA LEU A 80 -5.176 14.851 4.184 1.00 0.62 C ATOM 1305 C LEU A 80 -3.860 14.505 3.482 1.00 0.57 C ATOM 1306 O LEU A 80 -3.567 13.329 3.247 1.00 0.59 O ATOM 1307 CB LEU A 80 -6.267 15.229 3.159 1.00 0.70 C ATOM 1308 CG LEU A 80 -5.902 15.064 1.674 1.00 0.73 C ATOM 1309 CD1 LEU A 80 -7.140 14.733 0.857 1.00 0.84 C ATOM 1310 CD2 LEU A 80 -5.241 16.322 1.129 1.00 0.90 C ATOM 0 H LEU A 80 -5.745 16.641 5.117 1.00 0.60 H new ATOM 0 HA LEU A 80 -5.490 13.959 4.725 1.00 0.62 H new ATOM 0 HB2 LEU A 80 -7.150 14.623 3.362 1.00 0.70 H new ATOM 0 HB3 LEU A 80 -6.548 16.269 3.328 1.00 0.70 H new ATOM 0 HG LEU A 80 -5.192 14.241 1.594 1.00 0.73 H new ATOM 0 HD11 LEU A 80 -6.864 14.620 -0.191 1.00 0.84 H new ATOM 0 HD12 LEU A 80 -7.577 13.803 1.220 1.00 0.84 H new ATOM 0 HD13 LEU A 80 -7.867 15.539 0.956 1.00 0.84 H new ATOM 0 HD21 LEU A 80 -4.994 16.177 0.077 1.00 0.90 H new ATOM 0 HD22 LEU A 80 -5.925 17.165 1.228 1.00 0.90 H new ATOM 0 HD23 LEU A 80 -4.330 16.527 1.691 1.00 0.90 H new ATOM 1322 N GLY A 81 -3.069 15.527 3.168 1.00 0.58 N ATOM 1323 CA GLY A 81 -1.805 15.321 2.485 1.00 0.61 C ATOM 1324 C GLY A 81 -0.971 14.205 3.088 1.00 0.59 C ATOM 1325 O GLY A 81 -0.368 13.413 2.362 1.00 0.84 O ATOM 0 H GLY A 81 -3.284 16.502 3.377 1.00 0.58 H new ATOM 0 HA2 GLY A 81 -1.999 15.094 1.437 1.00 0.61 H new ATOM 0 HA3 GLY A 81 -1.232 16.248 2.510 1.00 0.61 H new ATOM 1329 N GLY A 82 -0.948 14.125 4.413 1.00 0.51 N ATOM 1330 CA GLY A 82 -0.161 13.102 5.074 1.00 0.54 C ATOM 1331 C GLY A 82 -0.916 11.802 5.297 1.00 0.52 C ATOM 1332 O GLY A 82 -0.462 10.953 6.065 1.00 0.78 O ATOM 0 H GLY A 82 -1.458 14.748 5.039 1.00 0.51 H new ATOM 0 HA2 GLY A 82 0.728 12.898 4.478 1.00 0.54 H new ATOM 0 HA3 GLY A 82 0.181 13.484 6.036 1.00 0.54 H new ATOM 1336 N LYS A 83 -2.047 11.618 4.623 1.00 0.43 N ATOM 1337 CA LYS A 83 -2.840 10.406 4.790 1.00 0.46 C ATOM 1338 C LYS A 83 -2.946 9.624 3.479 1.00 0.50 C ATOM 1339 O LYS A 83 -2.584 10.122 2.411 1.00 0.87 O ATOM 1340 CB LYS A 83 -4.245 10.753 5.304 1.00 0.55 C ATOM 1341 CG LYS A 83 -4.310 11.104 6.787 1.00 0.69 C ATOM 1342 CD LYS A 83 -3.503 12.352 7.108 1.00 0.89 C ATOM 1343 CE LYS A 83 -4.184 13.214 8.160 1.00 0.78 C ATOM 1344 NZ LYS A 83 -4.094 12.627 9.524 1.00 0.88 N ATOM 0 H LYS A 83 -2.433 12.289 3.959 1.00 0.43 H new ATOM 0 HA LYS A 83 -2.333 9.778 5.523 1.00 0.46 H new ATOM 0 HB2 LYS A 83 -4.631 11.594 4.728 1.00 0.55 H new ATOM 0 HB3 LYS A 83 -4.906 9.907 5.115 1.00 0.55 H new ATOM 0 HG2 LYS A 83 -5.349 11.258 7.079 1.00 0.69 H new ATOM 0 HG3 LYS A 83 -3.934 10.267 7.375 1.00 0.69 H new ATOM 0 HD2 LYS A 83 -2.513 12.063 7.461 1.00 0.89 H new ATOM 0 HD3 LYS A 83 -3.359 12.935 6.198 1.00 0.89 H new ATOM 0 HE2 LYS A 83 -3.729 14.204 8.164 1.00 0.78 H new ATOM 0 HE3 LYS A 83 -5.233 13.346 7.893 1.00 0.78 H new ATOM 0 HZ1 LYS A 83 -4.085 13.390 10.230 1.00 0.88 H new ATOM 0 HZ2 LYS A 83 -4.914 12.010 9.691 1.00 0.88 H new ATOM 0 HZ3 LYS A 83 -3.219 12.070 9.605 1.00 0.88 H new ATOM 1358 N THR A 84 -3.434 8.394 3.580 1.00 0.38 N ATOM 1359 CA THR A 84 -3.623 7.523 2.432 1.00 0.37 C ATOM 1360 C THR A 84 -4.842 6.638 2.670 1.00 0.40 C ATOM 1361 O THR A 84 -4.787 5.698 3.466 1.00 0.49 O ATOM 1362 CB THR A 84 -2.388 6.637 2.168 1.00 0.43 C ATOM 1363 OG1 THR A 84 -1.307 7.001 3.046 1.00 0.55 O ATOM 1364 CG2 THR A 84 -1.941 6.769 0.721 1.00 0.65 C ATOM 0 H THR A 84 -3.711 7.972 4.467 1.00 0.38 H new ATOM 0 HA THR A 84 -3.772 8.152 1.554 1.00 0.37 H new ATOM 0 HB THR A 84 -2.665 5.601 2.362 1.00 0.43 H new ATOM 0 HG1 THR A 84 -0.614 6.309 3.016 1.00 0.55 H new ATOM 0 HG21 THR A 84 -1.069 6.138 0.551 1.00 0.65 H new ATOM 0 HG22 THR A 84 -2.750 6.456 0.060 1.00 0.65 H new ATOM 0 HG23 THR A 84 -1.684 7.808 0.513 1.00 0.65 H new ATOM 1372 N LEU A 85 -5.949 6.959 2.006 1.00 0.43 N ATOM 1373 CA LEU A 85 -7.185 6.204 2.174 1.00 0.53 C ATOM 1374 C LEU A 85 -7.112 4.862 1.457 1.00 0.43 C ATOM 1375 O LEU A 85 -6.548 4.759 0.364 1.00 0.42 O ATOM 1376 CB LEU A 85 -8.392 7.016 1.675 1.00 0.75 C ATOM 1377 CG LEU A 85 -8.811 6.778 0.216 1.00 0.63 C ATOM 1378 CD1 LEU A 85 -10.121 7.492 -0.079 1.00 0.89 C ATOM 1379 CD2 LEU A 85 -7.727 7.247 -0.742 1.00 1.40 C ATOM 0 H LEU A 85 -6.015 7.736 1.348 1.00 0.43 H new ATOM 0 HA LEU A 85 -7.315 6.011 3.239 1.00 0.53 H new ATOM 0 HB2 LEU A 85 -9.244 6.793 2.317 1.00 0.75 H new ATOM 0 HB3 LEU A 85 -8.168 8.075 1.799 1.00 0.75 H new ATOM 0 HG LEU A 85 -8.954 5.707 0.072 1.00 0.63 H new ATOM 0 HD11 LEU A 85 -10.406 7.315 -1.116 1.00 0.89 H new ATOM 0 HD12 LEU A 85 -10.900 7.111 0.582 1.00 0.89 H new ATOM 0 HD13 LEU A 85 -9.997 8.562 0.086 1.00 0.89 H new ATOM 0 HD21 LEU A 85 -8.046 7.068 -1.769 1.00 1.40 H new ATOM 0 HD22 LEU A 85 -7.550 8.313 -0.597 1.00 1.40 H new ATOM 0 HD23 LEU A 85 -6.806 6.697 -0.547 1.00 1.40 H new ATOM 1391 N VAL A 86 -7.676 3.837 2.080 1.00 0.42 N ATOM 1392 CA VAL A 86 -7.688 2.505 1.504 1.00 0.43 C ATOM 1393 C VAL A 86 -9.080 1.889 1.635 1.00 0.47 C ATOM 1394 O VAL A 86 -9.653 1.846 2.727 1.00 0.69 O ATOM 1395 CB VAL A 86 -6.625 1.586 2.156 1.00 0.52 C ATOM 1396 CG1 VAL A 86 -5.277 2.292 2.219 1.00 0.51 C ATOM 1397 CG2 VAL A 86 -7.054 1.132 3.545 1.00 0.69 C ATOM 0 H VAL A 86 -8.133 3.906 2.989 1.00 0.42 H new ATOM 0 HA VAL A 86 -7.435 2.597 0.448 1.00 0.43 H new ATOM 0 HB VAL A 86 -6.528 0.697 1.532 1.00 0.52 H new ATOM 0 HG11 VAL A 86 -4.542 1.632 2.680 1.00 0.51 H new ATOM 0 HG12 VAL A 86 -4.953 2.548 1.210 1.00 0.51 H new ATOM 0 HG13 VAL A 86 -5.370 3.202 2.812 1.00 0.51 H new ATOM 0 HG21 VAL A 86 -6.284 0.489 3.972 1.00 0.69 H new ATOM 0 HG22 VAL A 86 -7.195 2.003 4.185 1.00 0.69 H new ATOM 0 HG23 VAL A 86 -7.990 0.579 3.474 1.00 0.69 H new ATOM 1407 N MET A 87 -9.633 1.448 0.517 1.00 0.47 N ATOM 1408 CA MET A 87 -10.953 0.841 0.507 1.00 0.52 C ATOM 1409 C MET A 87 -10.835 -0.653 0.238 1.00 0.52 C ATOM 1410 O MET A 87 -10.487 -1.064 -0.874 1.00 0.60 O ATOM 1411 CB MET A 87 -11.836 1.492 -0.557 1.00 0.63 C ATOM 1412 CG MET A 87 -13.251 0.931 -0.608 1.00 0.72 C ATOM 1413 SD MET A 87 -14.338 1.651 0.636 1.00 0.84 S ATOM 1414 CE MET A 87 -14.574 3.296 -0.033 1.00 1.05 C ATOM 0 H MET A 87 -9.186 1.500 -0.398 1.00 0.47 H new ATOM 0 HA MET A 87 -11.413 0.996 1.483 1.00 0.52 H new ATOM 0 HB2 MET A 87 -11.887 2.564 -0.368 1.00 0.63 H new ATOM 0 HB3 MET A 87 -11.368 1.363 -1.533 1.00 0.63 H new ATOM 0 HG2 MET A 87 -13.672 1.110 -1.598 1.00 0.72 H new ATOM 0 HG3 MET A 87 -13.213 -0.149 -0.468 1.00 0.72 H new ATOM 0 HE1 MET A 87 -14.030 4.018 0.576 1.00 1.05 H new ATOM 0 HE2 MET A 87 -14.201 3.330 -1.056 1.00 1.05 H new ATOM 0 HE3 MET A 87 -15.636 3.543 -0.026 1.00 1.05 H new ATOM 1424 N ALA A 88 -11.109 -1.454 1.257 1.00 0.51 N ATOM 1425 CA ALA A 88 -11.033 -2.901 1.131 1.00 0.57 C ATOM 1426 C ALA A 88 -12.428 -3.505 1.076 1.00 0.61 C ATOM 1427 O ALA A 88 -13.268 -3.229 1.940 1.00 0.63 O ATOM 1428 CB ALA A 88 -10.237 -3.494 2.285 1.00 0.60 C ATOM 0 H ALA A 88 -11.386 -1.125 2.182 1.00 0.51 H new ATOM 0 HA ALA A 88 -10.519 -3.141 0.200 1.00 0.57 H new ATOM 0 HB1 ALA A 88 -10.190 -4.577 2.176 1.00 0.60 H new ATOM 0 HB2 ALA A 88 -9.227 -3.084 2.279 1.00 0.60 H new ATOM 0 HB3 ALA A 88 -10.724 -3.246 3.228 1.00 0.60 H new ATOM 1434 N VAL A 89 -12.680 -4.317 0.058 1.00 0.64 N ATOM 1435 CA VAL A 89 -13.976 -4.962 -0.095 1.00 0.68 C ATOM 1436 C VAL A 89 -13.982 -6.282 0.670 1.00 0.72 C ATOM 1437 O VAL A 89 -13.258 -7.219 0.328 1.00 0.76 O ATOM 1438 CB VAL A 89 -14.351 -5.187 -1.579 1.00 0.72 C ATOM 1439 CG1 VAL A 89 -13.253 -5.935 -2.320 1.00 0.74 C ATOM 1440 CG2 VAL A 89 -15.686 -5.915 -1.695 1.00 0.77 C ATOM 0 H VAL A 89 -12.005 -4.544 -0.672 1.00 0.64 H new ATOM 0 HA VAL A 89 -14.732 -4.295 0.319 1.00 0.68 H new ATOM 0 HB VAL A 89 -14.456 -4.209 -2.049 1.00 0.72 H new ATOM 0 HG11 VAL A 89 -13.547 -6.077 -3.360 1.00 0.74 H new ATOM 0 HG12 VAL A 89 -12.329 -5.358 -2.280 1.00 0.74 H new ATOM 0 HG13 VAL A 89 -13.095 -6.907 -1.852 1.00 0.74 H new ATOM 0 HG21 VAL A 89 -15.930 -6.062 -2.747 1.00 0.77 H new ATOM 0 HG22 VAL A 89 -15.617 -6.883 -1.199 1.00 0.77 H new ATOM 0 HG23 VAL A 89 -16.467 -5.320 -1.222 1.00 0.77 H new ATOM 1450 N TYR A 90 -14.787 -6.335 1.718 1.00 0.73 N ATOM 1451 CA TYR A 90 -14.882 -7.514 2.561 1.00 0.78 C ATOM 1452 C TYR A 90 -16.111 -8.339 2.203 1.00 0.83 C ATOM 1453 O TYR A 90 -17.155 -7.787 1.848 1.00 0.83 O ATOM 1454 CB TYR A 90 -14.940 -7.089 4.031 1.00 0.78 C ATOM 1455 CG TYR A 90 -14.413 -8.133 4.983 1.00 0.82 C ATOM 1456 CD1 TYR A 90 -13.054 -8.233 5.243 1.00 0.98 C ATOM 1457 CD2 TYR A 90 -15.271 -9.017 5.617 1.00 0.87 C ATOM 1458 CE1 TYR A 90 -12.563 -9.189 6.108 1.00 1.08 C ATOM 1459 CE2 TYR A 90 -14.788 -9.976 6.482 1.00 0.94 C ATOM 1460 CZ TYR A 90 -13.435 -10.059 6.723 1.00 1.00 C ATOM 1461 OH TYR A 90 -12.950 -11.016 7.583 1.00 1.12 O ATOM 0 H TYR A 90 -15.391 -5.565 2.007 1.00 0.73 H new ATOM 0 HA TYR A 90 -14.000 -8.133 2.398 1.00 0.78 H new ATOM 0 HB2 TYR A 90 -14.366 -6.171 4.158 1.00 0.78 H new ATOM 0 HB3 TYR A 90 -15.973 -6.858 4.293 1.00 0.78 H new ATOM 0 HD1 TYR A 90 -12.369 -7.551 4.760 1.00 0.98 H new ATOM 0 HD2 TYR A 90 -16.333 -8.954 5.431 1.00 0.87 H new ATOM 0 HE1 TYR A 90 -11.502 -9.254 6.301 1.00 1.08 H new ATOM 0 HE2 TYR A 90 -15.468 -10.659 6.969 1.00 0.94 H new ATOM 0 HH TYR A 90 -12.574 -11.759 7.067 1.00 1.12 H new ATOM 1471 N ASP A 91 -15.975 -9.657 2.273 1.00 0.88 N ATOM 1472 CA ASP A 91 -17.080 -10.559 1.971 1.00 0.93 C ATOM 1473 C ASP A 91 -17.758 -11.015 3.258 1.00 0.95 C ATOM 1474 O ASP A 91 -17.155 -10.983 4.334 1.00 0.96 O ATOM 1475 CB ASP A 91 -16.600 -11.782 1.180 1.00 0.98 C ATOM 1476 CG ASP A 91 -17.575 -12.943 1.278 1.00 1.03 C ATOM 1477 OD1 ASP A 91 -18.571 -12.956 0.520 1.00 1.04 O ATOM 1478 OD2 ASP A 91 -17.362 -13.830 2.135 1.00 1.07 O ATOM 0 H ASP A 91 -15.109 -10.126 2.537 1.00 0.88 H new ATOM 0 HA ASP A 91 -17.796 -10.012 1.358 1.00 0.93 H new ATOM 0 HB2 ASP A 91 -16.467 -11.507 0.133 1.00 0.98 H new ATOM 0 HB3 ASP A 91 -15.625 -12.095 1.553 1.00 0.98 H new ATOM 1483 N PHE A 92 -19.005 -11.437 3.142 1.00 0.99 N ATOM 1484 CA PHE A 92 -19.761 -11.906 4.287 1.00 1.03 C ATOM 1485 C PHE A 92 -20.505 -13.197 3.948 1.00 1.07 C ATOM 1486 O PHE A 92 -21.700 -13.313 4.200 1.00 1.11 O ATOM 1487 CB PHE A 92 -20.740 -10.821 4.753 1.00 1.04 C ATOM 1488 CG PHE A 92 -20.979 -10.829 6.236 1.00 1.09 C ATOM 1489 CD1 PHE A 92 -19.966 -10.469 7.114 1.00 1.22 C ATOM 1490 CD2 PHE A 92 -22.211 -11.192 6.753 1.00 1.15 C ATOM 1491 CE1 PHE A 92 -20.180 -10.472 8.477 1.00 1.35 C ATOM 1492 CE2 PHE A 92 -22.429 -11.197 8.118 1.00 1.23 C ATOM 1493 CZ PHE A 92 -21.413 -10.837 8.981 1.00 1.31 C ATOM 0 H PHE A 92 -19.517 -11.464 2.260 1.00 0.99 H new ATOM 0 HA PHE A 92 -19.067 -12.120 5.100 1.00 1.03 H new ATOM 0 HB2 PHE A 92 -20.355 -9.844 4.460 1.00 1.04 H new ATOM 0 HB3 PHE A 92 -21.691 -10.956 4.239 1.00 1.04 H new ATOM 0 HD1 PHE A 92 -18.999 -10.183 6.726 1.00 1.22 H new ATOM 0 HD2 PHE A 92 -23.010 -11.474 6.083 1.00 1.15 H new ATOM 0 HE1 PHE A 92 -19.384 -10.189 9.150 1.00 1.35 H new ATOM 0 HE2 PHE A 92 -23.394 -11.483 8.510 1.00 1.23 H new ATOM 0 HZ PHE A 92 -21.582 -10.841 10.048 1.00 1.31 H new ATOM 1503 N ASP A 93 -19.788 -14.164 3.374 1.00 1.08 N ATOM 1504 CA ASP A 93 -20.373 -15.460 3.010 1.00 1.13 C ATOM 1505 C ASP A 93 -21.245 -16.009 4.148 1.00 1.17 C ATOM 1506 O ASP A 93 -22.261 -16.659 3.903 1.00 1.22 O ATOM 1507 CB ASP A 93 -19.268 -16.463 2.655 1.00 1.16 C ATOM 1508 CG ASP A 93 -18.697 -17.178 3.868 1.00 1.22 C ATOM 1509 OD1 ASP A 93 -18.279 -16.499 4.841 1.00 1.58 O ATOM 1510 OD2 ASP A 93 -18.669 -18.426 3.861 1.00 1.47 O ATOM 0 H ASP A 93 -18.797 -14.076 3.149 1.00 1.08 H new ATOM 0 HA ASP A 93 -21.008 -15.312 2.137 1.00 1.13 H new ATOM 0 HB2 ASP A 93 -19.667 -17.202 1.960 1.00 1.16 H new ATOM 0 HB3 ASP A 93 -18.464 -15.940 2.138 1.00 1.16 H new ATOM 1515 N ARG A 94 -20.819 -15.747 5.385 1.00 1.17 N ATOM 1516 CA ARG A 94 -21.541 -16.163 6.592 1.00 1.22 C ATOM 1517 C ARG A 94 -21.354 -17.653 6.895 1.00 1.28 C ATOM 1518 O ARG A 94 -22.288 -18.319 7.355 1.00 1.36 O ATOM 1519 CB ARG A 94 -23.034 -15.824 6.482 1.00 1.25 C ATOM 1520 CG ARG A 94 -23.312 -14.345 6.265 1.00 1.20 C ATOM 1521 CD ARG A 94 -24.086 -14.102 4.976 1.00 1.24 C ATOM 1522 NE ARG A 94 -25.485 -14.505 5.095 1.00 1.33 N ATOM 1523 CZ ARG A 94 -26.464 -14.086 4.289 1.00 1.37 C ATOM 1524 NH1 ARG A 94 -26.204 -13.300 3.244 1.00 1.39 N ATOM 1525 NH2 ARG A 94 -27.714 -14.463 4.530 1.00 1.54 N ATOM 0 H ARG A 94 -19.958 -15.237 5.580 1.00 1.17 H new ATOM 0 HA ARG A 94 -21.113 -15.604 7.424 1.00 1.22 H new ATOM 0 HB2 ARG A 94 -23.466 -16.390 5.657 1.00 1.25 H new ATOM 0 HB3 ARG A 94 -23.539 -16.150 7.391 1.00 1.25 H new ATOM 0 HG2 ARG A 94 -23.879 -13.953 7.110 1.00 1.20 H new ATOM 0 HG3 ARG A 94 -22.370 -13.798 6.233 1.00 1.20 H new ATOM 0 HD2 ARG A 94 -24.034 -13.045 4.715 1.00 1.24 H new ATOM 0 HD3 ARG A 94 -23.617 -14.655 4.162 1.00 1.24 H new ATOM 0 HE ARG A 94 -25.731 -15.151 5.845 1.00 1.33 H new ATOM 0 HH11 ARG A 94 -25.246 -13.010 3.050 1.00 1.39 H new ATOM 0 HH12 ARG A 94 -26.963 -12.989 2.638 1.00 1.39 H new ATOM 0 HH21 ARG A 94 -27.920 -15.068 5.325 1.00 1.54 H new ATOM 0 HH22 ARG A 94 -28.468 -14.148 3.920 1.00 1.54 H new ATOM 1539 N PHE A 95 -20.153 -18.170 6.654 1.00 1.28 N ATOM 1540 CA PHE A 95 -19.853 -19.576 6.927 1.00 1.34 C ATOM 1541 C PHE A 95 -18.347 -19.793 7.038 1.00 1.34 C ATOM 1542 O PHE A 95 -17.846 -20.246 8.068 1.00 1.41 O ATOM 1543 CB PHE A 95 -20.441 -20.475 5.830 1.00 1.37 C ATOM 1544 CG PHE A 95 -20.007 -21.916 5.929 1.00 1.45 C ATOM 1545 CD1 PHE A 95 -20.404 -22.702 7.000 1.00 1.56 C ATOM 1546 CD2 PHE A 95 -19.205 -22.483 4.949 1.00 1.52 C ATOM 1547 CE1 PHE A 95 -20.007 -24.021 7.094 1.00 1.67 C ATOM 1548 CE2 PHE A 95 -18.805 -23.803 5.039 1.00 1.62 C ATOM 1549 CZ PHE A 95 -19.208 -24.573 6.114 1.00 1.66 C ATOM 0 H PHE A 95 -19.371 -17.639 6.271 1.00 1.28 H new ATOM 0 HA PHE A 95 -20.312 -19.844 7.879 1.00 1.34 H new ATOM 0 HB2 PHE A 95 -21.529 -20.428 5.879 1.00 1.37 H new ATOM 0 HB3 PHE A 95 -20.149 -20.083 4.856 1.00 1.37 H new ATOM 0 HD1 PHE A 95 -21.031 -22.277 7.770 1.00 1.56 H new ATOM 0 HD2 PHE A 95 -18.890 -21.886 4.106 1.00 1.52 H new ATOM 0 HE1 PHE A 95 -20.322 -24.621 7.935 1.00 1.67 H new ATOM 0 HE2 PHE A 95 -18.179 -24.232 4.271 1.00 1.62 H new ATOM 0 HZ PHE A 95 -18.898 -25.605 6.187 1.00 1.66 H new ATOM 1559 N SER A 96 -17.638 -19.443 5.981 1.00 1.30 N ATOM 1560 CA SER A 96 -16.191 -19.594 5.921 1.00 1.32 C ATOM 1561 C SER A 96 -15.503 -18.356 6.497 1.00 1.27 C ATOM 1562 O SER A 96 -16.163 -17.368 6.836 1.00 1.25 O ATOM 1563 CB SER A 96 -15.755 -19.803 4.465 1.00 1.34 C ATOM 1564 OG SER A 96 -16.816 -20.331 3.678 1.00 1.52 O ATOM 0 H SER A 96 -18.048 -19.045 5.136 1.00 1.30 H new ATOM 0 HA SER A 96 -15.901 -20.462 6.514 1.00 1.32 H new ATOM 0 HB2 SER A 96 -15.424 -18.854 4.043 1.00 1.34 H new ATOM 0 HB3 SER A 96 -14.903 -20.482 4.432 1.00 1.34 H new ATOM 0 HG SER A 96 -17.442 -19.613 3.449 1.00 1.52 H new ATOM 1570 N LYS A 97 -14.183 -18.410 6.629 1.00 1.27 N ATOM 1571 CA LYS A 97 -13.433 -17.270 7.142 1.00 1.24 C ATOM 1572 C LYS A 97 -13.527 -16.118 6.150 1.00 1.21 C ATOM 1573 O LYS A 97 -12.769 -16.067 5.180 1.00 1.29 O ATOM 1574 CB LYS A 97 -11.966 -17.640 7.386 1.00 1.27 C ATOM 1575 CG LYS A 97 -11.735 -18.436 8.661 1.00 1.32 C ATOM 1576 CD LYS A 97 -11.989 -17.596 9.909 1.00 1.39 C ATOM 1577 CE LYS A 97 -10.934 -16.512 10.094 1.00 1.47 C ATOM 1578 NZ LYS A 97 -9.613 -17.076 10.480 1.00 1.58 N ATOM 0 H LYS A 97 -13.614 -19.223 6.391 1.00 1.27 H new ATOM 0 HA LYS A 97 -13.864 -16.968 8.097 1.00 1.24 H new ATOM 0 HB2 LYS A 97 -11.601 -18.218 6.537 1.00 1.27 H new ATOM 0 HB3 LYS A 97 -11.373 -16.726 7.427 1.00 1.27 H new ATOM 0 HG2 LYS A 97 -12.391 -19.307 8.669 1.00 1.32 H new ATOM 0 HG3 LYS A 97 -10.711 -18.808 8.676 1.00 1.32 H new ATOM 0 HD2 LYS A 97 -12.974 -17.135 9.841 1.00 1.39 H new ATOM 0 HD3 LYS A 97 -12.000 -18.244 10.786 1.00 1.39 H new ATOM 0 HE2 LYS A 97 -10.830 -15.947 9.168 1.00 1.47 H new ATOM 0 HE3 LYS A 97 -11.266 -15.811 10.860 1.00 1.47 H new ATOM 0 HZ1 LYS A 97 -8.969 -16.303 10.743 1.00 1.58 H new ATOM 0 HZ2 LYS A 97 -9.733 -17.718 11.290 1.00 1.58 H new ATOM 0 HZ3 LYS A 97 -9.212 -17.602 9.678 1.00 1.58 H new ATOM 1592 N HIS A 98 -14.476 -15.214 6.389 1.00 1.23 N ATOM 1593 CA HIS A 98 -14.692 -14.058 5.515 1.00 1.22 C ATOM 1594 C HIS A 98 -13.357 -13.505 5.035 1.00 1.10 C ATOM 1595 O HIS A 98 -12.570 -12.976 5.827 1.00 1.10 O ATOM 1596 CB HIS A 98 -15.478 -12.957 6.229 1.00 1.33 C ATOM 1597 CG HIS A 98 -16.710 -13.431 6.947 1.00 1.19 C ATOM 1598 ND1 HIS A 98 -17.448 -14.540 6.568 1.00 1.22 N ATOM 1599 CD2 HIS A 98 -17.314 -12.948 8.057 1.00 1.29 C ATOM 1600 CE1 HIS A 98 -18.442 -14.710 7.417 1.00 1.26 C ATOM 1601 NE2 HIS A 98 -18.387 -13.760 8.326 1.00 1.29 N ATOM 0 H HIS A 98 -15.112 -15.259 7.185 1.00 1.23 H new ATOM 0 HA HIS A 98 -15.276 -14.395 4.659 1.00 1.22 H new ATOM 0 HB2 HIS A 98 -14.821 -12.468 6.948 1.00 1.33 H new ATOM 0 HB3 HIS A 98 -15.768 -12.203 5.497 1.00 1.33 H new ATOM 0 HD1 HIS A 98 -17.253 -15.131 5.760 1.00 1.22 H new ATOM 0 HD2 HIS A 98 -17.008 -12.083 8.626 1.00 1.29 H new ATOM 0 HE1 HIS A 98 -19.179 -15.498 7.374 1.00 1.26 H new ATOM 1610 N ASP A 99 -13.113 -13.632 3.740 1.00 1.08 N ATOM 1611 CA ASP A 99 -11.863 -13.189 3.141 1.00 1.03 C ATOM 1612 C ASP A 99 -11.992 -11.814 2.497 1.00 0.96 C ATOM 1613 O ASP A 99 -13.099 -11.332 2.238 1.00 1.01 O ATOM 1614 CB ASP A 99 -11.402 -14.214 2.098 1.00 1.17 C ATOM 1615 CG ASP A 99 -10.053 -13.886 1.484 1.00 1.33 C ATOM 1616 OD1 ASP A 99 -9.152 -13.428 2.218 1.00 1.63 O ATOM 1617 OD2 ASP A 99 -9.881 -14.112 0.267 1.00 1.73 O ATOM 0 H ASP A 99 -13.771 -14.042 3.078 1.00 1.08 H new ATOM 0 HA ASP A 99 -11.123 -13.108 3.937 1.00 1.03 H new ATOM 0 HB2 ASP A 99 -11.351 -15.198 2.565 1.00 1.17 H new ATOM 0 HB3 ASP A 99 -12.148 -14.275 1.306 1.00 1.17 H new ATOM 1622 N ILE A 100 -10.849 -11.189 2.253 1.00 0.89 N ATOM 1623 CA ILE A 100 -10.800 -9.881 1.624 1.00 0.83 C ATOM 1624 C ILE A 100 -10.502 -10.051 0.141 1.00 0.84 C ATOM 1625 O ILE A 100 -9.342 -10.146 -0.266 1.00 0.89 O ATOM 1626 CB ILE A 100 -9.730 -8.973 2.277 1.00 0.80 C ATOM 1627 CG1 ILE A 100 -10.039 -8.780 3.764 1.00 0.83 C ATOM 1628 CG2 ILE A 100 -9.661 -7.627 1.565 1.00 0.80 C ATOM 1629 CD1 ILE A 100 -8.886 -8.202 4.558 1.00 0.89 C ATOM 0 H ILE A 100 -9.934 -11.574 2.485 1.00 0.89 H new ATOM 0 HA ILE A 100 -11.768 -9.398 1.759 1.00 0.83 H new ATOM 0 HB ILE A 100 -8.758 -9.457 2.183 1.00 0.80 H new ATOM 0 HG12 ILE A 100 -10.902 -8.122 3.864 1.00 0.83 H new ATOM 0 HG13 ILE A 100 -10.319 -9.741 4.195 1.00 0.83 H new ATOM 0 HG21 ILE A 100 -8.903 -7.003 2.039 1.00 0.80 H new ATOM 0 HG22 ILE A 100 -9.401 -7.782 0.518 1.00 0.80 H new ATOM 0 HG23 ILE A 100 -10.630 -7.132 1.628 1.00 0.80 H new ATOM 0 HD11 ILE A 100 -9.181 -8.095 5.602 1.00 0.89 H new ATOM 0 HD12 ILE A 100 -8.027 -8.869 4.490 1.00 0.89 H new ATOM 0 HD13 ILE A 100 -8.619 -7.225 4.154 1.00 0.89 H new ATOM 1641 N ILE A 101 -11.562 -10.115 -0.658 1.00 0.84 N ATOM 1642 CA ILE A 101 -11.436 -10.300 -2.101 1.00 0.87 C ATOM 1643 C ILE A 101 -10.467 -9.296 -2.734 1.00 0.82 C ATOM 1644 O ILE A 101 -9.769 -9.627 -3.695 1.00 0.86 O ATOM 1645 CB ILE A 101 -12.805 -10.222 -2.819 1.00 0.91 C ATOM 1646 CG1 ILE A 101 -13.654 -9.066 -2.262 1.00 0.89 C ATOM 1647 CG2 ILE A 101 -13.537 -11.558 -2.706 1.00 0.98 C ATOM 1648 CD1 ILE A 101 -14.900 -9.503 -1.518 1.00 1.15 C ATOM 0 H ILE A 101 -12.524 -10.041 -0.329 1.00 0.84 H new ATOM 0 HA ILE A 101 -11.029 -11.302 -2.235 1.00 0.87 H new ATOM 0 HB ILE A 101 -12.633 -10.018 -3.876 1.00 0.91 H new ATOM 0 HG12 ILE A 101 -13.036 -8.469 -1.591 1.00 0.89 H new ATOM 0 HG13 ILE A 101 -13.948 -8.417 -3.087 1.00 0.89 H new ATOM 0 HG21 ILE A 101 -14.499 -11.490 -3.215 1.00 0.98 H new ATOM 0 HG22 ILE A 101 -12.937 -12.342 -3.167 1.00 0.98 H new ATOM 0 HG23 ILE A 101 -13.699 -11.796 -1.655 1.00 0.98 H new ATOM 0 HD11 ILE A 101 -15.437 -8.625 -1.160 1.00 1.15 H new ATOM 0 HD12 ILE A 101 -15.543 -10.073 -2.188 1.00 1.15 H new ATOM 0 HD13 ILE A 101 -14.617 -10.126 -0.669 1.00 1.15 H new ATOM 1660 N GLY A 102 -10.422 -8.074 -2.205 1.00 0.76 N ATOM 1661 CA GLY A 102 -9.523 -7.073 -2.752 1.00 0.72 C ATOM 1662 C GLY A 102 -9.675 -5.713 -2.098 1.00 0.68 C ATOM 1663 O GLY A 102 -10.484 -5.542 -1.180 1.00 0.67 O ATOM 0 H GLY A 102 -10.987 -7.762 -1.415 1.00 0.76 H new ATOM 0 HA2 GLY A 102 -8.494 -7.414 -2.633 1.00 0.72 H new ATOM 0 HA3 GLY A 102 -9.705 -6.977 -3.822 1.00 0.72 H new ATOM 1667 N GLU A 103 -8.908 -4.744 -2.583 1.00 0.70 N ATOM 1668 CA GLU A 103 -8.941 -3.389 -2.046 1.00 0.69 C ATOM 1669 C GLU A 103 -8.404 -2.387 -3.067 1.00 0.76 C ATOM 1670 O GLU A 103 -7.820 -2.771 -4.085 1.00 1.21 O ATOM 1671 CB GLU A 103 -8.101 -3.305 -0.763 1.00 0.69 C ATOM 1672 CG GLU A 103 -6.634 -3.655 -0.980 1.00 0.84 C ATOM 1673 CD GLU A 103 -5.738 -3.211 0.159 1.00 0.89 C ATOM 1674 OE1 GLU A 103 -5.681 -3.919 1.187 1.00 1.08 O ATOM 1675 OE2 GLU A 103 -5.074 -2.160 0.026 1.00 0.99 O ATOM 0 H GLU A 103 -8.251 -4.873 -3.353 1.00 0.70 H new ATOM 0 HA GLU A 103 -9.978 -3.142 -1.819 1.00 0.69 H new ATOM 0 HB2 GLU A 103 -8.170 -2.296 -0.357 1.00 0.69 H new ATOM 0 HB3 GLU A 103 -8.522 -3.979 -0.017 1.00 0.69 H new ATOM 0 HG2 GLU A 103 -6.540 -4.733 -1.108 1.00 0.84 H new ATOM 0 HG3 GLU A 103 -6.290 -3.193 -1.905 1.00 0.84 H new ATOM 1682 N PHE A 104 -8.622 -1.106 -2.799 1.00 0.58 N ATOM 1683 CA PHE A 104 -8.133 -0.041 -3.663 1.00 0.60 C ATOM 1684 C PHE A 104 -7.755 1.170 -2.814 1.00 0.55 C ATOM 1685 O PHE A 104 -8.384 1.432 -1.784 1.00 0.65 O ATOM 1686 CB PHE A 104 -9.167 0.334 -4.738 1.00 0.67 C ATOM 1687 CG PHE A 104 -10.275 1.238 -4.266 1.00 0.70 C ATOM 1688 CD1 PHE A 104 -10.042 2.586 -4.039 1.00 0.71 C ATOM 1689 CD2 PHE A 104 -11.552 0.741 -4.064 1.00 0.91 C ATOM 1690 CE1 PHE A 104 -11.061 3.419 -3.618 1.00 0.89 C ATOM 1691 CE2 PHE A 104 -12.574 1.570 -3.646 1.00 1.07 C ATOM 1692 CZ PHE A 104 -12.328 2.911 -3.421 1.00 1.05 C ATOM 0 H PHE A 104 -9.139 -0.778 -1.983 1.00 0.58 H new ATOM 0 HA PHE A 104 -7.247 -0.397 -4.188 1.00 0.60 H new ATOM 0 HB2 PHE A 104 -8.649 0.820 -5.565 1.00 0.67 H new ATOM 0 HB3 PHE A 104 -9.608 -0.582 -5.132 1.00 0.67 H new ATOM 0 HD1 PHE A 104 -9.052 2.990 -4.193 1.00 0.71 H new ATOM 0 HD2 PHE A 104 -11.751 -0.307 -4.235 1.00 0.91 H new ATOM 0 HE1 PHE A 104 -10.865 4.467 -3.443 1.00 0.89 H new ATOM 0 HE2 PHE A 104 -13.566 1.170 -3.495 1.00 1.07 H new ATOM 0 HZ PHE A 104 -13.126 3.560 -3.092 1.00 1.05 H new ATOM 1702 N LYS A 105 -6.725 1.894 -3.231 1.00 0.46 N ATOM 1703 CA LYS A 105 -6.269 3.060 -2.486 1.00 0.41 C ATOM 1704 C LYS A 105 -5.614 4.078 -3.412 1.00 0.45 C ATOM 1705 O LYS A 105 -5.252 3.754 -4.546 1.00 0.51 O ATOM 1706 CB LYS A 105 -5.278 2.627 -1.398 1.00 0.43 C ATOM 1707 CG LYS A 105 -3.946 2.114 -1.937 1.00 0.53 C ATOM 1708 CD LYS A 105 -3.591 0.746 -1.368 1.00 0.68 C ATOM 1709 CE LYS A 105 -3.607 0.744 0.150 1.00 0.97 C ATOM 1710 NZ LYS A 105 -3.263 -0.588 0.710 1.00 1.43 N ATOM 0 H LYS A 105 -6.191 1.696 -4.077 1.00 0.46 H new ATOM 0 HA LYS A 105 -7.135 3.531 -2.021 1.00 0.41 H new ATOM 0 HB2 LYS A 105 -5.089 3.473 -0.737 1.00 0.43 H new ATOM 0 HB3 LYS A 105 -5.738 1.846 -0.793 1.00 0.43 H new ATOM 0 HG2 LYS A 105 -3.994 2.054 -3.024 1.00 0.53 H new ATOM 0 HG3 LYS A 105 -3.157 2.825 -1.691 1.00 0.53 H new ATOM 0 HD2 LYS A 105 -4.297 0.004 -1.740 1.00 0.68 H new ATOM 0 HD3 LYS A 105 -2.603 0.451 -1.721 1.00 0.68 H new ATOM 0 HE2 LYS A 105 -2.900 1.486 0.521 1.00 0.97 H new ATOM 0 HE3 LYS A 105 -4.595 1.041 0.502 1.00 0.97 H new ATOM 0 HZ1 LYS A 105 -3.335 -0.558 1.747 1.00 1.43 H new ATOM 0 HZ2 LYS A 105 -3.921 -1.302 0.338 1.00 1.43 H new ATOM 0 HZ3 LYS A 105 -2.291 -0.838 0.438 1.00 1.43 H new ATOM 1724 N VAL A 106 -5.463 5.302 -2.920 1.00 0.45 N ATOM 1725 CA VAL A 106 -4.840 6.373 -3.689 1.00 0.52 C ATOM 1726 C VAL A 106 -4.224 7.411 -2.748 1.00 0.46 C ATOM 1727 O VAL A 106 -4.828 7.777 -1.737 1.00 0.43 O ATOM 1728 CB VAL A 106 -5.848 7.052 -4.653 1.00 0.61 C ATOM 1729 CG1 VAL A 106 -7.040 7.619 -3.895 1.00 0.60 C ATOM 1730 CG2 VAL A 106 -5.169 8.138 -5.475 1.00 0.70 C ATOM 0 H VAL A 106 -5.766 5.579 -1.986 1.00 0.45 H new ATOM 0 HA VAL A 106 -4.053 5.928 -4.297 1.00 0.52 H new ATOM 0 HB VAL A 106 -6.217 6.287 -5.336 1.00 0.61 H new ATOM 0 HG11 VAL A 106 -7.728 8.088 -4.598 1.00 0.60 H new ATOM 0 HG12 VAL A 106 -7.552 6.814 -3.368 1.00 0.60 H new ATOM 0 HG13 VAL A 106 -6.694 8.361 -3.176 1.00 0.60 H new ATOM 0 HG21 VAL A 106 -5.898 8.598 -6.143 1.00 0.70 H new ATOM 0 HG22 VAL A 106 -4.758 8.896 -4.808 1.00 0.70 H new ATOM 0 HG23 VAL A 106 -4.364 7.699 -6.064 1.00 0.70 H new ATOM 1740 N PRO A 107 -2.998 7.874 -3.052 1.00 0.54 N ATOM 1741 CA PRO A 107 -2.298 8.872 -2.232 1.00 0.54 C ATOM 1742 C PRO A 107 -3.110 10.158 -2.079 1.00 0.46 C ATOM 1743 O PRO A 107 -3.342 10.878 -3.052 1.00 0.52 O ATOM 1744 CB PRO A 107 -0.998 9.138 -3.006 1.00 0.68 C ATOM 1745 CG PRO A 107 -1.236 8.599 -4.378 1.00 0.88 C ATOM 1746 CD PRO A 107 -2.196 7.462 -4.212 1.00 0.72 C ATOM 0 HA PRO A 107 -2.127 8.518 -1.215 1.00 0.54 H new ATOM 0 HB2 PRO A 107 -0.770 10.203 -3.037 1.00 0.68 H new ATOM 0 HB3 PRO A 107 -0.150 8.644 -2.531 1.00 0.68 H new ATOM 0 HG2 PRO A 107 -1.649 9.366 -5.033 1.00 0.88 H new ATOM 0 HG3 PRO A 107 -0.304 8.261 -4.832 1.00 0.88 H new ATOM 0 HD2 PRO A 107 -2.813 7.321 -5.100 1.00 0.72 H new ATOM 0 HD3 PRO A 107 -1.679 6.520 -4.031 1.00 0.72 H new ATOM 1754 N MET A 108 -3.521 10.447 -0.847 1.00 0.45 N ATOM 1755 CA MET A 108 -4.328 11.633 -0.557 1.00 0.44 C ATOM 1756 C MET A 108 -3.674 12.906 -1.086 1.00 0.43 C ATOM 1757 O MET A 108 -4.295 13.647 -1.842 1.00 0.50 O ATOM 1758 CB MET A 108 -4.587 11.772 0.946 1.00 0.52 C ATOM 1759 CG MET A 108 -5.330 10.598 1.564 1.00 0.63 C ATOM 1760 SD MET A 108 -6.739 10.050 0.582 1.00 0.73 S ATOM 1761 CE MET A 108 -7.652 11.579 0.396 1.00 0.81 C ATOM 0 H MET A 108 -3.308 9.875 -0.030 1.00 0.45 H new ATOM 0 HA MET A 108 -5.280 11.498 -1.070 1.00 0.44 H new ATOM 0 HB2 MET A 108 -3.632 11.893 1.458 1.00 0.52 H new ATOM 0 HB3 MET A 108 -5.160 12.683 1.121 1.00 0.52 H new ATOM 0 HG2 MET A 108 -4.638 9.765 1.691 1.00 0.63 H new ATOM 0 HG3 MET A 108 -5.676 10.879 2.559 1.00 0.63 H new ATOM 0 HE1 MET A 108 -8.602 11.377 -0.098 1.00 0.81 H new ATOM 0 HE2 MET A 108 -7.838 12.013 1.378 1.00 0.81 H new ATOM 0 HE3 MET A 108 -7.072 12.278 -0.206 1.00 0.81 H new ATOM 1771 N ASN A 109 -2.419 13.150 -0.705 1.00 0.41 N ATOM 1772 CA ASN A 109 -1.710 14.356 -1.150 1.00 0.46 C ATOM 1773 C ASN A 109 -1.768 14.507 -2.670 1.00 0.48 C ATOM 1774 O ASN A 109 -1.724 15.621 -3.190 1.00 0.57 O ATOM 1775 CB ASN A 109 -0.246 14.340 -0.689 1.00 0.52 C ATOM 1776 CG ASN A 109 0.256 15.724 -0.296 1.00 0.92 C ATOM 1777 OD1 ASN A 109 -0.499 16.549 0.218 1.00 1.74 O ATOM 1778 ND2 ASN A 109 1.530 15.994 -0.534 1.00 0.86 N ATOM 0 H ASN A 109 -1.876 12.538 -0.096 1.00 0.41 H new ATOM 0 HA ASN A 109 -2.214 15.209 -0.695 1.00 0.46 H new ATOM 0 HB2 ASN A 109 -0.143 13.665 0.160 1.00 0.52 H new ATOM 0 HB3 ASN A 109 0.379 13.944 -1.489 1.00 0.52 H new ATOM 0 HD21 ASN A 109 1.912 16.908 -0.290 1.00 0.86 H new ATOM 0 HD22 ASN A 109 2.130 15.288 -0.961 1.00 0.86 H new ATOM 1785 N THR A 110 -1.861 13.384 -3.381 1.00 0.46 N ATOM 1786 CA THR A 110 -1.928 13.408 -4.835 1.00 0.54 C ATOM 1787 C THR A 110 -3.349 13.711 -5.330 1.00 0.59 C ATOM 1788 O THR A 110 -3.533 14.287 -6.408 1.00 0.84 O ATOM 1789 CB THR A 110 -1.463 12.067 -5.433 1.00 0.61 C ATOM 1790 OG1 THR A 110 -0.224 11.658 -4.829 1.00 1.03 O ATOM 1791 CG2 THR A 110 -1.286 12.186 -6.937 1.00 1.10 C ATOM 0 H THR A 110 -1.891 12.450 -2.972 1.00 0.46 H new ATOM 0 HA THR A 110 -1.261 14.204 -5.167 1.00 0.54 H new ATOM 0 HB THR A 110 -2.227 11.317 -5.228 1.00 0.61 H new ATOM 0 HG1 THR A 110 0.515 12.166 -5.223 1.00 1.03 H new ATOM 0 HG21 THR A 110 -0.957 11.229 -7.342 1.00 1.10 H new ATOM 0 HG22 THR A 110 -2.235 12.466 -7.394 1.00 1.10 H new ATOM 0 HG23 THR A 110 -0.539 12.948 -7.156 1.00 1.10 H new ATOM 1799 N VAL A 111 -4.350 13.309 -4.549 1.00 0.54 N ATOM 1800 CA VAL A 111 -5.741 13.540 -4.907 1.00 0.59 C ATOM 1801 C VAL A 111 -6.118 14.993 -4.637 1.00 0.63 C ATOM 1802 O VAL A 111 -6.531 15.348 -3.530 1.00 0.73 O ATOM 1803 CB VAL A 111 -6.696 12.602 -4.133 1.00 0.63 C ATOM 1804 CG1 VAL A 111 -8.148 12.889 -4.495 1.00 0.69 C ATOM 1805 CG2 VAL A 111 -6.358 11.143 -4.404 1.00 0.68 C ATOM 0 H VAL A 111 -4.219 12.821 -3.663 1.00 0.54 H new ATOM 0 HA VAL A 111 -5.846 13.324 -5.970 1.00 0.59 H new ATOM 0 HB VAL A 111 -6.564 12.792 -3.068 1.00 0.63 H new ATOM 0 HG11 VAL A 111 -8.801 12.217 -3.938 1.00 0.69 H new ATOM 0 HG12 VAL A 111 -8.389 13.922 -4.242 1.00 0.69 H new ATOM 0 HG13 VAL A 111 -8.294 12.734 -5.564 1.00 0.69 H new ATOM 0 HG21 VAL A 111 -7.043 10.502 -3.849 1.00 0.68 H new ATOM 0 HG22 VAL A 111 -6.454 10.939 -5.470 1.00 0.68 H new ATOM 0 HG23 VAL A 111 -5.335 10.942 -4.087 1.00 0.68 H new ATOM 1815 N ASP A 112 -5.956 15.834 -5.650 1.00 0.74 N ATOM 1816 CA ASP A 112 -6.273 17.250 -5.521 1.00 0.84 C ATOM 1817 C ASP A 112 -7.753 17.442 -5.193 1.00 0.83 C ATOM 1818 O ASP A 112 -8.630 16.891 -5.864 1.00 1.03 O ATOM 1819 CB ASP A 112 -5.903 18.016 -6.801 1.00 1.06 C ATOM 1820 CG ASP A 112 -7.019 18.036 -7.833 1.00 1.21 C ATOM 1821 OD1 ASP A 112 -7.848 18.971 -7.807 1.00 1.40 O ATOM 1822 OD2 ASP A 112 -7.062 17.125 -8.685 1.00 1.45 O ATOM 0 H ASP A 112 -5.607 15.561 -6.569 1.00 0.74 H new ATOM 0 HA ASP A 112 -5.680 17.654 -4.700 1.00 0.84 H new ATOM 0 HB2 ASP A 112 -5.641 19.041 -6.540 1.00 1.06 H new ATOM 0 HB3 ASP A 112 -5.016 17.563 -7.244 1.00 1.06 H new ATOM 1827 N PHE A 113 -8.020 18.230 -4.160 1.00 0.80 N ATOM 1828 CA PHE A 113 -9.388 18.497 -3.737 1.00 0.82 C ATOM 1829 C PHE A 113 -9.907 19.776 -4.388 1.00 0.88 C ATOM 1830 O PHE A 113 -10.355 20.701 -3.707 1.00 0.98 O ATOM 1831 CB PHE A 113 -9.492 18.577 -2.201 1.00 0.86 C ATOM 1832 CG PHE A 113 -8.375 19.336 -1.531 1.00 0.88 C ATOM 1833 CD1 PHE A 113 -8.475 20.701 -1.309 1.00 0.99 C ATOM 1834 CD2 PHE A 113 -7.228 18.678 -1.117 1.00 0.87 C ATOM 1835 CE1 PHE A 113 -7.452 21.392 -0.689 1.00 1.05 C ATOM 1836 CE2 PHE A 113 -6.202 19.364 -0.497 1.00 0.94 C ATOM 1837 CZ PHE A 113 -6.314 20.722 -0.283 1.00 1.00 C ATOM 0 H PHE A 113 -7.307 18.696 -3.599 1.00 0.80 H new ATOM 0 HA PHE A 113 -10.013 17.666 -4.065 1.00 0.82 H new ATOM 0 HB2 PHE A 113 -10.440 19.047 -1.939 1.00 0.86 H new ATOM 0 HB3 PHE A 113 -9.516 17.564 -1.799 1.00 0.86 H new ATOM 0 HD1 PHE A 113 -9.362 21.230 -1.624 1.00 0.99 H new ATOM 0 HD2 PHE A 113 -7.135 17.615 -1.281 1.00 0.87 H new ATOM 0 HE1 PHE A 113 -7.542 22.455 -0.522 1.00 1.05 H new ATOM 0 HE2 PHE A 113 -5.314 18.838 -0.180 1.00 0.94 H new ATOM 0 HZ PHE A 113 -5.513 21.261 0.201 1.00 1.00 H new ATOM 1847 N GLY A 114 -9.831 19.827 -5.716 1.00 0.90 N ATOM 1848 CA GLY A 114 -10.301 20.990 -6.442 1.00 0.99 C ATOM 1849 C GLY A 114 -11.800 21.160 -6.318 1.00 1.01 C ATOM 1850 O GLY A 114 -12.284 22.234 -5.954 1.00 1.09 O ATOM 0 H GLY A 114 -9.452 19.082 -6.300 1.00 0.90 H new ATOM 0 HA2 GLY A 114 -9.801 21.882 -6.063 1.00 0.99 H new ATOM 0 HA3 GLY A 114 -10.031 20.896 -7.494 1.00 0.99 H new ATOM 1854 N HIS A 115 -12.537 20.094 -6.618 1.00 0.98 N ATOM 1855 CA HIS A 115 -13.995 20.117 -6.537 1.00 1.03 C ATOM 1856 C HIS A 115 -14.537 18.720 -6.250 1.00 0.98 C ATOM 1857 O HIS A 115 -15.025 18.448 -5.152 1.00 0.98 O ATOM 1858 CB HIS A 115 -14.606 20.656 -7.837 1.00 1.13 C ATOM 1859 CG HIS A 115 -14.162 22.039 -8.182 1.00 1.21 C ATOM 1860 ND1 HIS A 115 -13.127 22.300 -9.055 1.00 1.32 N ATOM 1861 CD2 HIS A 115 -14.615 23.243 -7.769 1.00 1.32 C ATOM 1862 CE1 HIS A 115 -12.964 23.605 -9.159 1.00 1.41 C ATOM 1863 NE2 HIS A 115 -13.853 24.198 -8.390 1.00 1.40 N ATOM 0 H HIS A 115 -12.147 19.201 -6.920 1.00 0.98 H new ATOM 0 HA HIS A 115 -14.275 20.781 -5.719 1.00 1.03 H new ATOM 0 HB2 HIS A 115 -14.345 19.986 -8.656 1.00 1.13 H new ATOM 0 HB3 HIS A 115 -15.692 20.644 -7.749 1.00 1.13 H new ATOM 0 HD2 HIS A 115 -15.426 23.420 -7.078 1.00 1.32 H new ATOM 0 HE1 HIS A 115 -12.226 24.103 -9.771 1.00 1.41 H new ATOM 0 HE2 HIS A 115 -13.958 25.206 -8.275 1.00 1.40 H new ATOM 1872 N VAL A 116 -14.432 17.831 -7.233 1.00 0.97 N ATOM 1873 CA VAL A 116 -14.920 16.467 -7.087 1.00 0.95 C ATOM 1874 C VAL A 116 -14.000 15.478 -7.793 1.00 0.92 C ATOM 1875 O VAL A 116 -13.646 15.668 -8.961 1.00 1.03 O ATOM 1876 CB VAL A 116 -16.350 16.313 -7.653 1.00 1.01 C ATOM 1877 CG1 VAL A 116 -17.333 17.173 -6.875 1.00 1.05 C ATOM 1878 CG2 VAL A 116 -16.389 16.667 -9.134 1.00 1.07 C ATOM 0 H VAL A 116 -14.012 18.033 -8.140 1.00 0.97 H new ATOM 0 HA VAL A 116 -14.936 16.251 -6.019 1.00 0.95 H new ATOM 0 HB VAL A 116 -16.644 15.269 -7.543 1.00 1.01 H new ATOM 0 HG11 VAL A 116 -18.333 17.049 -7.291 1.00 1.05 H new ATOM 0 HG12 VAL A 116 -17.334 16.868 -5.829 1.00 1.05 H new ATOM 0 HG13 VAL A 116 -17.037 18.220 -6.947 1.00 1.05 H new ATOM 0 HG21 VAL A 116 -17.406 16.551 -9.509 1.00 1.07 H new ATOM 0 HG22 VAL A 116 -16.068 17.700 -9.270 1.00 1.07 H new ATOM 0 HG23 VAL A 116 -15.721 16.004 -9.684 1.00 1.07 H new ATOM 1888 N THR A 117 -13.609 14.433 -7.084 1.00 0.87 N ATOM 1889 CA THR A 117 -12.741 13.412 -7.638 1.00 0.85 C ATOM 1890 C THR A 117 -13.579 12.237 -8.139 1.00 0.86 C ATOM 1891 O THR A 117 -13.979 11.363 -7.364 1.00 0.85 O ATOM 1892 CB THR A 117 -11.720 12.919 -6.593 1.00 0.82 C ATOM 1893 OG1 THR A 117 -11.336 14.007 -5.738 1.00 0.87 O ATOM 1894 CG2 THR A 117 -10.486 12.345 -7.275 1.00 0.84 C ATOM 0 H THR A 117 -13.883 14.270 -6.115 1.00 0.87 H new ATOM 0 HA THR A 117 -12.190 13.850 -8.470 1.00 0.85 H new ATOM 0 HB THR A 117 -12.186 12.134 -5.998 1.00 0.82 H new ATOM 0 HG1 THR A 117 -12.058 14.194 -5.102 1.00 0.87 H new ATOM 0 HG21 THR A 117 -9.779 12.003 -6.519 1.00 0.84 H new ATOM 0 HG22 THR A 117 -10.777 11.505 -7.906 1.00 0.84 H new ATOM 0 HG23 THR A 117 -10.018 13.115 -7.888 1.00 0.84 H new ATOM 1902 N GLU A 118 -13.871 12.246 -9.431 1.00 0.91 N ATOM 1903 CA GLU A 118 -14.669 11.197 -10.048 1.00 0.95 C ATOM 1904 C GLU A 118 -13.818 10.413 -11.040 1.00 0.95 C ATOM 1905 O GLU A 118 -13.128 11.002 -11.879 1.00 1.02 O ATOM 1906 CB GLU A 118 -15.891 11.806 -10.743 1.00 1.04 C ATOM 1907 CG GLU A 118 -16.664 12.774 -9.855 1.00 1.08 C ATOM 1908 CD GLU A 118 -17.878 13.371 -10.539 1.00 1.22 C ATOM 1909 OE1 GLU A 118 -18.966 12.768 -10.460 1.00 1.38 O ATOM 1910 OE2 GLU A 118 -17.749 14.441 -11.167 1.00 1.34 O ATOM 0 H GLU A 118 -13.565 12.974 -10.077 1.00 0.91 H new ATOM 0 HA GLU A 118 -15.020 10.512 -9.276 1.00 0.95 H new ATOM 0 HB2 GLU A 118 -15.567 12.328 -11.643 1.00 1.04 H new ATOM 0 HB3 GLU A 118 -16.557 11.004 -11.062 1.00 1.04 H new ATOM 0 HG2 GLU A 118 -16.983 12.253 -8.952 1.00 1.08 H new ATOM 0 HG3 GLU A 118 -15.999 13.579 -9.541 1.00 1.08 H new ATOM 1917 N GLU A 119 -13.857 9.090 -10.934 1.00 0.92 N ATOM 1918 CA GLU A 119 -13.075 8.226 -11.811 1.00 0.94 C ATOM 1919 C GLU A 119 -13.477 6.762 -11.635 1.00 0.92 C ATOM 1920 O GLU A 119 -14.050 6.381 -10.608 1.00 0.92 O ATOM 1921 CB GLU A 119 -11.578 8.398 -11.525 1.00 0.91 C ATOM 1922 CG GLU A 119 -11.244 8.412 -10.041 1.00 0.93 C ATOM 1923 CD GLU A 119 -9.769 8.612 -9.756 1.00 0.88 C ATOM 1924 OE1 GLU A 119 -9.119 9.414 -10.462 1.00 1.07 O ATOM 1925 OE2 GLU A 119 -9.253 7.967 -8.819 1.00 0.87 O ATOM 0 H GLU A 119 -14.423 8.591 -10.248 1.00 0.92 H new ATOM 0 HA GLU A 119 -13.277 8.515 -12.842 1.00 0.94 H new ATOM 0 HB2 GLU A 119 -11.029 7.589 -12.006 1.00 0.91 H new ATOM 0 HB3 GLU A 119 -11.234 9.329 -11.976 1.00 0.91 H new ATOM 0 HG2 GLU A 119 -11.811 9.207 -9.556 1.00 0.93 H new ATOM 0 HG3 GLU A 119 -11.568 7.472 -9.595 1.00 0.93 H new ATOM 1932 N TRP A 120 -13.183 5.947 -12.642 1.00 0.94 N ATOM 1933 CA TRP A 120 -13.505 4.526 -12.599 1.00 0.95 C ATOM 1934 C TRP A 120 -12.336 3.750 -11.995 1.00 0.91 C ATOM 1935 O TRP A 120 -11.550 3.120 -12.710 1.00 1.04 O ATOM 1936 CB TRP A 120 -13.839 4.007 -14.002 1.00 1.03 C ATOM 1937 CG TRP A 120 -14.827 4.865 -14.743 1.00 1.10 C ATOM 1938 CD1 TRP A 120 -14.841 5.120 -16.083 1.00 1.22 C ATOM 1939 CD2 TRP A 120 -15.936 5.582 -14.187 1.00 1.10 C ATOM 1940 NE1 TRP A 120 -15.890 5.948 -16.394 1.00 1.29 N ATOM 1941 CE2 TRP A 120 -16.576 6.249 -15.249 1.00 1.21 C ATOM 1942 CE3 TRP A 120 -16.446 5.731 -12.895 1.00 1.08 C ATOM 1943 CZ2 TRP A 120 -17.705 7.042 -15.058 1.00 1.26 C ATOM 1944 CZ3 TRP A 120 -17.565 6.519 -12.706 1.00 1.15 C ATOM 1945 CH2 TRP A 120 -18.183 7.170 -13.782 1.00 1.23 C ATOM 0 H TRP A 120 -12.721 6.248 -13.500 1.00 0.94 H new ATOM 0 HA TRP A 120 -14.384 4.379 -11.971 1.00 0.95 H new ATOM 0 HB2 TRP A 120 -12.920 3.941 -14.584 1.00 1.03 H new ATOM 0 HB3 TRP A 120 -14.238 2.996 -13.921 1.00 1.03 H new ATOM 0 HD1 TRP A 120 -14.130 4.727 -16.795 1.00 1.22 H new ATOM 0 HE1 TRP A 120 -16.121 6.285 -17.329 1.00 1.29 H new ATOM 0 HE3 TRP A 120 -15.974 5.238 -12.058 1.00 1.08 H new ATOM 0 HZ2 TRP A 120 -18.186 7.538 -15.888 1.00 1.26 H new ATOM 0 HZ3 TRP A 120 -17.970 6.635 -11.712 1.00 1.15 H new ATOM 0 HH2 TRP A 120 -19.053 7.784 -13.601 1.00 1.23 H new ATOM 1956 N ARG A 121 -12.232 3.827 -10.673 1.00 0.85 N ATOM 1957 CA ARG A 121 -11.165 3.172 -9.923 1.00 0.81 C ATOM 1958 C ARG A 121 -11.107 1.667 -10.176 1.00 0.84 C ATOM 1959 O ARG A 121 -12.138 0.991 -10.271 1.00 0.87 O ATOM 1960 CB ARG A 121 -11.350 3.449 -8.429 1.00 0.77 C ATOM 1961 CG ARG A 121 -10.411 2.674 -7.510 1.00 0.78 C ATOM 1962 CD ARG A 121 -8.947 2.958 -7.810 1.00 0.80 C ATOM 1963 NE ARG A 121 -8.700 4.358 -8.172 1.00 0.80 N ATOM 1964 CZ ARG A 121 -7.755 4.758 -9.032 1.00 0.94 C ATOM 1965 NH1 ARG A 121 -6.986 3.867 -9.663 1.00 1.07 N ATOM 1966 NH2 ARG A 121 -7.594 6.053 -9.287 1.00 1.03 N ATOM 0 H ARG A 121 -12.887 4.347 -10.089 1.00 0.85 H new ATOM 0 HA ARG A 121 -10.218 3.586 -10.268 1.00 0.81 H new ATOM 0 HB2 ARG A 121 -11.209 4.515 -8.252 1.00 0.77 H new ATOM 0 HB3 ARG A 121 -12.378 3.213 -8.155 1.00 0.77 H new ATOM 0 HG2 ARG A 121 -10.624 2.934 -6.473 1.00 0.78 H new ATOM 0 HG3 ARG A 121 -10.601 1.606 -7.617 1.00 0.78 H new ATOM 0 HD2 ARG A 121 -8.346 2.702 -6.937 1.00 0.80 H new ATOM 0 HD3 ARG A 121 -8.617 2.314 -8.625 1.00 0.80 H new ATOM 0 HE ARG A 121 -9.286 5.073 -7.741 1.00 0.80 H new ATOM 0 HH11 ARG A 121 -7.115 2.870 -9.492 1.00 1.07 H new ATOM 0 HH12 ARG A 121 -6.269 4.184 -10.316 1.00 1.07 H new ATOM 0 HH21 ARG A 121 -8.190 6.741 -8.827 1.00 1.03 H new ATOM 0 HH22 ARG A 121 -6.874 6.358 -9.942 1.00 1.03 H new ATOM 1980 N ASP A 122 -9.885 1.169 -10.294 1.00 0.84 N ATOM 1981 CA ASP A 122 -9.620 -0.246 -10.506 1.00 0.89 C ATOM 1982 C ASP A 122 -9.616 -0.982 -9.169 1.00 0.81 C ATOM 1983 O ASP A 122 -9.330 -0.385 -8.126 1.00 0.78 O ATOM 1984 CB ASP A 122 -8.261 -0.429 -11.198 1.00 0.97 C ATOM 1985 CG ASP A 122 -7.099 0.112 -10.375 1.00 0.95 C ATOM 1986 OD1 ASP A 122 -7.147 1.302 -9.972 1.00 0.94 O ATOM 1987 OD2 ASP A 122 -6.126 -0.640 -10.145 1.00 1.02 O ATOM 0 H ASP A 122 -9.042 1.741 -10.245 1.00 0.84 H new ATOM 0 HA ASP A 122 -10.404 -0.658 -11.141 1.00 0.89 H new ATOM 0 HB2 ASP A 122 -8.099 -1.489 -11.394 1.00 0.97 H new ATOM 0 HB3 ASP A 122 -8.280 0.074 -12.165 1.00 0.97 H new ATOM 1992 N LEU A 123 -9.947 -2.268 -9.197 1.00 0.83 N ATOM 1993 CA LEU A 123 -9.975 -3.078 -7.987 1.00 0.78 C ATOM 1994 C LEU A 123 -8.950 -4.207 -8.064 1.00 0.81 C ATOM 1995 O LEU A 123 -8.936 -4.990 -9.024 1.00 0.89 O ATOM 1996 CB LEU A 123 -11.372 -3.656 -7.761 1.00 0.78 C ATOM 1997 CG LEU A 123 -12.440 -2.650 -7.329 1.00 0.77 C ATOM 1998 CD1 LEU A 123 -13.806 -3.322 -7.268 1.00 0.81 C ATOM 1999 CD2 LEU A 123 -12.081 -2.040 -5.981 1.00 0.75 C ATOM 0 H LEU A 123 -10.200 -2.772 -10.047 1.00 0.83 H new ATOM 0 HA LEU A 123 -9.719 -2.434 -7.146 1.00 0.78 H new ATOM 0 HB2 LEU A 123 -11.701 -4.135 -8.683 1.00 0.78 H new ATOM 0 HB3 LEU A 123 -11.305 -4.436 -7.003 1.00 0.78 H new ATOM 0 HG LEU A 123 -12.483 -1.849 -8.067 1.00 0.77 H new ATOM 0 HD11 LEU A 123 -14.556 -2.594 -6.959 1.00 0.81 H new ATOM 0 HD12 LEU A 123 -14.063 -3.713 -8.252 1.00 0.81 H new ATOM 0 HD13 LEU A 123 -13.777 -4.140 -6.549 1.00 0.81 H new ATOM 0 HD21 LEU A 123 -12.851 -1.326 -5.688 1.00 0.75 H new ATOM 0 HD22 LEU A 123 -12.013 -2.828 -5.231 1.00 0.75 H new ATOM 0 HD23 LEU A 123 -11.122 -1.528 -6.057 1.00 0.75 H new ATOM 2011 N GLN A 124 -8.102 -4.297 -7.046 1.00 0.78 N ATOM 2012 CA GLN A 124 -7.074 -5.327 -6.992 1.00 0.82 C ATOM 2013 C GLN A 124 -7.278 -6.233 -5.778 1.00 0.78 C ATOM 2014 O GLN A 124 -7.690 -5.772 -4.709 1.00 0.74 O ATOM 2015 CB GLN A 124 -5.684 -4.687 -6.939 1.00 0.86 C ATOM 2016 CG GLN A 124 -5.430 -3.879 -5.673 1.00 1.04 C ATOM 2017 CD GLN A 124 -4.083 -3.178 -5.674 1.00 1.07 C ATOM 2018 OE1 GLN A 124 -3.119 -3.653 -6.278 1.00 1.42 O ATOM 2019 NE2 GLN A 124 -4.006 -2.045 -4.990 1.00 1.42 N ATOM 0 H GLN A 124 -8.107 -3.666 -6.245 1.00 0.78 H new ATOM 0 HA GLN A 124 -7.152 -5.934 -7.894 1.00 0.82 H new ATOM 0 HB2 GLN A 124 -4.930 -5.470 -7.017 1.00 0.86 H new ATOM 0 HB3 GLN A 124 -5.560 -4.037 -7.805 1.00 0.86 H new ATOM 0 HG2 GLN A 124 -6.219 -3.136 -5.559 1.00 1.04 H new ATOM 0 HG3 GLN A 124 -5.488 -4.541 -4.809 1.00 1.04 H new ATOM 0 HE21 GLN A 124 -4.828 -1.686 -4.504 1.00 1.42 H new ATOM 0 HE22 GLN A 124 -3.125 -1.532 -4.950 1.00 1.42 H new ATOM 2028 N SER A 125 -7.007 -7.521 -5.958 1.00 0.84 N ATOM 2029 CA SER A 125 -7.139 -8.498 -4.881 1.00 0.84 C ATOM 2030 C SER A 125 -6.107 -8.218 -3.791 1.00 0.81 C ATOM 2031 O SER A 125 -5.044 -7.659 -4.072 1.00 1.10 O ATOM 2032 CB SER A 125 -6.951 -9.912 -5.435 1.00 0.97 C ATOM 2033 OG SER A 125 -7.322 -9.971 -6.804 1.00 1.08 O ATOM 0 H SER A 125 -6.693 -7.915 -6.845 1.00 0.84 H new ATOM 0 HA SER A 125 -8.136 -8.418 -4.448 1.00 0.84 H new ATOM 0 HB2 SER A 125 -5.910 -10.216 -5.322 1.00 0.97 H new ATOM 0 HB3 SER A 125 -7.553 -10.616 -4.860 1.00 0.97 H new ATOM 0 HG SER A 125 -8.299 -9.993 -6.878 1.00 1.08 H new ATOM 2039 N ALA A 126 -6.411 -8.612 -2.560 1.00 0.87 N ATOM 2040 CA ALA A 126 -5.504 -8.374 -1.444 1.00 0.91 C ATOM 2041 C ALA A 126 -5.312 -9.629 -0.598 1.00 0.83 C ATOM 2042 O ALA A 126 -6.185 -9.992 0.191 1.00 1.10 O ATOM 2043 CB ALA A 126 -6.022 -7.228 -0.588 1.00 1.17 C ATOM 0 H ALA A 126 -7.274 -9.095 -2.310 1.00 0.87 H new ATOM 0 HA ALA A 126 -4.531 -8.103 -1.853 1.00 0.91 H new ATOM 0 HB1 ALA A 126 -5.338 -7.057 0.243 1.00 1.17 H new ATOM 0 HB2 ALA A 126 -6.091 -6.324 -1.193 1.00 1.17 H new ATOM 0 HB3 ALA A 126 -7.009 -7.481 -0.200 1.00 1.17 H new ATOM 2049 N GLU A 127 -4.170 -10.289 -0.769 1.00 0.72 N ATOM 2050 CA GLU A 127 -3.862 -11.492 -0.004 1.00 0.73 C ATOM 2051 C GLU A 127 -3.677 -11.130 1.468 1.00 0.81 C ATOM 2052 O GLU A 127 -2.626 -10.619 1.861 1.00 1.06 O ATOM 2053 CB GLU A 127 -2.596 -12.174 -0.536 1.00 0.83 C ATOM 2054 CG GLU A 127 -2.663 -12.542 -2.008 1.00 0.83 C ATOM 2055 CD GLU A 127 -1.505 -13.422 -2.432 1.00 0.85 C ATOM 2056 OE1 GLU A 127 -0.399 -12.886 -2.663 1.00 1.22 O ATOM 2057 OE2 GLU A 127 -1.682 -14.655 -2.518 1.00 1.17 O ATOM 0 H GLU A 127 -3.444 -10.011 -1.430 1.00 0.72 H new ATOM 0 HA GLU A 127 -4.693 -12.189 -0.108 1.00 0.73 H new ATOM 0 HB2 GLU A 127 -1.745 -11.512 -0.376 1.00 0.83 H new ATOM 0 HB3 GLU A 127 -2.411 -13.077 0.045 1.00 0.83 H new ATOM 0 HG2 GLU A 127 -3.602 -13.058 -2.209 1.00 0.83 H new ATOM 0 HG3 GLU A 127 -2.664 -11.632 -2.608 1.00 0.83 H new ATOM 2064 N LYS A 128 -4.709 -11.366 2.265 1.00 0.87 N ATOM 2065 CA LYS A 128 -4.669 -11.060 3.688 1.00 1.03 C ATOM 2066 C LYS A 128 -4.802 -12.335 4.510 1.00 1.17 C ATOM 2067 O LYS A 128 -3.933 -12.589 5.364 1.00 1.46 O ATOM 2068 CB LYS A 128 -5.787 -10.078 4.050 1.00 1.16 C ATOM 2069 CG LYS A 128 -5.766 -8.800 3.223 1.00 1.12 C ATOM 2070 CD LYS A 128 -4.544 -7.944 3.534 1.00 1.11 C ATOM 2071 CE LYS A 128 -4.466 -6.722 2.628 1.00 1.24 C ATOM 2072 NZ LYS A 128 -5.696 -5.888 2.697 1.00 1.44 N ATOM 2073 OXT LYS A 128 -5.777 -13.085 4.293 1.00 1.49 O ATOM 0 H LYS A 128 -5.590 -11.771 1.948 1.00 0.87 H new ATOM 0 HA LYS A 128 -3.708 -10.598 3.917 1.00 1.03 H new ATOM 0 HB2 LYS A 128 -6.750 -10.571 3.917 1.00 1.16 H new ATOM 0 HB3 LYS A 128 -5.704 -9.819 5.106 1.00 1.16 H new ATOM 0 HG2 LYS A 128 -5.772 -9.053 2.163 1.00 1.12 H new ATOM 0 HG3 LYS A 128 -6.671 -8.226 3.419 1.00 1.12 H new ATOM 0 HD2 LYS A 128 -4.580 -7.623 4.575 1.00 1.11 H new ATOM 0 HD3 LYS A 128 -3.641 -8.543 3.416 1.00 1.11 H new ATOM 0 HE2 LYS A 128 -3.604 -6.118 2.910 1.00 1.24 H new ATOM 0 HE3 LYS A 128 -4.306 -7.045 1.599 1.00 1.24 H new ATOM 0 HZ1 LYS A 128 -5.539 -4.995 2.187 1.00 1.44 H new ATOM 0 HZ2 LYS A 128 -6.488 -6.401 2.261 1.00 1.44 H new ATOM 0 HZ3 LYS A 128 -5.921 -5.683 3.691 1.00 1.44 H new ATOM 2088 N TYR B 1 26.312 14.098 -3.601 1.00 0.91 N ATOM 2089 CA TYR B 1 25.562 14.706 -2.476 1.00 0.87 C ATOM 2090 C TYR B 1 24.635 13.666 -1.847 1.00 0.80 C ATOM 2091 O TYR B 1 23.411 13.794 -1.911 1.00 0.82 O ATOM 2092 CB TYR B 1 24.752 15.906 -2.985 1.00 0.91 C ATOM 2093 CG TYR B 1 24.263 16.836 -1.898 1.00 0.92 C ATOM 2094 CD1 TYR B 1 25.136 17.355 -0.952 1.00 1.06 C ATOM 2095 CD2 TYR B 1 22.924 17.201 -1.825 1.00 0.97 C ATOM 2096 CE1 TYR B 1 24.690 18.209 0.039 1.00 1.12 C ATOM 2097 CE2 TYR B 1 22.469 18.053 -0.840 1.00 1.02 C ATOM 2098 CZ TYR B 1 23.353 18.555 0.090 1.00 1.04 C ATOM 2099 OH TYR B 1 22.897 19.403 1.079 1.00 1.14 O ATOM 0 H1 TYR B 1 27.013 14.778 -3.959 1.00 0.91 H new ATOM 0 H2 TYR B 1 26.799 13.241 -3.270 1.00 0.91 H new ATOM 0 H3 TYR B 1 25.651 13.848 -4.364 1.00 0.91 H new ATOM 0 HA TYR B 1 26.264 15.051 -1.717 1.00 0.87 H new ATOM 0 HB2 TYR B 1 25.367 16.474 -3.683 1.00 0.91 H new ATOM 0 HB3 TYR B 1 23.892 15.537 -3.545 1.00 0.91 H new ATOM 0 HD1 TYR B 1 26.181 17.087 -0.991 1.00 1.06 H new ATOM 0 HD2 TYR B 1 22.227 16.811 -2.552 1.00 0.97 H new ATOM 0 HE1 TYR B 1 25.382 18.603 0.769 1.00 1.12 H new ATOM 0 HE2 TYR B 1 21.425 18.325 -0.798 1.00 1.02 H new ATOM 0 HH TYR B 1 22.129 19.913 0.745 1.00 1.14 H new ATOM 2111 N LYS B 2 25.228 12.640 -1.233 1.00 0.81 N ATOM 2112 CA LYS B 2 24.457 11.565 -0.613 1.00 0.81 C ATOM 2113 C LYS B 2 23.445 12.124 0.389 1.00 0.77 C ATOM 2114 O LYS B 2 23.788 12.485 1.522 1.00 0.85 O ATOM 2115 CB LYS B 2 25.383 10.536 0.057 1.00 0.90 C ATOM 2116 CG LYS B 2 26.104 11.049 1.294 1.00 1.00 C ATOM 2117 CD LYS B 2 25.599 10.365 2.559 1.00 1.14 C ATOM 2118 CE LYS B 2 25.749 11.257 3.780 1.00 1.24 C ATOM 2119 NZ LYS B 2 24.596 12.183 3.938 1.00 1.19 N ATOM 0 H LYS B 2 26.239 12.533 -1.153 1.00 0.81 H new ATOM 0 HA LYS B 2 23.903 11.054 -1.401 1.00 0.81 H new ATOM 0 HB2 LYS B 2 24.794 9.661 0.332 1.00 0.90 H new ATOM 0 HB3 LYS B 2 26.125 10.206 -0.670 1.00 0.90 H new ATOM 0 HG2 LYS B 2 27.175 10.877 1.189 1.00 1.00 H new ATOM 0 HG3 LYS B 2 25.961 12.126 1.380 1.00 1.00 H new ATOM 0 HD2 LYS B 2 24.551 10.095 2.433 1.00 1.14 H new ATOM 0 HD3 LYS B 2 26.150 9.438 2.716 1.00 1.14 H new ATOM 0 HE2 LYS B 2 25.842 10.638 4.672 1.00 1.24 H new ATOM 0 HE3 LYS B 2 26.669 11.835 3.696 1.00 1.24 H new ATOM 0 HZ1 LYS B 2 24.895 13.021 4.476 1.00 1.19 H new ATOM 0 HZ2 LYS B 2 24.256 12.477 3.000 1.00 1.19 H new ATOM 0 HZ3 LYS B 2 23.830 11.699 4.449 1.00 1.19 H new ATOM 2133 N LYS B 3 22.202 12.201 -0.049 1.00 0.72 N ATOM 2134 CA LYS B 3 21.113 12.717 0.766 1.00 0.71 C ATOM 2135 C LYS B 3 19.796 12.071 0.325 1.00 0.66 C ATOM 2136 O LYS B 3 19.828 11.129 -0.470 1.00 0.63 O ATOM 2137 CB LYS B 3 21.076 14.246 0.639 1.00 0.75 C ATOM 2138 CG LYS B 3 21.478 14.958 1.923 1.00 0.84 C ATOM 2139 CD LYS B 3 21.271 16.460 1.827 1.00 0.91 C ATOM 2140 CE LYS B 3 21.727 17.162 3.098 1.00 1.04 C ATOM 2141 NZ LYS B 3 21.543 18.636 3.021 1.00 1.10 N ATOM 0 H LYS B 3 21.916 11.907 -0.983 1.00 0.72 H new ATOM 0 HA LYS B 3 21.266 12.469 1.816 1.00 0.71 H new ATOM 0 HB2 LYS B 3 21.743 14.555 -0.166 1.00 0.75 H new ATOM 0 HB3 LYS B 3 20.070 14.558 0.356 1.00 0.75 H new ATOM 0 HG2 LYS B 3 20.894 14.564 2.755 1.00 0.84 H new ATOM 0 HG3 LYS B 3 22.525 14.749 2.141 1.00 0.84 H new ATOM 0 HD2 LYS B 3 21.824 16.852 0.974 1.00 0.91 H new ATOM 0 HD3 LYS B 3 20.217 16.674 1.649 1.00 0.91 H new ATOM 0 HE2 LYS B 3 21.167 16.771 3.948 1.00 1.04 H new ATOM 0 HE3 LYS B 3 22.778 16.937 3.278 1.00 1.04 H new ATOM 0 HZ1 LYS B 3 21.671 19.052 3.966 1.00 1.10 H new ATOM 0 HZ2 LYS B 3 22.244 19.040 2.367 1.00 1.10 H new ATOM 0 HZ3 LYS B 3 20.585 18.849 2.676 1.00 1.10 H new ATOM 2155 N PRO B 4 18.628 12.543 0.831 1.00 0.69 N ATOM 2156 CA PRO B 4 17.313 12.020 0.496 1.00 0.68 C ATOM 2157 C PRO B 4 17.289 11.136 -0.753 1.00 0.63 C ATOM 2158 O PRO B 4 17.309 11.624 -1.887 1.00 0.70 O ATOM 2159 CB PRO B 4 16.533 13.321 0.293 1.00 0.81 C ATOM 2160 CG PRO B 4 17.186 14.315 1.220 1.00 0.89 C ATOM 2161 CD PRO B 4 18.440 13.660 1.764 1.00 0.77 C ATOM 0 HA PRO B 4 16.912 11.351 1.257 1.00 0.68 H new ATOM 0 HB2 PRO B 4 16.585 13.655 -0.743 1.00 0.81 H new ATOM 0 HB3 PRO B 4 15.478 13.191 0.534 1.00 0.81 H new ATOM 0 HG2 PRO B 4 17.431 15.234 0.688 1.00 0.89 H new ATOM 0 HG3 PRO B 4 16.510 14.587 2.031 1.00 0.89 H new ATOM 0 HD2 PRO B 4 19.291 14.342 1.762 1.00 0.77 H new ATOM 0 HD3 PRO B 4 18.309 13.317 2.790 1.00 0.77 H new ATOM 2169 N LYS B 5 17.258 9.826 -0.522 1.00 0.55 N ATOM 2170 CA LYS B 5 17.230 8.849 -1.597 1.00 0.56 C ATOM 2171 C LYS B 5 15.792 8.392 -1.837 1.00 0.54 C ATOM 2172 O LYS B 5 15.093 8.006 -0.895 1.00 0.68 O ATOM 2173 CB LYS B 5 18.107 7.631 -1.250 1.00 0.58 C ATOM 2174 CG LYS B 5 19.426 7.973 -0.562 1.00 0.68 C ATOM 2175 CD LYS B 5 20.485 8.421 -1.559 1.00 0.70 C ATOM 2176 CE LYS B 5 21.849 8.597 -0.903 1.00 0.69 C ATOM 2177 NZ LYS B 5 22.245 7.419 -0.077 1.00 0.68 N ATOM 0 H LYS B 5 17.252 9.417 0.413 1.00 0.55 H new ATOM 0 HA LYS B 5 17.624 9.315 -2.500 1.00 0.56 H new ATOM 0 HB2 LYS B 5 17.538 6.962 -0.604 1.00 0.58 H new ATOM 0 HB3 LYS B 5 18.322 7.082 -2.167 1.00 0.58 H new ATOM 0 HG2 LYS B 5 19.260 8.763 0.171 1.00 0.68 H new ATOM 0 HG3 LYS B 5 19.787 7.102 -0.015 1.00 0.68 H new ATOM 0 HD2 LYS B 5 20.561 7.687 -2.362 1.00 0.70 H new ATOM 0 HD3 LYS B 5 20.178 9.362 -2.015 1.00 0.70 H new ATOM 0 HE2 LYS B 5 22.600 8.764 -1.675 1.00 0.69 H new ATOM 0 HE3 LYS B 5 21.834 9.488 -0.275 1.00 0.69 H new ATOM 0 HZ1 LYS B 5 23.271 7.267 -0.158 1.00 0.68 H new ATOM 0 HZ2 LYS B 5 21.999 7.594 0.918 1.00 0.68 H new ATOM 0 HZ3 LYS B 5 21.742 6.574 -0.414 1.00 0.68 H new ATOM 2191 N LEU B 6 15.349 8.459 -3.088 1.00 0.47 N ATOM 2192 CA LEU B 6 13.999 8.040 -3.443 1.00 0.45 C ATOM 2193 C LEU B 6 14.054 6.722 -4.211 1.00 0.45 C ATOM 2194 O LEU B 6 14.857 6.572 -5.139 1.00 0.47 O ATOM 2195 CB LEU B 6 13.302 9.123 -4.273 1.00 0.49 C ATOM 2196 CG LEU B 6 11.771 9.033 -4.312 1.00 0.57 C ATOM 2197 CD1 LEU B 6 11.163 10.375 -4.687 1.00 0.64 C ATOM 2198 CD2 LEU B 6 11.321 7.961 -5.293 1.00 0.75 C ATOM 0 H LEU B 6 15.905 8.799 -3.872 1.00 0.47 H new ATOM 0 HA LEU B 6 13.421 7.891 -2.531 1.00 0.45 H new ATOM 0 HB2 LEU B 6 13.582 10.099 -3.876 1.00 0.49 H new ATOM 0 HB3 LEU B 6 13.679 9.074 -5.295 1.00 0.49 H new ATOM 0 HG LEU B 6 11.423 8.761 -3.315 1.00 0.57 H new ATOM 0 HD11 LEU B 6 10.077 10.289 -4.709 1.00 0.64 H new ATOM 0 HD12 LEU B 6 11.453 11.124 -3.950 1.00 0.64 H new ATOM 0 HD13 LEU B 6 11.523 10.675 -5.671 1.00 0.64 H new ATOM 0 HD21 LEU B 6 10.232 7.913 -5.306 1.00 0.75 H new ATOM 0 HD22 LEU B 6 11.685 8.205 -6.291 1.00 0.75 H new ATOM 0 HD23 LEU B 6 11.723 6.995 -4.986 1.00 0.75 H new ATOM 2210 N LEU B 7 13.210 5.773 -3.817 1.00 0.45 N ATOM 2211 CA LEU B 7 13.178 4.460 -4.454 1.00 0.46 C ATOM 2212 C LEU B 7 11.741 3.947 -4.589 1.00 0.44 C ATOM 2213 O LEU B 7 10.882 4.260 -3.762 1.00 0.47 O ATOM 2214 CB LEU B 7 14.020 3.475 -3.637 1.00 0.56 C ATOM 2215 CG LEU B 7 14.259 2.112 -4.290 1.00 0.60 C ATOM 2216 CD1 LEU B 7 15.167 2.253 -5.503 1.00 0.66 C ATOM 2217 CD2 LEU B 7 14.850 1.136 -3.285 1.00 0.72 C ATOM 0 H LEU B 7 12.538 5.889 -3.058 1.00 0.45 H new ATOM 0 HA LEU B 7 13.595 4.549 -5.457 1.00 0.46 H new ATOM 0 HB2 LEU B 7 14.987 3.934 -3.431 1.00 0.56 H new ATOM 0 HB3 LEU B 7 13.531 3.317 -2.676 1.00 0.56 H new ATOM 0 HG LEU B 7 13.300 1.717 -4.626 1.00 0.60 H new ATOM 0 HD11 LEU B 7 15.326 1.274 -5.954 1.00 0.66 H new ATOM 0 HD12 LEU B 7 14.701 2.917 -6.231 1.00 0.66 H new ATOM 0 HD13 LEU B 7 16.126 2.670 -5.194 1.00 0.66 H new ATOM 0 HD21 LEU B 7 15.013 0.172 -3.767 1.00 0.72 H new ATOM 0 HD22 LEU B 7 15.800 1.523 -2.917 1.00 0.72 H new ATOM 0 HD23 LEU B 7 14.161 1.012 -2.450 1.00 0.72 H new ATOM 2229 N TYR B 8 11.488 3.170 -5.642 1.00 0.46 N ATOM 2230 CA TYR B 8 10.164 2.602 -5.890 1.00 0.51 C ATOM 2231 C TYR B 8 10.213 1.624 -7.067 1.00 0.47 C ATOM 2232 O TYR B 8 11.061 1.763 -7.946 1.00 0.50 O ATOM 2233 CB TYR B 8 9.152 3.718 -6.184 1.00 0.62 C ATOM 2234 CG TYR B 8 9.406 4.453 -7.487 1.00 0.62 C ATOM 2235 CD1 TYR B 8 9.061 3.885 -8.709 1.00 0.79 C ATOM 2236 CD2 TYR B 8 9.990 5.711 -7.491 1.00 0.92 C ATOM 2237 CE1 TYR B 8 9.291 4.553 -9.895 1.00 1.10 C ATOM 2238 CE2 TYR B 8 10.223 6.386 -8.674 1.00 1.22 C ATOM 2239 CZ TYR B 8 9.873 5.802 -9.875 1.00 1.26 C ATOM 2240 OH TYR B 8 10.098 6.468 -11.059 1.00 1.67 O ATOM 0 H TYR B 8 12.188 2.919 -6.340 1.00 0.46 H new ATOM 0 HA TYR B 8 9.849 2.063 -4.996 1.00 0.51 H new ATOM 0 HB2 TYR B 8 8.150 3.289 -6.210 1.00 0.62 H new ATOM 0 HB3 TYR B 8 9.170 4.436 -5.364 1.00 0.62 H new ATOM 0 HD1 TYR B 8 8.606 2.906 -8.730 1.00 0.79 H new ATOM 0 HD2 TYR B 8 10.267 6.171 -6.554 1.00 0.92 H new ATOM 0 HE1 TYR B 8 9.016 4.098 -10.835 1.00 1.10 H new ATOM 0 HE2 TYR B 8 10.677 7.366 -8.659 1.00 1.22 H new ATOM 0 HH TYR B 8 10.047 7.435 -10.905 1.00 1.67 H new ATOM 2250 N CYS B 9 9.319 0.636 -7.079 1.00 0.54 N ATOM 2251 CA CYS B 9 9.279 -0.337 -8.170 1.00 0.53 C ATOM 2252 C CYS B 9 7.850 -0.591 -8.653 1.00 0.57 C ATOM 2253 O CYS B 9 7.035 -1.158 -7.928 1.00 0.83 O ATOM 2254 CB CYS B 9 9.907 -1.664 -7.753 1.00 0.58 C ATOM 2255 SG CYS B 9 10.015 -2.858 -9.109 1.00 0.64 S ATOM 0 H CYS B 9 8.618 0.489 -6.352 1.00 0.54 H new ATOM 0 HA CYS B 9 9.855 0.094 -8.989 1.00 0.53 H new ATOM 0 HB2 CYS B 9 10.907 -1.478 -7.360 1.00 0.58 H new ATOM 0 HB3 CYS B 9 9.321 -2.097 -6.942 1.00 0.58 H new ATOM 0 HG CYS B 9 10.945 -2.489 -9.939 1.00 0.64 H new ATOM 2261 N SER B 10 7.572 -0.143 -9.879 1.00 0.52 N ATOM 2262 CA SER B 10 6.271 -0.306 -10.536 1.00 0.56 C ATOM 2263 C SER B 10 6.144 0.752 -11.627 1.00 0.56 C ATOM 2264 O SER B 10 6.721 1.841 -11.504 1.00 0.81 O ATOM 2265 CB SER B 10 5.088 -0.199 -9.545 1.00 0.60 C ATOM 2266 OG SER B 10 4.328 0.988 -9.745 1.00 1.05 O ATOM 0 H SER B 10 8.255 0.351 -10.453 1.00 0.52 H new ATOM 0 HA SER B 10 6.226 -1.308 -10.964 1.00 0.56 H new ATOM 0 HB2 SER B 10 4.440 -1.068 -9.660 1.00 0.60 H new ATOM 0 HB3 SER B 10 5.468 -0.218 -8.524 1.00 0.60 H new ATOM 0 HG SER B 10 3.590 1.016 -9.101 1.00 1.05 H new ATOM 2272 N ASN B 11 5.401 0.448 -12.679 1.00 0.66 N ATOM 2273 CA ASN B 11 5.218 1.393 -13.776 1.00 0.72 C ATOM 2274 C ASN B 11 4.176 2.442 -13.402 1.00 0.66 C ATOM 2275 O ASN B 11 3.001 2.119 -13.214 1.00 0.85 O ATOM 2276 CB ASN B 11 4.795 0.666 -15.056 1.00 0.93 C ATOM 2277 CG ASN B 11 4.850 1.567 -16.280 1.00 1.10 C ATOM 2278 OD1 ASN B 11 4.669 2.782 -16.186 1.00 1.37 O ATOM 2279 ND2 ASN B 11 5.102 0.980 -17.438 1.00 1.37 N ATOM 0 H ASN B 11 4.916 -0.441 -12.799 1.00 0.66 H new ATOM 0 HA ASN B 11 6.171 1.889 -13.960 1.00 0.72 H new ATOM 0 HB2 ASN B 11 5.444 -0.195 -15.213 1.00 0.93 H new ATOM 0 HB3 ASN B 11 3.782 0.283 -14.935 1.00 0.93 H new ATOM 0 HD21 ASN B 11 5.152 1.536 -18.292 1.00 1.37 H new ATOM 0 HD22 ASN B 11 5.247 -0.029 -17.478 1.00 1.37 H new ATOM 2286 N GLY B 12 4.613 3.692 -13.283 1.00 0.70 N ATOM 2287 CA GLY B 12 3.712 4.775 -12.925 1.00 0.68 C ATOM 2288 C GLY B 12 4.183 5.516 -11.690 1.00 0.67 C ATOM 2289 O GLY B 12 4.937 4.967 -10.878 1.00 1.29 O ATOM 0 H GLY B 12 5.582 3.976 -13.429 1.00 0.70 H new ATOM 0 HA2 GLY B 12 3.633 5.472 -13.759 1.00 0.68 H new ATOM 0 HA3 GLY B 12 2.714 4.374 -12.749 1.00 0.68 H new ATOM 2293 N GLY B 13 3.751 6.759 -11.543 1.00 0.73 N ATOM 2294 CA GLY B 13 4.146 7.557 -10.399 1.00 0.71 C ATOM 2295 C GLY B 13 3.587 7.019 -9.096 1.00 0.68 C ATOM 2296 O GLY B 13 2.381 6.846 -8.963 1.00 0.93 O ATOM 0 H GLY B 13 3.130 7.233 -12.199 1.00 0.73 H new ATOM 0 HA2 GLY B 13 5.234 7.587 -10.339 1.00 0.71 H new ATOM 0 HA3 GLY B 13 3.806 8.583 -10.541 1.00 0.71 H new ATOM 2300 N HIS B 14 4.472 6.757 -8.139 1.00 0.55 N ATOM 2301 CA HIS B 14 4.095 6.240 -6.818 1.00 0.51 C ATOM 2302 C HIS B 14 5.363 6.093 -5.966 1.00 0.46 C ATOM 2303 O HIS B 14 6.007 5.044 -5.986 1.00 0.63 O ATOM 2304 CB HIS B 14 3.376 4.879 -6.932 1.00 0.54 C ATOM 2305 CG HIS B 14 1.872 4.945 -7.031 1.00 0.68 C ATOM 2306 ND1 HIS B 14 1.043 5.184 -5.954 1.00 0.83 N ATOM 2307 CD2 HIS B 14 1.047 4.782 -8.095 1.00 1.16 C ATOM 2308 CE1 HIS B 14 -0.215 5.163 -6.351 1.00 0.96 C ATOM 2309 NE2 HIS B 14 -0.241 4.923 -7.646 1.00 1.19 N ATOM 0 H HIS B 14 5.476 6.896 -8.254 1.00 0.55 H new ATOM 0 HA HIS B 14 3.404 6.940 -6.349 1.00 0.51 H new ATOM 0 HB2 HIS B 14 3.758 4.359 -7.810 1.00 0.54 H new ATOM 0 HB3 HIS B 14 3.639 4.275 -6.064 1.00 0.54 H new ATOM 0 HD1 HIS B 14 1.355 5.351 -4.997 1.00 0.83 H new ATOM 0 HD2 HIS B 14 1.350 4.578 -9.112 1.00 1.16 H new ATOM 0 HE1 HIS B 14 -1.078 5.317 -5.720 1.00 0.96 H new ATOM 2318 N PHE B 15 5.730 7.156 -5.249 1.00 0.41 N ATOM 2319 CA PHE B 15 6.939 7.155 -4.418 1.00 0.39 C ATOM 2320 C PHE B 15 6.657 6.621 -3.016 1.00 0.36 C ATOM 2321 O PHE B 15 5.605 6.881 -2.444 1.00 0.39 O ATOM 2322 CB PHE B 15 7.520 8.569 -4.316 1.00 0.41 C ATOM 2323 CG PHE B 15 7.644 9.276 -5.640 1.00 0.45 C ATOM 2324 CD1 PHE B 15 8.438 8.756 -6.651 1.00 0.51 C ATOM 2325 CD2 PHE B 15 6.962 10.459 -5.872 1.00 0.52 C ATOM 2326 CE1 PHE B 15 8.549 9.404 -7.868 1.00 0.58 C ATOM 2327 CE2 PHE B 15 7.070 11.112 -7.085 1.00 0.59 C ATOM 2328 CZ PHE B 15 7.863 10.583 -8.085 1.00 0.60 C ATOM 0 H PHE B 15 5.207 8.032 -5.226 1.00 0.41 H new ATOM 0 HA PHE B 15 7.662 6.496 -4.899 1.00 0.39 H new ATOM 0 HB2 PHE B 15 6.889 9.164 -3.656 1.00 0.41 H new ATOM 0 HB3 PHE B 15 8.504 8.514 -3.851 1.00 0.41 H new ATOM 0 HD1 PHE B 15 8.976 7.834 -6.486 1.00 0.51 H new ATOM 0 HD2 PHE B 15 6.338 10.876 -5.095 1.00 0.52 H new ATOM 0 HE1 PHE B 15 9.171 8.989 -8.647 1.00 0.58 H new ATOM 0 HE2 PHE B 15 6.535 12.035 -7.251 1.00 0.59 H new ATOM 0 HZ PHE B 15 7.946 11.090 -9.035 1.00 0.60 H new ATOM 2338 N LEU B 16 7.612 5.892 -2.460 1.00 0.35 N ATOM 2339 CA LEU B 16 7.460 5.316 -1.128 1.00 0.35 C ATOM 2340 C LEU B 16 7.344 6.408 -0.058 1.00 0.33 C ATOM 2341 O LEU B 16 8.332 7.066 0.276 1.00 0.37 O ATOM 2342 CB LEU B 16 8.655 4.408 -0.818 1.00 0.40 C ATOM 2343 CG LEU B 16 8.495 3.506 0.408 1.00 0.53 C ATOM 2344 CD1 LEU B 16 7.534 2.368 0.110 1.00 0.76 C ATOM 2345 CD2 LEU B 16 9.842 2.955 0.851 1.00 0.62 C ATOM 0 H LEU B 16 8.503 5.683 -2.910 1.00 0.35 H new ATOM 0 HA LEU B 16 6.541 4.731 -1.114 1.00 0.35 H new ATOM 0 HB2 LEU B 16 8.847 3.779 -1.688 1.00 0.40 H new ATOM 0 HB3 LEU B 16 9.537 5.033 -0.675 1.00 0.40 H new ATOM 0 HG LEU B 16 8.084 4.106 1.220 1.00 0.53 H new ATOM 0 HD11 LEU B 16 7.432 1.737 0.993 1.00 0.76 H new ATOM 0 HD12 LEU B 16 6.559 2.776 -0.159 1.00 0.76 H new ATOM 0 HD13 LEU B 16 7.920 1.774 -0.718 1.00 0.76 H new ATOM 0 HD21 LEU B 16 9.705 2.317 1.724 1.00 0.62 H new ATOM 0 HD22 LEU B 16 10.281 2.373 0.041 1.00 0.62 H new ATOM 0 HD23 LEU B 16 10.507 3.780 1.106 1.00 0.62 H new ATOM 2357 N ARG B 17 6.136 6.606 0.472 1.00 0.33 N ATOM 2358 CA ARG B 17 5.918 7.608 1.511 1.00 0.34 C ATOM 2359 C ARG B 17 6.131 6.970 2.878 1.00 0.34 C ATOM 2360 O ARG B 17 5.324 6.160 3.338 1.00 0.41 O ATOM 2361 CB ARG B 17 4.524 8.238 1.414 1.00 0.42 C ATOM 2362 CG ARG B 17 4.404 9.544 2.193 1.00 0.56 C ATOM 2363 CD ARG B 17 3.135 10.313 1.841 1.00 0.62 C ATOM 2364 NE ARG B 17 2.067 10.103 2.824 1.00 0.83 N ATOM 2365 CZ ARG B 17 1.176 9.109 2.762 1.00 0.99 C ATOM 2366 NH1 ARG B 17 1.202 8.246 1.762 1.00 0.93 N ATOM 2367 NH2 ARG B 17 0.246 8.987 3.702 1.00 1.49 N ATOM 0 H ARG B 17 5.300 6.089 0.200 1.00 0.33 H new ATOM 0 HA ARG B 17 6.638 8.414 1.369 1.00 0.34 H new ATOM 0 HB2 ARG B 17 4.287 8.423 0.366 1.00 0.42 H new ATOM 0 HB3 ARG B 17 3.784 7.530 1.787 1.00 0.42 H new ATOM 0 HG2 ARG B 17 4.411 9.329 3.262 1.00 0.56 H new ATOM 0 HG3 ARG B 17 5.273 10.168 1.987 1.00 0.56 H new ATOM 0 HD2 ARG B 17 3.363 11.377 1.777 1.00 0.62 H new ATOM 0 HD3 ARG B 17 2.786 10.002 0.856 1.00 0.62 H new ATOM 0 HE ARG B 17 2.000 10.757 3.604 1.00 0.83 H new ATOM 0 HH11 ARG B 17 1.906 8.335 1.029 1.00 0.93 H new ATOM 0 HH12 ARG B 17 0.518 7.490 1.723 1.00 0.93 H new ATOM 0 HH21 ARG B 17 0.211 9.653 4.474 1.00 1.49 H new ATOM 0 HH22 ARG B 17 -0.433 8.227 3.652 1.00 1.49 H new ATOM 2381 N ILE B 18 7.220 7.355 3.519 1.00 0.35 N ATOM 2382 CA ILE B 18 7.601 6.805 4.816 1.00 0.39 C ATOM 2383 C ILE B 18 7.050 7.629 5.978 1.00 0.39 C ATOM 2384 O ILE B 18 7.150 8.863 5.984 1.00 0.44 O ATOM 2385 CB ILE B 18 9.139 6.699 4.947 1.00 0.46 C ATOM 2386 CG1 ILE B 18 9.828 7.846 4.193 1.00 0.54 C ATOM 2387 CG2 ILE B 18 9.614 5.348 4.426 1.00 0.55 C ATOM 2388 CD1 ILE B 18 11.329 7.863 4.344 1.00 0.91 C ATOM 0 H ILE B 18 7.867 8.057 3.159 1.00 0.35 H new ATOM 0 HA ILE B 18 7.163 5.808 4.867 1.00 0.39 H new ATOM 0 HB ILE B 18 9.407 6.781 6.000 1.00 0.46 H new ATOM 0 HG12 ILE B 18 9.580 7.772 3.134 1.00 0.54 H new ATOM 0 HG13 ILE B 18 9.426 8.795 4.549 1.00 0.54 H new ATOM 0 HG21 ILE B 18 10.698 5.282 4.522 1.00 0.55 H new ATOM 0 HG22 ILE B 18 9.149 4.551 5.006 1.00 0.55 H new ATOM 0 HG23 ILE B 18 9.335 5.244 3.377 1.00 0.55 H new ATOM 0 HD11 ILE B 18 11.742 8.701 3.783 1.00 0.91 H new ATOM 0 HD12 ILE B 18 11.588 7.969 5.398 1.00 0.91 H new ATOM 0 HD13 ILE B 18 11.744 6.931 3.961 1.00 0.91 H new ATOM 2400 N LEU B 19 6.466 6.940 6.956 1.00 0.39 N ATOM 2401 CA LEU B 19 5.902 7.588 8.136 1.00 0.41 C ATOM 2402 C LEU B 19 6.380 6.876 9.402 1.00 0.43 C ATOM 2403 O LEU B 19 6.351 5.644 9.473 1.00 0.45 O ATOM 2404 CB LEU B 19 4.368 7.593 8.078 1.00 0.43 C ATOM 2405 CG LEU B 19 3.762 8.214 6.814 1.00 0.50 C ATOM 2406 CD1 LEU B 19 3.257 7.126 5.876 1.00 0.63 C ATOM 2407 CD2 LEU B 19 2.639 9.178 7.179 1.00 0.59 C ATOM 0 H LEU B 19 6.371 5.924 6.953 1.00 0.39 H new ATOM 0 HA LEU B 19 6.245 8.623 8.157 1.00 0.41 H new ATOM 0 HB2 LEU B 19 4.014 6.566 8.164 1.00 0.43 H new ATOM 0 HB3 LEU B 19 3.990 8.134 8.946 1.00 0.43 H new ATOM 0 HG LEU B 19 4.539 8.777 6.297 1.00 0.50 H new ATOM 0 HD11 LEU B 19 2.830 7.584 4.984 1.00 0.63 H new ATOM 0 HD12 LEU B 19 4.086 6.479 5.590 1.00 0.63 H new ATOM 0 HD13 LEU B 19 2.493 6.535 6.382 1.00 0.63 H new ATOM 0 HD21 LEU B 19 2.220 9.610 6.270 1.00 0.59 H new ATOM 0 HD22 LEU B 19 1.859 8.641 7.718 1.00 0.59 H new ATOM 0 HD23 LEU B 19 3.034 9.974 7.810 1.00 0.59 H new ATOM 2419 N PRO B 20 6.823 7.643 10.418 1.00 0.50 N ATOM 2420 CA PRO B 20 7.326 7.093 11.687 1.00 0.56 C ATOM 2421 C PRO B 20 6.471 5.950 12.234 1.00 0.52 C ATOM 2422 O PRO B 20 6.996 5.001 12.826 1.00 0.57 O ATOM 2423 CB PRO B 20 7.280 8.293 12.625 1.00 0.69 C ATOM 2424 CG PRO B 20 7.497 9.468 11.735 1.00 0.76 C ATOM 2425 CD PRO B 20 6.862 9.118 10.415 1.00 0.61 C ATOM 0 HA PRO B 20 8.316 6.653 11.569 1.00 0.56 H new ATOM 0 HB2 PRO B 20 6.322 8.357 13.141 1.00 0.69 H new ATOM 0 HB3 PRO B 20 8.052 8.228 13.392 1.00 0.69 H new ATOM 0 HG2 PRO B 20 7.046 10.365 12.158 1.00 0.76 H new ATOM 0 HG3 PRO B 20 8.561 9.673 11.613 1.00 0.76 H new ATOM 0 HD2 PRO B 20 5.862 9.544 10.328 1.00 0.61 H new ATOM 0 HD3 PRO B 20 7.446 9.500 9.577 1.00 0.61 H new ATOM 2433 N ASP B 21 5.156 6.051 12.041 1.00 0.51 N ATOM 2434 CA ASP B 21 4.221 5.024 12.505 1.00 0.58 C ATOM 2435 C ASP B 21 4.671 3.627 12.077 1.00 0.61 C ATOM 2436 O ASP B 21 4.616 2.679 12.864 1.00 0.75 O ATOM 2437 CB ASP B 21 2.812 5.302 11.962 1.00 0.60 C ATOM 2438 CG ASP B 21 1.972 4.042 11.831 1.00 1.43 C ATOM 2439 OD1 ASP B 21 2.083 3.353 10.796 1.00 2.04 O ATOM 2440 OD2 ASP B 21 1.197 3.735 12.758 1.00 2.05 O ATOM 0 H ASP B 21 4.712 6.836 11.565 1.00 0.51 H new ATOM 0 HA ASP B 21 4.204 5.060 13.594 1.00 0.58 H new ATOM 0 HB2 ASP B 21 2.305 6.004 12.624 1.00 0.60 H new ATOM 0 HB3 ASP B 21 2.892 5.783 10.987 1.00 0.60 H new ATOM 2445 N GLY B 22 5.105 3.507 10.826 1.00 0.57 N ATOM 2446 CA GLY B 22 5.546 2.226 10.310 1.00 0.67 C ATOM 2447 C GLY B 22 4.837 1.839 9.029 1.00 0.66 C ATOM 2448 O GLY B 22 5.394 1.111 8.200 1.00 1.04 O ATOM 0 H GLY B 22 5.159 4.277 10.160 1.00 0.57 H new ATOM 0 HA2 GLY B 22 6.620 2.261 10.130 1.00 0.67 H new ATOM 0 HA3 GLY B 22 5.374 1.457 11.063 1.00 0.67 H new ATOM 2452 N THR B 23 3.606 2.309 8.864 1.00 0.67 N ATOM 2453 CA THR B 23 2.833 2.014 7.667 1.00 0.71 C ATOM 2454 C THR B 23 3.248 2.945 6.531 1.00 0.69 C ATOM 2455 O THR B 23 2.990 4.147 6.580 1.00 1.14 O ATOM 2456 CB THR B 23 1.318 2.154 7.914 1.00 0.83 C ATOM 2457 OG1 THR B 23 0.987 1.723 9.248 1.00 0.93 O ATOM 2458 CG2 THR B 23 0.532 1.331 6.904 1.00 1.00 C ATOM 0 H THR B 23 3.123 2.896 9.545 1.00 0.67 H new ATOM 0 HA THR B 23 3.039 0.979 7.394 1.00 0.71 H new ATOM 0 HB THR B 23 1.051 3.205 7.799 1.00 0.83 H new ATOM 0 HG1 THR B 23 1.272 2.405 9.892 1.00 0.93 H new ATOM 0 HG21 THR B 23 -0.535 1.443 7.095 1.00 1.00 H new ATOM 0 HG22 THR B 23 0.759 1.679 5.896 1.00 1.00 H new ATOM 0 HG23 THR B 23 0.809 0.281 6.996 1.00 1.00 H new ATOM 2466 N VAL B 24 3.898 2.379 5.523 1.00 0.48 N ATOM 2467 CA VAL B 24 4.365 3.147 4.374 1.00 0.44 C ATOM 2468 C VAL B 24 3.677 2.675 3.091 1.00 0.42 C ATOM 2469 O VAL B 24 3.363 1.484 2.942 1.00 0.48 O ATOM 2470 CB VAL B 24 5.908 3.051 4.228 1.00 0.46 C ATOM 2471 CG1 VAL B 24 6.404 1.662 4.608 1.00 0.56 C ATOM 2472 CG2 VAL B 24 6.355 3.402 2.817 1.00 0.52 C ATOM 0 H VAL B 24 4.116 1.384 5.477 1.00 0.48 H new ATOM 0 HA VAL B 24 4.104 4.192 4.543 1.00 0.44 H new ATOM 0 HB VAL B 24 6.347 3.777 4.913 1.00 0.46 H new ATOM 0 HG11 VAL B 24 7.488 1.620 4.498 1.00 0.56 H new ATOM 0 HG12 VAL B 24 6.136 1.451 5.643 1.00 0.56 H new ATOM 0 HG13 VAL B 24 5.944 0.920 3.956 1.00 0.56 H new ATOM 0 HG21 VAL B 24 7.440 3.325 2.749 1.00 0.52 H new ATOM 0 HG22 VAL B 24 5.897 2.712 2.108 1.00 0.52 H new ATOM 0 HG23 VAL B 24 6.048 4.421 2.581 1.00 0.52 H new ATOM 2482 N ASP B 25 3.440 3.611 2.175 1.00 0.42 N ATOM 2483 CA ASP B 25 2.786 3.310 0.903 1.00 0.47 C ATOM 2484 C ASP B 25 3.451 4.063 -0.247 1.00 0.39 C ATOM 2485 O ASP B 25 4.370 4.859 -0.034 1.00 0.42 O ATOM 2486 CB ASP B 25 1.293 3.665 0.958 1.00 0.59 C ATOM 2487 CG ASP B 25 1.035 5.166 0.986 1.00 0.60 C ATOM 2488 OD1 ASP B 25 1.233 5.839 -0.055 1.00 0.60 O ATOM 2489 OD2 ASP B 25 0.616 5.678 2.048 1.00 0.70 O ATOM 0 H ASP B 25 3.693 4.592 2.291 1.00 0.42 H new ATOM 0 HA ASP B 25 2.889 2.239 0.727 1.00 0.47 H new ATOM 0 HB2 ASP B 25 0.791 3.232 0.093 1.00 0.59 H new ATOM 0 HB3 ASP B 25 0.850 3.210 1.844 1.00 0.59 H new ATOM 2494 N GLY B 26 2.982 3.803 -1.464 1.00 0.45 N ATOM 2495 CA GLY B 26 3.525 4.460 -2.633 1.00 0.41 C ATOM 2496 C GLY B 26 2.737 5.703 -3.002 1.00 0.38 C ATOM 2497 O GLY B 26 1.717 5.622 -3.687 1.00 0.59 O ATOM 0 H GLY B 26 2.229 3.143 -1.659 1.00 0.45 H new ATOM 0 HA2 GLY B 26 4.564 4.731 -2.447 1.00 0.41 H new ATOM 0 HA3 GLY B 26 3.522 3.766 -3.473 1.00 0.41 H new ATOM 2501 N THR B 27 3.220 6.851 -2.570 1.00 0.47 N ATOM 2502 CA THR B 27 2.572 8.122 -2.836 1.00 0.48 C ATOM 2503 C THR B 27 3.230 8.820 -4.023 1.00 0.44 C ATOM 2504 O THR B 27 4.429 9.083 -4.011 1.00 0.53 O ATOM 2505 CB THR B 27 2.658 9.031 -1.598 1.00 0.61 C ATOM 2506 OG1 THR B 27 2.111 8.356 -0.452 1.00 0.94 O ATOM 2507 CG2 THR B 27 1.920 10.345 -1.826 1.00 0.55 C ATOM 0 H THR B 27 4.077 6.930 -2.022 1.00 0.47 H new ATOM 0 HA THR B 27 1.526 7.929 -3.072 1.00 0.48 H new ATOM 0 HB THR B 27 3.709 9.257 -1.418 1.00 0.61 H new ATOM 0 HG1 THR B 27 1.783 7.472 -0.719 1.00 0.94 H new ATOM 0 HG21 THR B 27 1.999 10.966 -0.934 1.00 0.55 H new ATOM 0 HG22 THR B 27 2.363 10.869 -2.673 1.00 0.55 H new ATOM 0 HG23 THR B 27 0.870 10.141 -2.035 1.00 0.55 H new ATOM 2515 N ARG B 28 2.455 9.110 -5.060 1.00 0.47 N ATOM 2516 CA ARG B 28 3.002 9.773 -6.239 1.00 0.57 C ATOM 2517 C ARG B 28 3.102 11.275 -6.013 1.00 0.58 C ATOM 2518 O ARG B 28 2.399 12.061 -6.650 1.00 0.74 O ATOM 2519 CB ARG B 28 2.173 9.464 -7.492 1.00 0.73 C ATOM 2520 CG ARG B 28 0.688 9.754 -7.354 1.00 0.96 C ATOM 2521 CD ARG B 28 0.030 9.920 -8.715 1.00 1.02 C ATOM 2522 NE ARG B 28 0.272 11.251 -9.281 1.00 1.15 N ATOM 2523 CZ ARG B 28 -0.650 11.981 -9.928 1.00 1.49 C ATOM 2524 NH1 ARG B 28 -1.885 11.516 -10.096 1.00 1.79 N ATOM 2525 NH2 ARG B 28 -0.336 13.185 -10.402 1.00 1.85 N ATOM 0 H ARG B 28 1.458 8.900 -5.111 1.00 0.47 H new ATOM 0 HA ARG B 28 4.006 9.382 -6.404 1.00 0.57 H new ATOM 0 HB2 ARG B 28 2.568 10.045 -8.325 1.00 0.73 H new ATOM 0 HB3 ARG B 28 2.302 8.412 -7.747 1.00 0.73 H new ATOM 0 HG2 ARG B 28 0.205 8.942 -6.811 1.00 0.96 H new ATOM 0 HG3 ARG B 28 0.545 10.660 -6.765 1.00 0.96 H new ATOM 0 HD2 ARG B 28 0.411 9.161 -9.398 1.00 1.02 H new ATOM 0 HD3 ARG B 28 -1.043 9.755 -8.622 1.00 1.02 H new ATOM 0 HE ARG B 28 1.205 11.649 -9.176 1.00 1.15 H new ATOM 0 HH11 ARG B 28 -2.138 10.597 -9.732 1.00 1.79 H new ATOM 0 HH12 ARG B 28 -2.579 12.078 -10.589 1.00 1.79 H new ATOM 0 HH21 ARG B 28 0.606 13.554 -10.274 1.00 1.85 H new ATOM 0 HH22 ARG B 28 -1.038 13.739 -10.893 1.00 1.85 H new ATOM 2539 N ASP B 29 3.963 11.662 -5.084 1.00 0.57 N ATOM 2540 CA ASP B 29 4.173 13.066 -4.767 1.00 0.70 C ATOM 2541 C ASP B 29 5.567 13.287 -4.197 1.00 0.57 C ATOM 2542 O ASP B 29 6.107 12.421 -3.511 1.00 0.69 O ATOM 2543 CB ASP B 29 3.126 13.571 -3.770 1.00 0.95 C ATOM 2544 CG ASP B 29 3.473 14.947 -3.227 1.00 1.11 C ATOM 2545 OD1 ASP B 29 3.668 15.881 -4.037 1.00 1.24 O ATOM 2546 OD2 ASP B 29 3.585 15.095 -1.993 1.00 1.27 O ATOM 0 H ASP B 29 4.531 11.018 -4.533 1.00 0.57 H new ATOM 0 HA ASP B 29 4.072 13.629 -5.695 1.00 0.70 H new ATOM 0 HB2 ASP B 29 2.151 13.609 -4.256 1.00 0.95 H new ATOM 0 HB3 ASP B 29 3.043 12.866 -2.943 1.00 0.95 H new ATOM 2551 N ARG B 30 6.139 14.445 -4.493 1.00 0.54 N ATOM 2552 CA ARG B 30 7.470 14.793 -4.005 1.00 0.59 C ATOM 2553 C ARG B 30 7.464 16.173 -3.338 1.00 0.56 C ATOM 2554 O ARG B 30 8.518 16.772 -3.118 1.00 0.75 O ATOM 2555 CB ARG B 30 8.485 14.756 -5.157 1.00 0.82 C ATOM 2556 CG ARG B 30 8.176 15.728 -6.286 1.00 0.98 C ATOM 2557 CD ARG B 30 9.131 16.913 -6.294 1.00 1.19 C ATOM 2558 NE ARG B 30 10.519 16.509 -6.556 1.00 1.39 N ATOM 2559 CZ ARG B 30 10.997 16.187 -7.766 1.00 1.70 C ATOM 2560 NH1 ARG B 30 10.198 16.201 -8.833 1.00 2.03 N ATOM 2561 NH2 ARG B 30 12.278 15.846 -7.907 1.00 2.10 N ATOM 0 H ARG B 30 5.702 15.163 -5.071 1.00 0.54 H new ATOM 0 HA ARG B 30 7.764 14.057 -3.256 1.00 0.59 H new ATOM 0 HB2 ARG B 30 9.476 14.978 -4.761 1.00 0.82 H new ATOM 0 HB3 ARG B 30 8.523 13.745 -5.562 1.00 0.82 H new ATOM 0 HG2 ARG B 30 8.237 15.206 -7.241 1.00 0.98 H new ATOM 0 HG3 ARG B 30 7.152 16.088 -6.185 1.00 0.98 H new ATOM 0 HD2 ARG B 30 8.813 17.628 -7.053 1.00 1.19 H new ATOM 0 HD3 ARG B 30 9.079 17.425 -5.333 1.00 1.19 H new ATOM 0 HE ARG B 30 11.161 16.471 -5.765 1.00 1.39 H new ATOM 0 HH11 ARG B 30 9.216 16.458 -8.732 1.00 2.03 H new ATOM 0 HH12 ARG B 30 10.569 15.955 -9.751 1.00 2.03 H new ATOM 0 HH21 ARG B 30 12.894 15.830 -7.094 1.00 2.10 H new ATOM 0 HH22 ARG B 30 12.642 15.601 -8.828 1.00 2.10 H new ATOM 2575 N SER B 31 6.273 16.665 -3.005 1.00 0.46 N ATOM 2576 CA SER B 31 6.124 17.964 -2.368 1.00 0.47 C ATOM 2577 C SER B 31 6.366 17.851 -0.862 1.00 0.51 C ATOM 2578 O SER B 31 7.101 18.653 -0.279 1.00 0.66 O ATOM 2579 CB SER B 31 4.719 18.522 -2.639 1.00 0.54 C ATOM 2580 OG SER B 31 4.330 18.289 -3.986 1.00 0.79 O ATOM 0 H SER B 31 5.393 16.176 -3.169 1.00 0.46 H new ATOM 0 HA SER B 31 6.864 18.647 -2.787 1.00 0.47 H new ATOM 0 HB2 SER B 31 4.002 18.055 -1.964 1.00 0.54 H new ATOM 0 HB3 SER B 31 4.702 19.592 -2.432 1.00 0.54 H new ATOM 0 HG SER B 31 3.705 17.535 -4.020 1.00 0.79 H new ATOM 2586 N ASP B 32 5.756 16.845 -0.242 1.00 0.58 N ATOM 2587 CA ASP B 32 5.901 16.628 1.195 1.00 0.79 C ATOM 2588 C ASP B 32 7.203 15.894 1.500 1.00 0.64 C ATOM 2589 O ASP B 32 7.622 15.014 0.745 1.00 0.64 O ATOM 2590 CB ASP B 32 4.714 15.828 1.737 1.00 1.09 C ATOM 2591 CG ASP B 32 4.727 15.722 3.249 1.00 1.43 C ATOM 2592 OD1 ASP B 32 5.541 14.950 3.791 1.00 1.72 O ATOM 2593 OD2 ASP B 32 3.923 16.416 3.902 1.00 2.02 O ATOM 0 H ASP B 32 5.156 16.167 -0.712 1.00 0.58 H new ATOM 0 HA ASP B 32 5.925 17.602 1.684 1.00 0.79 H new ATOM 0 HB2 ASP B 32 3.785 16.300 1.417 1.00 1.09 H new ATOM 0 HB3 ASP B 32 4.727 14.827 1.306 1.00 1.09 H new ATOM 2598 N GLN B 33 7.844 16.253 2.606 1.00 0.63 N ATOM 2599 CA GLN B 33 9.099 15.622 3.000 1.00 0.58 C ATOM 2600 C GLN B 33 8.843 14.295 3.718 1.00 0.50 C ATOM 2601 O GLN B 33 9.108 14.156 4.916 1.00 0.63 O ATOM 2602 CB GLN B 33 9.922 16.556 3.893 1.00 0.74 C ATOM 2603 CG GLN B 33 10.441 17.797 3.174 1.00 0.90 C ATOM 2604 CD GLN B 33 11.424 18.603 4.009 1.00 1.15 C ATOM 2605 OE1 GLN B 33 12.353 19.211 3.474 1.00 1.51 O ATOM 2606 NE2 GLN B 33 11.223 18.635 5.318 1.00 1.48 N ATOM 0 H GLN B 33 7.516 16.977 3.246 1.00 0.63 H new ATOM 0 HA GLN B 33 9.668 15.419 2.093 1.00 0.58 H new ATOM 0 HB2 GLN B 33 9.309 16.867 4.739 1.00 0.74 H new ATOM 0 HB3 GLN B 33 10.769 16.002 4.299 1.00 0.74 H new ATOM 0 HG2 GLN B 33 10.925 17.496 2.245 1.00 0.90 H new ATOM 0 HG3 GLN B 33 9.598 18.432 2.903 1.00 0.90 H new ATOM 0 HE21 GLN B 33 10.444 18.120 5.727 1.00 1.48 H new ATOM 0 HE22 GLN B 33 11.848 19.175 5.917 1.00 1.48 H new ATOM 2615 N HIS B 34 8.304 13.323 2.986 1.00 0.41 N ATOM 2616 CA HIS B 34 8.029 12.007 3.560 1.00 0.41 C ATOM 2617 C HIS B 34 8.301 10.873 2.565 1.00 0.39 C ATOM 2618 O HIS B 34 7.840 9.750 2.765 1.00 0.45 O ATOM 2619 CB HIS B 34 6.584 11.933 4.074 1.00 0.51 C ATOM 2620 CG HIS B 34 6.463 12.205 5.544 1.00 0.71 C ATOM 2621 ND1 HIS B 34 6.730 11.256 6.509 1.00 0.92 N ATOM 2622 CD2 HIS B 34 6.094 13.320 6.215 1.00 0.96 C ATOM 2623 CE1 HIS B 34 6.532 11.778 7.705 1.00 1.15 C ATOM 2624 NE2 HIS B 34 6.147 13.030 7.556 1.00 1.16 N ATOM 0 H HIS B 34 8.051 13.419 2.003 1.00 0.41 H new ATOM 0 HA HIS B 34 8.712 11.874 4.399 1.00 0.41 H new ATOM 0 HB2 HIS B 34 5.974 12.652 3.527 1.00 0.51 H new ATOM 0 HB3 HIS B 34 6.180 10.944 3.860 1.00 0.51 H new ATOM 0 HD1 HIS B 34 7.033 10.299 6.327 1.00 0.92 H new ATOM 0 HD2 HIS B 34 5.810 14.265 5.776 1.00 0.96 H new ATOM 0 HE1 HIS B 34 6.663 11.266 8.647 1.00 1.15 H new ATOM 2633 N ILE B 35 9.066 11.157 1.512 1.00 0.40 N ATOM 2634 CA ILE B 35 9.393 10.142 0.509 1.00 0.42 C ATOM 2635 C ILE B 35 10.892 10.149 0.206 1.00 0.47 C ATOM 2636 O ILE B 35 11.309 10.111 -0.953 1.00 0.57 O ATOM 2637 CB ILE B 35 8.597 10.331 -0.810 1.00 0.45 C ATOM 2638 CG1 ILE B 35 8.790 11.745 -1.379 1.00 0.51 C ATOM 2639 CG2 ILE B 35 7.120 10.032 -0.593 1.00 0.45 C ATOM 2640 CD1 ILE B 35 7.827 12.773 -0.824 1.00 0.57 C ATOM 0 H ILE B 35 9.470 12.076 1.331 1.00 0.40 H new ATOM 0 HA ILE B 35 9.107 9.180 0.935 1.00 0.42 H new ATOM 0 HB ILE B 35 8.987 9.623 -1.541 1.00 0.45 H new ATOM 0 HG12 ILE B 35 9.810 12.071 -1.174 1.00 0.51 H new ATOM 0 HG13 ILE B 35 8.679 11.707 -2.463 1.00 0.51 H new ATOM 0 HG21 ILE B 35 6.579 10.170 -1.529 1.00 0.45 H new ATOM 0 HG22 ILE B 35 7.003 9.002 -0.255 1.00 0.45 H new ATOM 0 HG23 ILE B 35 6.719 10.709 0.161 1.00 0.45 H new ATOM 0 HD11 ILE B 35 8.030 13.744 -1.277 1.00 0.57 H new ATOM 0 HD12 ILE B 35 6.804 12.473 -1.052 1.00 0.57 H new ATOM 0 HD13 ILE B 35 7.953 12.843 0.256 1.00 0.57 H new ATOM 2652 N GLN B 36 11.704 10.199 1.261 1.00 0.47 N ATOM 2653 CA GLN B 36 13.154 10.216 1.112 1.00 0.54 C ATOM 2654 C GLN B 36 13.824 9.404 2.216 1.00 0.49 C ATOM 2655 O GLN B 36 13.599 9.645 3.404 1.00 0.57 O ATOM 2656 CB GLN B 36 13.679 11.653 1.130 1.00 0.68 C ATOM 2657 CG GLN B 36 13.209 12.471 2.325 1.00 0.81 C ATOM 2658 CD GLN B 36 14.063 13.703 2.563 1.00 1.21 C ATOM 2659 OE1 GLN B 36 15.042 13.654 3.304 1.00 1.49 O ATOM 2660 NE2 GLN B 36 13.704 14.817 1.933 1.00 1.54 N ATOM 0 H GLN B 36 11.380 10.228 2.228 1.00 0.47 H new ATOM 0 HA GLN B 36 13.398 9.763 0.151 1.00 0.54 H new ATOM 0 HB2 GLN B 36 14.769 11.631 1.125 1.00 0.68 H new ATOM 0 HB3 GLN B 36 13.366 12.154 0.214 1.00 0.68 H new ATOM 0 HG2 GLN B 36 12.174 12.776 2.167 1.00 0.81 H new ATOM 0 HG3 GLN B 36 13.224 11.845 3.217 1.00 0.81 H new ATOM 0 HE21 GLN B 36 12.884 14.818 1.326 1.00 1.54 H new ATOM 0 HE22 GLN B 36 14.248 15.671 2.057 1.00 1.54 H new ATOM 2669 N LEU B 37 14.637 8.438 1.817 1.00 0.43 N ATOM 2670 CA LEU B 37 15.354 7.592 2.760 1.00 0.43 C ATOM 2671 C LEU B 37 16.853 7.689 2.495 1.00 0.45 C ATOM 2672 O LEU B 37 17.262 8.072 1.401 1.00 0.51 O ATOM 2673 CB LEU B 37 14.869 6.137 2.656 1.00 0.42 C ATOM 2674 CG LEU B 37 14.617 5.619 1.232 1.00 0.45 C ATOM 2675 CD1 LEU B 37 15.911 5.125 0.603 1.00 0.69 C ATOM 2676 CD2 LEU B 37 13.569 4.516 1.241 1.00 0.71 C ATOM 0 H LEU B 37 14.818 8.219 0.837 1.00 0.43 H new ATOM 0 HA LEU B 37 15.155 7.936 3.775 1.00 0.43 H new ATOM 0 HB2 LEU B 37 15.608 5.492 3.132 1.00 0.42 H new ATOM 0 HB3 LEU B 37 13.946 6.039 3.227 1.00 0.42 H new ATOM 0 HG LEU B 37 14.239 6.445 0.630 1.00 0.45 H new ATOM 0 HD11 LEU B 37 15.710 4.762 -0.405 1.00 0.69 H new ATOM 0 HD12 LEU B 37 16.629 5.944 0.558 1.00 0.69 H new ATOM 0 HD13 LEU B 37 16.322 4.314 1.205 1.00 0.69 H new ATOM 0 HD21 LEU B 37 13.404 4.162 0.223 1.00 0.71 H new ATOM 0 HD22 LEU B 37 13.916 3.689 1.861 1.00 0.71 H new ATOM 0 HD23 LEU B 37 12.635 4.905 1.645 1.00 0.71 H new ATOM 2688 N GLN B 38 17.672 7.353 3.483 1.00 0.46 N ATOM 2689 CA GLN B 38 19.121 7.427 3.322 1.00 0.49 C ATOM 2690 C GLN B 38 19.692 6.069 2.910 1.00 0.50 C ATOM 2691 O GLN B 38 20.619 5.551 3.536 1.00 0.62 O ATOM 2692 CB GLN B 38 19.774 7.924 4.618 1.00 0.54 C ATOM 2693 CG GLN B 38 20.905 8.914 4.380 1.00 0.61 C ATOM 2694 CD GLN B 38 21.992 8.350 3.485 1.00 0.64 C ATOM 2695 OE1 GLN B 38 21.872 8.368 2.258 1.00 0.65 O ATOM 2696 NE2 GLN B 38 23.068 7.863 4.084 1.00 0.79 N ATOM 0 H GLN B 38 17.362 7.028 4.399 1.00 0.46 H new ATOM 0 HA GLN B 38 19.345 8.139 2.528 1.00 0.49 H new ATOM 0 HB2 GLN B 38 19.014 8.394 5.243 1.00 0.54 H new ATOM 0 HB3 GLN B 38 20.159 7.069 5.174 1.00 0.54 H new ATOM 0 HG2 GLN B 38 20.501 9.820 3.929 1.00 0.61 H new ATOM 0 HG3 GLN B 38 21.340 9.201 5.337 1.00 0.61 H new ATOM 0 HE21 GLN B 38 23.130 7.866 5.102 1.00 0.79 H new ATOM 0 HE22 GLN B 38 23.835 7.485 3.527 1.00 0.79 H new ATOM 2705 N LEU B 39 19.133 5.498 1.846 1.00 0.50 N ATOM 2706 CA LEU B 39 19.592 4.207 1.345 1.00 0.53 C ATOM 2707 C LEU B 39 21.057 4.294 0.939 1.00 0.56 C ATOM 2708 O LEU B 39 21.404 5.002 -0.011 1.00 0.61 O ATOM 2709 CB LEU B 39 18.749 3.755 0.147 1.00 0.57 C ATOM 2710 CG LEU B 39 19.300 2.552 -0.631 1.00 0.63 C ATOM 2711 CD1 LEU B 39 19.379 1.325 0.264 1.00 0.69 C ATOM 2712 CD2 LEU B 39 18.434 2.264 -1.848 1.00 0.76 C ATOM 0 H LEU B 39 18.364 5.908 1.316 1.00 0.50 H new ATOM 0 HA LEU B 39 19.481 3.473 2.144 1.00 0.53 H new ATOM 0 HB2 LEU B 39 17.748 3.509 0.501 1.00 0.57 H new ATOM 0 HB3 LEU B 39 18.647 4.594 -0.541 1.00 0.57 H new ATOM 0 HG LEU B 39 20.307 2.796 -0.970 1.00 0.63 H new ATOM 0 HD11 LEU B 39 19.772 0.483 -0.306 1.00 0.69 H new ATOM 0 HD12 LEU B 39 20.038 1.531 1.107 1.00 0.69 H new ATOM 0 HD13 LEU B 39 18.383 1.080 0.634 1.00 0.69 H new ATOM 0 HD21 LEU B 39 18.839 1.408 -2.388 1.00 0.76 H new ATOM 0 HD22 LEU B 39 17.417 2.042 -1.526 1.00 0.76 H new ATOM 0 HD23 LEU B 39 18.425 3.135 -2.503 1.00 0.76 H new ATOM 2724 N SER B 40 21.909 3.589 1.669 1.00 0.56 N ATOM 2725 CA SER B 40 23.338 3.585 1.391 1.00 0.60 C ATOM 2726 C SER B 40 23.945 2.229 1.738 1.00 0.59 C ATOM 2727 O SER B 40 23.415 1.502 2.588 1.00 0.58 O ATOM 2728 CB SER B 40 24.031 4.694 2.191 1.00 0.66 C ATOM 2729 OG SER B 40 23.275 5.896 2.153 1.00 0.77 O ATOM 0 H SER B 40 21.634 3.010 2.462 1.00 0.56 H new ATOM 0 HA SER B 40 23.487 3.769 0.327 1.00 0.60 H new ATOM 0 HB2 SER B 40 24.161 4.375 3.225 1.00 0.66 H new ATOM 0 HB3 SER B 40 25.026 4.873 1.785 1.00 0.66 H new ATOM 0 HG SER B 40 22.461 5.787 2.688 1.00 0.77 H new ATOM 2735 N ALA B 41 25.041 1.889 1.068 1.00 0.62 N ATOM 2736 CA ALA B 41 25.727 0.629 1.313 1.00 0.63 C ATOM 2737 C ALA B 41 26.545 0.720 2.593 1.00 0.66 C ATOM 2738 O ALA B 41 27.352 1.639 2.756 1.00 0.80 O ATOM 2739 CB ALA B 41 26.616 0.263 0.131 1.00 0.67 C ATOM 0 H ALA B 41 25.473 2.471 0.350 1.00 0.62 H new ATOM 0 HA ALA B 41 24.982 -0.157 1.431 1.00 0.63 H new ATOM 0 HB1 ALA B 41 27.120 -0.682 0.334 1.00 0.67 H new ATOM 0 HB2 ALA B 41 26.005 0.163 -0.766 1.00 0.67 H new ATOM 0 HB3 ALA B 41 27.359 1.045 -0.021 1.00 0.67 H new ATOM 2745 N GLU B 42 26.325 -0.224 3.495 1.00 0.64 N ATOM 2746 CA GLU B 42 27.032 -0.249 4.770 1.00 0.69 C ATOM 2747 C GLU B 42 28.155 -1.279 4.724 1.00 0.72 C ATOM 2748 O GLU B 42 29.299 -0.980 5.072 1.00 0.86 O ATOM 2749 CB GLU B 42 26.058 -0.560 5.911 1.00 0.73 C ATOM 2750 CG GLU B 42 24.805 0.302 5.881 1.00 0.79 C ATOM 2751 CD GLU B 42 24.615 1.113 7.146 1.00 0.84 C ATOM 2752 OE1 GLU B 42 23.974 0.609 8.094 1.00 1.04 O ATOM 2753 OE2 GLU B 42 25.082 2.268 7.199 1.00 1.27 O ATOM 0 H GLU B 42 25.660 -0.987 3.368 1.00 0.64 H new ATOM 0 HA GLU B 42 27.470 0.733 4.952 1.00 0.69 H new ATOM 0 HB2 GLU B 42 25.770 -1.610 5.858 1.00 0.73 H new ATOM 0 HB3 GLU B 42 26.567 -0.416 6.864 1.00 0.73 H new ATOM 0 HG2 GLU B 42 24.856 0.977 5.027 1.00 0.79 H new ATOM 0 HG3 GLU B 42 23.935 -0.337 5.731 1.00 0.79 H new ATOM 2760 N SER B 43 27.827 -2.487 4.283 1.00 0.72 N ATOM 2761 CA SER B 43 28.806 -3.558 4.166 1.00 0.77 C ATOM 2762 C SER B 43 28.984 -3.928 2.696 1.00 0.73 C ATOM 2763 O SER B 43 28.163 -3.552 1.858 1.00 0.72 O ATOM 2764 CB SER B 43 28.363 -4.787 4.966 1.00 0.83 C ATOM 2765 OG SER B 43 27.339 -4.465 5.894 1.00 0.98 O ATOM 0 H SER B 43 26.883 -2.750 3.999 1.00 0.72 H new ATOM 0 HA SER B 43 29.756 -3.211 4.571 1.00 0.77 H new ATOM 0 HB2 SER B 43 28.006 -5.557 4.283 1.00 0.83 H new ATOM 0 HB3 SER B 43 29.219 -5.204 5.497 1.00 0.83 H new ATOM 0 HG SER B 43 26.779 -5.254 6.049 1.00 0.98 H new ATOM 2771 N VAL B 44 30.046 -4.662 2.384 1.00 0.77 N ATOM 2772 CA VAL B 44 30.312 -5.080 1.010 1.00 0.78 C ATOM 2773 C VAL B 44 29.061 -5.698 0.370 1.00 0.72 C ATOM 2774 O VAL B 44 28.732 -6.862 0.614 1.00 0.75 O ATOM 2775 CB VAL B 44 31.496 -6.076 0.942 1.00 0.87 C ATOM 2776 CG1 VAL B 44 31.260 -7.283 1.843 1.00 0.92 C ATOM 2777 CG2 VAL B 44 31.749 -6.515 -0.493 1.00 0.91 C ATOM 0 H VAL B 44 30.737 -4.981 3.063 1.00 0.77 H new ATOM 0 HA VAL B 44 30.585 -4.188 0.446 1.00 0.78 H new ATOM 0 HB VAL B 44 32.385 -5.560 1.306 1.00 0.87 H new ATOM 0 HG11 VAL B 44 32.110 -7.962 1.772 1.00 0.92 H new ATOM 0 HG12 VAL B 44 31.147 -6.950 2.875 1.00 0.92 H new ATOM 0 HG13 VAL B 44 30.354 -7.801 1.528 1.00 0.92 H new ATOM 0 HG21 VAL B 44 32.585 -7.214 -0.518 1.00 0.91 H new ATOM 0 HG22 VAL B 44 30.857 -7.002 -0.887 1.00 0.91 H new ATOM 0 HG23 VAL B 44 31.987 -5.644 -1.103 1.00 0.91 H new ATOM 2787 N GLY B 45 28.348 -4.893 -0.415 1.00 0.71 N ATOM 2788 CA GLY B 45 27.146 -5.363 -1.080 1.00 0.70 C ATOM 2789 C GLY B 45 25.888 -5.233 -0.229 1.00 0.67 C ATOM 2790 O GLY B 45 24.787 -5.503 -0.714 1.00 0.73 O ATOM 0 H GLY B 45 28.584 -3.919 -0.602 1.00 0.71 H new ATOM 0 HA2 GLY B 45 27.009 -4.802 -2.004 1.00 0.70 H new ATOM 0 HA3 GLY B 45 27.280 -6.408 -1.359 1.00 0.70 H new ATOM 2794 N GLU B 46 26.037 -4.812 1.026 1.00 0.66 N ATOM 2795 CA GLU B 46 24.899 -4.662 1.931 1.00 0.65 C ATOM 2796 C GLU B 46 24.444 -3.210 2.011 1.00 0.60 C ATOM 2797 O GLU B 46 25.230 -2.322 2.355 1.00 0.63 O ATOM 2798 CB GLU B 46 25.254 -5.144 3.338 1.00 0.71 C ATOM 2799 CG GLU B 46 25.151 -6.645 3.527 1.00 0.82 C ATOM 2800 CD GLU B 46 25.241 -7.040 4.987 1.00 0.92 C ATOM 2801 OE1 GLU B 46 26.319 -6.862 5.590 1.00 1.33 O ATOM 2802 OE2 GLU B 46 24.235 -7.527 5.542 1.00 1.14 O ATOM 0 H GLU B 46 26.937 -4.568 1.440 1.00 0.66 H new ATOM 0 HA GLU B 46 24.089 -5.271 1.529 1.00 0.65 H new ATOM 0 HB2 GLU B 46 26.271 -4.829 3.572 1.00 0.71 H new ATOM 0 HB3 GLU B 46 24.596 -4.653 4.055 1.00 0.71 H new ATOM 0 HG2 GLU B 46 24.207 -6.999 3.113 1.00 0.82 H new ATOM 0 HG3 GLU B 46 25.948 -7.136 2.969 1.00 0.82 H new ATOM 2809 N VAL B 47 23.178 -2.972 1.704 1.00 0.56 N ATOM 2810 CA VAL B 47 22.623 -1.631 1.764 1.00 0.55 C ATOM 2811 C VAL B 47 21.517 -1.563 2.811 1.00 0.53 C ATOM 2812 O VAL B 47 20.706 -2.486 2.929 1.00 0.56 O ATOM 2813 CB VAL B 47 22.075 -1.169 0.396 1.00 0.56 C ATOM 2814 CG1 VAL B 47 23.194 -1.111 -0.633 1.00 0.59 C ATOM 2815 CG2 VAL B 47 20.953 -2.080 -0.079 1.00 0.59 C ATOM 0 H VAL B 47 22.516 -3.691 1.411 1.00 0.56 H new ATOM 0 HA VAL B 47 23.434 -0.958 2.043 1.00 0.55 H new ATOM 0 HB VAL B 47 21.664 -0.167 0.516 1.00 0.56 H new ATOM 0 HG11 VAL B 47 22.791 -0.784 -1.591 1.00 0.59 H new ATOM 0 HG12 VAL B 47 23.957 -0.407 -0.301 1.00 0.59 H new ATOM 0 HG13 VAL B 47 23.637 -2.101 -0.745 1.00 0.59 H new ATOM 0 HG21 VAL B 47 20.586 -1.732 -1.044 1.00 0.59 H new ATOM 0 HG22 VAL B 47 21.329 -3.098 -0.180 1.00 0.59 H new ATOM 0 HG23 VAL B 47 20.139 -2.064 0.646 1.00 0.59 H new ATOM 2825 N TYR B 48 21.496 -0.478 3.576 1.00 0.52 N ATOM 2826 CA TYR B 48 20.492 -0.297 4.618 1.00 0.51 C ATOM 2827 C TYR B 48 19.529 0.826 4.257 1.00 0.49 C ATOM 2828 O TYR B 48 19.952 1.920 3.865 1.00 0.53 O ATOM 2829 CB TYR B 48 21.162 0.007 5.963 1.00 0.55 C ATOM 2830 CG TYR B 48 21.498 -1.225 6.776 1.00 0.65 C ATOM 2831 CD1 TYR B 48 22.433 -2.150 6.328 1.00 0.80 C ATOM 2832 CD2 TYR B 48 20.883 -1.456 8.000 1.00 0.84 C ATOM 2833 CE1 TYR B 48 22.743 -3.271 7.074 1.00 1.02 C ATOM 2834 CE2 TYR B 48 21.190 -2.573 8.754 1.00 1.06 C ATOM 2835 CZ TYR B 48 22.120 -3.478 8.288 1.00 1.11 C ATOM 2836 OH TYR B 48 22.428 -4.592 9.045 1.00 1.39 O ATOM 0 H TYR B 48 22.163 0.290 3.495 1.00 0.52 H new ATOM 0 HA TYR B 48 19.928 -1.226 4.703 1.00 0.51 H new ATOM 0 HB2 TYR B 48 22.077 0.571 5.782 1.00 0.55 H new ATOM 0 HB3 TYR B 48 20.503 0.648 6.549 1.00 0.55 H new ATOM 0 HD1 TYR B 48 22.926 -1.990 5.380 1.00 0.80 H new ATOM 0 HD2 TYR B 48 20.153 -0.751 8.369 1.00 0.84 H new ATOM 0 HE1 TYR B 48 23.469 -3.982 6.709 1.00 1.02 H new ATOM 0 HE2 TYR B 48 20.703 -2.736 9.704 1.00 1.06 H new ATOM 0 HH TYR B 48 21.900 -4.583 9.871 1.00 1.39 H new ATOM 2846 N ILE B 49 18.235 0.555 4.383 1.00 0.53 N ATOM 2847 CA ILE B 49 17.215 1.547 4.080 1.00 0.54 C ATOM 2848 C ILE B 49 16.833 2.292 5.354 1.00 0.53 C ATOM 2849 O ILE B 49 15.900 1.909 6.061 1.00 0.62 O ATOM 2850 CB ILE B 49 15.951 0.921 3.434 1.00 0.58 C ATOM 2851 CG1 ILE B 49 16.297 0.269 2.090 1.00 0.62 C ATOM 2852 CG2 ILE B 49 14.875 1.983 3.240 1.00 0.64 C ATOM 2853 CD1 ILE B 49 17.046 -1.042 2.207 1.00 0.73 C ATOM 0 H ILE B 49 17.869 -0.345 4.693 1.00 0.53 H new ATOM 0 HA ILE B 49 17.638 2.239 3.352 1.00 0.54 H new ATOM 0 HB ILE B 49 15.569 0.151 4.104 1.00 0.58 H new ATOM 0 HG12 ILE B 49 15.375 0.099 1.534 1.00 0.62 H new ATOM 0 HG13 ILE B 49 16.897 0.966 1.505 1.00 0.62 H new ATOM 0 HG21 ILE B 49 13.994 1.530 2.786 1.00 0.64 H new ATOM 0 HG22 ILE B 49 14.606 2.410 4.206 1.00 0.64 H new ATOM 0 HG23 ILE B 49 15.254 2.770 2.589 1.00 0.64 H new ATOM 0 HD11 ILE B 49 17.251 -1.434 1.211 1.00 0.73 H new ATOM 0 HD12 ILE B 49 17.987 -0.878 2.733 1.00 0.73 H new ATOM 0 HD13 ILE B 49 16.441 -1.759 2.762 1.00 0.73 H new ATOM 2865 N LYS B 50 17.583 3.344 5.653 1.00 0.55 N ATOM 2866 CA LYS B 50 17.340 4.145 6.844 1.00 0.57 C ATOM 2867 C LYS B 50 16.861 5.546 6.467 1.00 0.53 C ATOM 2868 O LYS B 50 17.606 6.329 5.878 1.00 0.58 O ATOM 2869 CB LYS B 50 18.609 4.225 7.711 1.00 0.65 C ATOM 2870 CG LYS B 50 19.840 4.747 6.972 1.00 0.75 C ATOM 2871 CD LYS B 50 21.115 4.548 7.783 1.00 0.84 C ATOM 2872 CE LYS B 50 21.569 3.094 7.770 1.00 0.87 C ATOM 2873 NZ LYS B 50 22.770 2.874 8.618 1.00 0.97 N ATOM 0 H LYS B 50 18.367 3.663 5.085 1.00 0.55 H new ATOM 0 HA LYS B 50 16.555 3.660 7.425 1.00 0.57 H new ATOM 0 HB2 LYS B 50 18.411 4.871 8.566 1.00 0.65 H new ATOM 0 HB3 LYS B 50 18.829 3.233 8.105 1.00 0.65 H new ATOM 0 HG2 LYS B 50 19.934 4.233 6.015 1.00 0.75 H new ATOM 0 HG3 LYS B 50 19.710 5.807 6.753 1.00 0.75 H new ATOM 0 HD2 LYS B 50 21.906 5.180 7.379 1.00 0.84 H new ATOM 0 HD3 LYS B 50 20.946 4.867 8.811 1.00 0.84 H new ATOM 0 HE2 LYS B 50 20.756 2.458 8.122 1.00 0.87 H new ATOM 0 HE3 LYS B 50 21.789 2.793 6.746 1.00 0.87 H new ATOM 0 HZ1 LYS B 50 22.884 1.857 8.801 1.00 0.97 H new ATOM 0 HZ2 LYS B 50 23.613 3.235 8.127 1.00 0.97 H new ATOM 0 HZ3 LYS B 50 22.654 3.377 9.521 1.00 0.97 H new ATOM 2887 N SER B 51 15.613 5.852 6.788 1.00 0.53 N ATOM 2888 CA SER B 51 15.044 7.160 6.494 1.00 0.55 C ATOM 2889 C SER B 51 15.090 8.034 7.749 1.00 0.65 C ATOM 2890 O SER B 51 14.062 8.496 8.240 1.00 1.09 O ATOM 2891 CB SER B 51 13.608 7.001 5.984 1.00 0.62 C ATOM 2892 OG SER B 51 12.936 5.944 6.652 1.00 0.95 O ATOM 0 H SER B 51 14.972 5.210 7.254 1.00 0.53 H new ATOM 0 HA SER B 51 15.629 7.647 5.714 1.00 0.55 H new ATOM 0 HB2 SER B 51 13.062 7.933 6.132 1.00 0.62 H new ATOM 0 HB3 SER B 51 13.620 6.806 4.912 1.00 0.62 H new ATOM 0 HG SER B 51 12.084 5.762 6.203 1.00 0.95 H new ATOM 2898 N THR B 52 16.300 8.268 8.245 1.00 0.64 N ATOM 2899 CA THR B 52 16.507 9.046 9.460 1.00 0.76 C ATOM 2900 C THR B 52 15.783 10.401 9.445 1.00 0.69 C ATOM 2901 O THR B 52 14.801 10.585 10.165 1.00 0.83 O ATOM 2902 CB THR B 52 18.013 9.252 9.729 1.00 0.98 C ATOM 2903 OG1 THR B 52 18.759 9.143 8.507 1.00 1.09 O ATOM 2904 CG2 THR B 52 18.524 8.224 10.724 1.00 1.28 C ATOM 0 H THR B 52 17.161 7.925 7.818 1.00 0.64 H new ATOM 0 HA THR B 52 16.068 8.463 10.270 1.00 0.76 H new ATOM 0 HB THR B 52 18.148 10.250 10.146 1.00 0.98 H new ATOM 0 HG1 THR B 52 19.027 10.036 8.206 1.00 1.09 H new ATOM 0 HG21 THR B 52 19.587 8.386 10.901 1.00 1.28 H new ATOM 0 HG22 THR B 52 17.981 8.326 11.663 1.00 1.28 H new ATOM 0 HG23 THR B 52 18.371 7.222 10.323 1.00 1.28 H new ATOM 2912 N GLU B 53 16.242 11.332 8.616 1.00 0.70 N ATOM 2913 CA GLU B 53 15.646 12.668 8.567 1.00 0.76 C ATOM 2914 C GLU B 53 14.390 12.721 7.693 1.00 0.72 C ATOM 2915 O GLU B 53 14.325 13.522 6.764 1.00 1.00 O ATOM 2916 CB GLU B 53 16.668 13.689 8.055 1.00 1.03 C ATOM 2917 CG GLU B 53 18.038 13.577 8.706 1.00 1.14 C ATOM 2918 CD GLU B 53 19.023 12.788 7.863 1.00 1.14 C ATOM 2919 OE1 GLU B 53 18.911 11.544 7.813 1.00 1.17 O ATOM 2920 OE2 GLU B 53 19.917 13.407 7.251 1.00 1.68 O ATOM 0 H GLU B 53 17.020 11.191 7.971 1.00 0.70 H new ATOM 0 HA GLU B 53 15.349 12.916 9.586 1.00 0.76 H new ATOM 0 HB2 GLU B 53 16.779 13.567 6.978 1.00 1.03 H new ATOM 0 HB3 GLU B 53 16.278 14.693 8.224 1.00 1.03 H new ATOM 0 HG2 GLU B 53 18.435 14.577 8.882 1.00 1.14 H new ATOM 0 HG3 GLU B 53 17.935 13.099 9.680 1.00 1.14 H new ATOM 2927 N THR B 54 13.398 11.880 7.992 1.00 0.66 N ATOM 2928 CA THR B 54 12.141 11.862 7.232 1.00 0.68 C ATOM 2929 C THR B 54 11.249 10.686 7.641 1.00 0.60 C ATOM 2930 O THR B 54 10.099 10.878 8.047 1.00 0.83 O ATOM 2931 CB THR B 54 12.373 11.804 5.692 1.00 0.88 C ATOM 2932 OG1 THR B 54 12.634 13.114 5.171 1.00 1.10 O ATOM 2933 CG2 THR B 54 11.165 11.222 4.966 1.00 1.15 C ATOM 0 H THR B 54 13.438 11.202 8.753 1.00 0.66 H new ATOM 0 HA THR B 54 11.641 12.800 7.473 1.00 0.68 H new ATOM 0 HB THR B 54 13.235 11.158 5.523 1.00 0.88 H new ATOM 0 HG1 THR B 54 13.524 13.408 5.457 1.00 1.10 H new ATOM 0 HG21 THR B 54 11.362 11.197 3.894 1.00 1.15 H new ATOM 0 HG22 THR B 54 10.978 10.210 5.325 1.00 1.15 H new ATOM 0 HG23 THR B 54 10.290 11.843 5.159 1.00 1.15 H new ATOM 2941 N GLY B 55 11.791 9.477 7.556 1.00 0.56 N ATOM 2942 CA GLY B 55 11.016 8.294 7.866 1.00 0.59 C ATOM 2943 C GLY B 55 11.365 7.663 9.195 1.00 0.58 C ATOM 2944 O GLY B 55 11.182 8.275 10.251 1.00 0.75 O ATOM 0 H GLY B 55 12.755 9.296 7.277 1.00 0.56 H new ATOM 0 HA2 GLY B 55 9.958 8.555 7.866 1.00 0.59 H new ATOM 0 HA3 GLY B 55 11.163 7.558 7.076 1.00 0.59 H new ATOM 2948 N GLN B 56 11.877 6.438 9.136 1.00 0.51 N ATOM 2949 CA GLN B 56 12.216 5.681 10.332 1.00 0.54 C ATOM 2950 C GLN B 56 13.207 4.555 10.014 1.00 0.50 C ATOM 2951 O GLN B 56 13.817 4.529 8.941 1.00 0.51 O ATOM 2952 CB GLN B 56 10.940 5.084 10.960 1.00 0.62 C ATOM 2953 CG GLN B 56 9.637 5.391 10.215 1.00 0.76 C ATOM 2954 CD GLN B 56 9.544 4.723 8.849 1.00 0.88 C ATOM 2955 OE1 GLN B 56 9.956 5.289 7.836 1.00 1.21 O ATOM 2956 NE2 GLN B 56 8.985 3.521 8.803 1.00 1.07 N ATOM 0 H GLN B 56 12.067 5.946 8.263 1.00 0.51 H new ATOM 0 HA GLN B 56 12.686 6.364 11.039 1.00 0.54 H new ATOM 0 HB2 GLN B 56 11.057 4.002 11.022 1.00 0.62 H new ATOM 0 HB3 GLN B 56 10.851 5.454 11.982 1.00 0.62 H new ATOM 0 HG2 GLN B 56 8.794 5.068 10.826 1.00 0.76 H new ATOM 0 HG3 GLN B 56 9.545 6.470 10.090 1.00 0.76 H new ATOM 0 HE21 GLN B 56 8.654 3.079 9.661 1.00 1.07 H new ATOM 0 HE22 GLN B 56 8.886 3.038 7.910 1.00 1.07 H new ATOM 2965 N TYR B 57 13.367 3.633 10.962 1.00 0.52 N ATOM 2966 CA TYR B 57 14.261 2.493 10.793 1.00 0.53 C ATOM 2967 C TYR B 57 13.476 1.277 10.313 1.00 0.49 C ATOM 2968 O TYR B 57 12.641 0.736 11.043 1.00 0.53 O ATOM 2969 CB TYR B 57 14.982 2.187 12.105 1.00 0.61 C ATOM 2970 CG TYR B 57 16.041 3.211 12.447 1.00 0.66 C ATOM 2971 CD1 TYR B 57 17.175 3.353 11.657 1.00 0.75 C ATOM 2972 CD2 TYR B 57 15.907 4.036 13.554 1.00 0.80 C ATOM 2973 CE1 TYR B 57 18.145 4.286 11.963 1.00 0.86 C ATOM 2974 CE2 TYR B 57 16.874 4.973 13.868 1.00 0.91 C ATOM 2975 CZ TYR B 57 17.991 5.093 13.068 1.00 0.89 C ATOM 2976 OH TYR B 57 18.960 6.024 13.372 1.00 1.04 O ATOM 0 H TYR B 57 12.885 3.656 11.860 1.00 0.52 H new ATOM 0 HA TYR B 57 15.010 2.740 10.040 1.00 0.53 H new ATOM 0 HB2 TYR B 57 14.252 2.143 12.913 1.00 0.61 H new ATOM 0 HB3 TYR B 57 15.444 1.202 12.039 1.00 0.61 H new ATOM 0 HD1 TYR B 57 17.300 2.723 10.789 1.00 0.75 H new ATOM 0 HD2 TYR B 57 15.033 3.945 14.181 1.00 0.80 H new ATOM 0 HE1 TYR B 57 19.021 4.383 11.339 1.00 0.86 H new ATOM 0 HE2 TYR B 57 16.755 5.607 14.734 1.00 0.91 H new ATOM 0 HH TYR B 57 18.701 6.514 14.180 1.00 1.04 H new ATOM 2986 N LEU B 58 13.743 0.862 9.077 1.00 0.50 N ATOM 2987 CA LEU B 58 13.045 -0.270 8.472 1.00 0.48 C ATOM 2988 C LEU B 58 13.426 -1.604 9.109 1.00 0.52 C ATOM 2989 O LEU B 58 14.545 -1.781 9.591 1.00 0.60 O ATOM 2990 CB LEU B 58 13.302 -0.310 6.962 1.00 0.55 C ATOM 2991 CG LEU B 58 12.383 0.594 6.130 1.00 0.59 C ATOM 2992 CD1 LEU B 58 12.665 2.066 6.409 1.00 0.73 C ATOM 2993 CD2 LEU B 58 12.536 0.288 4.646 1.00 0.80 C ATOM 0 H LEU B 58 14.441 1.295 8.472 1.00 0.50 H new ATOM 0 HA LEU B 58 11.981 -0.121 8.655 1.00 0.48 H new ATOM 0 HB2 LEU B 58 14.337 -0.023 6.776 1.00 0.55 H new ATOM 0 HB3 LEU B 58 13.189 -1.337 6.615 1.00 0.55 H new ATOM 0 HG LEU B 58 11.352 0.390 6.420 1.00 0.59 H new ATOM 0 HD11 LEU B 58 12.000 2.684 5.806 1.00 0.73 H new ATOM 0 HD12 LEU B 58 12.497 2.275 7.465 1.00 0.73 H new ATOM 0 HD13 LEU B 58 13.700 2.293 6.155 1.00 0.73 H new ATOM 0 HD21 LEU B 58 11.877 0.938 4.071 1.00 0.80 H new ATOM 0 HD22 LEU B 58 13.569 0.459 4.344 1.00 0.80 H new ATOM 0 HD23 LEU B 58 12.271 -0.753 4.460 1.00 0.80 H new ATOM 3005 N ALA B 59 12.465 -2.523 9.106 1.00 0.51 N ATOM 3006 CA ALA B 59 12.633 -3.864 9.652 1.00 0.58 C ATOM 3007 C ALA B 59 11.640 -4.799 8.968 1.00 0.57 C ATOM 3008 O ALA B 59 10.499 -4.945 9.409 1.00 0.72 O ATOM 3009 CB ALA B 59 12.431 -3.863 11.162 1.00 0.68 C ATOM 0 H ALA B 59 11.536 -2.354 8.719 1.00 0.51 H new ATOM 0 HA ALA B 59 13.648 -4.212 9.462 1.00 0.58 H new ATOM 0 HB1 ALA B 59 12.561 -4.874 11.547 1.00 0.68 H new ATOM 0 HB2 ALA B 59 13.162 -3.201 11.626 1.00 0.68 H new ATOM 0 HB3 ALA B 59 11.425 -3.513 11.394 1.00 0.68 H new ATOM 3015 N MET B 60 12.074 -5.405 7.873 1.00 0.52 N ATOM 3016 CA MET B 60 11.222 -6.294 7.088 1.00 0.53 C ATOM 3017 C MET B 60 10.860 -7.570 7.847 1.00 0.60 C ATOM 3018 O MET B 60 11.486 -8.615 7.653 1.00 0.86 O ATOM 3019 CB MET B 60 11.903 -6.639 5.761 1.00 0.56 C ATOM 3020 CG MET B 60 11.791 -5.544 4.711 1.00 0.59 C ATOM 3021 SD MET B 60 12.368 -3.935 5.286 1.00 0.70 S ATOM 3022 CE MET B 60 12.505 -3.058 3.732 1.00 0.94 C ATOM 0 H MET B 60 13.019 -5.298 7.503 1.00 0.52 H new ATOM 0 HA MET B 60 10.291 -5.763 6.891 1.00 0.53 H new ATOM 0 HB2 MET B 60 12.957 -6.845 5.947 1.00 0.56 H new ATOM 0 HB3 MET B 60 11.464 -7.555 5.365 1.00 0.56 H new ATOM 0 HG2 MET B 60 12.366 -5.834 3.832 1.00 0.59 H new ATOM 0 HG3 MET B 60 10.751 -5.457 4.397 1.00 0.59 H new ATOM 0 HE1 MET B 60 13.320 -2.336 3.792 1.00 0.94 H new ATOM 0 HE2 MET B 60 12.707 -3.768 2.930 1.00 0.94 H new ATOM 0 HE3 MET B 60 11.571 -2.535 3.526 1.00 0.94 H new ATOM 3032 N ASP B 61 9.839 -7.481 8.704 1.00 0.56 N ATOM 3033 CA ASP B 61 9.378 -8.634 9.480 1.00 0.63 C ATOM 3034 C ASP B 61 9.199 -9.843 8.573 1.00 0.62 C ATOM 3035 O ASP B 61 8.226 -9.924 7.813 1.00 0.64 O ATOM 3036 CB ASP B 61 8.047 -8.336 10.191 1.00 0.72 C ATOM 3037 CG ASP B 61 7.538 -9.511 11.018 1.00 0.84 C ATOM 3038 OD1 ASP B 61 7.413 -10.635 10.482 1.00 1.16 O ATOM 3039 OD2 ASP B 61 7.250 -9.316 12.214 1.00 1.10 O ATOM 0 H ASP B 61 9.316 -6.622 8.877 1.00 0.56 H new ATOM 0 HA ASP B 61 10.137 -8.846 10.233 1.00 0.63 H new ATOM 0 HB2 ASP B 61 8.174 -7.470 10.840 1.00 0.72 H new ATOM 0 HB3 ASP B 61 7.296 -8.070 9.447 1.00 0.72 H new ATOM 3044 N THR B 62 10.148 -10.768 8.650 1.00 0.67 N ATOM 3045 CA THR B 62 10.115 -11.985 7.850 1.00 0.74 C ATOM 3046 C THR B 62 9.823 -11.678 6.375 1.00 0.69 C ATOM 3047 O THR B 62 9.287 -12.519 5.653 1.00 0.73 O ATOM 3048 CB THR B 62 9.086 -13.002 8.412 1.00 0.83 C ATOM 3049 OG1 THR B 62 7.788 -12.399 8.579 1.00 0.89 O ATOM 3050 CG2 THR B 62 9.562 -13.558 9.747 1.00 1.03 C ATOM 0 H THR B 62 10.958 -10.696 9.266 1.00 0.67 H new ATOM 0 HA THR B 62 11.105 -12.438 7.909 1.00 0.74 H new ATOM 0 HB THR B 62 9.000 -13.814 7.690 1.00 0.83 H new ATOM 0 HG1 THR B 62 7.707 -12.043 9.489 1.00 0.89 H new ATOM 0 HG21 THR B 62 8.829 -14.269 10.127 1.00 1.03 H new ATOM 0 HG22 THR B 62 10.519 -14.061 9.611 1.00 1.03 H new ATOM 0 HG23 THR B 62 9.679 -12.742 10.460 1.00 1.03 H new ATOM 3058 N ASP B 63 10.205 -10.471 5.929 1.00 0.63 N ATOM 3059 CA ASP B 63 9.987 -10.017 4.547 1.00 0.61 C ATOM 3060 C ASP B 63 8.495 -9.868 4.235 1.00 0.61 C ATOM 3061 O ASP B 63 8.060 -8.818 3.761 1.00 0.83 O ATOM 3062 CB ASP B 63 10.649 -10.957 3.536 1.00 0.70 C ATOM 3063 CG ASP B 63 10.972 -10.257 2.223 1.00 0.84 C ATOM 3064 OD1 ASP B 63 10.048 -10.049 1.406 1.00 1.06 O ATOM 3065 OD2 ASP B 63 12.155 -9.907 2.011 1.00 1.00 O ATOM 0 H ASP B 63 10.674 -9.782 6.517 1.00 0.63 H new ATOM 0 HA ASP B 63 10.455 -9.036 4.457 1.00 0.61 H new ATOM 0 HB2 ASP B 63 11.566 -11.361 3.965 1.00 0.70 H new ATOM 0 HB3 ASP B 63 9.988 -11.802 3.342 1.00 0.70 H new ATOM 3070 N GLY B 64 7.718 -10.924 4.508 1.00 0.64 N ATOM 3071 CA GLY B 64 6.281 -10.907 4.271 1.00 0.63 C ATOM 3072 C GLY B 64 5.671 -9.524 4.403 1.00 0.57 C ATOM 3073 O GLY B 64 5.056 -9.022 3.463 1.00 0.61 O ATOM 0 H GLY B 64 8.068 -11.801 4.894 1.00 0.64 H new ATOM 0 HA2 GLY B 64 6.079 -11.292 3.272 1.00 0.63 H new ATOM 0 HA3 GLY B 64 5.795 -11.581 4.977 1.00 0.63 H new ATOM 3077 N LEU B 65 5.850 -8.903 5.564 1.00 0.54 N ATOM 3078 CA LEU B 65 5.315 -7.573 5.807 1.00 0.53 C ATOM 3079 C LEU B 65 6.446 -6.581 6.064 1.00 0.48 C ATOM 3080 O LEU B 65 6.899 -6.408 7.199 1.00 0.56 O ATOM 3081 CB LEU B 65 4.331 -7.586 6.981 1.00 0.62 C ATOM 3082 CG LEU B 65 2.908 -8.035 6.635 1.00 0.80 C ATOM 3083 CD1 LEU B 65 2.875 -9.512 6.280 1.00 1.05 C ATOM 3084 CD2 LEU B 65 1.966 -7.744 7.792 1.00 1.00 C ATOM 0 H LEU B 65 6.362 -9.302 6.351 1.00 0.54 H new ATOM 0 HA LEU B 65 4.773 -7.256 4.916 1.00 0.53 H new ATOM 0 HB2 LEU B 65 4.724 -8.244 7.756 1.00 0.62 H new ATOM 0 HB3 LEU B 65 4.285 -6.584 7.407 1.00 0.62 H new ATOM 0 HG LEU B 65 2.575 -7.471 5.764 1.00 0.80 H new ATOM 0 HD11 LEU B 65 1.853 -9.805 6.038 1.00 1.05 H new ATOM 0 HD12 LEU B 65 3.518 -9.694 5.419 1.00 1.05 H new ATOM 0 HD13 LEU B 65 3.230 -10.098 7.128 1.00 1.05 H new ATOM 0 HD21 LEU B 65 0.959 -8.068 7.531 1.00 1.00 H new ATOM 0 HD22 LEU B 65 2.302 -8.281 8.679 1.00 1.00 H new ATOM 0 HD23 LEU B 65 1.961 -6.673 7.997 1.00 1.00 H new ATOM 3096 N LEU B 66 6.906 -5.949 4.992 1.00 0.44 N ATOM 3097 CA LEU B 66 7.984 -4.972 5.071 1.00 0.42 C ATOM 3098 C LEU B 66 7.515 -3.726 5.821 1.00 0.43 C ATOM 3099 O LEU B 66 6.614 -3.018 5.359 1.00 0.55 O ATOM 3100 CB LEU B 66 8.462 -4.569 3.666 1.00 0.44 C ATOM 3101 CG LEU B 66 8.501 -5.687 2.616 1.00 0.47 C ATOM 3102 CD1 LEU B 66 8.661 -5.096 1.227 1.00 0.53 C ATOM 3103 CD2 LEU B 66 9.622 -6.675 2.908 1.00 0.53 C ATOM 0 H LEU B 66 6.545 -6.098 4.050 1.00 0.44 H new ATOM 0 HA LEU B 66 8.814 -5.431 5.609 1.00 0.42 H new ATOM 0 HB2 LEU B 66 7.812 -3.776 3.297 1.00 0.44 H new ATOM 0 HB3 LEU B 66 9.463 -4.146 3.753 1.00 0.44 H new ATOM 0 HG LEU B 66 7.557 -6.230 2.661 1.00 0.47 H new ATOM 0 HD11 LEU B 66 8.687 -5.899 0.491 1.00 0.53 H new ATOM 0 HD12 LEU B 66 7.821 -4.436 1.014 1.00 0.53 H new ATOM 0 HD13 LEU B 66 9.590 -4.528 1.178 1.00 0.53 H new ATOM 0 HD21 LEU B 66 9.626 -7.456 2.148 1.00 0.53 H new ATOM 0 HD22 LEU B 66 10.579 -6.153 2.897 1.00 0.53 H new ATOM 0 HD23 LEU B 66 9.465 -7.124 3.889 1.00 0.53 H new ATOM 3115 N TYR B 67 8.117 -3.463 6.973 1.00 0.47 N ATOM 3116 CA TYR B 67 7.760 -2.294 7.767 1.00 0.50 C ATOM 3117 C TYR B 67 8.997 -1.755 8.488 1.00 0.47 C ATOM 3118 O TYR B 67 10.100 -2.271 8.303 1.00 0.49 O ATOM 3119 CB TYR B 67 6.643 -2.637 8.769 1.00 0.60 C ATOM 3120 CG TYR B 67 7.131 -3.182 10.096 1.00 0.65 C ATOM 3121 CD1 TYR B 67 7.657 -4.463 10.197 1.00 0.78 C ATOM 3122 CD2 TYR B 67 7.061 -2.409 11.249 1.00 0.76 C ATOM 3123 CE1 TYR B 67 8.097 -4.958 11.409 1.00 0.92 C ATOM 3124 CE2 TYR B 67 7.500 -2.899 12.462 1.00 0.91 C ATOM 3125 CZ TYR B 67 8.017 -4.175 12.538 1.00 0.95 C ATOM 3126 OH TYR B 67 8.452 -4.671 13.747 1.00 1.15 O ATOM 0 H TYR B 67 8.853 -4.041 7.378 1.00 0.47 H new ATOM 0 HA TYR B 67 7.382 -1.518 7.101 1.00 0.50 H new ATOM 0 HB2 TYR B 67 6.052 -1.740 8.955 1.00 0.60 H new ATOM 0 HB3 TYR B 67 5.977 -3.369 8.313 1.00 0.60 H new ATOM 0 HD1 TYR B 67 7.723 -5.082 9.314 1.00 0.78 H new ATOM 0 HD2 TYR B 67 6.657 -1.409 11.195 1.00 0.76 H new ATOM 0 HE1 TYR B 67 8.503 -5.957 11.471 1.00 0.92 H new ATOM 0 HE2 TYR B 67 7.439 -2.285 13.349 1.00 0.91 H new ATOM 0 HH TYR B 67 8.327 -3.992 14.443 1.00 1.15 H new ATOM 3136 N GLY B 68 8.815 -0.715 9.293 1.00 0.54 N ATOM 3137 CA GLY B 68 9.926 -0.136 10.020 1.00 0.55 C ATOM 3138 C GLY B 68 9.503 1.048 10.854 1.00 0.53 C ATOM 3139 O GLY B 68 8.465 1.650 10.589 1.00 0.63 O ATOM 0 H GLY B 68 7.915 -0.262 9.455 1.00 0.54 H new ATOM 0 HA2 GLY B 68 10.370 -0.893 10.666 1.00 0.55 H new ATOM 0 HA3 GLY B 68 10.697 0.175 9.315 1.00 0.55 H new ATOM 3143 N SER B 69 10.305 1.395 11.848 1.00 0.50 N ATOM 3144 CA SER B 69 9.993 2.520 12.709 1.00 0.52 C ATOM 3145 C SER B 69 11.122 2.807 13.701 1.00 0.60 C ATOM 3146 O SER B 69 11.873 3.767 13.526 1.00 0.75 O ATOM 3147 CB SER B 69 8.679 2.270 13.457 1.00 0.64 C ATOM 3148 OG SER B 69 8.300 3.404 14.223 1.00 0.78 O ATOM 0 H SER B 69 11.175 0.914 12.077 1.00 0.50 H new ATOM 0 HA SER B 69 9.881 3.399 12.074 1.00 0.52 H new ATOM 0 HB2 SER B 69 7.891 2.030 12.743 1.00 0.64 H new ATOM 0 HB3 SER B 69 8.789 1.406 14.112 1.00 0.64 H new ATOM 0 HG SER B 69 7.498 3.810 13.832 1.00 0.78 H new ATOM 3154 N GLN B 70 11.266 1.953 14.711 1.00 0.71 N ATOM 3155 CA GLN B 70 12.264 2.170 15.754 1.00 0.93 C ATOM 3156 C GLN B 70 13.513 1.300 15.587 1.00 0.74 C ATOM 3157 O GLN B 70 14.621 1.820 15.467 1.00 1.12 O ATOM 3158 CB GLN B 70 11.650 1.897 17.135 1.00 1.33 C ATOM 3159 CG GLN B 70 10.337 2.625 17.402 1.00 1.54 C ATOM 3160 CD GLN B 70 10.476 4.132 17.338 1.00 1.73 C ATOM 3161 OE1 GLN B 70 10.939 4.760 18.292 1.00 2.18 O ATOM 3162 NE2 GLN B 70 10.052 4.727 16.233 1.00 1.58 N ATOM 0 H GLN B 70 10.707 1.108 14.829 1.00 0.71 H new ATOM 0 HA GLN B 70 12.576 3.211 15.666 1.00 0.93 H new ATOM 0 HB2 GLN B 70 11.483 0.825 17.238 1.00 1.33 H new ATOM 0 HB3 GLN B 70 12.371 2.183 17.901 1.00 1.33 H new ATOM 0 HG2 GLN B 70 9.594 2.302 16.673 1.00 1.54 H new ATOM 0 HG3 GLN B 70 9.963 2.341 18.386 1.00 1.54 H new ATOM 0 HE21 GLN B 70 9.675 4.170 15.466 1.00 1.58 H new ATOM 0 HE22 GLN B 70 10.102 5.742 16.149 1.00 1.58 H new ATOM 3171 N THR B 71 13.329 -0.017 15.573 1.00 0.68 N ATOM 3172 CA THR B 71 14.455 -0.947 15.496 1.00 0.84 C ATOM 3173 C THR B 71 14.818 -1.384 14.074 1.00 0.68 C ATOM 3174 O THR B 71 14.034 -2.056 13.405 1.00 0.67 O ATOM 3175 CB THR B 71 14.166 -2.209 16.332 1.00 1.27 C ATOM 3176 OG1 THR B 71 12.776 -2.567 16.219 1.00 1.37 O ATOM 3177 CG2 THR B 71 14.521 -1.978 17.790 1.00 1.69 C ATOM 0 H THR B 71 12.414 -0.465 15.614 1.00 0.68 H new ATOM 0 HA THR B 71 15.307 -0.393 15.890 1.00 0.84 H new ATOM 0 HB THR B 71 14.780 -3.024 15.949 1.00 1.27 H new ATOM 0 HG1 THR B 71 12.601 -3.371 16.752 1.00 1.37 H new ATOM 0 HG21 THR B 71 14.310 -2.881 18.363 1.00 1.69 H new ATOM 0 HG22 THR B 71 15.580 -1.735 17.872 1.00 1.69 H new ATOM 0 HG23 THR B 71 13.928 -1.152 18.182 1.00 1.69 H new ATOM 3185 N PRO B 72 16.026 -1.012 13.610 1.00 0.71 N ATOM 3186 CA PRO B 72 16.543 -1.403 12.304 1.00 0.69 C ATOM 3187 C PRO B 72 17.362 -2.688 12.439 1.00 0.67 C ATOM 3188 O PRO B 72 18.544 -2.740 12.091 1.00 0.74 O ATOM 3189 CB PRO B 72 17.433 -0.217 11.925 1.00 0.86 C ATOM 3190 CG PRO B 72 17.868 0.397 13.224 1.00 0.95 C ATOM 3191 CD PRO B 72 16.994 -0.167 14.321 1.00 0.90 C ATOM 0 HA PRO B 72 15.773 -1.608 11.560 1.00 0.69 H new ATOM 0 HB2 PRO B 72 18.292 -0.544 11.339 1.00 0.86 H new ATOM 0 HB3 PRO B 72 16.887 0.503 11.315 1.00 0.86 H new ATOM 0 HG2 PRO B 72 18.917 0.174 13.419 1.00 0.95 H new ATOM 0 HG3 PRO B 72 17.776 1.482 13.183 1.00 0.95 H new ATOM 0 HD2 PRO B 72 17.577 -0.745 15.037 1.00 0.90 H new ATOM 0 HD3 PRO B 72 16.496 0.625 14.881 1.00 0.90 H new ATOM 3199 N ASN B 73 16.714 -3.716 12.978 1.00 0.66 N ATOM 3200 CA ASN B 73 17.351 -5.009 13.232 1.00 0.68 C ATOM 3201 C ASN B 73 17.740 -5.734 11.937 1.00 0.64 C ATOM 3202 O ASN B 73 17.482 -5.245 10.838 1.00 0.62 O ATOM 3203 CB ASN B 73 16.401 -5.876 14.073 1.00 0.75 C ATOM 3204 CG ASN B 73 17.074 -7.098 14.677 1.00 0.89 C ATOM 3205 OD1 ASN B 73 18.301 -7.171 14.760 1.00 1.03 O ATOM 3206 ND2 ASN B 73 16.277 -8.063 15.105 1.00 1.24 N ATOM 0 H ASN B 73 15.732 -3.679 13.252 1.00 0.66 H new ATOM 0 HA ASN B 73 18.278 -4.831 13.777 1.00 0.68 H new ATOM 0 HB2 ASN B 73 15.981 -5.269 14.875 1.00 0.75 H new ATOM 0 HB3 ASN B 73 15.569 -6.200 13.449 1.00 0.75 H new ATOM 0 HD21 ASN B 73 16.674 -8.905 15.522 1.00 1.24 H new ATOM 0 HD22 ASN B 73 15.265 -7.965 15.019 1.00 1.24 H new ATOM 3213 N GLU B 74 18.381 -6.898 12.095 1.00 0.69 N ATOM 3214 CA GLU B 74 18.817 -7.748 10.980 1.00 0.70 C ATOM 3215 C GLU B 74 17.817 -7.772 9.818 1.00 0.65 C ATOM 3216 O GLU B 74 18.205 -7.941 8.665 1.00 0.81 O ATOM 3217 CB GLU B 74 19.048 -9.173 11.486 1.00 0.88 C ATOM 3218 CG GLU B 74 17.928 -9.687 12.385 1.00 0.97 C ATOM 3219 CD GLU B 74 18.157 -11.102 12.877 1.00 1.24 C ATOM 3220 OE1 GLU B 74 19.325 -11.529 12.969 1.00 1.57 O ATOM 3221 OE2 GLU B 74 17.160 -11.791 13.181 1.00 1.85 O ATOM 0 H GLU B 74 18.614 -7.281 13.011 1.00 0.69 H new ATOM 0 HA GLU B 74 19.743 -7.321 10.595 1.00 0.70 H new ATOM 0 HB2 GLU B 74 19.153 -9.841 10.631 1.00 0.88 H new ATOM 0 HB3 GLU B 74 19.989 -9.207 12.035 1.00 0.88 H new ATOM 0 HG2 GLU B 74 17.827 -9.023 13.243 1.00 0.97 H new ATOM 0 HG3 GLU B 74 16.986 -9.648 11.839 1.00 0.97 H new ATOM 3228 N GLU B 75 16.535 -7.597 10.115 1.00 0.65 N ATOM 3229 CA GLU B 75 15.508 -7.588 9.076 1.00 0.66 C ATOM 3230 C GLU B 75 15.642 -6.356 8.152 1.00 0.62 C ATOM 3231 O GLU B 75 14.800 -6.149 7.275 1.00 0.82 O ATOM 3232 CB GLU B 75 14.114 -7.609 9.717 1.00 0.75 C ATOM 3233 CG GLU B 75 13.926 -8.693 10.776 1.00 0.81 C ATOM 3234 CD GLU B 75 13.717 -10.079 10.191 1.00 0.95 C ATOM 3235 OE1 GLU B 75 12.614 -10.349 9.665 1.00 1.19 O ATOM 3236 OE2 GLU B 75 14.641 -10.914 10.267 1.00 1.39 O ATOM 0 H GLU B 75 16.181 -7.460 11.062 1.00 0.65 H new ATOM 0 HA GLU B 75 15.644 -8.481 8.466 1.00 0.66 H new ATOM 0 HB2 GLU B 75 13.921 -6.637 10.171 1.00 0.75 H new ATOM 0 HB3 GLU B 75 13.369 -7.749 8.934 1.00 0.75 H new ATOM 0 HG2 GLU B 75 14.800 -8.710 11.427 1.00 0.81 H new ATOM 0 HG3 GLU B 75 13.069 -8.437 11.399 1.00 0.81 H new ATOM 3243 N CYS B 76 16.686 -5.538 8.356 1.00 0.59 N ATOM 3244 CA CYS B 76 16.906 -4.339 7.548 1.00 0.66 C ATOM 3245 C CYS B 76 18.156 -4.431 6.651 1.00 0.63 C ATOM 3246 O CYS B 76 18.478 -3.471 5.948 1.00 0.68 O ATOM 3247 CB CYS B 76 17.040 -3.130 8.477 1.00 0.78 C ATOM 3248 SG CYS B 76 16.754 -1.532 7.679 1.00 1.00 S ATOM 0 H CYS B 76 17.391 -5.690 9.077 1.00 0.59 H new ATOM 0 HA CYS B 76 16.047 -4.236 6.885 1.00 0.66 H new ATOM 0 HB2 CYS B 76 16.335 -3.241 9.301 1.00 0.78 H new ATOM 0 HB3 CYS B 76 18.040 -3.131 8.911 1.00 0.78 H new ATOM 0 HG CYS B 76 15.747 -0.938 8.247 1.00 1.00 H new ATOM 3254 N LEU B 77 18.869 -5.563 6.662 1.00 0.61 N ATOM 3255 CA LEU B 77 20.068 -5.692 5.823 1.00 0.63 C ATOM 3256 C LEU B 77 19.737 -6.365 4.496 1.00 0.57 C ATOM 3257 O LEU B 77 19.249 -7.498 4.461 1.00 0.62 O ATOM 3258 CB LEU B 77 21.209 -6.439 6.538 1.00 0.72 C ATOM 3259 CG LEU B 77 20.800 -7.545 7.516 1.00 0.79 C ATOM 3260 CD1 LEU B 77 20.227 -8.745 6.778 1.00 1.05 C ATOM 3261 CD2 LEU B 77 21.990 -7.962 8.369 1.00 0.93 C ATOM 0 H LEU B 77 18.646 -6.383 7.226 1.00 0.61 H new ATOM 0 HA LEU B 77 20.421 -4.680 5.624 1.00 0.63 H new ATOM 0 HB2 LEU B 77 21.856 -6.878 5.779 1.00 0.72 H new ATOM 0 HB3 LEU B 77 21.806 -5.707 7.082 1.00 0.72 H new ATOM 0 HG LEU B 77 20.022 -7.150 8.169 1.00 0.79 H new ATOM 0 HD11 LEU B 77 19.945 -9.514 7.497 1.00 1.05 H new ATOM 0 HD12 LEU B 77 19.347 -8.438 6.212 1.00 1.05 H new ATOM 0 HD13 LEU B 77 20.977 -9.144 6.095 1.00 1.05 H new ATOM 0 HD21 LEU B 77 21.685 -8.748 9.059 1.00 0.93 H new ATOM 0 HD22 LEU B 77 22.787 -8.334 7.725 1.00 0.93 H new ATOM 0 HD23 LEU B 77 22.351 -7.103 8.934 1.00 0.93 H new ATOM 3273 N PHE B 78 20.003 -5.659 3.401 1.00 0.53 N ATOM 3274 CA PHE B 78 19.720 -6.178 2.071 1.00 0.51 C ATOM 3275 C PHE B 78 20.949 -6.091 1.173 1.00 0.52 C ATOM 3276 O PHE B 78 21.669 -5.089 1.178 1.00 0.55 O ATOM 3277 CB PHE B 78 18.560 -5.407 1.435 1.00 0.50 C ATOM 3278 CG PHE B 78 17.354 -5.296 2.326 1.00 0.53 C ATOM 3279 CD1 PHE B 78 17.249 -4.256 3.239 1.00 0.65 C ATOM 3280 CD2 PHE B 78 16.332 -6.230 2.261 1.00 0.62 C ATOM 3281 CE1 PHE B 78 16.151 -4.152 4.067 1.00 0.76 C ATOM 3282 CE2 PHE B 78 15.231 -6.128 3.090 1.00 0.73 C ATOM 3283 CZ PHE B 78 15.142 -5.089 3.994 1.00 0.76 C ATOM 0 H PHE B 78 20.414 -4.726 3.411 1.00 0.53 H new ATOM 0 HA PHE B 78 19.442 -7.227 2.175 1.00 0.51 H new ATOM 0 HB2 PHE B 78 18.901 -4.406 1.172 1.00 0.50 H new ATOM 0 HB3 PHE B 78 18.272 -5.900 0.507 1.00 0.50 H new ATOM 0 HD1 PHE B 78 18.036 -3.519 3.302 1.00 0.65 H new ATOM 0 HD2 PHE B 78 16.397 -7.045 1.556 1.00 0.62 H new ATOM 0 HE1 PHE B 78 16.081 -3.337 4.772 1.00 0.76 H new ATOM 0 HE2 PHE B 78 14.440 -6.861 3.030 1.00 0.73 H new ATOM 0 HZ PHE B 78 14.283 -5.010 4.644 1.00 0.76 H new ATOM 3293 N LEU B 79 21.182 -7.154 0.413 1.00 0.53 N ATOM 3294 CA LEU B 79 22.303 -7.211 -0.508 1.00 0.56 C ATOM 3295 C LEU B 79 21.913 -6.534 -1.817 1.00 0.54 C ATOM 3296 O LEU B 79 20.952 -6.948 -2.473 1.00 0.53 O ATOM 3297 CB LEU B 79 22.722 -8.667 -0.751 1.00 0.61 C ATOM 3298 CG LEU B 79 24.010 -8.858 -1.555 1.00 0.69 C ATOM 3299 CD1 LEU B 79 24.725 -10.123 -1.109 1.00 1.24 C ATOM 3300 CD2 LEU B 79 23.708 -8.917 -3.047 1.00 1.18 C ATOM 0 H LEU B 79 20.602 -7.993 0.419 1.00 0.53 H new ATOM 0 HA LEU B 79 23.155 -6.686 -0.076 1.00 0.56 H new ATOM 0 HB2 LEU B 79 22.841 -9.158 0.215 1.00 0.61 H new ATOM 0 HB3 LEU B 79 21.911 -9.178 -1.270 1.00 0.61 H new ATOM 0 HG LEU B 79 24.662 -8.004 -1.371 1.00 0.69 H new ATOM 0 HD11 LEU B 79 25.640 -10.248 -1.689 1.00 1.24 H new ATOM 0 HD12 LEU B 79 24.974 -10.046 -0.051 1.00 1.24 H new ATOM 0 HD13 LEU B 79 24.075 -10.983 -1.268 1.00 1.24 H new ATOM 0 HD21 LEU B 79 24.637 -9.053 -3.601 1.00 1.18 H new ATOM 0 HD22 LEU B 79 23.039 -9.753 -3.250 1.00 1.18 H new ATOM 0 HD23 LEU B 79 23.232 -7.987 -3.359 1.00 1.18 H new ATOM 3312 N GLU B 80 22.654 -5.497 -2.184 1.00 0.58 N ATOM 3313 CA GLU B 80 22.381 -4.735 -3.397 1.00 0.59 C ATOM 3314 C GLU B 80 22.582 -5.578 -4.656 1.00 0.60 C ATOM 3315 O GLU B 80 23.602 -6.259 -4.809 1.00 0.68 O ATOM 3316 CB GLU B 80 23.276 -3.498 -3.457 1.00 0.68 C ATOM 3317 CG GLU B 80 22.878 -2.513 -4.543 1.00 0.74 C ATOM 3318 CD GLU B 80 24.060 -1.749 -5.096 1.00 0.94 C ATOM 3319 OE1 GLU B 80 24.595 -0.872 -4.390 1.00 1.17 O ATOM 3320 OE2 GLU B 80 24.456 -2.021 -6.248 1.00 1.18 O ATOM 0 H GLU B 80 23.457 -5.161 -1.653 1.00 0.58 H new ATOM 0 HA GLU B 80 21.335 -4.429 -3.361 1.00 0.59 H new ATOM 0 HB2 GLU B 80 23.249 -2.993 -2.492 1.00 0.68 H new ATOM 0 HB3 GLU B 80 24.306 -3.813 -3.623 1.00 0.68 H new ATOM 0 HG2 GLU B 80 22.386 -3.051 -5.354 1.00 0.74 H new ATOM 0 HG3 GLU B 80 22.151 -1.808 -4.140 1.00 0.74 H new ATOM 3327 N ARG B 81 21.600 -5.524 -5.549 1.00 0.57 N ATOM 3328 CA ARG B 81 21.642 -6.259 -6.808 1.00 0.59 C ATOM 3329 C ARG B 81 21.014 -5.424 -7.923 1.00 0.60 C ATOM 3330 O ARG B 81 19.802 -5.209 -7.937 1.00 0.78 O ATOM 3331 CB ARG B 81 20.898 -7.594 -6.663 1.00 0.61 C ATOM 3332 CG ARG B 81 20.849 -8.412 -7.939 1.00 0.70 C ATOM 3333 CD ARG B 81 22.231 -8.895 -8.341 1.00 0.81 C ATOM 3334 NE ARG B 81 22.189 -9.777 -9.506 1.00 1.02 N ATOM 3335 CZ ARG B 81 23.264 -10.378 -10.023 1.00 1.21 C ATOM 3336 NH1 ARG B 81 24.466 -10.179 -9.486 1.00 1.34 N ATOM 3337 NH2 ARG B 81 23.137 -11.175 -11.081 1.00 1.47 N ATOM 0 H ARG B 81 20.753 -4.970 -5.421 1.00 0.57 H new ATOM 0 HA ARG B 81 22.682 -6.462 -7.064 1.00 0.59 H new ATOM 0 HB2 ARG B 81 21.379 -8.184 -5.883 1.00 0.61 H new ATOM 0 HB3 ARG B 81 19.879 -7.397 -6.330 1.00 0.61 H new ATOM 0 HG2 ARG B 81 20.189 -9.268 -7.799 1.00 0.70 H new ATOM 0 HG3 ARG B 81 20.424 -7.810 -8.743 1.00 0.70 H new ATOM 0 HD2 ARG B 81 22.865 -8.036 -8.560 1.00 0.81 H new ATOM 0 HD3 ARG B 81 22.688 -9.423 -7.504 1.00 0.81 H new ATOM 0 HE ARG B 81 21.286 -9.943 -9.950 1.00 1.02 H new ATOM 0 HH11 ARG B 81 24.568 -9.566 -8.677 1.00 1.34 H new ATOM 0 HH12 ARG B 81 25.285 -10.640 -9.883 1.00 1.34 H new ATOM 0 HH21 ARG B 81 22.218 -11.327 -11.498 1.00 1.47 H new ATOM 0 HH22 ARG B 81 23.958 -11.634 -11.475 1.00 1.47 H new ATOM 3351 N LEU B 82 21.830 -4.945 -8.849 1.00 0.60 N ATOM 3352 CA LEU B 82 21.331 -4.126 -9.954 1.00 0.61 C ATOM 3353 C LEU B 82 20.892 -5.001 -11.126 1.00 0.62 C ATOM 3354 O LEU B 82 21.507 -6.034 -11.400 1.00 0.67 O ATOM 3355 CB LEU B 82 22.408 -3.138 -10.411 1.00 0.65 C ATOM 3356 CG LEU B 82 23.024 -2.289 -9.299 1.00 0.70 C ATOM 3357 CD1 LEU B 82 24.029 -1.308 -9.875 1.00 0.79 C ATOM 3358 CD2 LEU B 82 21.938 -1.555 -8.530 1.00 0.77 C ATOM 0 H LEU B 82 22.837 -5.106 -8.862 1.00 0.60 H new ATOM 0 HA LEU B 82 20.465 -3.568 -9.598 1.00 0.61 H new ATOM 0 HB2 LEU B 82 23.204 -3.695 -10.905 1.00 0.65 H new ATOM 0 HB3 LEU B 82 21.975 -2.472 -11.157 1.00 0.65 H new ATOM 0 HG LEU B 82 23.548 -2.949 -8.608 1.00 0.70 H new ATOM 0 HD11 LEU B 82 24.458 -0.712 -9.070 1.00 0.79 H new ATOM 0 HD12 LEU B 82 24.823 -1.856 -10.383 1.00 0.79 H new ATOM 0 HD13 LEU B 82 23.529 -0.651 -10.587 1.00 0.79 H new ATOM 0 HD21 LEU B 82 22.393 -0.955 -7.742 1.00 0.77 H new ATOM 0 HD22 LEU B 82 21.387 -0.904 -9.209 1.00 0.77 H new ATOM 0 HD23 LEU B 82 21.254 -2.278 -8.086 1.00 0.77 H new ATOM 3370 N GLU B 83 19.825 -4.588 -11.808 1.00 0.63 N ATOM 3371 CA GLU B 83 19.311 -5.339 -12.951 1.00 0.64 C ATOM 3372 C GLU B 83 19.557 -4.584 -14.260 1.00 0.65 C ATOM 3373 O GLU B 83 19.348 -3.367 -14.343 1.00 0.64 O ATOM 3374 CB GLU B 83 17.814 -5.623 -12.779 1.00 0.65 C ATOM 3375 CG GLU B 83 17.249 -6.555 -13.841 1.00 0.76 C ATOM 3376 CD GLU B 83 15.773 -6.853 -13.654 1.00 0.77 C ATOM 3377 OE1 GLU B 83 14.933 -6.007 -14.031 1.00 0.80 O ATOM 3378 OE2 GLU B 83 15.444 -7.948 -13.151 1.00 0.93 O ATOM 0 H GLU B 83 19.301 -3.740 -11.590 1.00 0.63 H new ATOM 0 HA GLU B 83 19.846 -6.287 -12.997 1.00 0.64 H new ATOM 0 HB2 GLU B 83 17.646 -6.061 -11.795 1.00 0.65 H new ATOM 0 HB3 GLU B 83 17.268 -4.680 -12.806 1.00 0.65 H new ATOM 0 HG2 GLU B 83 17.401 -6.109 -14.824 1.00 0.76 H new ATOM 0 HG3 GLU B 83 17.806 -7.492 -13.826 1.00 0.76 H new ATOM 3385 N GLU B 84 19.980 -5.325 -15.281 1.00 0.69 N ATOM 3386 CA GLU B 84 20.272 -4.763 -16.602 1.00 0.72 C ATOM 3387 C GLU B 84 19.116 -3.907 -17.121 1.00 0.70 C ATOM 3388 O GLU B 84 19.327 -2.950 -17.865 1.00 0.80 O ATOM 3389 CB GLU B 84 20.579 -5.879 -17.606 1.00 0.78 C ATOM 3390 CG GLU B 84 19.509 -6.963 -17.677 1.00 0.83 C ATOM 3391 CD GLU B 84 19.773 -8.120 -16.730 1.00 0.95 C ATOM 3392 OE1 GLU B 84 19.742 -7.910 -15.497 1.00 1.05 O ATOM 3393 OE2 GLU B 84 20.019 -9.243 -17.212 1.00 1.15 O ATOM 0 H GLU B 84 20.131 -6.332 -15.219 1.00 0.69 H new ATOM 0 HA GLU B 84 21.147 -4.123 -16.494 1.00 0.72 H new ATOM 0 HB2 GLU B 84 20.702 -5.439 -18.596 1.00 0.78 H new ATOM 0 HB3 GLU B 84 21.531 -6.340 -17.341 1.00 0.78 H new ATOM 0 HG2 GLU B 84 18.539 -6.524 -17.444 1.00 0.83 H new ATOM 0 HG3 GLU B 84 19.451 -7.342 -18.697 1.00 0.83 H new ATOM 3400 N ASN B 85 17.899 -4.242 -16.709 1.00 0.69 N ATOM 3401 CA ASN B 85 16.706 -3.506 -17.127 1.00 0.68 C ATOM 3402 C ASN B 85 16.665 -2.094 -16.512 1.00 0.66 C ATOM 3403 O ASN B 85 15.669 -1.384 -16.659 1.00 0.76 O ATOM 3404 CB ASN B 85 15.449 -4.292 -16.724 1.00 0.69 C ATOM 3405 CG ASN B 85 14.243 -4.052 -17.627 1.00 0.73 C ATOM 3406 OD1 ASN B 85 13.514 -4.990 -17.957 1.00 0.83 O ATOM 3407 ND2 ASN B 85 14.001 -2.808 -18.021 1.00 0.79 N ATOM 0 H ASN B 85 17.709 -5.024 -16.082 1.00 0.69 H new ATOM 0 HA ASN B 85 16.739 -3.394 -18.211 1.00 0.68 H new ATOM 0 HB2 ASN B 85 15.684 -5.356 -16.726 1.00 0.69 H new ATOM 0 HB3 ASN B 85 15.181 -4.027 -15.701 1.00 0.69 H new ATOM 0 HD21 ASN B 85 13.194 -2.608 -18.612 1.00 0.79 H new ATOM 0 HD22 ASN B 85 14.622 -2.052 -17.732 1.00 0.79 H new ATOM 3414 N HIS B 86 17.737 -1.696 -15.815 1.00 0.64 N ATOM 3415 CA HIS B 86 17.831 -0.379 -15.191 1.00 0.63 C ATOM 3416 C HIS B 86 16.980 -0.332 -13.926 1.00 0.57 C ATOM 3417 O HIS B 86 16.145 0.559 -13.753 1.00 0.59 O ATOM 3418 CB HIS B 86 17.423 0.740 -16.164 1.00 0.67 C ATOM 3419 CG HIS B 86 17.700 2.117 -15.639 1.00 0.73 C ATOM 3420 ND1 HIS B 86 16.727 2.919 -15.083 1.00 0.97 N ATOM 3421 CD2 HIS B 86 18.851 2.829 -15.577 1.00 0.91 C ATOM 3422 CE1 HIS B 86 17.264 4.062 -14.705 1.00 0.97 C ATOM 3423 NE2 HIS B 86 18.552 4.035 -14.991 1.00 0.90 N ATOM 0 H HIS B 86 18.560 -2.281 -15.670 1.00 0.64 H new ATOM 0 HA HIS B 86 18.873 -0.211 -14.920 1.00 0.63 H new ATOM 0 HB2 HIS B 86 17.955 0.604 -17.105 1.00 0.67 H new ATOM 0 HB3 HIS B 86 16.359 0.650 -16.384 1.00 0.67 H new ATOM 0 HD2 HIS B 86 19.822 2.508 -15.924 1.00 0.91 H new ATOM 0 HE1 HIS B 86 16.738 4.883 -14.240 1.00 0.97 H new ATOM 0 HE2 HIS B 86 19.217 4.787 -14.807 1.00 0.90 H new ATOM 3432 N TYR B 87 17.200 -1.305 -13.049 1.00 0.55 N ATOM 3433 CA TYR B 87 16.469 -1.393 -11.792 1.00 0.52 C ATOM 3434 C TYR B 87 17.383 -1.871 -10.674 1.00 0.51 C ATOM 3435 O TYR B 87 18.387 -2.546 -10.927 1.00 0.55 O ATOM 3436 CB TYR B 87 15.278 -2.340 -11.923 1.00 0.52 C ATOM 3437 CG TYR B 87 14.187 -1.826 -12.835 1.00 0.53 C ATOM 3438 CD1 TYR B 87 13.475 -0.676 -12.519 1.00 0.53 C ATOM 3439 CD2 TYR B 87 13.870 -2.491 -14.010 1.00 0.67 C ATOM 3440 CE1 TYR B 87 12.479 -0.203 -13.350 1.00 0.56 C ATOM 3441 CE2 TYR B 87 12.877 -2.025 -14.846 1.00 0.74 C ATOM 3442 CZ TYR B 87 12.184 -0.882 -14.513 1.00 0.64 C ATOM 3443 OH TYR B 87 11.191 -0.418 -15.348 1.00 0.73 O ATOM 0 H TYR B 87 17.884 -2.049 -13.188 1.00 0.55 H new ATOM 0 HA TYR B 87 16.101 -0.396 -11.548 1.00 0.52 H new ATOM 0 HB2 TYR B 87 15.630 -3.301 -12.298 1.00 0.52 H new ATOM 0 HB3 TYR B 87 14.857 -2.519 -10.933 1.00 0.52 H new ATOM 0 HD1 TYR B 87 13.704 -0.143 -11.608 1.00 0.53 H new ATOM 0 HD2 TYR B 87 14.410 -3.388 -14.275 1.00 0.67 H new ATOM 0 HE1 TYR B 87 11.935 0.693 -13.091 1.00 0.56 H new ATOM 0 HE2 TYR B 87 12.644 -2.554 -15.758 1.00 0.74 H new ATOM 0 HH TYR B 87 11.112 -1.012 -16.124 1.00 0.73 H new ATOM 3453 N ASN B 88 17.027 -1.517 -9.448 1.00 0.48 N ATOM 3454 CA ASN B 88 17.802 -1.889 -8.275 1.00 0.49 C ATOM 3455 C ASN B 88 17.062 -2.918 -7.431 1.00 0.48 C ATOM 3456 O ASN B 88 15.928 -2.690 -7.006 1.00 0.55 O ATOM 3457 CB ASN B 88 18.097 -0.658 -7.411 1.00 0.51 C ATOM 3458 CG ASN B 88 19.264 0.172 -7.917 1.00 0.65 C ATOM 3459 OD1 ASN B 88 19.497 0.277 -9.120 1.00 0.86 O ATOM 3460 ND2 ASN B 88 20.001 0.777 -6.994 1.00 0.72 N ATOM 0 H ASN B 88 16.195 -0.965 -9.239 1.00 0.48 H new ATOM 0 HA ASN B 88 18.738 -2.323 -8.628 1.00 0.49 H new ATOM 0 HB2 ASN B 88 17.206 -0.031 -7.370 1.00 0.51 H new ATOM 0 HB3 ASN B 88 18.307 -0.981 -6.391 1.00 0.51 H new ATOM 0 HD21 ASN B 88 20.794 1.355 -7.273 1.00 0.72 H new ATOM 0 HD22 ASN B 88 19.774 0.664 -6.006 1.00 0.72 H new ATOM 3467 N THR B 89 17.709 -4.044 -7.196 1.00 0.51 N ATOM 3468 CA THR B 89 17.147 -5.105 -6.376 1.00 0.51 C ATOM 3469 C THR B 89 17.968 -5.226 -5.095 1.00 0.50 C ATOM 3470 O THR B 89 19.166 -4.923 -5.094 1.00 0.54 O ATOM 3471 CB THR B 89 17.132 -6.469 -7.109 1.00 0.56 C ATOM 3472 OG1 THR B 89 17.623 -6.333 -8.456 1.00 0.63 O ATOM 3473 CG2 THR B 89 15.726 -7.050 -7.142 1.00 0.66 C ATOM 0 H THR B 89 18.637 -4.250 -7.566 1.00 0.51 H new ATOM 0 HA THR B 89 16.113 -4.844 -6.152 1.00 0.51 H new ATOM 0 HB THR B 89 17.785 -7.145 -6.558 1.00 0.56 H new ATOM 0 HG1 THR B 89 18.589 -6.169 -8.437 1.00 0.63 H new ATOM 0 HG21 THR B 89 15.740 -8.008 -7.662 1.00 0.66 H new ATOM 0 HG22 THR B 89 15.368 -7.196 -6.123 1.00 0.66 H new ATOM 0 HG23 THR B 89 15.061 -6.363 -7.665 1.00 0.66 H new ATOM 3481 N TYR B 90 17.339 -5.642 -4.005 1.00 0.48 N ATOM 3482 CA TYR B 90 18.042 -5.773 -2.735 1.00 0.49 C ATOM 3483 C TYR B 90 17.635 -7.060 -2.025 1.00 0.50 C ATOM 3484 O TYR B 90 16.516 -7.184 -1.533 1.00 0.54 O ATOM 3485 CB TYR B 90 17.770 -4.545 -1.859 1.00 0.48 C ATOM 3486 CG TYR B 90 18.041 -3.235 -2.578 1.00 0.49 C ATOM 3487 CD1 TYR B 90 19.336 -2.752 -2.716 1.00 0.55 C ATOM 3488 CD2 TYR B 90 17.005 -2.496 -3.136 1.00 0.54 C ATOM 3489 CE1 TYR B 90 19.591 -1.569 -3.385 1.00 0.58 C ATOM 3490 CE2 TYR B 90 17.253 -1.315 -3.812 1.00 0.58 C ATOM 3491 CZ TYR B 90 18.547 -0.854 -3.933 1.00 0.56 C ATOM 3492 OH TYR B 90 18.800 0.324 -4.607 1.00 0.63 O ATOM 0 H TYR B 90 16.351 -5.893 -3.973 1.00 0.48 H new ATOM 0 HA TYR B 90 19.114 -5.828 -2.927 1.00 0.49 H new ATOM 0 HB2 TYR B 90 16.732 -4.564 -1.528 1.00 0.48 H new ATOM 0 HB3 TYR B 90 18.391 -4.598 -0.965 1.00 0.48 H new ATOM 0 HD1 TYR B 90 20.158 -3.310 -2.293 1.00 0.55 H new ATOM 0 HD2 TYR B 90 15.989 -2.850 -3.040 1.00 0.54 H new ATOM 0 HE1 TYR B 90 20.604 -1.206 -3.478 1.00 0.58 H new ATOM 0 HE2 TYR B 90 16.436 -0.756 -4.244 1.00 0.58 H new ATOM 0 HH TYR B 90 17.957 0.702 -4.932 1.00 0.63 H new ATOM 3502 N ILE B 91 18.554 -8.016 -1.972 1.00 0.52 N ATOM 3503 CA ILE B 91 18.281 -9.306 -1.350 1.00 0.55 C ATOM 3504 C ILE B 91 18.490 -9.253 0.154 1.00 0.54 C ATOM 3505 O ILE B 91 19.610 -9.052 0.626 1.00 0.55 O ATOM 3506 CB ILE B 91 19.168 -10.424 -1.942 1.00 0.61 C ATOM 3507 CG1 ILE B 91 19.008 -10.486 -3.464 1.00 0.66 C ATOM 3508 CG2 ILE B 91 18.822 -11.768 -1.315 1.00 0.65 C ATOM 3509 CD1 ILE B 91 19.955 -11.458 -4.140 1.00 0.74 C ATOM 0 H ILE B 91 19.496 -7.922 -2.353 1.00 0.52 H new ATOM 0 HA ILE B 91 17.236 -9.534 -1.559 1.00 0.55 H new ATOM 0 HB ILE B 91 20.209 -10.195 -1.714 1.00 0.61 H new ATOM 0 HG12 ILE B 91 17.982 -10.769 -3.701 1.00 0.66 H new ATOM 0 HG13 ILE B 91 19.168 -9.490 -3.878 1.00 0.66 H new ATOM 0 HG21 ILE B 91 19.456 -12.544 -1.744 1.00 0.65 H new ATOM 0 HG22 ILE B 91 18.985 -11.720 -0.238 1.00 0.65 H new ATOM 0 HG23 ILE B 91 17.776 -12.004 -1.513 1.00 0.65 H new ATOM 0 HD11 ILE B 91 19.782 -11.446 -5.216 1.00 0.74 H new ATOM 0 HD12 ILE B 91 20.985 -11.165 -3.935 1.00 0.74 H new ATOM 0 HD13 ILE B 91 19.780 -12.463 -3.756 1.00 0.74 H new ATOM 3521 N SER B 92 17.412 -9.432 0.904 1.00 0.58 N ATOM 3522 CA SER B 92 17.485 -9.421 2.353 1.00 0.60 C ATOM 3523 C SER B 92 18.263 -10.642 2.829 1.00 0.59 C ATOM 3524 O SER B 92 17.701 -11.731 2.956 1.00 0.64 O ATOM 3525 CB SER B 92 16.076 -9.424 2.963 1.00 0.69 C ATOM 3526 OG SER B 92 16.118 -9.165 4.358 1.00 1.22 O ATOM 0 H SER B 92 16.476 -9.587 0.530 1.00 0.58 H new ATOM 0 HA SER B 92 17.997 -8.514 2.676 1.00 0.60 H new ATOM 0 HB2 SER B 92 15.462 -8.671 2.469 1.00 0.69 H new ATOM 0 HB3 SER B 92 15.602 -10.389 2.784 1.00 0.69 H new ATOM 0 HG SER B 92 15.874 -8.231 4.525 1.00 1.22 H new ATOM 3532 N LYS B 93 19.558 -10.471 3.069 1.00 0.61 N ATOM 3533 CA LYS B 93 20.397 -11.574 3.528 1.00 0.66 C ATOM 3534 C LYS B 93 19.731 -12.303 4.693 1.00 0.67 C ATOM 3535 O LYS B 93 19.814 -13.526 4.802 1.00 0.72 O ATOM 3536 CB LYS B 93 21.782 -11.066 3.937 1.00 0.76 C ATOM 3537 CG LYS B 93 22.600 -12.073 4.735 1.00 0.92 C ATOM 3538 CD LYS B 93 24.100 -11.865 4.552 1.00 0.97 C ATOM 3539 CE LYS B 93 24.502 -10.410 4.751 1.00 1.03 C ATOM 3540 NZ LYS B 93 24.366 -9.976 6.165 1.00 1.09 N ATOM 0 H LYS B 93 20.049 -9.584 2.954 1.00 0.61 H new ATOM 0 HA LYS B 93 20.519 -12.277 2.704 1.00 0.66 H new ATOM 0 HB2 LYS B 93 22.337 -10.792 3.040 1.00 0.76 H new ATOM 0 HB3 LYS B 93 21.665 -10.158 4.529 1.00 0.76 H new ATOM 0 HG2 LYS B 93 22.349 -11.988 5.792 1.00 0.92 H new ATOM 0 HG3 LYS B 93 22.334 -13.083 4.425 1.00 0.92 H new ATOM 0 HD2 LYS B 93 24.642 -12.491 5.261 1.00 0.97 H new ATOM 0 HD3 LYS B 93 24.392 -12.188 3.553 1.00 0.97 H new ATOM 0 HE2 LYS B 93 25.534 -10.273 4.429 1.00 1.03 H new ATOM 0 HE3 LYS B 93 23.884 -9.775 4.117 1.00 1.03 H new ATOM 0 HZ1 LYS B 93 24.248 -8.943 6.201 1.00 1.09 H new ATOM 0 HZ2 LYS B 93 23.535 -10.435 6.591 1.00 1.09 H new ATOM 0 HZ3 LYS B 93 25.220 -10.245 6.694 1.00 1.09 H new ATOM 3554 N LYS B 94 19.044 -11.543 5.540 1.00 0.66 N ATOM 3555 CA LYS B 94 18.355 -12.107 6.691 1.00 0.71 C ATOM 3556 C LYS B 94 17.248 -13.076 6.253 1.00 0.71 C ATOM 3557 O LYS B 94 16.818 -13.930 7.035 1.00 0.80 O ATOM 3558 CB LYS B 94 17.777 -10.984 7.555 1.00 0.74 C ATOM 3559 CG LYS B 94 17.013 -11.472 8.774 1.00 0.80 C ATOM 3560 CD LYS B 94 17.893 -12.290 9.706 1.00 0.88 C ATOM 3561 CE LYS B 94 17.113 -13.423 10.358 1.00 1.00 C ATOM 3562 NZ LYS B 94 15.972 -12.932 11.181 1.00 1.03 N ATOM 0 H LYS B 94 18.951 -10.531 5.449 1.00 0.66 H new ATOM 0 HA LYS B 94 19.076 -12.672 7.281 1.00 0.71 H new ATOM 0 HB2 LYS B 94 18.591 -10.337 7.884 1.00 0.74 H new ATOM 0 HB3 LYS B 94 17.113 -10.374 6.943 1.00 0.74 H new ATOM 0 HG2 LYS B 94 16.608 -10.617 9.315 1.00 0.80 H new ATOM 0 HG3 LYS B 94 16.165 -12.076 8.453 1.00 0.80 H new ATOM 0 HD2 LYS B 94 18.734 -12.700 9.147 1.00 0.88 H new ATOM 0 HD3 LYS B 94 18.309 -11.642 10.478 1.00 0.88 H new ATOM 0 HE2 LYS B 94 16.737 -14.093 9.585 1.00 1.00 H new ATOM 0 HE3 LYS B 94 17.785 -14.007 10.987 1.00 1.00 H new ATOM 0 HZ1 LYS B 94 15.385 -13.738 11.477 1.00 1.03 H new ATOM 0 HZ2 LYS B 94 16.337 -12.442 12.023 1.00 1.03 H new ATOM 0 HZ3 LYS B 94 15.397 -12.273 10.619 1.00 1.03 H new ATOM 3576 N HIS B 95 16.786 -12.938 5.010 1.00 0.67 N ATOM 3577 CA HIS B 95 15.742 -13.805 4.482 1.00 0.72 C ATOM 3578 C HIS B 95 16.141 -14.410 3.141 1.00 0.70 C ATOM 3579 O HIS B 95 15.288 -14.777 2.327 1.00 0.77 O ATOM 3580 CB HIS B 95 14.423 -13.046 4.373 1.00 0.83 C ATOM 3581 CG HIS B 95 13.863 -12.719 5.714 1.00 1.05 C ATOM 3582 ND1 HIS B 95 13.726 -13.665 6.706 1.00 1.25 N ATOM 3583 CD2 HIS B 95 13.463 -11.545 6.251 1.00 1.35 C ATOM 3584 CE1 HIS B 95 13.269 -13.088 7.798 1.00 1.52 C ATOM 3585 NE2 HIS B 95 13.100 -11.801 7.549 1.00 1.58 N ATOM 0 H HIS B 95 17.121 -12.233 4.353 1.00 0.67 H new ATOM 0 HA HIS B 95 15.607 -14.631 5.180 1.00 0.72 H new ATOM 0 HB2 HIS B 95 14.578 -12.126 3.809 1.00 0.83 H new ATOM 0 HB3 HIS B 95 13.704 -13.645 3.814 1.00 0.83 H new ATOM 0 HD1 HIS B 95 13.944 -14.657 6.610 1.00 1.25 H new ATOM 0 HD2 HIS B 95 13.435 -10.587 5.753 1.00 1.35 H new ATOM 0 HE1 HIS B 95 13.067 -13.582 8.737 1.00 1.52 H new ATOM 0 HE2 HIS B 95 12.755 -11.109 8.215 1.00 1.58 H new ATOM 3594 N ALA B 96 17.448 -14.532 2.924 1.00 0.69 N ATOM 3595 CA ALA B 96 17.961 -15.127 1.701 1.00 0.72 C ATOM 3596 C ALA B 96 17.560 -16.601 1.635 1.00 0.74 C ATOM 3597 O ALA B 96 17.561 -17.202 0.560 1.00 0.79 O ATOM 3598 CB ALA B 96 19.474 -14.978 1.625 1.00 0.77 C ATOM 0 H ALA B 96 18.167 -14.226 3.580 1.00 0.69 H new ATOM 0 HA ALA B 96 17.529 -14.606 0.847 1.00 0.72 H new ATOM 0 HB1 ALA B 96 19.838 -15.430 0.702 1.00 0.77 H new ATOM 0 HB2 ALA B 96 19.737 -13.920 1.639 1.00 0.77 H new ATOM 0 HB3 ALA B 96 19.932 -15.477 2.479 1.00 0.77 H new ATOM 3604 N GLU B 97 17.205 -17.168 2.795 1.00 0.75 N ATOM 3605 CA GLU B 97 16.789 -18.569 2.882 1.00 0.81 C ATOM 3606 C GLU B 97 15.776 -18.893 1.782 1.00 0.79 C ATOM 3607 O GLU B 97 16.061 -19.684 0.879 1.00 0.86 O ATOM 3608 CB GLU B 97 16.202 -18.938 4.268 1.00 0.91 C ATOM 3609 CG GLU B 97 16.064 -17.792 5.280 1.00 1.11 C ATOM 3610 CD GLU B 97 14.753 -17.021 5.165 1.00 1.34 C ATOM 3611 OE1 GLU B 97 14.019 -17.211 4.172 1.00 1.62 O ATOM 3612 OE2 GLU B 97 14.440 -16.231 6.086 1.00 1.64 O ATOM 0 H GLU B 97 17.198 -16.674 3.687 1.00 0.75 H new ATOM 0 HA GLU B 97 17.687 -19.171 2.744 1.00 0.81 H new ATOM 0 HB2 GLU B 97 15.217 -19.379 4.115 1.00 0.91 H new ATOM 0 HB3 GLU B 97 16.831 -19.710 4.711 1.00 0.91 H new ATOM 0 HG2 GLU B 97 16.148 -18.198 6.288 1.00 1.11 H new ATOM 0 HG3 GLU B 97 16.895 -17.099 5.145 1.00 1.11 H new ATOM 3619 N LYS B 98 14.610 -18.258 1.848 1.00 0.75 N ATOM 3620 CA LYS B 98 13.563 -18.462 0.844 1.00 0.78 C ATOM 3621 C LYS B 98 13.790 -17.562 -0.376 1.00 0.77 C ATOM 3622 O LYS B 98 12.915 -17.442 -1.237 1.00 0.82 O ATOM 3623 CB LYS B 98 12.180 -18.199 1.449 1.00 0.81 C ATOM 3624 CG LYS B 98 11.739 -19.271 2.432 1.00 0.85 C ATOM 3625 CD LYS B 98 10.454 -18.890 3.149 1.00 0.92 C ATOM 3626 CE LYS B 98 10.682 -17.792 4.176 1.00 1.04 C ATOM 3627 NZ LYS B 98 11.732 -18.160 5.164 1.00 1.32 N ATOM 0 H LYS B 98 14.363 -17.597 2.585 1.00 0.75 H new ATOM 0 HA LYS B 98 13.609 -19.500 0.515 1.00 0.78 H new ATOM 0 HB2 LYS B 98 12.190 -17.234 1.955 1.00 0.81 H new ATOM 0 HB3 LYS B 98 11.447 -18.129 0.645 1.00 0.81 H new ATOM 0 HG2 LYS B 98 11.593 -20.212 1.901 1.00 0.85 H new ATOM 0 HG3 LYS B 98 12.528 -19.438 3.165 1.00 0.85 H new ATOM 0 HD2 LYS B 98 9.716 -18.557 2.419 1.00 0.92 H new ATOM 0 HD3 LYS B 98 10.040 -19.769 3.643 1.00 0.92 H new ATOM 0 HE2 LYS B 98 10.971 -16.873 3.666 1.00 1.04 H new ATOM 0 HE3 LYS B 98 9.748 -17.586 4.699 1.00 1.04 H new ATOM 0 HZ1 LYS B 98 11.693 -17.506 5.972 1.00 1.32 H new ATOM 0 HZ2 LYS B 98 11.570 -19.132 5.497 1.00 1.32 H new ATOM 0 HZ3 LYS B 98 12.668 -18.100 4.715 1.00 1.32 H new ATOM 3641 N ASN B 99 14.968 -16.932 -0.442 1.00 0.75 N ATOM 3642 CA ASN B 99 15.326 -16.054 -1.549 1.00 0.78 C ATOM 3643 C ASN B 99 14.388 -14.850 -1.617 1.00 0.75 C ATOM 3644 O ASN B 99 14.018 -14.399 -2.701 1.00 0.79 O ATOM 3645 CB ASN B 99 15.311 -16.828 -2.874 1.00 0.89 C ATOM 3646 CG ASN B 99 16.218 -16.208 -3.925 1.00 1.04 C ATOM 3647 OD1 ASN B 99 15.782 -15.395 -4.740 1.00 1.08 O ATOM 3648 ND2 ASN B 99 17.484 -16.598 -3.926 1.00 1.44 N ATOM 0 H ASN B 99 15.694 -17.019 0.270 1.00 0.75 H new ATOM 0 HA ASN B 99 16.337 -15.684 -1.376 1.00 0.78 H new ATOM 0 HB2 ASN B 99 15.622 -17.857 -2.693 1.00 0.89 H new ATOM 0 HB3 ASN B 99 14.291 -16.866 -3.257 1.00 0.89 H new ATOM 0 HD21 ASN B 99 18.133 -16.222 -4.618 1.00 1.44 H new ATOM 0 HD22 ASN B 99 17.810 -17.274 -3.235 1.00 1.44 H new ATOM 3655 N TRP B 100 14.015 -14.327 -0.450 1.00 0.71 N ATOM 3656 CA TRP B 100 13.133 -13.170 -0.382 1.00 0.70 C ATOM 3657 C TRP B 100 13.957 -11.886 -0.366 1.00 0.66 C ATOM 3658 O TRP B 100 14.721 -11.632 0.571 1.00 0.71 O ATOM 3659 CB TRP B 100 12.226 -13.252 0.852 1.00 0.76 C ATOM 3660 CG TRP B 100 11.161 -14.305 0.740 1.00 0.78 C ATOM 3661 CD1 TRP B 100 10.871 -15.073 -0.355 1.00 0.83 C ATOM 3662 CD2 TRP B 100 10.241 -14.702 1.762 1.00 0.81 C ATOM 3663 NE1 TRP B 100 9.831 -15.925 -0.070 1.00 0.86 N ATOM 3664 CE2 TRP B 100 9.426 -15.716 1.220 1.00 0.84 C ATOM 3665 CE3 TRP B 100 10.029 -14.304 3.085 1.00 0.87 C ATOM 3666 CZ2 TRP B 100 8.415 -16.328 1.956 1.00 0.89 C ATOM 3667 CZ3 TRP B 100 9.023 -14.914 3.811 1.00 0.95 C ATOM 3668 CH2 TRP B 100 8.230 -15.919 3.245 1.00 0.94 C ATOM 0 H TRP B 100 14.311 -14.687 0.457 1.00 0.71 H new ATOM 0 HA TRP B 100 12.495 -13.163 -1.266 1.00 0.70 H new ATOM 0 HB2 TRP B 100 12.838 -13.456 1.731 1.00 0.76 H new ATOM 0 HB3 TRP B 100 11.753 -12.283 1.011 1.00 0.76 H new ATOM 0 HD1 TRP B 100 11.384 -15.018 -1.304 1.00 0.83 H new ATOM 0 HE1 TRP B 100 9.427 -16.603 -0.716 1.00 0.86 H new ATOM 0 HE3 TRP B 100 10.640 -13.534 3.532 1.00 0.87 H new ATOM 0 HZ2 TRP B 100 7.798 -17.100 1.522 1.00 0.89 H new ATOM 0 HZ3 TRP B 100 8.846 -14.610 4.832 1.00 0.95 H new ATOM 0 HH2 TRP B 100 7.456 -16.380 3.840 1.00 0.94 H new ATOM 3679 N PHE B 101 13.829 -11.101 -1.426 1.00 0.66 N ATOM 3680 CA PHE B 101 14.567 -9.851 -1.546 1.00 0.65 C ATOM 3681 C PHE B 101 13.644 -8.630 -1.447 1.00 0.60 C ATOM 3682 O PHE B 101 13.557 -7.833 -2.377 1.00 0.83 O ATOM 3683 CB PHE B 101 15.395 -9.821 -2.849 1.00 0.72 C ATOM 3684 CG PHE B 101 14.713 -10.404 -4.058 1.00 0.70 C ATOM 3685 CD1 PHE B 101 14.598 -11.776 -4.211 1.00 0.85 C ATOM 3686 CD2 PHE B 101 14.202 -9.581 -5.044 1.00 0.87 C ATOM 3687 CE1 PHE B 101 13.983 -12.315 -5.324 1.00 1.03 C ATOM 3688 CE2 PHE B 101 13.590 -10.114 -6.162 1.00 1.02 C ATOM 3689 CZ PHE B 101 13.479 -11.482 -6.301 1.00 1.06 C ATOM 0 H PHE B 101 13.220 -11.308 -2.217 1.00 0.66 H new ATOM 0 HA PHE B 101 15.258 -9.799 -0.705 1.00 0.65 H new ATOM 0 HB2 PHE B 101 15.662 -8.787 -3.066 1.00 0.72 H new ATOM 0 HB3 PHE B 101 16.326 -10.362 -2.681 1.00 0.72 H new ATOM 0 HD1 PHE B 101 14.994 -12.432 -3.450 1.00 0.85 H new ATOM 0 HD2 PHE B 101 14.282 -8.509 -4.939 1.00 0.87 H new ATOM 0 HE1 PHE B 101 13.897 -13.386 -5.429 1.00 1.03 H new ATOM 0 HE2 PHE B 101 13.199 -9.460 -6.927 1.00 1.02 H new ATOM 0 HZ PHE B 101 12.998 -11.900 -7.173 1.00 1.06 H new ATOM 3699 N VAL B 102 12.958 -8.511 -0.302 1.00 0.59 N ATOM 3700 CA VAL B 102 12.055 -7.390 -0.008 1.00 0.53 C ATOM 3701 C VAL B 102 11.164 -6.987 -1.196 1.00 0.53 C ATOM 3702 O VAL B 102 11.552 -6.179 -2.040 1.00 0.61 O ATOM 3703 CB VAL B 102 12.837 -6.157 0.517 1.00 0.53 C ATOM 3704 CG1 VAL B 102 13.986 -5.783 -0.407 1.00 0.58 C ATOM 3705 CG2 VAL B 102 11.913 -4.966 0.726 1.00 0.53 C ATOM 0 H VAL B 102 13.015 -9.196 0.452 1.00 0.59 H new ATOM 0 HA VAL B 102 11.389 -7.753 0.775 1.00 0.53 H new ATOM 0 HB VAL B 102 13.261 -6.436 1.481 1.00 0.53 H new ATOM 0 HG11 VAL B 102 14.509 -4.915 -0.005 1.00 0.58 H new ATOM 0 HG12 VAL B 102 14.679 -6.621 -0.483 1.00 0.58 H new ATOM 0 HG13 VAL B 102 13.595 -5.545 -1.396 1.00 0.58 H new ATOM 0 HG21 VAL B 102 12.490 -4.118 1.094 1.00 0.53 H new ATOM 0 HG22 VAL B 102 11.442 -4.701 -0.220 1.00 0.53 H new ATOM 0 HG23 VAL B 102 11.144 -5.225 1.454 1.00 0.53 H new ATOM 3715 N GLY B 103 9.951 -7.539 -1.230 1.00 0.57 N ATOM 3716 CA GLY B 103 9.010 -7.225 -2.296 1.00 0.63 C ATOM 3717 C GLY B 103 7.854 -6.366 -1.810 1.00 0.55 C ATOM 3718 O GLY B 103 7.254 -6.657 -0.771 1.00 0.59 O ATOM 0 H GLY B 103 9.602 -8.200 -0.536 1.00 0.57 H new ATOM 0 HA2 GLY B 103 9.534 -6.705 -3.099 1.00 0.63 H new ATOM 0 HA3 GLY B 103 8.619 -8.151 -2.717 1.00 0.63 H new ATOM 3722 N LEU B 104 7.520 -5.321 -2.560 1.00 0.52 N ATOM 3723 CA LEU B 104 6.439 -4.423 -2.166 1.00 0.49 C ATOM 3724 C LEU B 104 5.473 -4.144 -3.318 1.00 0.44 C ATOM 3725 O LEU B 104 5.623 -4.678 -4.418 1.00 0.55 O ATOM 3726 CB LEU B 104 7.011 -3.102 -1.626 1.00 0.58 C ATOM 3727 CG LEU B 104 7.999 -2.367 -2.542 1.00 0.66 C ATOM 3728 CD1 LEU B 104 7.314 -1.879 -3.809 1.00 0.76 C ATOM 3729 CD2 LEU B 104 8.632 -1.198 -1.800 1.00 0.85 C ATOM 0 H LEU B 104 7.978 -5.076 -3.438 1.00 0.52 H new ATOM 0 HA LEU B 104 5.875 -4.923 -1.378 1.00 0.49 H new ATOM 0 HB2 LEU B 104 6.179 -2.431 -1.411 1.00 0.58 H new ATOM 0 HB3 LEU B 104 7.509 -3.306 -0.678 1.00 0.58 H new ATOM 0 HG LEU B 104 8.781 -3.070 -2.831 1.00 0.66 H new ATOM 0 HD11 LEU B 104 8.039 -1.362 -4.438 1.00 0.76 H new ATOM 0 HD12 LEU B 104 6.904 -2.731 -4.352 1.00 0.76 H new ATOM 0 HD13 LEU B 104 6.508 -1.194 -3.546 1.00 0.76 H new ATOM 0 HD21 LEU B 104 9.331 -0.684 -2.460 1.00 0.85 H new ATOM 0 HD22 LEU B 104 7.854 -0.503 -1.484 1.00 0.85 H new ATOM 0 HD23 LEU B 104 9.165 -1.569 -0.924 1.00 0.85 H new ATOM 3741 N LYS B 105 4.464 -3.323 -3.033 1.00 0.43 N ATOM 3742 CA LYS B 105 3.462 -2.934 -4.017 1.00 0.41 C ATOM 3743 C LYS B 105 3.270 -1.421 -3.991 1.00 0.41 C ATOM 3744 O LYS B 105 2.586 -0.892 -3.109 1.00 0.47 O ATOM 3745 CB LYS B 105 2.129 -3.631 -3.728 1.00 0.50 C ATOM 3746 CG LYS B 105 2.032 -5.039 -4.294 1.00 0.64 C ATOM 3747 CD LYS B 105 1.302 -5.062 -5.628 1.00 0.94 C ATOM 3748 CE LYS B 105 -0.170 -4.701 -5.471 1.00 1.25 C ATOM 3749 NZ LYS B 105 -0.845 -4.520 -6.782 1.00 1.39 N ATOM 0 H LYS B 105 4.320 -2.910 -2.112 1.00 0.43 H new ATOM 0 HA LYS B 105 3.808 -3.237 -5.005 1.00 0.41 H new ATOM 0 HB2 LYS B 105 1.979 -3.673 -2.649 1.00 0.50 H new ATOM 0 HB3 LYS B 105 1.319 -3.029 -4.139 1.00 0.50 H new ATOM 0 HG2 LYS B 105 3.034 -5.450 -4.421 1.00 0.64 H new ATOM 0 HG3 LYS B 105 1.512 -5.681 -3.584 1.00 0.64 H new ATOM 0 HD2 LYS B 105 1.777 -4.362 -6.315 1.00 0.94 H new ATOM 0 HD3 LYS B 105 1.388 -6.053 -6.073 1.00 0.94 H new ATOM 0 HE2 LYS B 105 -0.677 -5.485 -4.908 1.00 1.25 H new ATOM 0 HE3 LYS B 105 -0.258 -3.783 -4.889 1.00 1.25 H new ATOM 0 HZ1 LYS B 105 -1.872 -4.444 -6.636 1.00 1.39 H new ATOM 0 HZ2 LYS B 105 -0.495 -3.652 -7.236 1.00 1.39 H new ATOM 0 HZ3 LYS B 105 -0.642 -5.337 -7.393 1.00 1.39 H new ATOM 3763 N LYS B 106 3.871 -0.732 -4.958 1.00 0.49 N ATOM 3764 CA LYS B 106 3.779 0.728 -5.047 1.00 0.59 C ATOM 3765 C LYS B 106 2.332 1.220 -4.972 1.00 0.52 C ATOM 3766 O LYS B 106 2.082 2.362 -4.586 1.00 0.61 O ATOM 3767 CB LYS B 106 4.432 1.232 -6.337 1.00 0.80 C ATOM 3768 CG LYS B 106 5.907 1.583 -6.176 1.00 1.25 C ATOM 3769 CD LYS B 106 6.555 1.947 -7.504 1.00 1.43 C ATOM 3770 CE LYS B 106 5.958 3.206 -8.104 1.00 1.68 C ATOM 3771 NZ LYS B 106 5.663 3.046 -9.552 1.00 1.67 N ATOM 0 H LYS B 106 4.430 -1.161 -5.695 1.00 0.49 H new ATOM 0 HA LYS B 106 4.314 1.133 -4.188 1.00 0.59 H new ATOM 0 HB2 LYS B 106 4.331 0.469 -7.108 1.00 0.80 H new ATOM 0 HB3 LYS B 106 3.893 2.113 -6.687 1.00 0.80 H new ATOM 0 HG2 LYS B 106 6.007 2.418 -5.483 1.00 1.25 H new ATOM 0 HG3 LYS B 106 6.435 0.737 -5.735 1.00 1.25 H new ATOM 0 HD2 LYS B 106 7.626 2.088 -7.358 1.00 1.43 H new ATOM 0 HD3 LYS B 106 6.435 1.120 -8.204 1.00 1.43 H new ATOM 0 HE2 LYS B 106 5.041 3.461 -7.573 1.00 1.68 H new ATOM 0 HE3 LYS B 106 6.649 4.037 -7.964 1.00 1.68 H new ATOM 0 HZ1 LYS B 106 5.210 3.910 -9.912 1.00 1.67 H new ATOM 0 HZ2 LYS B 106 6.549 2.878 -10.070 1.00 1.67 H new ATOM 0 HZ3 LYS B 106 5.023 2.237 -9.689 1.00 1.67 H new ATOM 3785 N ASN B 107 1.383 0.366 -5.357 1.00 0.51 N ATOM 3786 CA ASN B 107 -0.034 0.726 -5.315 1.00 0.57 C ATOM 3787 C ASN B 107 -0.765 -0.057 -4.215 1.00 0.54 C ATOM 3788 O ASN B 107 -1.970 -0.304 -4.308 1.00 0.71 O ATOM 3789 CB ASN B 107 -0.695 0.470 -6.680 1.00 0.75 C ATOM 3790 CG ASN B 107 -1.059 -0.989 -6.901 1.00 0.81 C ATOM 3791 OD1 ASN B 107 -0.323 -1.894 -6.501 1.00 0.85 O ATOM 3792 ND2 ASN B 107 -2.199 -1.229 -7.533 1.00 1.11 N ATOM 0 H ASN B 107 1.569 -0.576 -5.700 1.00 0.51 H new ATOM 0 HA ASN B 107 -0.107 1.789 -5.085 1.00 0.57 H new ATOM 0 HB2 ASN B 107 -1.595 1.079 -6.761 1.00 0.75 H new ATOM 0 HB3 ASN B 107 -0.019 0.794 -7.471 1.00 0.75 H new ATOM 0 HD21 ASN B 107 -2.495 -2.190 -7.704 1.00 1.11 H new ATOM 0 HD22 ASN B 107 -2.780 -0.453 -7.849 1.00 1.11 H new ATOM 3799 N GLY B 108 -0.030 -0.437 -3.169 1.00 0.65 N ATOM 3800 CA GLY B 108 -0.619 -1.188 -2.073 1.00 0.75 C ATOM 3801 C GLY B 108 0.101 -0.952 -0.756 1.00 0.73 C ATOM 3802 O GLY B 108 -0.536 -0.614 0.247 1.00 1.18 O ATOM 0 H GLY B 108 0.965 -0.237 -3.063 1.00 0.65 H new ATOM 0 HA2 GLY B 108 -1.667 -0.908 -1.966 1.00 0.75 H new ATOM 0 HA3 GLY B 108 -0.596 -2.251 -2.311 1.00 0.75 H new ATOM 3806 N SER B 109 1.423 -1.143 -0.781 1.00 0.52 N ATOM 3807 CA SER B 109 2.312 -0.973 0.374 1.00 0.46 C ATOM 3808 C SER B 109 3.458 -1.982 0.262 1.00 0.39 C ATOM 3809 O SER B 109 3.503 -2.777 -0.684 1.00 0.45 O ATOM 3810 CB SER B 109 1.577 -1.154 1.717 1.00 0.56 C ATOM 3811 OG SER B 109 2.454 -0.958 2.826 1.00 0.55 O ATOM 0 H SER B 109 1.918 -1.427 -1.626 1.00 0.52 H new ATOM 0 HA SER B 109 2.694 0.048 0.362 1.00 0.46 H new ATOM 0 HB2 SER B 109 0.749 -0.447 1.778 1.00 0.56 H new ATOM 0 HB3 SER B 109 1.147 -2.154 1.765 1.00 0.56 H new ATOM 0 HG SER B 109 2.532 0.000 3.016 1.00 0.55 H new ATOM 3817 N CYS B 110 4.378 -1.954 1.211 1.00 0.41 N ATOM 3818 CA CYS B 110 5.512 -2.868 1.203 1.00 0.43 C ATOM 3819 C CYS B 110 5.217 -4.106 2.048 1.00 0.46 C ATOM 3820 O CYS B 110 5.205 -4.036 3.277 1.00 0.57 O ATOM 3821 CB CYS B 110 6.764 -2.154 1.716 1.00 0.55 C ATOM 3822 SG CYS B 110 6.500 -1.210 3.234 1.00 0.78 S ATOM 0 H CYS B 110 4.363 -1.307 2.000 1.00 0.41 H new ATOM 0 HA CYS B 110 5.688 -3.194 0.178 1.00 0.43 H new ATOM 0 HB2 CYS B 110 7.546 -2.893 1.891 1.00 0.55 H new ATOM 0 HB3 CYS B 110 7.130 -1.481 0.940 1.00 0.55 H new ATOM 0 HG CYS B 110 6.851 -1.929 4.259 1.00 0.78 H new ATOM 3828 N LYS B 111 4.938 -5.226 1.379 1.00 0.48 N ATOM 3829 CA LYS B 111 4.645 -6.490 2.056 1.00 0.54 C ATOM 3830 C LYS B 111 4.264 -7.573 1.043 1.00 0.51 C ATOM 3831 O LYS B 111 3.095 -7.701 0.660 1.00 0.63 O ATOM 3832 CB LYS B 111 3.526 -6.323 3.104 1.00 0.66 C ATOM 3833 CG LYS B 111 2.244 -5.688 2.575 1.00 0.70 C ATOM 3834 CD LYS B 111 2.196 -4.190 2.833 1.00 0.81 C ATOM 3835 CE LYS B 111 2.320 -3.860 4.315 1.00 0.90 C ATOM 3836 NZ LYS B 111 3.282 -2.753 4.557 1.00 0.98 N ATOM 0 H LYS B 111 4.909 -5.283 0.361 1.00 0.48 H new ATOM 0 HA LYS B 111 5.551 -6.800 2.576 1.00 0.54 H new ATOM 0 HB2 LYS B 111 3.286 -7.302 3.518 1.00 0.66 H new ATOM 0 HB3 LYS B 111 3.904 -5.714 3.925 1.00 0.66 H new ATOM 0 HG2 LYS B 111 2.164 -5.873 1.504 1.00 0.70 H new ATOM 0 HG3 LYS B 111 1.384 -6.164 3.046 1.00 0.70 H new ATOM 0 HD2 LYS B 111 3.002 -3.702 2.285 1.00 0.81 H new ATOM 0 HD3 LYS B 111 1.259 -3.786 2.449 1.00 0.81 H new ATOM 0 HE2 LYS B 111 1.342 -3.584 4.709 1.00 0.90 H new ATOM 0 HE3 LYS B 111 2.643 -4.748 4.859 1.00 0.90 H new ATOM 0 HZ1 LYS B 111 3.313 -2.536 5.574 1.00 0.98 H new ATOM 0 HZ2 LYS B 111 4.229 -3.039 4.235 1.00 0.98 H new ATOM 0 HZ3 LYS B 111 2.979 -1.908 4.032 1.00 0.98 H new ATOM 3850 N ARG B 112 5.256 -8.329 0.578 1.00 0.53 N ATOM 3851 CA ARG B 112 5.004 -9.395 -0.390 1.00 0.55 C ATOM 3852 C ARG B 112 5.922 -10.603 -0.181 1.00 0.64 C ATOM 3853 O ARG B 112 6.081 -11.409 -1.094 1.00 1.06 O ATOM 3854 CB ARG B 112 5.171 -8.862 -1.820 1.00 0.69 C ATOM 3855 CG ARG B 112 4.110 -7.850 -2.238 1.00 0.76 C ATOM 3856 CD ARG B 112 2.765 -8.515 -2.509 1.00 0.85 C ATOM 3857 NE ARG B 112 2.157 -9.071 -1.295 1.00 0.81 N ATOM 3858 CZ ARG B 112 1.381 -10.166 -1.268 1.00 0.97 C ATOM 3859 NH1 ARG B 112 1.111 -10.828 -2.392 1.00 1.13 N ATOM 3860 NH2 ARG B 112 0.876 -10.596 -0.111 1.00 1.11 N ATOM 0 H ARG B 112 6.233 -8.225 0.852 1.00 0.53 H new ATOM 0 HA ARG B 112 3.978 -9.730 -0.235 1.00 0.55 H new ATOM 0 HB2 ARG B 112 6.154 -8.400 -1.911 1.00 0.69 H new ATOM 0 HB3 ARG B 112 5.149 -9.702 -2.514 1.00 0.69 H new ATOM 0 HG2 ARG B 112 3.993 -7.102 -1.454 1.00 0.76 H new ATOM 0 HG3 ARG B 112 4.442 -7.325 -3.133 1.00 0.76 H new ATOM 0 HD2 ARG B 112 2.085 -7.786 -2.950 1.00 0.85 H new ATOM 0 HD3 ARG B 112 2.898 -9.311 -3.242 1.00 0.85 H new ATOM 0 HE ARG B 112 2.336 -8.593 -0.412 1.00 0.81 H new ATOM 0 HH11 ARG B 112 1.495 -10.504 -3.280 1.00 1.13 H new ATOM 0 HH12 ARG B 112 0.521 -11.659 -2.365 1.00 1.13 H new ATOM 0 HH21 ARG B 112 1.079 -10.093 0.753 1.00 1.11 H new ATOM 0 HH22 ARG B 112 0.286 -11.428 -0.090 1.00 1.11 H new ATOM 3874 N GLY B 113 6.476 -10.748 1.027 1.00 0.62 N ATOM 3875 CA GLY B 113 7.377 -11.861 1.333 1.00 0.68 C ATOM 3876 C GLY B 113 7.062 -13.136 0.563 1.00 0.62 C ATOM 3877 O GLY B 113 7.863 -13.575 -0.265 1.00 0.66 O ATOM 0 H GLY B 113 6.316 -10.110 1.806 1.00 0.62 H new ATOM 0 HA2 GLY B 113 8.401 -11.558 1.113 1.00 0.68 H new ATOM 0 HA3 GLY B 113 7.329 -12.072 2.401 1.00 0.68 H new ATOM 3881 N PRO B 114 5.883 -13.745 0.794 1.00 0.64 N ATOM 3882 CA PRO B 114 5.475 -14.982 0.110 1.00 0.67 C ATOM 3883 C PRO B 114 5.631 -14.916 -1.414 1.00 0.61 C ATOM 3884 O PRO B 114 5.636 -15.948 -2.088 1.00 0.77 O ATOM 3885 CB PRO B 114 3.997 -15.122 0.482 1.00 0.78 C ATOM 3886 CG PRO B 114 3.859 -14.401 1.776 1.00 0.90 C ATOM 3887 CD PRO B 114 4.859 -13.276 1.742 1.00 0.77 C ATOM 0 HA PRO B 114 6.098 -15.823 0.414 1.00 0.67 H new ATOM 0 HB2 PRO B 114 3.354 -14.687 -0.283 1.00 0.78 H new ATOM 0 HB3 PRO B 114 3.712 -16.169 0.581 1.00 0.78 H new ATOM 0 HG2 PRO B 114 2.846 -14.017 1.901 1.00 0.90 H new ATOM 0 HG3 PRO B 114 4.053 -15.068 2.616 1.00 0.90 H new ATOM 0 HD2 PRO B 114 4.402 -12.344 1.409 1.00 0.77 H new ATOM 0 HD3 PRO B 114 5.283 -13.088 2.728 1.00 0.77 H new ATOM 3895 N ARG B 115 5.728 -13.705 -1.961 1.00 0.57 N ATOM 3896 CA ARG B 115 5.878 -13.519 -3.399 1.00 0.61 C ATOM 3897 C ARG B 115 7.129 -12.705 -3.735 1.00 0.60 C ATOM 3898 O ARG B 115 7.303 -12.293 -4.885 1.00 0.66 O ATOM 3899 CB ARG B 115 4.648 -12.817 -3.983 1.00 0.65 C ATOM 3900 CG ARG B 115 3.400 -13.682 -4.023 1.00 0.68 C ATOM 3901 CD ARG B 115 2.871 -13.966 -2.628 1.00 0.68 C ATOM 3902 NE ARG B 115 1.577 -14.634 -2.661 1.00 0.69 N ATOM 3903 CZ ARG B 115 1.409 -15.959 -2.664 1.00 0.78 C ATOM 3904 NH1 ARG B 115 2.460 -16.782 -2.667 1.00 0.94 N ATOM 3905 NH2 ARG B 115 0.179 -16.460 -2.669 1.00 0.87 N ATOM 0 H ARG B 115 5.705 -12.837 -1.426 1.00 0.57 H new ATOM 0 HA ARG B 115 5.979 -14.510 -3.842 1.00 0.61 H new ATOM 0 HB2 ARG B 115 4.439 -11.924 -3.394 1.00 0.65 H new ATOM 0 HB3 ARG B 115 4.879 -12.485 -4.995 1.00 0.65 H new ATOM 0 HG2 ARG B 115 2.629 -13.183 -4.610 1.00 0.68 H new ATOM 0 HG3 ARG B 115 3.625 -14.623 -4.526 1.00 0.68 H new ATOM 0 HD2 ARG B 115 3.586 -14.587 -2.089 1.00 0.68 H new ATOM 0 HD3 ARG B 115 2.782 -13.030 -2.076 1.00 0.68 H new ATOM 0 HE ARG B 115 0.741 -14.049 -2.683 1.00 0.69 H new ATOM 0 HH11 ARG B 115 3.406 -16.401 -2.667 1.00 0.94 H new ATOM 0 HH12 ARG B 115 2.317 -17.792 -2.669 1.00 0.94 H new ATOM 0 HH21 ARG B 115 -0.627 -15.834 -2.671 1.00 0.87 H new ATOM 0 HH22 ARG B 115 0.040 -17.470 -2.671 1.00 0.87 H new ATOM 3919 N THR B 116 8.000 -12.469 -2.753 1.00 0.59 N ATOM 3920 CA THR B 116 9.212 -11.700 -2.992 1.00 0.61 C ATOM 3921 C THR B 116 10.200 -12.510 -3.833 1.00 0.63 C ATOM 3922 O THR B 116 11.268 -12.915 -3.368 1.00 0.91 O ATOM 3923 CB THR B 116 9.882 -11.252 -1.678 1.00 0.66 C ATOM 3924 OG1 THR B 116 8.923 -10.604 -0.832 1.00 1.17 O ATOM 3925 CG2 THR B 116 11.023 -10.295 -1.968 1.00 1.08 C ATOM 0 H THR B 116 7.887 -12.798 -1.794 1.00 0.59 H new ATOM 0 HA THR B 116 8.922 -10.802 -3.538 1.00 0.61 H new ATOM 0 HB THR B 116 10.274 -12.135 -1.173 1.00 0.66 H new ATOM 0 HG1 THR B 116 9.389 -10.137 -0.107 1.00 1.17 H new ATOM 0 HG21 THR B 116 11.487 -9.987 -1.031 1.00 1.08 H new ATOM 0 HG22 THR B 116 11.764 -10.792 -2.594 1.00 1.08 H new ATOM 0 HG23 THR B 116 10.639 -9.418 -2.488 1.00 1.08 H new ATOM 3933 N HIS B 117 9.821 -12.748 -5.079 1.00 0.79 N ATOM 3934 CA HIS B 117 10.638 -13.503 -6.010 1.00 0.82 C ATOM 3935 C HIS B 117 10.333 -13.051 -7.433 1.00 0.85 C ATOM 3936 O HIS B 117 9.540 -12.130 -7.630 1.00 1.15 O ATOM 3937 CB HIS B 117 10.366 -15.004 -5.846 1.00 0.86 C ATOM 3938 CG HIS B 117 11.608 -15.827 -5.692 1.00 0.80 C ATOM 3939 ND1 HIS B 117 11.638 -17.035 -5.028 1.00 1.00 N ATOM 3940 CD2 HIS B 117 12.871 -15.618 -6.137 1.00 0.85 C ATOM 3941 CE1 HIS B 117 12.859 -17.531 -5.074 1.00 1.00 C ATOM 3942 NE2 HIS B 117 13.625 -16.690 -5.743 1.00 0.87 N ATOM 0 H HIS B 117 8.938 -12.422 -5.471 1.00 0.79 H new ATOM 0 HA HIS B 117 11.693 -13.322 -5.802 1.00 0.82 H new ATOM 0 HB2 HIS B 117 9.730 -15.156 -4.974 1.00 0.86 H new ATOM 0 HB3 HIS B 117 9.810 -15.360 -6.713 1.00 0.86 H new ATOM 0 HD2 HIS B 117 13.218 -14.763 -6.699 1.00 0.85 H new ATOM 0 HE1 HIS B 117 13.178 -18.466 -4.638 1.00 1.00 H new ATOM 0 HE2 HIS B 117 14.618 -16.818 -5.935 1.00 0.87 H new ATOM 3951 N TYR B 118 10.941 -13.706 -8.422 1.00 0.85 N ATOM 3952 CA TYR B 118 10.729 -13.354 -9.829 1.00 0.88 C ATOM 3953 C TYR B 118 9.248 -13.116 -10.138 1.00 0.96 C ATOM 3954 O TYR B 118 8.914 -12.275 -10.973 1.00 1.52 O ATOM 3955 CB TYR B 118 11.289 -14.441 -10.749 1.00 0.91 C ATOM 3956 CG TYR B 118 11.323 -14.029 -12.203 1.00 0.98 C ATOM 3957 CD1 TYR B 118 12.344 -13.227 -12.686 1.00 1.10 C ATOM 3958 CD2 TYR B 118 10.332 -14.437 -13.087 1.00 1.11 C ATOM 3959 CE1 TYR B 118 12.383 -12.841 -14.010 1.00 1.23 C ATOM 3960 CE2 TYR B 118 10.362 -14.056 -14.415 1.00 1.22 C ATOM 3961 CZ TYR B 118 11.390 -13.257 -14.872 1.00 1.23 C ATOM 3962 OH TYR B 118 11.427 -12.872 -16.195 1.00 1.40 O ATOM 0 H TYR B 118 11.585 -14.484 -8.276 1.00 0.85 H new ATOM 0 HA TYR B 118 11.264 -12.422 -10.013 1.00 0.88 H new ATOM 0 HB2 TYR B 118 12.298 -14.697 -10.427 1.00 0.91 H new ATOM 0 HB3 TYR B 118 10.684 -15.342 -10.647 1.00 0.91 H new ATOM 0 HD1 TYR B 118 13.123 -12.898 -12.014 1.00 1.10 H new ATOM 0 HD2 TYR B 118 9.526 -15.061 -12.731 1.00 1.11 H new ATOM 0 HE1 TYR B 118 13.187 -12.216 -14.370 1.00 1.23 H new ATOM 0 HE2 TYR B 118 9.585 -14.382 -15.091 1.00 1.22 H new ATOM 0 HH TYR B 118 10.656 -13.250 -16.667 1.00 1.40 H new ATOM 3972 N GLY B 119 8.369 -13.867 -9.475 1.00 0.83 N ATOM 3973 CA GLY B 119 6.938 -13.702 -9.683 1.00 0.84 C ATOM 3974 C GLY B 119 6.494 -12.255 -9.531 1.00 0.79 C ATOM 3975 O GLY B 119 5.552 -11.818 -10.196 1.00 1.00 O ATOM 0 H GLY B 119 8.622 -14.586 -8.798 1.00 0.83 H new ATOM 0 HA2 GLY B 119 6.675 -14.057 -10.679 1.00 0.84 H new ATOM 0 HA3 GLY B 119 6.396 -14.323 -8.970 1.00 0.84 H new ATOM 3979 N GLN B 120 7.174 -11.512 -8.660 1.00 0.77 N ATOM 3980 CA GLN B 120 6.855 -10.112 -8.430 1.00 0.87 C ATOM 3981 C GLN B 120 7.967 -9.221 -8.966 1.00 0.75 C ATOM 3982 O GLN B 120 8.953 -8.960 -8.278 1.00 0.74 O ATOM 3983 CB GLN B 120 6.648 -9.837 -6.939 1.00 1.12 C ATOM 3984 CG GLN B 120 5.194 -9.854 -6.494 1.00 1.42 C ATOM 3985 CD GLN B 120 4.363 -8.760 -7.150 1.00 1.66 C ATOM 3986 OE1 GLN B 120 3.693 -8.989 -8.156 1.00 1.87 O ATOM 3987 NE2 GLN B 120 4.404 -7.558 -6.588 1.00 1.97 N ATOM 0 H GLN B 120 7.952 -11.862 -8.101 1.00 0.77 H new ATOM 0 HA GLN B 120 5.928 -9.887 -8.958 1.00 0.87 H new ATOM 0 HB2 GLN B 120 7.200 -10.581 -6.365 1.00 1.12 H new ATOM 0 HB3 GLN B 120 7.078 -8.865 -6.698 1.00 1.12 H new ATOM 0 HG2 GLN B 120 4.758 -10.825 -6.729 1.00 1.42 H new ATOM 0 HG3 GLN B 120 5.149 -9.738 -5.411 1.00 1.42 H new ATOM 0 HE21 GLN B 120 4.971 -7.404 -5.754 1.00 1.97 H new ATOM 0 HE22 GLN B 120 3.869 -6.788 -6.990 1.00 1.97 H new ATOM 3996 N LYS B 121 7.812 -8.762 -10.203 1.00 0.73 N ATOM 3997 CA LYS B 121 8.801 -7.883 -10.819 1.00 0.66 C ATOM 3998 C LYS B 121 8.834 -6.525 -10.109 1.00 0.58 C ATOM 3999 O LYS B 121 9.736 -5.721 -10.348 1.00 0.64 O ATOM 4000 CB LYS B 121 8.504 -7.692 -12.314 1.00 0.72 C ATOM 4001 CG LYS B 121 9.660 -7.083 -13.099 1.00 0.70 C ATOM 4002 CD LYS B 121 10.951 -7.870 -12.897 1.00 0.75 C ATOM 4003 CE LYS B 121 11.979 -7.574 -13.982 1.00 0.84 C ATOM 4004 NZ LYS B 121 12.381 -6.141 -14.019 1.00 0.74 N ATOM 0 H LYS B 121 7.014 -8.983 -10.798 1.00 0.73 H new ATOM 0 HA LYS B 121 9.779 -8.353 -10.718 1.00 0.66 H new ATOM 0 HB2 LYS B 121 8.250 -8.658 -12.750 1.00 0.72 H new ATOM 0 HB3 LYS B 121 7.628 -7.053 -12.422 1.00 0.72 H new ATOM 0 HG2 LYS B 121 9.409 -7.061 -14.159 1.00 0.70 H new ATOM 0 HG3 LYS B 121 9.810 -6.050 -12.785 1.00 0.70 H new ATOM 0 HD2 LYS B 121 11.374 -7.628 -11.922 1.00 0.75 H new ATOM 0 HD3 LYS B 121 10.728 -8.937 -12.891 1.00 0.75 H new ATOM 0 HE2 LYS B 121 12.863 -8.191 -13.817 1.00 0.84 H new ATOM 0 HE3 LYS B 121 11.569 -7.857 -14.952 1.00 0.84 H new ATOM 0 HZ1 LYS B 121 13.401 -6.071 -14.209 1.00 0.74 H new ATOM 0 HZ2 LYS B 121 11.855 -5.652 -14.771 1.00 0.74 H new ATOM 0 HZ3 LYS B 121 12.168 -5.697 -13.103 1.00 0.74 H new ATOM 4018 N ALA B 122 7.863 -6.287 -9.216 1.00 0.54 N ATOM 4019 CA ALA B 122 7.778 -5.036 -8.462 1.00 0.51 C ATOM 4020 C ALA B 122 8.869 -4.919 -7.387 1.00 0.48 C ATOM 4021 O ALA B 122 8.767 -4.083 -6.487 1.00 0.56 O ATOM 4022 CB ALA B 122 6.401 -4.904 -7.831 1.00 0.56 C ATOM 0 H ALA B 122 7.121 -6.953 -9.000 1.00 0.54 H new ATOM 0 HA ALA B 122 7.940 -4.221 -9.168 1.00 0.51 H new ATOM 0 HB1 ALA B 122 6.345 -3.970 -7.271 1.00 0.56 H new ATOM 0 HB2 ALA B 122 5.641 -4.905 -8.612 1.00 0.56 H new ATOM 0 HB3 ALA B 122 6.228 -5.742 -7.156 1.00 0.56 H new ATOM 4028 N ILE B 123 9.891 -5.770 -7.455 1.00 0.48 N ATOM 4029 CA ILE B 123 11.001 -5.709 -6.514 1.00 0.48 C ATOM 4030 C ILE B 123 12.189 -4.966 -7.140 1.00 0.47 C ATOM 4031 O ILE B 123 13.082 -4.495 -6.437 1.00 0.49 O ATOM 4032 CB ILE B 123 11.451 -7.115 -6.066 1.00 0.54 C ATOM 4033 CG1 ILE B 123 10.247 -7.935 -5.585 1.00 0.60 C ATOM 4034 CG2 ILE B 123 12.493 -7.006 -4.963 1.00 0.60 C ATOM 4035 CD1 ILE B 123 10.583 -9.371 -5.245 1.00 0.67 C ATOM 0 H ILE B 123 9.971 -6.509 -8.153 1.00 0.48 H new ATOM 0 HA ILE B 123 10.651 -5.169 -5.634 1.00 0.48 H new ATOM 0 HB ILE B 123 11.897 -7.626 -6.919 1.00 0.54 H new ATOM 0 HG12 ILE B 123 9.819 -7.454 -4.706 1.00 0.60 H new ATOM 0 HG13 ILE B 123 9.480 -7.925 -6.359 1.00 0.60 H new ATOM 0 HG21 ILE B 123 12.803 -8.005 -4.655 1.00 0.60 H new ATOM 0 HG22 ILE B 123 13.358 -6.456 -5.333 1.00 0.60 H new ATOM 0 HG23 ILE B 123 12.066 -6.479 -4.110 1.00 0.60 H new ATOM 0 HD11 ILE B 123 9.682 -9.887 -4.913 1.00 0.67 H new ATOM 0 HD12 ILE B 123 10.982 -9.870 -6.128 1.00 0.67 H new ATOM 0 HD13 ILE B 123 11.327 -9.392 -4.449 1.00 0.67 H new ATOM 4047 N LEU B 124 12.194 -4.866 -8.471 1.00 0.47 N ATOM 4048 CA LEU B 124 13.254 -4.166 -9.188 1.00 0.48 C ATOM 4049 C LEU B 124 13.009 -2.663 -9.078 1.00 0.46 C ATOM 4050 O LEU B 124 12.459 -2.035 -9.989 1.00 0.51 O ATOM 4051 CB LEU B 124 13.287 -4.617 -10.654 1.00 0.54 C ATOM 4052 CG LEU B 124 13.987 -5.955 -10.911 1.00 0.63 C ATOM 4053 CD1 LEU B 124 15.463 -5.867 -10.547 1.00 0.71 C ATOM 4054 CD2 LEU B 124 13.313 -7.080 -10.138 1.00 0.73 C ATOM 0 H LEU B 124 11.472 -5.263 -9.073 1.00 0.47 H new ATOM 0 HA LEU B 124 14.223 -4.402 -8.749 1.00 0.48 H new ATOM 0 HB2 LEU B 124 12.262 -4.686 -11.019 1.00 0.54 H new ATOM 0 HB3 LEU B 124 13.784 -3.846 -11.243 1.00 0.54 H new ATOM 0 HG LEU B 124 13.906 -6.179 -11.975 1.00 0.63 H new ATOM 0 HD11 LEU B 124 15.942 -6.827 -10.737 1.00 0.71 H new ATOM 0 HD12 LEU B 124 15.942 -5.097 -11.152 1.00 0.71 H new ATOM 0 HD13 LEU B 124 15.563 -5.614 -9.492 1.00 0.71 H new ATOM 0 HD21 LEU B 124 13.829 -8.019 -10.338 1.00 0.73 H new ATOM 0 HD22 LEU B 124 13.354 -6.863 -9.071 1.00 0.73 H new ATOM 0 HD23 LEU B 124 12.272 -7.164 -10.451 1.00 0.73 H new ATOM 4066 N PHE B 125 13.402 -2.107 -7.944 1.00 0.43 N ATOM 4067 CA PHE B 125 13.189 -0.695 -7.646 1.00 0.41 C ATOM 4068 C PHE B 125 13.958 0.239 -8.573 1.00 0.43 C ATOM 4069 O PHE B 125 15.066 -0.062 -9.011 1.00 0.47 O ATOM 4070 CB PHE B 125 13.583 -0.396 -6.196 1.00 0.42 C ATOM 4071 CG PHE B 125 12.996 -1.347 -5.190 1.00 0.42 C ATOM 4072 CD1 PHE B 125 11.646 -1.308 -4.886 1.00 0.56 C ATOM 4073 CD2 PHE B 125 13.798 -2.280 -4.551 1.00 0.53 C ATOM 4074 CE1 PHE B 125 11.106 -2.182 -3.962 1.00 0.64 C ATOM 4075 CE2 PHE B 125 13.264 -3.156 -3.627 1.00 0.59 C ATOM 4076 CZ PHE B 125 11.916 -3.108 -3.332 1.00 0.59 C ATOM 0 H PHE B 125 13.878 -2.620 -7.202 1.00 0.43 H new ATOM 0 HA PHE B 125 12.127 -0.508 -7.803 1.00 0.41 H new ATOM 0 HB2 PHE B 125 14.670 -0.422 -6.114 1.00 0.42 H new ATOM 0 HB3 PHE B 125 13.269 0.618 -5.947 1.00 0.42 H new ATOM 0 HD1 PHE B 125 11.008 -0.587 -5.376 1.00 0.56 H new ATOM 0 HD2 PHE B 125 14.853 -2.322 -4.779 1.00 0.53 H new ATOM 0 HE1 PHE B 125 10.052 -2.142 -3.732 1.00 0.64 H new ATOM 0 HE2 PHE B 125 13.900 -3.878 -3.136 1.00 0.59 H new ATOM 0 HZ PHE B 125 11.495 -3.793 -2.610 1.00 0.59 H new ATOM 4086 N LEU B 126 13.343 1.379 -8.860 1.00 0.43 N ATOM 4087 CA LEU B 126 13.944 2.412 -9.686 1.00 0.47 C ATOM 4088 C LEU B 126 14.396 3.541 -8.765 1.00 0.48 C ATOM 4089 O LEU B 126 13.572 4.323 -8.286 1.00 0.56 O ATOM 4090 CB LEU B 126 12.941 2.933 -10.722 1.00 0.49 C ATOM 4091 CG LEU B 126 13.493 3.972 -11.704 1.00 0.54 C ATOM 4092 CD1 LEU B 126 14.591 3.362 -12.562 1.00 0.63 C ATOM 4093 CD2 LEU B 126 12.376 4.523 -12.578 1.00 0.62 C ATOM 0 H LEU B 126 12.409 1.612 -8.524 1.00 0.43 H new ATOM 0 HA LEU B 126 14.794 2.005 -10.233 1.00 0.47 H new ATOM 0 HB2 LEU B 126 12.559 2.086 -11.292 1.00 0.49 H new ATOM 0 HB3 LEU B 126 12.093 3.370 -10.195 1.00 0.49 H new ATOM 0 HG LEU B 126 13.921 4.796 -11.132 1.00 0.54 H new ATOM 0 HD11 LEU B 126 14.972 4.113 -13.254 1.00 0.63 H new ATOM 0 HD12 LEU B 126 15.402 3.014 -11.922 1.00 0.63 H new ATOM 0 HD13 LEU B 126 14.187 2.521 -13.126 1.00 0.63 H new ATOM 0 HD21 LEU B 126 12.785 5.260 -13.270 1.00 0.62 H new ATOM 0 HD22 LEU B 126 11.920 3.709 -13.142 1.00 0.62 H new ATOM 0 HD23 LEU B 126 11.621 4.996 -11.949 1.00 0.62 H new ATOM 4105 N PRO B 127 15.700 3.615 -8.470 1.00 0.53 N ATOM 4106 CA PRO B 127 16.246 4.630 -7.568 1.00 0.58 C ATOM 4107 C PRO B 127 16.363 6.012 -8.204 1.00 0.56 C ATOM 4108 O PRO B 127 16.824 6.153 -9.339 1.00 0.61 O ATOM 4109 CB PRO B 127 17.634 4.079 -7.237 1.00 0.73 C ATOM 4110 CG PRO B 127 18.025 3.317 -8.453 1.00 0.80 C ATOM 4111 CD PRO B 127 16.753 2.723 -8.996 1.00 0.65 C ATOM 0 HA PRO B 127 15.600 4.787 -6.704 1.00 0.58 H new ATOM 0 HB2 PRO B 127 18.341 4.881 -7.026 1.00 0.73 H new ATOM 0 HB3 PRO B 127 17.608 3.437 -6.356 1.00 0.73 H new ATOM 0 HG2 PRO B 127 18.496 3.970 -9.188 1.00 0.80 H new ATOM 0 HG3 PRO B 127 18.747 2.538 -8.210 1.00 0.80 H new ATOM 0 HD2 PRO B 127 16.753 2.703 -10.086 1.00 0.65 H new ATOM 0 HD3 PRO B 127 16.614 1.696 -8.658 1.00 0.65 H new ATOM 4119 N LEU B 128 15.940 7.025 -7.457 1.00 0.53 N ATOM 4120 CA LEU B 128 16.018 8.413 -7.901 1.00 0.57 C ATOM 4121 C LEU B 128 16.576 9.284 -6.769 1.00 0.60 C ATOM 4122 O LEU B 128 15.982 10.301 -6.402 1.00 0.69 O ATOM 4123 CB LEU B 128 14.635 8.924 -8.326 1.00 0.63 C ATOM 4124 CG LEU B 128 14.007 8.201 -9.519 1.00 0.66 C ATOM 4125 CD1 LEU B 128 12.628 8.769 -9.808 1.00 0.79 C ATOM 4126 CD2 LEU B 128 14.895 8.319 -10.749 1.00 0.73 C ATOM 0 H LEU B 128 15.534 6.909 -6.529 1.00 0.53 H new ATOM 0 HA LEU B 128 16.683 8.469 -8.763 1.00 0.57 H new ATOM 0 HB2 LEU B 128 13.959 8.841 -7.475 1.00 0.63 H new ATOM 0 HB3 LEU B 128 14.716 9.984 -8.567 1.00 0.63 H new ATOM 0 HG LEU B 128 13.908 7.145 -9.269 1.00 0.66 H new ATOM 0 HD11 LEU B 128 12.191 8.247 -10.659 1.00 0.79 H new ATOM 0 HD12 LEU B 128 11.990 8.637 -8.934 1.00 0.79 H new ATOM 0 HD13 LEU B 128 12.713 9.831 -10.038 1.00 0.79 H new ATOM 0 HD21 LEU B 128 14.429 7.798 -11.585 1.00 0.73 H new ATOM 0 HD22 LEU B 128 15.025 9.371 -11.004 1.00 0.73 H new ATOM 0 HD23 LEU B 128 15.867 7.873 -10.540 1.00 0.73 H new ATOM 4138 N PRO B 129 17.726 8.887 -6.188 1.00 0.60 N ATOM 4139 CA PRO B 129 18.358 9.613 -5.095 1.00 0.67 C ATOM 4140 C PRO B 129 19.396 10.624 -5.575 1.00 0.68 C ATOM 4141 O PRO B 129 19.789 10.618 -6.744 1.00 0.76 O ATOM 4142 CB PRO B 129 19.040 8.483 -4.333 1.00 0.74 C ATOM 4143 CG PRO B 129 19.487 7.537 -5.398 1.00 0.69 C ATOM 4144 CD PRO B 129 18.520 7.693 -6.550 1.00 0.62 C ATOM 0 HA PRO B 129 17.648 10.204 -4.517 1.00 0.67 H new ATOM 0 HB2 PRO B 129 19.883 8.850 -3.748 1.00 0.74 H new ATOM 0 HB3 PRO B 129 18.353 8.002 -3.636 1.00 0.74 H new ATOM 0 HG2 PRO B 129 20.505 7.763 -5.714 1.00 0.69 H new ATOM 0 HG3 PRO B 129 19.488 6.511 -5.029 1.00 0.69 H new ATOM 0 HD2 PRO B 129 19.044 7.833 -7.495 1.00 0.62 H new ATOM 0 HD3 PRO B 129 17.888 6.812 -6.663 1.00 0.62 H new ATOM 4152 N VAL B 130 19.836 11.485 -4.668 1.00 0.69 N ATOM 4153 CA VAL B 130 20.850 12.481 -4.989 1.00 0.72 C ATOM 4154 C VAL B 130 22.240 11.879 -4.799 1.00 0.78 C ATOM 4155 O VAL B 130 22.784 11.860 -3.694 1.00 1.02 O ATOM 4156 CB VAL B 130 20.704 13.766 -4.141 1.00 0.74 C ATOM 4157 CG1 VAL B 130 19.583 14.639 -4.688 1.00 0.78 C ATOM 4158 CG2 VAL B 130 20.456 13.435 -2.675 1.00 0.73 C ATOM 0 H VAL B 130 19.507 11.514 -3.703 1.00 0.69 H new ATOM 0 HA VAL B 130 20.710 12.769 -6.031 1.00 0.72 H new ATOM 0 HB VAL B 130 21.641 14.319 -4.205 1.00 0.74 H new ATOM 0 HG11 VAL B 130 19.493 15.539 -4.080 1.00 0.78 H new ATOM 0 HG12 VAL B 130 19.808 14.917 -5.718 1.00 0.78 H new ATOM 0 HG13 VAL B 130 18.644 14.086 -4.659 1.00 0.78 H new ATOM 0 HG21 VAL B 130 20.358 14.359 -2.105 1.00 0.73 H new ATOM 0 HG22 VAL B 130 19.539 12.853 -2.584 1.00 0.73 H new ATOM 0 HG23 VAL B 130 21.294 12.856 -2.286 1.00 0.73 H new ATOM 4168 N SER B 131 22.783 11.339 -5.880 1.00 0.76 N ATOM 4169 CA SER B 131 24.101 10.714 -5.862 1.00 0.82 C ATOM 4170 C SER B 131 25.217 11.754 -5.727 1.00 0.86 C ATOM 4171 O SER B 131 24.959 12.939 -5.490 1.00 1.13 O ATOM 4172 CB SER B 131 24.292 9.902 -7.147 1.00 0.90 C ATOM 4173 OG SER B 131 23.040 9.505 -7.688 1.00 1.02 O ATOM 0 H SER B 131 22.326 11.321 -6.792 1.00 0.76 H new ATOM 0 HA SER B 131 24.158 10.057 -4.994 1.00 0.82 H new ATOM 0 HB2 SER B 131 24.837 10.497 -7.880 1.00 0.90 H new ATOM 0 HB3 SER B 131 24.898 9.020 -6.938 1.00 0.90 H new ATOM 0 HG SER B 131 23.187 8.990 -8.509 1.00 1.02 H new ATOM 4179 N SER B 132 26.459 11.303 -5.851 1.00 0.80 N ATOM 4180 CA SER B 132 27.609 12.185 -5.772 1.00 0.84 C ATOM 4181 C SER B 132 28.453 12.039 -7.032 1.00 0.88 C ATOM 4182 O SER B 132 29.187 11.060 -7.191 1.00 0.99 O ATOM 4183 CB SER B 132 28.430 11.876 -4.519 1.00 0.87 C ATOM 4184 OG SER B 132 27.621 11.973 -3.351 1.00 0.86 O ATOM 0 H SER B 132 26.693 10.323 -6.008 1.00 0.80 H new ATOM 0 HA SER B 132 27.269 13.218 -5.701 1.00 0.84 H new ATOM 0 HB2 SER B 132 28.852 10.874 -4.593 1.00 0.87 H new ATOM 0 HB3 SER B 132 29.267 12.570 -4.446 1.00 0.87 H new ATOM 0 HG SER B 132 28.129 12.412 -2.637 1.00 0.86 H new ATOM 4190 N ASP B 133 28.318 13.003 -7.934 1.00 0.93 N ATOM 4191 CA ASP B 133 29.041 12.988 -9.196 1.00 0.99 C ATOM 4192 C ASP B 133 29.519 14.395 -9.543 1.00 1.08 C ATOM 4193 O ASP B 133 30.746 14.620 -9.579 1.00 1.21 O ATOM 4194 CB ASP B 133 28.129 12.436 -10.302 1.00 1.08 C ATOM 4195 CG ASP B 133 28.867 12.120 -11.588 1.00 1.17 C ATOM 4196 OD1 ASP B 133 29.033 13.030 -12.425 1.00 1.28 O ATOM 4197 OD2 ASP B 133 29.262 10.946 -11.778 1.00 1.33 O ATOM 4198 OXT ASP B 133 28.664 15.283 -9.746 1.00 1.17 O ATOM 0 H ASP B 133 27.708 13.811 -7.811 1.00 0.93 H new ATOM 0 HA ASP B 133 29.915 12.344 -9.106 1.00 0.99 H new ATOM 0 HB2 ASP B 133 27.639 11.532 -9.941 1.00 1.08 H new ATOM 0 HB3 ASP B 133 27.344 13.162 -10.511 1.00 1.08 H new