USER MOD reduce.3.24.130724 H: found=0, std=0, add=1510, rem=0, adj=52 USER MOD reduce.3.24.130724 removed 1510 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 89 THR OG1 : rot -68:sc= 1.16 USER MOD Set 1.2: B 90 HIS : no HD1:sc= 0.0587 K(o=1.2,f=-3.4) USER MOD Set 2.1: B 30 LYS NZ :NH3+ 158:sc= 2.13 (180deg=0.304) USER MOD Set 2.2: B 59 GLN : amide:sc= -0.518 K(o=1.6,f=-12!) USER MOD Set 3.1: B 18 TYR OH : rot 180:sc= -0.0784 USER MOD Set 3.2: B 35 GLN : amide:sc=-0.00156 X(o=-0.08,f=-0.28) USER MOD Set 4.1: B 13 ASN : amide:sc= 0.168 K(o=0.32,f=-0.55) USER MOD Set 4.2: B 16 HIS : no HE2:sc= 0.148 K(o=0.32,f=-1.3) USER MOD Set 5.1: A 89 THR OG1 : rot -63:sc= 1.13 USER MOD Set 5.2: A 90 HIS : no HD1:sc= 0.339 K(o=1.5,f=-3.4) USER MOD Set 6.1: A 30 LYS NZ :NH3+ 158:sc= 2.15 (180deg=0.382) USER MOD Set 6.2: A 59 GLN : amide:sc= -0.605 K(o=1.5,f=-12!) USER MOD Set 7.1: A 18 TYR OH : rot 180:sc= -0.0827 USER MOD Set 7.2: A 35 GLN : amide:sc= 0 X(o=-0.083,f=-0.26) USER MOD Set 8.1: A 13 ASN : amide:sc= 0.159 K(o=0.32,f=-0.83) USER MOD Set 8.2: A 16 HIS : no HE2:sc= 0.16 K(o=0.32,f=-1.4) USER MOD Single : A 1 MET CE :methyl 165:sc= -0.0727 (180deg=-0.442) USER MOD Single : A 1 MET N :NH3+ -161:sc= 1.06 (180deg=0.434) USER MOD Single : A 2 THR OG1 : rot 130:sc= 1.22 USER MOD Single : A 3 LYS NZ :NH3+ -139:sc= -0.745 (180deg=-2.87!) USER MOD Single : A 7 HIS : no HE2:sc= -4.63! X(o=-4.6!,f=-4.6) USER MOD Single : A 17 GLN : amide:sc= -0.054 K(o=-0.054,f=-0.6) USER MOD Single : A 19 SER OG : rot -150:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -172:sc= 1.16 (180deg=0.785) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=-0.0062) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -82:sc= 1.22 USER MOD Single : A 39 LYS NZ :NH3+ -108:sc= 0.722 (180deg=-2.46) USER MOD Single : A 43 ASN :FLIP amide:sc= -0.268 F(o=-1.5!,f=-0.27) USER MOD Single : A 44 THR OG1 : rot -34:sc= 0.657 USER MOD Single : A 46 LYS NZ :NH3+ -116:sc= 0 (180deg=-0.95) USER MOD Single : A 47 ASN : amide:sc= 0.728 K(o=0.73,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 165:sc= -0.29 (180deg=-0.672) USER MOD Single : A 51 LYS NZ :NH3+ -166:sc= -0.04 (180deg=-0.267) USER MOD Single : A 64 ASN : amide:sc= 0.147 X(o=0.15,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 68 GLN :FLIP amide:sc=-0.00429 F(o=-0.71,f=-0.0043) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 38:sc= 1.11 USER MOD Single : A 83 LYS NZ :NH3+ -107:sc= -3.12! (180deg=-3.75!) USER MOD Single : A 86 HIS : no HD1:sc= -1.52 K(o=-1.5,f=-2.6!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HE2:sc= 1.07 K(o=1.1,f=-4.4!) USER MOD Single : A 91 LYS NZ :NH3+ 167:sc= -0.772 (180deg=-1.25!) USER MOD Single : B 1 MET CE :methyl 164:sc= -0.0691 (180deg=-0.471) USER MOD Single : B 1 MET N :NH3+ -154:sc= 1.16 (180deg=0.572) USER MOD Single : B 2 THR OG1 : rot 125:sc= 1.3 USER MOD Single : B 3 LYS NZ :NH3+ -143:sc= -0.778 (180deg=-2.9!) USER MOD Single : B 7 HIS : no HE2:sc= -4.58! X(o=-4.6!,f=-4.6) USER MOD Single : B 17 GLN : amide:sc= -0.0464 K(o=-0.046,f=-0.63) USER MOD Single : B 19 SER OG : rot -160:sc= 0 USER MOD Single : B 22 LYS NZ :NH3+ -150:sc= 1.17 (180deg=0.884) USER MOD Single : B 24 HIS : no HD1:sc= 0 X(o=0,f=-0.0042) USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 SER OG : rot 180:sc= 0 USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 THR OG1 : rot -81:sc= 1.16 USER MOD Single : B 39 LYS NZ :NH3+ -108:sc= 0.727 (180deg=-2.26) USER MOD Single : B 43 ASN :FLIP amide:sc= -0.258 F(o=-1.6!,f=-0.26) USER MOD Single : B 44 THR OG1 : rot -54:sc= 0.698 USER MOD Single : B 46 LYS NZ :NH3+ -116:sc= 0 (180deg=-0.971) USER MOD Single : B 47 ASN : amide:sc= 0.79 K(o=0.79,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 164:sc= -0.281 (180deg=-0.719) USER MOD Single : B 51 LYS NZ :NH3+ -166:sc= -0.0363 (180deg=-0.269) USER MOD Single : B 64 ASN : amide:sc= 0.127 X(o=0.13,f=0) USER MOD Single : B 65 GLN : amide:sc= -0.0109 K(o=-0.011,f=-0.94) USER MOD Single : B 68 GLN :FLIP amide:sc= 0 F(o=-0.83,f=0) USER MOD Single : B 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 76 SER OG : rot 40:sc= 1.08 USER MOD Single : B 83 LYS NZ :NH3+ -95:sc= -3.09! (180deg=-3.64!) USER MOD Single : B 86 HIS : no HD1:sc= -1.56! C(o=-1.6!,f=-2.7!) USER MOD Single : B 87 TYR OH : rot 180:sc= 0 USER MOD Single : B 88 HIS : no HE2:sc= 1.07 K(o=1.1,f=-4.4!) USER MOD Single : B 91 LYS NZ :NH3+ 162:sc= -0.776 (180deg=-1.45!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.277 5.148 12.090 1.00 4.69 N ATOM 2 CA MET A 1 -10.437 4.302 13.294 1.00 4.21 C ATOM 3 C MET A 1 -9.475 3.119 13.233 1.00 3.60 C ATOM 4 O MET A 1 -8.597 3.073 12.369 1.00 4.04 O ATOM 5 CB MET A 1 -11.878 3.784 13.391 1.00 4.50 C ATOM 6 CG MET A 1 -12.927 4.881 13.480 1.00 5.00 C ATOM 7 SD MET A 1 -14.615 4.240 13.429 1.00 5.79 S ATOM 8 CE MET A 1 -14.634 3.197 14.886 1.00 6.42 C ATOM 0 H1 MET A 1 -10.676 6.091 12.273 1.00 4.69 H new ATOM 0 H2 MET A 1 -9.267 5.238 11.861 1.00 4.69 H new ATOM 0 H3 MET A 1 -10.776 4.710 11.289 1.00 4.69 H new ATOM 0 HA MET A 1 -10.213 4.905 14.174 1.00 4.21 H new ATOM 0 HB2 MET A 1 -12.089 3.164 12.520 1.00 4.50 H new ATOM 0 HB3 MET A 1 -11.964 3.142 14.268 1.00 4.50 H new ATOM 0 HG2 MET A 1 -12.783 5.441 14.404 1.00 5.00 H new ATOM 0 HG3 MET A 1 -12.784 5.582 12.657 1.00 5.00 H new ATOM 0 HE1 MET A 1 -15.664 2.946 15.141 1.00 6.42 H new ATOM 0 HE2 MET A 1 -14.077 2.282 14.686 1.00 6.42 H new ATOM 0 HE3 MET A 1 -14.173 3.728 15.719 1.00 6.42 H new ATOM 20 N THR A 2 -9.643 2.185 14.168 1.00 3.06 N ATOM 21 CA THR A 2 -8.877 0.939 14.215 1.00 2.90 C ATOM 22 C THR A 2 -7.379 1.183 14.418 1.00 2.45 C ATOM 23 O THR A 2 -6.875 1.118 15.539 1.00 3.04 O ATOM 24 CB THR A 2 -9.091 0.092 12.944 1.00 3.67 C ATOM 25 OG1 THR A 2 -10.463 0.145 12.545 1.00 4.25 O ATOM 26 CG2 THR A 2 -8.695 -1.357 13.191 1.00 4.23 C ATOM 0 H THR A 2 -10.323 2.273 14.923 1.00 3.06 H new ATOM 0 HA THR A 2 -9.254 0.389 15.077 1.00 2.90 H new ATOM 0 HB THR A 2 -8.463 0.501 12.152 1.00 3.67 H new ATOM 0 HG1 THR A 2 -10.518 0.368 11.592 1.00 4.25 H new ATOM 0 HG21 THR A 2 -8.854 -1.938 12.282 1.00 4.23 H new ATOM 0 HG22 THR A 2 -7.643 -1.404 13.473 1.00 4.23 H new ATOM 0 HG23 THR A 2 -9.305 -1.769 13.995 1.00 4.23 H new ATOM 34 N LYS A 3 -6.671 1.469 13.335 1.00 2.16 N ATOM 35 CA LYS A 3 -5.232 1.667 13.394 1.00 2.53 C ATOM 36 C LYS A 3 -4.875 3.057 12.871 1.00 2.08 C ATOM 37 O LYS A 3 -3.705 3.415 12.756 1.00 2.81 O ATOM 38 CB LYS A 3 -4.525 0.564 12.590 1.00 3.53 C ATOM 39 CG LYS A 3 -3.004 0.553 12.719 1.00 4.29 C ATOM 40 CD LYS A 3 -2.530 0.448 14.170 1.00 5.38 C ATOM 41 CE LYS A 3 -2.702 -0.951 14.757 1.00 5.97 C ATOM 42 NZ LYS A 3 -4.118 -1.290 15.056 1.00 6.05 N ATOM 0 H LYS A 3 -7.072 1.569 12.403 1.00 2.16 H new ATOM 0 HA LYS A 3 -4.894 1.603 14.428 1.00 2.53 H new ATOM 0 HB2 LYS A 3 -4.910 -0.404 12.911 1.00 3.53 H new ATOM 0 HB3 LYS A 3 -4.786 0.677 11.538 1.00 3.53 H new ATOM 0 HG2 LYS A 3 -2.602 -0.285 12.149 1.00 4.29 H new ATOM 0 HG3 LYS A 3 -2.600 1.463 12.275 1.00 4.29 H new ATOM 0 HD2 LYS A 3 -1.479 0.731 14.224 1.00 5.38 H new ATOM 0 HD3 LYS A 3 -3.084 1.162 14.779 1.00 5.38 H new ATOM 0 HE2 LYS A 3 -2.300 -1.684 14.057 1.00 5.97 H new ATOM 0 HE3 LYS A 3 -2.115 -1.029 15.672 1.00 5.97 H new ATOM 0 HZ1 LYS A 3 -4.170 -1.794 15.964 1.00 6.05 H new ATOM 0 HZ2 LYS A 3 -4.680 -0.417 15.112 1.00 6.05 H new ATOM 0 HZ3 LYS A 3 -4.496 -1.897 14.301 1.00 6.05 H new ATOM 56 N LEU A 4 -5.910 3.831 12.555 1.00 1.61 N ATOM 57 CA LEU A 4 -5.754 5.214 12.113 1.00 1.98 C ATOM 58 C LEU A 4 -4.866 5.305 10.871 1.00 1.51 C ATOM 59 O LEU A 4 -4.880 4.409 10.026 1.00 2.03 O ATOM 60 CB LEU A 4 -5.189 6.070 13.253 1.00 3.02 C ATOM 61 CG LEU A 4 -6.017 6.065 14.540 1.00 3.80 C ATOM 62 CD1 LEU A 4 -5.350 6.913 15.608 1.00 4.50 C ATOM 63 CD2 LEU A 4 -7.428 6.565 14.271 1.00 4.44 C ATOM 0 H LEU A 4 -6.880 3.517 12.598 1.00 1.61 H new ATOM 0 HA LEU A 4 -6.737 5.598 11.840 1.00 1.98 H new ATOM 0 HB2 LEU A 4 -4.183 5.720 13.485 1.00 3.02 H new ATOM 0 HB3 LEU A 4 -5.096 7.098 12.903 1.00 3.02 H new ATOM 0 HG LEU A 4 -6.078 5.039 14.902 1.00 3.80 H new ATOM 0 HD11 LEU A 4 -5.954 6.897 16.515 1.00 4.50 H new ATOM 0 HD12 LEU A 4 -4.359 6.513 15.824 1.00 4.50 H new ATOM 0 HD13 LEU A 4 -5.257 7.939 15.252 1.00 4.50 H new ATOM 0 HD21 LEU A 4 -8.001 6.554 15.198 1.00 4.44 H new ATOM 0 HD22 LEU A 4 -7.386 7.583 13.883 1.00 4.44 H new ATOM 0 HD23 LEU A 4 -7.910 5.917 13.539 1.00 4.44 H new ATOM 75 N GLU A 5 -4.090 6.374 10.762 1.00 1.20 N ATOM 76 CA GLU A 5 -3.233 6.581 9.600 1.00 0.93 C ATOM 77 C GLU A 5 -1.916 5.828 9.752 1.00 0.69 C ATOM 78 O GLU A 5 -1.100 5.811 8.831 1.00 0.68 O ATOM 79 CB GLU A 5 -2.943 8.068 9.410 1.00 1.39 C ATOM 80 CG GLU A 5 -4.186 8.924 9.276 1.00 1.80 C ATOM 81 CD GLU A 5 -3.850 10.389 9.108 1.00 2.48 C ATOM 82 OE1 GLU A 5 -3.567 10.806 7.969 1.00 3.00 O ATOM 83 OE2 GLU A 5 -3.850 11.123 10.116 1.00 3.10 O ATOM 0 H GLU A 5 -4.035 7.112 11.464 1.00 1.20 H new ATOM 0 HA GLU A 5 -3.761 6.198 8.726 1.00 0.93 H new ATOM 0 HB2 GLU A 5 -2.358 8.425 10.257 1.00 1.39 H new ATOM 0 HB3 GLU A 5 -2.327 8.197 8.520 1.00 1.39 H new ATOM 0 HG2 GLU A 5 -4.769 8.585 8.419 1.00 1.80 H new ATOM 0 HG3 GLU A 5 -4.812 8.795 10.159 1.00 1.80 H new ATOM 90 N GLU A 6 -1.739 5.185 10.901 1.00 0.68 N ATOM 91 CA GLU A 6 -0.485 4.513 11.248 1.00 0.67 C ATOM 92 C GLU A 6 -0.042 3.515 10.172 1.00 0.54 C ATOM 93 O GLU A 6 1.144 3.262 10.002 1.00 0.60 O ATOM 94 CB GLU A 6 -0.638 3.800 12.593 1.00 0.78 C ATOM 95 CG GLU A 6 0.657 3.235 13.145 1.00 1.07 C ATOM 96 CD GLU A 6 1.665 4.317 13.480 1.00 1.79 C ATOM 97 OE1 GLU A 6 1.497 4.985 14.521 1.00 2.48 O ATOM 98 OE2 GLU A 6 2.633 4.496 12.716 1.00 2.51 O ATOM 0 H GLU A 6 -2.459 5.113 11.620 1.00 0.68 H new ATOM 0 HA GLU A 6 0.289 5.277 11.317 1.00 0.67 H new ATOM 0 HB2 GLU A 6 -1.055 4.500 13.318 1.00 0.78 H new ATOM 0 HB3 GLU A 6 -1.358 2.989 12.482 1.00 0.78 H new ATOM 0 HG2 GLU A 6 0.443 2.652 14.041 1.00 1.07 H new ATOM 0 HG3 GLU A 6 1.091 2.551 12.416 1.00 1.07 H new ATOM 105 N HIS A 7 -0.989 2.947 9.439 1.00 0.42 N ATOM 106 CA HIS A 7 -0.632 2.017 8.369 1.00 0.38 C ATOM 107 C HIS A 7 -0.020 2.742 7.161 1.00 0.35 C ATOM 108 O HIS A 7 0.993 2.300 6.621 1.00 0.39 O ATOM 109 CB HIS A 7 -1.821 1.127 7.950 1.00 0.43 C ATOM 110 CG HIS A 7 -3.165 1.802 7.871 1.00 0.95 C ATOM 111 ND1 HIS A 7 -4.339 1.158 8.195 1.00 1.73 N ATOM 112 CD2 HIS A 7 -3.528 3.047 7.480 1.00 1.60 C ATOM 113 CE1 HIS A 7 -5.358 1.975 8.007 1.00 2.16 C ATOM 114 NE2 HIS A 7 -4.894 3.129 7.574 1.00 2.03 N ATOM 0 H HIS A 7 -1.989 3.106 9.558 1.00 0.42 H new ATOM 0 HA HIS A 7 0.134 1.356 8.774 1.00 0.38 H new ATOM 0 HB2 HIS A 7 -1.598 0.695 6.975 1.00 0.43 H new ATOM 0 HB3 HIS A 7 -1.895 0.300 8.656 1.00 0.43 H new ATOM 0 HD1 HIS A 7 -4.410 0.197 8.529 1.00 1.73 H new ATOM 0 HD2 HIS A 7 -2.863 3.833 7.153 1.00 1.60 H new ATOM 0 HE1 HIS A 7 -6.397 1.737 8.179 1.00 2.16 H new ATOM 123 N LEU A 8 -0.599 3.874 6.775 1.00 0.34 N ATOM 124 CA LEU A 8 -0.121 4.627 5.616 1.00 0.32 C ATOM 125 C LEU A 8 1.078 5.471 6.004 1.00 0.33 C ATOM 126 O LEU A 8 2.168 5.333 5.449 1.00 0.33 O ATOM 127 CB LEU A 8 -1.215 5.550 5.088 1.00 0.33 C ATOM 128 CG LEU A 8 -2.467 4.849 4.563 1.00 0.32 C ATOM 129 CD1 LEU A 8 -3.505 5.867 4.154 1.00 0.32 C ATOM 130 CD2 LEU A 8 -2.124 3.940 3.396 1.00 0.33 C ATOM 0 H LEU A 8 -1.401 4.292 7.247 1.00 0.34 H new ATOM 0 HA LEU A 8 0.159 3.913 4.841 1.00 0.32 H new ATOM 0 HB2 LEU A 8 -1.509 6.231 5.886 1.00 0.33 H new ATOM 0 HB3 LEU A 8 -0.797 6.159 4.287 1.00 0.33 H new ATOM 0 HG LEU A 8 -2.879 4.234 5.363 1.00 0.32 H new ATOM 0 HD11 LEU A 8 -4.392 5.353 3.782 1.00 0.32 H new ATOM 0 HD12 LEU A 8 -3.774 6.478 5.015 1.00 0.32 H new ATOM 0 HD13 LEU A 8 -3.099 6.505 3.369 1.00 0.32 H new ATOM 0 HD21 LEU A 8 -3.030 3.451 3.037 1.00 0.33 H new ATOM 0 HD22 LEU A 8 -1.688 4.531 2.591 1.00 0.33 H new ATOM 0 HD23 LEU A 8 -1.408 3.185 3.721 1.00 0.33 H new ATOM 142 N GLU A 9 0.861 6.332 6.984 1.00 0.37 N ATOM 143 CA GLU A 9 1.871 7.264 7.432 1.00 0.40 C ATOM 144 C GLU A 9 3.007 6.513 8.115 1.00 0.40 C ATOM 145 O GLU A 9 4.148 6.972 8.132 1.00 0.42 O ATOM 146 CB GLU A 9 1.243 8.274 8.389 1.00 0.47 C ATOM 147 CG GLU A 9 2.055 9.540 8.561 1.00 1.24 C ATOM 148 CD GLU A 9 1.449 10.476 9.580 1.00 1.72 C ATOM 149 OE1 GLU A 9 0.458 11.161 9.254 1.00 2.17 O ATOM 150 OE2 GLU A 9 1.955 10.519 10.723 1.00 2.41 O ATOM 0 H GLU A 9 -0.022 6.401 7.489 1.00 0.37 H new ATOM 0 HA GLU A 9 2.280 7.798 6.574 1.00 0.40 H new ATOM 0 HB2 GLU A 9 0.250 8.537 8.024 1.00 0.47 H new ATOM 0 HB3 GLU A 9 1.110 7.803 9.363 1.00 0.47 H new ATOM 0 HG2 GLU A 9 3.068 9.280 8.867 1.00 1.24 H new ATOM 0 HG3 GLU A 9 2.133 10.052 7.602 1.00 1.24 H new ATOM 157 N GLY A 10 2.678 5.349 8.667 1.00 0.40 N ATOM 158 CA GLY A 10 3.678 4.499 9.279 1.00 0.43 C ATOM 159 C GLY A 10 4.616 3.910 8.250 1.00 0.39 C ATOM 160 O GLY A 10 5.824 3.896 8.454 1.00 0.44 O ATOM 0 H GLY A 10 1.728 4.979 8.700 1.00 0.40 H new ATOM 0 HA2 GLY A 10 4.250 5.076 10.006 1.00 0.43 H new ATOM 0 HA3 GLY A 10 3.187 3.695 9.826 1.00 0.43 H new ATOM 164 N ILE A 11 4.059 3.421 7.142 1.00 0.34 N ATOM 165 CA ILE A 11 4.874 2.962 6.019 1.00 0.33 C ATOM 166 C ILE A 11 5.826 4.070 5.580 1.00 0.33 C ATOM 167 O ILE A 11 7.031 3.859 5.419 1.00 0.38 O ATOM 168 CB ILE A 11 3.984 2.539 4.824 1.00 0.35 C ATOM 169 CG1 ILE A 11 3.473 1.105 5.009 1.00 0.41 C ATOM 170 CG2 ILE A 11 4.727 2.675 3.504 1.00 0.50 C ATOM 171 CD1 ILE A 11 4.558 0.051 4.927 1.00 1.16 C ATOM 0 H ILE A 11 3.053 3.333 6.999 1.00 0.34 H new ATOM 0 HA ILE A 11 5.448 2.095 6.348 1.00 0.33 H new ATOM 0 HB ILE A 11 3.127 3.212 4.796 1.00 0.35 H new ATOM 0 HG12 ILE A 11 2.978 1.028 5.977 1.00 0.41 H new ATOM 0 HG13 ILE A 11 2.720 0.897 4.249 1.00 0.41 H new ATOM 0 HG21 ILE A 11 4.074 2.370 2.686 1.00 0.50 H new ATOM 0 HG22 ILE A 11 5.028 3.713 3.361 1.00 0.50 H new ATOM 0 HG23 ILE A 11 5.612 2.039 3.518 1.00 0.50 H new ATOM 0 HD11 ILE A 11 4.118 -0.936 5.068 1.00 1.16 H new ATOM 0 HD12 ILE A 11 5.038 0.098 3.950 1.00 1.16 H new ATOM 0 HD13 ILE A 11 5.300 0.231 5.705 1.00 1.16 H new ATOM 183 N VAL A 12 5.264 5.255 5.424 1.00 0.33 N ATOM 184 CA VAL A 12 6.009 6.425 4.999 1.00 0.38 C ATOM 185 C VAL A 12 7.103 6.789 6.004 1.00 0.40 C ATOM 186 O VAL A 12 8.228 7.121 5.624 1.00 0.45 O ATOM 187 CB VAL A 12 5.036 7.604 4.802 1.00 0.45 C ATOM 188 CG1 VAL A 12 5.772 8.905 4.546 1.00 0.57 C ATOM 189 CG2 VAL A 12 4.092 7.290 3.657 1.00 0.48 C ATOM 0 H VAL A 12 4.273 5.433 5.589 1.00 0.33 H new ATOM 0 HA VAL A 12 6.503 6.199 4.054 1.00 0.38 H new ATOM 0 HB VAL A 12 4.465 7.736 5.721 1.00 0.45 H new ATOM 0 HG11 VAL A 12 5.050 9.711 4.412 1.00 0.57 H new ATOM 0 HG12 VAL A 12 6.416 9.132 5.395 1.00 0.57 H new ATOM 0 HG13 VAL A 12 6.379 8.809 3.646 1.00 0.57 H new ATOM 0 HG21 VAL A 12 3.402 8.122 3.515 1.00 0.48 H new ATOM 0 HG22 VAL A 12 4.667 7.135 2.744 1.00 0.48 H new ATOM 0 HG23 VAL A 12 3.528 6.387 3.888 1.00 0.48 H new ATOM 199 N ASN A 13 6.774 6.691 7.285 1.00 0.42 N ATOM 200 CA ASN A 13 7.709 7.035 8.349 1.00 0.48 C ATOM 201 C ASN A 13 8.788 5.964 8.497 1.00 0.48 C ATOM 202 O ASN A 13 9.901 6.254 8.924 1.00 0.58 O ATOM 203 CB ASN A 13 6.961 7.226 9.673 1.00 0.61 C ATOM 204 CG ASN A 13 7.864 7.699 10.798 1.00 0.75 C ATOM 205 OD1 ASN A 13 8.875 8.368 10.566 1.00 1.31 O ATOM 206 ND2 ASN A 13 7.495 7.369 12.026 1.00 1.42 N ATOM 0 H ASN A 13 5.862 6.374 7.614 1.00 0.42 H new ATOM 0 HA ASN A 13 8.197 7.972 8.083 1.00 0.48 H new ATOM 0 HB2 ASN A 13 6.158 7.949 9.530 1.00 0.61 H new ATOM 0 HB3 ASN A 13 6.494 6.284 9.960 1.00 0.61 H new ATOM 0 HD21 ASN A 13 8.054 7.669 12.825 1.00 1.42 H new ATOM 0 HD22 ASN A 13 6.652 6.814 12.173 1.00 1.42 H new ATOM 213 N ILE A 14 8.459 4.728 8.140 1.00 0.47 N ATOM 214 CA ILE A 14 9.427 3.639 8.190 1.00 0.57 C ATOM 215 C ILE A 14 10.424 3.748 7.038 1.00 0.53 C ATOM 216 O ILE A 14 11.614 3.449 7.199 1.00 0.60 O ATOM 217 CB ILE A 14 8.732 2.258 8.190 1.00 0.68 C ATOM 218 CG1 ILE A 14 8.001 2.057 9.520 1.00 1.33 C ATOM 219 CG2 ILE A 14 9.737 1.135 7.954 1.00 1.14 C ATOM 220 CD1 ILE A 14 7.295 0.726 9.641 1.00 2.06 C ATOM 0 H ILE A 14 7.532 4.455 7.814 1.00 0.47 H new ATOM 0 HA ILE A 14 9.975 3.728 9.128 1.00 0.57 H new ATOM 0 HB ILE A 14 8.011 2.229 7.373 1.00 0.68 H new ATOM 0 HG12 ILE A 14 8.719 2.151 10.335 1.00 1.33 H new ATOM 0 HG13 ILE A 14 7.271 2.856 9.645 1.00 1.33 H new ATOM 0 HG21 ILE A 14 9.219 0.176 7.959 1.00 1.14 H new ATOM 0 HG22 ILE A 14 10.224 1.279 6.989 1.00 1.14 H new ATOM 0 HG23 ILE A 14 10.488 1.146 8.744 1.00 1.14 H new ATOM 0 HD11 ILE A 14 6.802 0.662 10.611 1.00 2.06 H new ATOM 0 HD12 ILE A 14 6.551 0.635 8.850 1.00 2.06 H new ATOM 0 HD13 ILE A 14 8.022 -0.081 9.550 1.00 2.06 H new ATOM 232 N PHE A 15 9.954 4.206 5.882 1.00 0.48 N ATOM 233 CA PHE A 15 10.863 4.499 4.783 1.00 0.58 C ATOM 234 C PHE A 15 11.801 5.618 5.213 1.00 0.60 C ATOM 235 O PHE A 15 13.003 5.576 4.961 1.00 0.70 O ATOM 236 CB PHE A 15 10.093 4.902 3.523 1.00 0.68 C ATOM 237 CG PHE A 15 10.972 5.059 2.312 1.00 1.18 C ATOM 238 CD1 PHE A 15 11.475 3.945 1.660 1.00 1.74 C ATOM 239 CD2 PHE A 15 11.299 6.317 1.832 1.00 1.93 C ATOM 240 CE1 PHE A 15 12.285 4.081 0.549 1.00 2.35 C ATOM 241 CE2 PHE A 15 12.111 6.458 0.721 1.00 2.54 C ATOM 242 CZ PHE A 15 12.603 5.339 0.080 1.00 2.57 C ATOM 0 H PHE A 15 8.968 4.379 5.685 1.00 0.48 H new ATOM 0 HA PHE A 15 11.437 3.604 4.543 1.00 0.58 H new ATOM 0 HB2 PHE A 15 9.331 4.150 3.315 1.00 0.68 H new ATOM 0 HB3 PHE A 15 9.572 5.841 3.709 1.00 0.68 H new ATOM 0 HD1 PHE A 15 11.231 2.958 2.025 1.00 1.74 H new ATOM 0 HD2 PHE A 15 10.916 7.196 2.330 1.00 1.93 H new ATOM 0 HE1 PHE A 15 12.669 3.204 0.049 1.00 2.35 H new ATOM 0 HE2 PHE A 15 12.360 7.443 0.355 1.00 2.54 H new ATOM 0 HZ PHE A 15 13.236 5.448 -0.788 1.00 2.57 H new ATOM 252 N HIS A 16 11.228 6.599 5.900 1.00 0.59 N ATOM 253 CA HIS A 16 11.982 7.704 6.482 1.00 0.71 C ATOM 254 C HIS A 16 12.891 7.213 7.616 1.00 0.75 C ATOM 255 O HIS A 16 13.867 7.871 7.969 1.00 0.88 O ATOM 256 CB HIS A 16 11.000 8.774 6.990 1.00 0.77 C ATOM 257 CG HIS A 16 11.610 9.827 7.869 1.00 1.15 C ATOM 258 ND1 HIS A 16 11.229 10.017 9.179 1.00 1.82 N ATOM 259 CD2 HIS A 16 12.576 10.746 7.623 1.00 1.84 C ATOM 260 CE1 HIS A 16 11.932 11.004 9.701 1.00 2.22 C ATOM 261 NE2 HIS A 16 12.756 11.463 8.778 1.00 2.23 N ATOM 0 H HIS A 16 10.224 6.651 6.070 1.00 0.59 H new ATOM 0 HA HIS A 16 12.624 8.140 5.717 1.00 0.71 H new ATOM 0 HB2 HIS A 16 10.540 9.261 6.130 1.00 0.77 H new ATOM 0 HB3 HIS A 16 10.201 8.280 7.542 1.00 0.77 H new ATOM 0 HD1 HIS A 16 10.515 9.479 9.669 1.00 1.82 H new ATOM 0 HD2 HIS A 16 13.105 10.887 6.692 1.00 1.84 H new ATOM 0 HE1 HIS A 16 11.847 11.374 10.712 1.00 2.22 H new ATOM 270 N GLN A 17 12.560 6.062 8.183 1.00 0.69 N ATOM 271 CA GLN A 17 13.323 5.509 9.291 1.00 0.81 C ATOM 272 C GLN A 17 14.706 5.071 8.829 1.00 0.93 C ATOM 273 O GLN A 17 15.712 5.426 9.446 1.00 1.18 O ATOM 274 CB GLN A 17 12.574 4.337 9.931 1.00 0.85 C ATOM 275 CG GLN A 17 13.290 3.718 11.123 1.00 1.27 C ATOM 276 CD GLN A 17 13.511 4.704 12.254 1.00 1.99 C ATOM 277 OE1 GLN A 17 12.728 5.634 12.452 1.00 2.60 O ATOM 278 NE2 GLN A 17 14.577 4.503 13.007 1.00 2.77 N ATOM 0 H GLN A 17 11.766 5.492 7.893 1.00 0.69 H new ATOM 0 HA GLN A 17 13.445 6.290 10.042 1.00 0.81 H new ATOM 0 HB2 GLN A 17 11.590 4.680 10.250 1.00 0.85 H new ATOM 0 HB3 GLN A 17 12.414 3.567 9.177 1.00 0.85 H new ATOM 0 HG2 GLN A 17 12.708 2.874 11.492 1.00 1.27 H new ATOM 0 HG3 GLN A 17 14.253 3.324 10.798 1.00 1.27 H new ATOM 0 HE21 GLN A 17 15.201 3.721 12.809 1.00 2.77 H new ATOM 0 HE22 GLN A 17 14.777 5.130 13.786 1.00 2.77 H new ATOM 287 N TYR A 18 14.769 4.304 7.746 1.00 0.85 N ATOM 288 CA TYR A 18 16.060 3.875 7.235 1.00 1.07 C ATOM 289 C TYR A 18 16.647 4.911 6.281 1.00 1.34 C ATOM 290 O TYR A 18 17.823 5.262 6.384 1.00 1.76 O ATOM 291 CB TYR A 18 15.972 2.515 6.542 1.00 1.22 C ATOM 292 CG TYR A 18 17.336 1.962 6.189 1.00 2.34 C ATOM 293 CD1 TYR A 18 18.151 1.415 7.170 1.00 3.14 C ATOM 294 CD2 TYR A 18 17.818 2.012 4.890 1.00 3.25 C ATOM 295 CE1 TYR A 18 19.407 0.928 6.866 1.00 4.38 C ATOM 296 CE2 TYR A 18 19.075 1.530 4.579 1.00 4.48 C ATOM 297 CZ TYR A 18 19.864 0.989 5.567 1.00 4.92 C ATOM 298 OH TYR A 18 21.118 0.512 5.257 1.00 6.25 O ATOM 0 H TYR A 18 13.961 3.974 7.218 1.00 0.85 H new ATOM 0 HA TYR A 18 16.723 3.775 8.094 1.00 1.07 H new ATOM 0 HB2 TYR A 18 15.454 1.811 7.193 1.00 1.22 H new ATOM 0 HB3 TYR A 18 15.375 2.610 5.635 1.00 1.22 H new ATOM 0 HD1 TYR A 18 17.797 1.369 8.189 1.00 3.14 H new ATOM 0 HD2 TYR A 18 17.202 2.434 4.110 1.00 3.25 H new ATOM 0 HE1 TYR A 18 20.027 0.502 7.641 1.00 4.38 H new ATOM 0 HE2 TYR A 18 19.437 1.578 3.563 1.00 4.48 H new ATOM 0 HH TYR A 18 21.285 0.629 4.298 1.00 6.25 H new ATOM 308 N SER A 19 15.832 5.410 5.363 1.00 1.32 N ATOM 309 CA SER A 19 16.304 6.369 4.376 1.00 1.77 C ATOM 310 C SER A 19 16.540 7.728 5.027 1.00 1.85 C ATOM 311 O SER A 19 15.727 8.201 5.822 1.00 2.32 O ATOM 312 CB SER A 19 15.297 6.494 3.227 1.00 2.37 C ATOM 313 OG SER A 19 15.787 7.340 2.200 1.00 3.01 O ATOM 0 H SER A 19 14.845 5.168 5.281 1.00 1.32 H new ATOM 0 HA SER A 19 17.250 6.011 3.969 1.00 1.77 H new ATOM 0 HB2 SER A 19 15.086 5.506 2.817 1.00 2.37 H new ATOM 0 HB3 SER A 19 14.355 6.889 3.608 1.00 2.37 H new ATOM 0 HG SER A 19 15.035 7.782 1.753 1.00 3.01 H new ATOM 319 N VAL A 20 17.666 8.340 4.702 1.00 2.11 N ATOM 320 CA VAL A 20 18.016 9.635 5.258 1.00 2.50 C ATOM 321 C VAL A 20 17.442 10.761 4.400 1.00 2.64 C ATOM 322 O VAL A 20 17.522 10.725 3.172 1.00 3.25 O ATOM 323 CB VAL A 20 19.553 9.792 5.392 1.00 3.30 C ATOM 324 CG1 VAL A 20 20.248 9.626 4.046 1.00 3.90 C ATOM 325 CG2 VAL A 20 19.909 11.131 6.022 1.00 4.13 C ATOM 0 H VAL A 20 18.355 7.959 4.054 1.00 2.11 H new ATOM 0 HA VAL A 20 17.581 9.697 6.255 1.00 2.50 H new ATOM 0 HB VAL A 20 19.909 8.999 6.050 1.00 3.30 H new ATOM 0 HG11 VAL A 20 21.324 9.742 4.175 1.00 3.90 H new ATOM 0 HG12 VAL A 20 20.035 8.634 3.647 1.00 3.90 H new ATOM 0 HG13 VAL A 20 19.882 10.383 3.352 1.00 3.90 H new ATOM 0 HG21 VAL A 20 20.992 11.217 6.105 1.00 4.13 H new ATOM 0 HG22 VAL A 20 19.527 11.939 5.398 1.00 4.13 H new ATOM 0 HG23 VAL A 20 19.462 11.196 7.014 1.00 4.13 H new ATOM 335 N ARG A 21 16.839 11.747 5.050 1.00 2.80 N ATOM 336 CA ARG A 21 16.300 12.897 4.346 1.00 3.55 C ATOM 337 C ARG A 21 17.430 13.823 3.907 1.00 3.96 C ATOM 338 O ARG A 21 17.785 14.774 4.604 1.00 4.55 O ATOM 339 CB ARG A 21 15.291 13.654 5.223 1.00 4.19 C ATOM 340 CG ARG A 21 14.794 14.960 4.612 1.00 4.83 C ATOM 341 CD ARG A 21 14.048 14.740 3.305 1.00 5.36 C ATOM 342 NE ARG A 21 12.748 14.105 3.511 1.00 5.87 N ATOM 343 CZ ARG A 21 11.757 14.133 2.620 1.00 6.57 C ATOM 344 NH1 ARG A 21 11.936 14.702 1.433 1.00 6.84 N ATOM 345 NH2 ARG A 21 10.591 13.575 2.914 1.00 7.28 N ATOM 0 H ARG A 21 16.712 11.772 6.062 1.00 2.80 H new ATOM 0 HA ARG A 21 15.775 12.542 3.460 1.00 3.55 H new ATOM 0 HB2 ARG A 21 14.436 13.007 5.416 1.00 4.19 H new ATOM 0 HB3 ARG A 21 15.752 13.868 6.187 1.00 4.19 H new ATOM 0 HG2 ARG A 21 14.138 15.464 5.322 1.00 4.83 H new ATOM 0 HG3 ARG A 21 15.642 15.622 4.437 1.00 4.83 H new ATOM 0 HD2 ARG A 21 13.907 15.697 2.803 1.00 5.36 H new ATOM 0 HD3 ARG A 21 14.653 14.120 2.644 1.00 5.36 H new ATOM 0 HE ARG A 21 12.590 13.611 4.389 1.00 5.87 H new ATOM 0 HH11 ARG A 21 12.836 15.121 1.199 1.00 6.84 H new ATOM 0 HH12 ARG A 21 11.173 14.720 0.756 1.00 6.84 H new ATOM 0 HH21 ARG A 21 10.454 13.126 3.820 1.00 7.28 H new ATOM 0 HH22 ARG A 21 9.830 13.595 2.235 1.00 7.28 H new ATOM 359 N LYS A 22 18.019 13.508 2.766 1.00 4.13 N ATOM 360 CA LYS A 22 19.018 14.370 2.166 1.00 4.90 C ATOM 361 C LYS A 22 18.320 15.464 1.369 1.00 5.04 C ATOM 362 O LYS A 22 18.512 16.653 1.618 1.00 5.58 O ATOM 363 CB LYS A 22 19.951 13.560 1.263 1.00 5.68 C ATOM 364 CG LYS A 22 21.068 14.384 0.646 1.00 6.44 C ATOM 365 CD LYS A 22 21.938 13.545 -0.275 1.00 7.32 C ATOM 366 CE LYS A 22 23.014 14.383 -0.944 1.00 8.19 C ATOM 367 NZ LYS A 22 22.435 15.505 -1.731 1.00 8.70 N ATOM 0 H LYS A 22 17.821 12.659 2.237 1.00 4.13 H new ATOM 0 HA LYS A 22 19.622 14.825 2.951 1.00 4.90 H new ATOM 0 HB2 LYS A 22 20.388 12.747 1.843 1.00 5.68 H new ATOM 0 HB3 LYS A 22 19.365 13.103 0.466 1.00 5.68 H new ATOM 0 HG2 LYS A 22 20.641 15.216 0.086 1.00 6.44 H new ATOM 0 HG3 LYS A 22 21.683 14.814 1.436 1.00 6.44 H new ATOM 0 HD2 LYS A 22 22.404 12.742 0.296 1.00 7.32 H new ATOM 0 HD3 LYS A 22 21.316 13.075 -1.037 1.00 7.32 H new ATOM 0 HE2 LYS A 22 23.688 14.782 -0.185 1.00 8.19 H new ATOM 0 HE3 LYS A 22 23.612 13.750 -1.600 1.00 8.19 H new ATOM 0 HZ1 LYS A 22 23.187 15.969 -2.279 1.00 8.70 H new ATOM 0 HZ2 LYS A 22 21.711 15.136 -2.380 1.00 8.70 H new ATOM 0 HZ3 LYS A 22 22.002 16.195 -1.085 1.00 8.70 H new ATOM 381 N GLY A 23 17.485 15.049 0.427 1.00 4.88 N ATOM 382 CA GLY A 23 16.712 15.990 -0.349 1.00 5.26 C ATOM 383 C GLY A 23 15.349 15.443 -0.707 1.00 5.25 C ATOM 384 O GLY A 23 14.458 15.360 0.141 1.00 5.67 O ATOM 0 H GLY A 23 17.330 14.070 0.187 1.00 4.88 H new ATOM 0 HA2 GLY A 23 16.595 16.915 0.215 1.00 5.26 H new ATOM 0 HA3 GLY A 23 17.254 16.239 -1.261 1.00 5.26 H new ATOM 388 N HIS A 24 15.186 15.059 -1.964 1.00 5.15 N ATOM 389 CA HIS A 24 13.929 14.497 -2.437 1.00 5.44 C ATOM 390 C HIS A 24 14.164 13.142 -3.090 1.00 4.99 C ATOM 391 O HIS A 24 13.803 12.107 -2.536 1.00 5.43 O ATOM 392 CB HIS A 24 13.236 15.445 -3.424 1.00 6.29 C ATOM 393 CG HIS A 24 12.607 16.643 -2.779 1.00 6.92 C ATOM 394 ND1 HIS A 24 11.244 16.825 -2.699 1.00 7.55 N ATOM 395 CD2 HIS A 24 13.161 17.724 -2.181 1.00 7.35 C ATOM 396 CE1 HIS A 24 10.989 17.963 -2.082 1.00 8.27 C ATOM 397 NE2 HIS A 24 12.135 18.527 -1.756 1.00 8.17 N ATOM 0 H HIS A 24 15.911 15.127 -2.678 1.00 5.15 H new ATOM 0 HA HIS A 24 13.276 14.365 -1.574 1.00 5.44 H new ATOM 0 HB2 HIS A 24 13.965 15.783 -4.161 1.00 6.29 H new ATOM 0 HB3 HIS A 24 12.469 14.892 -3.965 1.00 6.29 H new ATOM 0 HD2 HIS A 24 14.217 17.918 -2.061 1.00 7.35 H new ATOM 0 HE1 HIS A 24 10.007 18.365 -1.878 1.00 8.27 H new ATOM 0 HE2 HIS A 24 12.241 19.416 -1.267 1.00 8.17 H new ATOM 406 N PHE A 25 14.785 13.156 -4.263 1.00 4.48 N ATOM 407 CA PHE A 25 15.064 11.928 -4.998 1.00 4.32 C ATOM 408 C PHE A 25 16.527 11.888 -5.414 1.00 3.71 C ATOM 409 O PHE A 25 16.850 11.778 -6.598 1.00 3.95 O ATOM 410 CB PHE A 25 14.160 11.817 -6.230 1.00 4.90 C ATOM 411 CG PHE A 25 12.696 11.886 -5.905 1.00 5.62 C ATOM 412 CD1 PHE A 25 12.065 10.832 -5.266 1.00 6.16 C ATOM 413 CD2 PHE A 25 11.953 13.009 -6.228 1.00 6.16 C ATOM 414 CE1 PHE A 25 10.722 10.896 -4.956 1.00 7.09 C ATOM 415 CE2 PHE A 25 10.609 13.080 -5.919 1.00 7.08 C ATOM 416 CZ PHE A 25 9.993 12.021 -5.283 1.00 7.50 C ATOM 0 H PHE A 25 15.106 14.006 -4.727 1.00 4.48 H new ATOM 0 HA PHE A 25 14.859 11.080 -4.344 1.00 4.32 H new ATOM 0 HB2 PHE A 25 14.408 12.618 -6.926 1.00 4.90 H new ATOM 0 HB3 PHE A 25 14.367 10.876 -6.740 1.00 4.90 H new ATOM 0 HD1 PHE A 25 12.631 9.949 -5.007 1.00 6.16 H new ATOM 0 HD2 PHE A 25 12.430 13.839 -6.727 1.00 6.16 H new ATOM 0 HE1 PHE A 25 10.242 10.067 -4.458 1.00 7.09 H new ATOM 0 HE2 PHE A 25 10.041 13.962 -6.174 1.00 7.08 H new ATOM 0 HZ PHE A 25 8.942 12.073 -5.042 1.00 7.50 H new ATOM 426 N ASP A 26 17.407 12.003 -4.430 1.00 3.49 N ATOM 427 CA ASP A 26 18.844 11.988 -4.673 1.00 3.48 C ATOM 428 C ASP A 26 19.288 10.618 -5.172 1.00 3.05 C ATOM 429 O ASP A 26 19.894 10.498 -6.238 1.00 3.62 O ATOM 430 CB ASP A 26 19.611 12.361 -3.396 1.00 4.39 C ATOM 431 CG ASP A 26 19.363 13.795 -2.965 1.00 5.09 C ATOM 432 OD1 ASP A 26 18.233 14.105 -2.535 1.00 5.62 O ATOM 433 OD2 ASP A 26 20.293 14.626 -3.071 1.00 5.48 O ATOM 0 H ASP A 26 17.149 12.108 -3.449 1.00 3.49 H new ATOM 0 HA ASP A 26 19.068 12.728 -5.442 1.00 3.48 H new ATOM 0 HB2 ASP A 26 19.318 11.687 -2.591 1.00 4.39 H new ATOM 0 HB3 ASP A 26 20.678 12.215 -3.562 1.00 4.39 H new ATOM 438 N THR A 27 18.983 9.584 -4.403 1.00 2.55 N ATOM 439 CA THR A 27 19.326 8.229 -4.794 1.00 2.52 C ATOM 440 C THR A 27 18.147 7.280 -4.571 1.00 1.71 C ATOM 441 O THR A 27 17.447 6.933 -5.521 1.00 2.29 O ATOM 442 CB THR A 27 20.564 7.724 -4.026 1.00 3.34 C ATOM 443 OG1 THR A 27 21.633 8.671 -4.153 1.00 3.84 O ATOM 444 CG2 THR A 27 21.023 6.376 -4.559 1.00 3.94 C ATOM 0 H THR A 27 18.500 9.659 -3.508 1.00 2.55 H new ATOM 0 HA THR A 27 19.564 8.246 -5.858 1.00 2.52 H new ATOM 0 HB THR A 27 20.290 7.610 -2.977 1.00 3.34 H new ATOM 0 HG1 THR A 27 22.417 8.347 -3.662 1.00 3.84 H new ATOM 0 HG21 THR A 27 21.897 6.042 -4.000 1.00 3.94 H new ATOM 0 HG22 THR A 27 20.220 5.647 -4.446 1.00 3.94 H new ATOM 0 HG23 THR A 27 21.281 6.470 -5.614 1.00 3.94 H new ATOM 452 N LEU A 28 17.925 6.892 -3.311 1.00 1.14 N ATOM 453 CA LEU A 28 16.846 5.964 -2.950 1.00 0.90 C ATOM 454 C LEU A 28 16.957 4.667 -3.752 1.00 0.71 C ATOM 455 O LEU A 28 16.119 4.378 -4.599 1.00 0.76 O ATOM 456 CB LEU A 28 15.474 6.609 -3.189 1.00 1.66 C ATOM 457 CG LEU A 28 15.253 7.963 -2.511 1.00 2.02 C ATOM 458 CD1 LEU A 28 13.888 8.521 -2.878 1.00 2.91 C ATOM 459 CD2 LEU A 28 15.386 7.839 -1.001 1.00 2.37 C ATOM 0 H LEU A 28 18.483 7.209 -2.518 1.00 1.14 H new ATOM 0 HA LEU A 28 16.945 5.730 -1.890 1.00 0.90 H new ATOM 0 HB2 LEU A 28 15.333 6.733 -4.263 1.00 1.66 H new ATOM 0 HB3 LEU A 28 14.703 5.920 -2.844 1.00 1.66 H new ATOM 0 HG LEU A 28 16.019 8.652 -2.866 1.00 2.02 H new ATOM 0 HD11 LEU A 28 13.745 9.484 -2.388 1.00 2.91 H new ATOM 0 HD12 LEU A 28 13.826 8.650 -3.959 1.00 2.91 H new ATOM 0 HD13 LEU A 28 13.112 7.829 -2.551 1.00 2.91 H new ATOM 0 HD21 LEU A 28 15.225 8.814 -0.540 1.00 2.37 H new ATOM 0 HD22 LEU A 28 14.644 7.134 -0.627 1.00 2.37 H new ATOM 0 HD23 LEU A 28 16.385 7.481 -0.752 1.00 2.37 H new ATOM 471 N SER A 29 17.984 3.883 -3.479 1.00 0.61 N ATOM 472 CA SER A 29 18.269 2.714 -4.296 1.00 0.49 C ATOM 473 C SER A 29 17.792 1.410 -3.642 1.00 0.44 C ATOM 474 O SER A 29 17.125 1.436 -2.605 1.00 0.53 O ATOM 475 CB SER A 29 19.762 2.653 -4.602 1.00 0.55 C ATOM 476 OG SER A 29 20.529 2.608 -3.409 1.00 1.35 O ATOM 0 H SER A 29 18.631 4.031 -2.705 1.00 0.61 H new ATOM 0 HA SER A 29 17.711 2.815 -5.227 1.00 0.49 H new ATOM 0 HB2 SER A 29 19.976 1.773 -5.208 1.00 0.55 H new ATOM 0 HB3 SER A 29 20.051 3.524 -5.191 1.00 0.55 H new ATOM 0 HG SER A 29 21.482 2.568 -3.634 1.00 1.35 H new ATOM 482 N LYS A 30 18.144 0.274 -4.249 1.00 0.38 N ATOM 483 CA LYS A 30 17.698 -1.038 -3.774 1.00 0.36 C ATOM 484 C LYS A 30 18.210 -1.316 -2.364 1.00 0.36 C ATOM 485 O LYS A 30 17.566 -2.027 -1.601 1.00 0.37 O ATOM 486 CB LYS A 30 18.190 -2.135 -4.724 1.00 0.39 C ATOM 487 CG LYS A 30 17.506 -3.486 -4.535 1.00 0.41 C ATOM 488 CD LYS A 30 18.291 -4.621 -5.190 1.00 0.50 C ATOM 489 CE LYS A 30 18.646 -4.331 -6.649 1.00 0.52 C ATOM 490 NZ LYS A 30 17.521 -4.601 -7.585 1.00 1.32 N ATOM 0 H LYS A 30 18.740 0.237 -5.076 1.00 0.38 H new ATOM 0 HA LYS A 30 16.608 -1.035 -3.751 1.00 0.36 H new ATOM 0 HB2 LYS A 30 18.037 -1.805 -5.751 1.00 0.39 H new ATOM 0 HB3 LYS A 30 19.264 -2.263 -4.587 1.00 0.39 H new ATOM 0 HG2 LYS A 30 17.394 -3.690 -3.470 1.00 0.41 H new ATOM 0 HG3 LYS A 30 16.503 -3.447 -4.959 1.00 0.41 H new ATOM 0 HD2 LYS A 30 19.207 -4.796 -4.626 1.00 0.50 H new ATOM 0 HD3 LYS A 30 17.705 -5.539 -5.139 1.00 0.50 H new ATOM 0 HE2 LYS A 30 18.948 -3.288 -6.743 1.00 0.52 H new ATOM 0 HE3 LYS A 30 19.504 -4.938 -6.936 1.00 0.52 H new ATOM 0 HZ1 LYS A 30 17.662 -4.061 -8.463 1.00 1.32 H new ATOM 0 HZ2 LYS A 30 17.489 -5.617 -7.805 1.00 1.32 H new ATOM 0 HZ3 LYS A 30 16.625 -4.314 -7.142 1.00 1.32 H new ATOM 504 N GLY A 31 19.361 -0.742 -2.027 1.00 0.39 N ATOM 505 CA GLY A 31 19.967 -0.973 -0.725 1.00 0.40 C ATOM 506 C GLY A 31 19.048 -0.622 0.429 1.00 0.38 C ATOM 507 O GLY A 31 18.894 -1.402 1.370 1.00 0.39 O ATOM 0 H GLY A 31 19.889 -0.117 -2.636 1.00 0.39 H new ATOM 0 HA2 GLY A 31 20.256 -2.021 -0.646 1.00 0.40 H new ATOM 0 HA3 GLY A 31 20.881 -0.384 -0.646 1.00 0.40 H new ATOM 511 N GLU A 32 18.424 0.545 0.346 1.00 0.44 N ATOM 512 CA GLU A 32 17.537 1.023 1.401 1.00 0.50 C ATOM 513 C GLU A 32 16.333 0.110 1.531 1.00 0.42 C ATOM 514 O GLU A 32 15.944 -0.286 2.633 1.00 0.44 O ATOM 515 CB GLU A 32 17.056 2.436 1.084 1.00 0.67 C ATOM 516 CG GLU A 32 18.170 3.384 0.667 1.00 0.96 C ATOM 517 CD GLU A 32 19.194 3.618 1.757 1.00 1.58 C ATOM 518 OE1 GLU A 32 20.189 2.864 1.818 1.00 2.10 O ATOM 519 OE2 GLU A 32 19.024 4.572 2.540 1.00 2.44 O ATOM 0 H GLU A 32 18.516 1.182 -0.445 1.00 0.44 H new ATOM 0 HA GLU A 32 18.093 1.027 2.339 1.00 0.50 H new ATOM 0 HB2 GLU A 32 16.315 2.387 0.286 1.00 0.67 H new ATOM 0 HB3 GLU A 32 16.553 2.844 1.961 1.00 0.67 H new ATOM 0 HG2 GLU A 32 18.671 2.980 -0.213 1.00 0.96 H new ATOM 0 HG3 GLU A 32 17.735 4.340 0.375 1.00 0.96 H new ATOM 526 N LEU A 33 15.756 -0.223 0.388 1.00 0.38 N ATOM 527 CA LEU A 33 14.582 -1.063 0.339 1.00 0.34 C ATOM 528 C LEU A 33 14.902 -2.449 0.855 1.00 0.29 C ATOM 529 O LEU A 33 14.134 -3.024 1.607 1.00 0.32 O ATOM 530 CB LEU A 33 14.059 -1.150 -1.088 1.00 0.34 C ATOM 531 CG LEU A 33 12.709 -1.849 -1.223 1.00 0.39 C ATOM 532 CD1 LEU A 33 11.646 -1.112 -0.424 1.00 0.52 C ATOM 533 CD2 LEU A 33 12.301 -1.957 -2.682 1.00 0.46 C ATOM 0 H LEU A 33 16.091 0.083 -0.526 1.00 0.38 H new ATOM 0 HA LEU A 33 13.814 -0.621 0.974 1.00 0.34 H new ATOM 0 HB2 LEU A 33 13.974 -0.142 -1.493 1.00 0.34 H new ATOM 0 HB3 LEU A 33 14.791 -1.679 -1.699 1.00 0.34 H new ATOM 0 HG LEU A 33 12.805 -2.858 -0.822 1.00 0.39 H new ATOM 0 HD11 LEU A 33 10.690 -1.624 -0.532 1.00 0.52 H new ATOM 0 HD12 LEU A 33 11.930 -1.092 0.628 1.00 0.52 H new ATOM 0 HD13 LEU A 33 11.555 -0.091 -0.795 1.00 0.52 H new ATOM 0 HD21 LEU A 33 11.336 -2.459 -2.754 1.00 0.46 H new ATOM 0 HD22 LEU A 33 12.224 -0.959 -3.113 1.00 0.46 H new ATOM 0 HD23 LEU A 33 13.050 -2.531 -3.228 1.00 0.46 H new ATOM 545 N LYS A 34 16.050 -2.967 0.455 1.00 0.29 N ATOM 546 CA LYS A 34 16.491 -4.288 0.868 1.00 0.31 C ATOM 547 C LYS A 34 16.516 -4.398 2.389 1.00 0.35 C ATOM 548 O LYS A 34 16.020 -5.371 2.959 1.00 0.41 O ATOM 549 CB LYS A 34 17.875 -4.574 0.284 1.00 0.34 C ATOM 550 CG LYS A 34 18.514 -5.851 0.804 1.00 0.53 C ATOM 551 CD LYS A 34 19.943 -6.002 0.315 1.00 0.85 C ATOM 552 CE LYS A 34 20.561 -7.296 0.819 1.00 1.30 C ATOM 553 NZ LYS A 34 22.001 -7.397 0.468 1.00 1.87 N ATOM 0 H LYS A 34 16.702 -2.485 -0.164 1.00 0.29 H new ATOM 0 HA LYS A 34 15.787 -5.029 0.491 1.00 0.31 H new ATOM 0 HB2 LYS A 34 17.794 -4.636 -0.801 1.00 0.34 H new ATOM 0 HB3 LYS A 34 18.533 -3.734 0.507 1.00 0.34 H new ATOM 0 HG2 LYS A 34 18.501 -5.847 1.894 1.00 0.53 H new ATOM 0 HG3 LYS A 34 17.926 -6.710 0.481 1.00 0.53 H new ATOM 0 HD2 LYS A 34 19.961 -5.987 -0.775 1.00 0.85 H new ATOM 0 HD3 LYS A 34 20.538 -5.155 0.655 1.00 0.85 H new ATOM 0 HE2 LYS A 34 20.446 -7.355 1.901 1.00 1.30 H new ATOM 0 HE3 LYS A 34 20.024 -8.144 0.395 1.00 1.30 H new ATOM 0 HZ1 LYS A 34 22.384 -8.294 0.830 1.00 1.87 H new ATOM 0 HZ2 LYS A 34 22.109 -7.366 -0.566 1.00 1.87 H new ATOM 0 HZ3 LYS A 34 22.519 -6.602 0.894 1.00 1.87 H new ATOM 567 N GLN A 35 17.085 -3.392 3.042 1.00 0.35 N ATOM 568 CA GLN A 35 17.094 -3.337 4.497 1.00 0.43 C ATOM 569 C GLN A 35 15.676 -3.326 5.038 1.00 0.43 C ATOM 570 O GLN A 35 15.300 -4.219 5.790 1.00 0.50 O ATOM 571 CB GLN A 35 17.868 -2.113 4.984 1.00 0.50 C ATOM 572 CG GLN A 35 19.300 -2.426 5.393 1.00 1.07 C ATOM 573 CD GLN A 35 20.092 -3.137 4.311 1.00 1.68 C ATOM 574 OE1 GLN A 35 20.112 -4.367 4.246 1.00 2.46 O ATOM 575 NE2 GLN A 35 20.748 -2.371 3.454 1.00 2.07 N ATOM 0 H GLN A 35 17.546 -2.604 2.587 1.00 0.35 H new ATOM 0 HA GLN A 35 17.596 -4.229 4.872 1.00 0.43 H new ATOM 0 HB2 GLN A 35 17.880 -1.362 4.194 1.00 0.50 H new ATOM 0 HB3 GLN A 35 17.343 -1.675 5.833 1.00 0.50 H new ATOM 0 HG2 GLN A 35 19.807 -1.497 5.654 1.00 1.07 H new ATOM 0 HG3 GLN A 35 19.287 -3.045 6.290 1.00 1.07 H new ATOM 0 HE21 GLN A 35 20.706 -1.356 3.542 1.00 2.07 H new ATOM 0 HE22 GLN A 35 21.296 -2.796 2.706 1.00 2.07 H new ATOM 584 N LEU A 36 14.887 -2.341 4.615 1.00 0.38 N ATOM 585 CA LEU A 36 13.511 -2.196 5.068 1.00 0.39 C ATOM 586 C LEU A 36 12.747 -3.507 4.899 1.00 0.38 C ATOM 587 O LEU A 36 12.071 -3.961 5.799 1.00 0.45 O ATOM 588 CB LEU A 36 12.834 -1.072 4.276 1.00 0.36 C ATOM 589 CG LEU A 36 11.439 -0.650 4.751 1.00 0.40 C ATOM 590 CD1 LEU A 36 11.167 0.784 4.333 1.00 0.45 C ATOM 591 CD2 LEU A 36 10.365 -1.566 4.180 1.00 0.40 C ATOM 0 H LEU A 36 15.184 -1.625 3.952 1.00 0.38 H new ATOM 0 HA LEU A 36 13.508 -1.942 6.128 1.00 0.39 H new ATOM 0 HB2 LEU A 36 13.483 -0.197 4.302 1.00 0.36 H new ATOM 0 HB3 LEU A 36 12.761 -1.384 3.234 1.00 0.36 H new ATOM 0 HG LEU A 36 11.410 -0.727 5.838 1.00 0.40 H new ATOM 0 HD11 LEU A 36 10.174 1.080 4.673 1.00 0.45 H new ATOM 0 HD12 LEU A 36 11.914 1.441 4.779 1.00 0.45 H new ATOM 0 HD13 LEU A 36 11.217 0.862 3.247 1.00 0.45 H new ATOM 0 HD21 LEU A 36 9.386 -1.243 4.534 1.00 0.40 H new ATOM 0 HD22 LEU A 36 10.390 -1.522 3.091 1.00 0.40 H new ATOM 0 HD23 LEU A 36 10.549 -2.590 4.506 1.00 0.40 H new ATOM 603 N LEU A 37 12.884 -4.122 3.748 1.00 0.34 N ATOM 604 CA LEU A 37 12.150 -5.333 3.435 1.00 0.35 C ATOM 605 C LEU A 37 12.557 -6.496 4.328 1.00 0.41 C ATOM 606 O LEU A 37 11.705 -7.170 4.907 1.00 0.45 O ATOM 607 CB LEU A 37 12.373 -5.694 1.974 1.00 0.34 C ATOM 608 CG LEU A 37 11.807 -4.687 0.977 1.00 0.30 C ATOM 609 CD1 LEU A 37 12.188 -5.061 -0.442 1.00 0.38 C ATOM 610 CD2 LEU A 37 10.299 -4.591 1.128 1.00 0.32 C ATOM 0 H LEU A 37 13.503 -3.802 3.003 1.00 0.34 H new ATOM 0 HA LEU A 37 11.092 -5.142 3.616 1.00 0.35 H new ATOM 0 HB2 LEU A 37 13.444 -5.797 1.798 1.00 0.34 H new ATOM 0 HB3 LEU A 37 11.923 -6.668 1.781 1.00 0.34 H new ATOM 0 HG LEU A 37 12.237 -3.708 1.190 1.00 0.30 H new ATOM 0 HD11 LEU A 37 11.773 -4.329 -1.135 1.00 0.38 H new ATOM 0 HD12 LEU A 37 13.274 -5.075 -0.536 1.00 0.38 H new ATOM 0 HD13 LEU A 37 11.791 -6.049 -0.677 1.00 0.38 H new ATOM 0 HD21 LEU A 37 9.907 -3.869 0.411 1.00 0.32 H new ATOM 0 HD22 LEU A 37 9.852 -5.567 0.942 1.00 0.32 H new ATOM 0 HD23 LEU A 37 10.055 -4.267 2.140 1.00 0.32 H new ATOM 622 N THR A 38 13.856 -6.715 4.456 1.00 0.45 N ATOM 623 CA THR A 38 14.365 -7.855 5.197 1.00 0.53 C ATOM 624 C THR A 38 14.057 -7.746 6.688 1.00 0.59 C ATOM 625 O THR A 38 13.890 -8.756 7.373 1.00 0.66 O ATOM 626 CB THR A 38 15.886 -8.015 4.998 1.00 0.55 C ATOM 627 OG1 THR A 38 16.549 -6.767 5.234 1.00 1.23 O ATOM 628 CG2 THR A 38 16.202 -8.495 3.592 1.00 1.03 C ATOM 0 H THR A 38 14.578 -6.116 4.055 1.00 0.45 H new ATOM 0 HA THR A 38 13.858 -8.735 4.802 1.00 0.53 H new ATOM 0 HB THR A 38 16.242 -8.758 5.711 1.00 0.55 H new ATOM 0 HG1 THR A 38 16.490 -6.208 4.431 1.00 1.23 H new ATOM 0 HG21 THR A 38 17.281 -8.600 3.477 1.00 1.03 H new ATOM 0 HG22 THR A 38 15.723 -9.459 3.421 1.00 1.03 H new ATOM 0 HG23 THR A 38 15.829 -7.771 2.868 1.00 1.03 H new ATOM 636 N LYS A 39 13.996 -6.525 7.196 1.00 0.58 N ATOM 637 CA LYS A 39 13.766 -6.321 8.616 1.00 0.66 C ATOM 638 C LYS A 39 12.299 -6.031 8.947 1.00 0.64 C ATOM 639 O LYS A 39 11.812 -6.431 10.004 1.00 0.72 O ATOM 640 CB LYS A 39 14.669 -5.211 9.155 1.00 0.72 C ATOM 641 CG LYS A 39 14.409 -3.851 8.538 1.00 0.68 C ATOM 642 CD LYS A 39 15.628 -2.931 8.602 1.00 0.73 C ATOM 643 CE LYS A 39 15.981 -2.519 10.030 1.00 0.87 C ATOM 644 NZ LYS A 39 16.655 -3.604 10.798 1.00 1.61 N ATOM 0 H LYS A 39 14.101 -5.669 6.652 1.00 0.58 H new ATOM 0 HA LYS A 39 14.019 -7.259 9.111 1.00 0.66 H new ATOM 0 HB2 LYS A 39 14.536 -5.140 10.235 1.00 0.72 H new ATOM 0 HB3 LYS A 39 15.709 -5.485 8.979 1.00 0.72 H new ATOM 0 HG2 LYS A 39 14.110 -3.980 7.498 1.00 0.68 H new ATOM 0 HG3 LYS A 39 13.574 -3.377 9.053 1.00 0.68 H new ATOM 0 HD2 LYS A 39 16.483 -3.436 8.152 1.00 0.73 H new ATOM 0 HD3 LYS A 39 15.436 -2.038 8.007 1.00 0.73 H new ATOM 0 HE2 LYS A 39 16.631 -1.645 10.000 1.00 0.87 H new ATOM 0 HE3 LYS A 39 15.071 -2.222 10.552 1.00 0.87 H new ATOM 0 HZ1 LYS A 39 16.000 -3.982 11.512 1.00 1.61 H new ATOM 0 HZ2 LYS A 39 16.936 -4.366 10.148 1.00 1.61 H new ATOM 0 HZ3 LYS A 39 17.499 -3.222 11.270 1.00 1.61 H new ATOM 658 N GLU A 40 11.592 -5.355 8.046 1.00 0.57 N ATOM 659 CA GLU A 40 10.254 -4.854 8.357 1.00 0.58 C ATOM 660 C GLU A 40 9.171 -5.779 7.817 1.00 0.56 C ATOM 661 O GLU A 40 8.099 -5.903 8.413 1.00 0.64 O ATOM 662 CB GLU A 40 10.056 -3.440 7.788 1.00 0.58 C ATOM 663 CG GLU A 40 11.103 -2.432 8.240 1.00 0.87 C ATOM 664 CD GLU A 40 11.197 -2.288 9.746 1.00 1.14 C ATOM 665 OE1 GLU A 40 11.653 -3.238 10.410 1.00 1.63 O ATOM 666 OE2 GLU A 40 10.828 -1.218 10.270 1.00 1.67 O ATOM 0 H GLU A 40 11.918 -5.142 7.103 1.00 0.57 H new ATOM 0 HA GLU A 40 10.167 -4.819 9.443 1.00 0.58 H new ATOM 0 HB2 GLU A 40 10.066 -3.494 6.699 1.00 0.58 H new ATOM 0 HB3 GLU A 40 9.070 -3.078 8.080 1.00 0.58 H new ATOM 0 HG2 GLU A 40 12.076 -2.732 7.851 1.00 0.87 H new ATOM 0 HG3 GLU A 40 10.871 -1.460 7.804 1.00 0.87 H new ATOM 673 N LEU A 41 9.445 -6.421 6.691 1.00 0.50 N ATOM 674 CA LEU A 41 8.453 -7.269 6.036 1.00 0.49 C ATOM 675 C LEU A 41 8.976 -8.694 5.936 1.00 0.52 C ATOM 676 O LEU A 41 8.568 -9.465 5.060 1.00 0.53 O ATOM 677 CB LEU A 41 8.129 -6.729 4.637 1.00 0.43 C ATOM 678 CG LEU A 41 7.897 -5.216 4.551 1.00 0.51 C ATOM 679 CD1 LEU A 41 7.491 -4.816 3.144 1.00 1.22 C ATOM 680 CD2 LEU A 41 6.846 -4.768 5.552 1.00 1.42 C ATOM 0 H LEU A 41 10.343 -6.373 6.211 1.00 0.50 H new ATOM 0 HA LEU A 41 7.540 -7.264 6.631 1.00 0.49 H new ATOM 0 HB2 LEU A 41 8.947 -6.992 3.967 1.00 0.43 H new ATOM 0 HB3 LEU A 41 7.238 -7.237 4.268 1.00 0.43 H new ATOM 0 HG LEU A 41 8.835 -4.719 4.797 1.00 0.51 H new ATOM 0 HD11 LEU A 41 7.331 -3.739 3.104 1.00 1.22 H new ATOM 0 HD12 LEU A 41 8.281 -5.092 2.445 1.00 1.22 H new ATOM 0 HD13 LEU A 41 6.569 -5.330 2.871 1.00 1.22 H new ATOM 0 HD21 LEU A 41 6.701 -3.691 5.470 1.00 1.42 H new ATOM 0 HD22 LEU A 41 5.905 -5.278 5.344 1.00 1.42 H new ATOM 0 HD23 LEU A 41 7.177 -5.014 6.561 1.00 1.42 H new ATOM 692 N ALA A 42 9.879 -9.023 6.855 1.00 0.58 N ATOM 693 CA ALA A 42 10.578 -10.310 6.872 1.00 0.64 C ATOM 694 C ALA A 42 9.640 -11.509 6.750 1.00 0.71 C ATOM 695 O ALA A 42 9.936 -12.461 6.026 1.00 0.78 O ATOM 696 CB ALA A 42 11.398 -10.436 8.142 1.00 0.71 C ATOM 0 H ALA A 42 10.150 -8.401 7.616 1.00 0.58 H new ATOM 0 HA ALA A 42 11.226 -10.322 5.995 1.00 0.64 H new ATOM 0 HB1 ALA A 42 11.915 -11.396 8.148 1.00 0.71 H new ATOM 0 HB2 ALA A 42 12.130 -9.629 8.184 1.00 0.71 H new ATOM 0 HB3 ALA A 42 10.739 -10.374 9.008 1.00 0.71 H new ATOM 702 N ASN A 43 8.520 -11.468 7.453 1.00 0.74 N ATOM 703 CA ASN A 43 7.628 -12.620 7.508 1.00 0.83 C ATOM 704 C ASN A 43 6.374 -12.396 6.663 1.00 0.83 C ATOM 705 O ASN A 43 5.405 -13.150 6.759 1.00 1.07 O ATOM 706 CB ASN A 43 7.240 -12.919 8.960 1.00 0.99 C ATOM 707 CG ASN A 43 6.655 -14.312 9.148 1.00 1.28 C ATOM 708 OD1 ASN A 43 7.149 -15.278 8.389 1.00 1.56 O flip ATOM 709 ND2 ASN A 43 5.781 -14.523 9.985 1.00 2.16 N flip ATOM 0 H ASN A 43 8.207 -10.659 7.990 1.00 0.74 H new ATOM 0 HA ASN A 43 8.161 -13.477 7.096 1.00 0.83 H new ATOM 0 HB2 ASN A 43 8.120 -12.813 9.594 1.00 0.99 H new ATOM 0 HB3 ASN A 43 6.514 -12.178 9.296 1.00 0.99 H new ATOM 0 HD21 ASN A 43 5.423 -13.755 10.553 1.00 2.16 H new ATOM 0 HD22 ASN A 43 5.413 -15.466 10.112 1.00 2.16 H new ATOM 716 N THR A 44 6.399 -11.385 5.811 1.00 0.65 N ATOM 717 CA THR A 44 5.234 -11.064 5.008 1.00 0.61 C ATOM 718 C THR A 44 5.433 -11.548 3.583 1.00 0.59 C ATOM 719 O THR A 44 4.669 -12.366 3.069 1.00 0.66 O ATOM 720 CB THR A 44 4.969 -9.549 4.988 1.00 0.56 C ATOM 721 OG1 THR A 44 5.082 -9.019 6.313 1.00 0.65 O ATOM 722 CG2 THR A 44 3.580 -9.255 4.440 1.00 0.53 C ATOM 0 H THR A 44 7.205 -10.779 5.659 1.00 0.65 H new ATOM 0 HA THR A 44 4.376 -11.565 5.456 1.00 0.61 H new ATOM 0 HB THR A 44 5.709 -9.078 4.341 1.00 0.56 H new ATOM 0 HG1 THR A 44 4.769 -9.685 6.960 1.00 0.65 H new ATOM 0 HG21 THR A 44 3.412 -8.178 4.434 1.00 0.53 H new ATOM 0 HG22 THR A 44 3.501 -9.640 3.423 1.00 0.53 H new ATOM 0 HG23 THR A 44 2.831 -9.736 5.070 1.00 0.53 H new ATOM 730 N ILE A 45 6.486 -11.051 2.970 1.00 0.52 N ATOM 731 CA ILE A 45 6.797 -11.368 1.594 1.00 0.52 C ATOM 732 C ILE A 45 7.611 -12.656 1.528 1.00 0.59 C ATOM 733 O ILE A 45 8.488 -12.878 2.367 1.00 0.60 O ATOM 734 CB ILE A 45 7.580 -10.209 0.954 1.00 0.43 C ATOM 735 CG1 ILE A 45 6.798 -8.891 1.084 1.00 0.39 C ATOM 736 CG2 ILE A 45 7.881 -10.515 -0.506 1.00 0.47 C ATOM 737 CD1 ILE A 45 7.507 -7.701 0.474 1.00 0.36 C ATOM 0 H ILE A 45 7.150 -10.416 3.412 1.00 0.52 H new ATOM 0 HA ILE A 45 5.868 -11.512 1.042 1.00 0.52 H new ATOM 0 HB ILE A 45 8.526 -10.096 1.484 1.00 0.43 H new ATOM 0 HG12 ILE A 45 5.825 -9.007 0.606 1.00 0.39 H new ATOM 0 HG13 ILE A 45 6.613 -8.691 2.139 1.00 0.39 H new ATOM 0 HG21 ILE A 45 8.435 -9.685 -0.945 1.00 0.47 H new ATOM 0 HG22 ILE A 45 8.477 -11.425 -0.572 1.00 0.47 H new ATOM 0 HG23 ILE A 45 6.946 -10.654 -1.049 1.00 0.47 H new ATOM 0 HD11 ILE A 45 6.896 -6.808 0.604 1.00 0.36 H new ATOM 0 HD12 ILE A 45 8.468 -7.558 0.968 1.00 0.36 H new ATOM 0 HD13 ILE A 45 7.668 -7.879 -0.589 1.00 0.36 H new ATOM 749 N LYS A 46 7.294 -13.520 0.558 1.00 0.67 N ATOM 750 CA LYS A 46 7.989 -14.796 0.420 1.00 0.73 C ATOM 751 C LYS A 46 9.484 -14.564 0.246 1.00 0.68 C ATOM 752 O LYS A 46 9.899 -13.809 -0.632 1.00 0.63 O ATOM 753 CB LYS A 46 7.408 -15.617 -0.759 1.00 0.82 C ATOM 754 CG LYS A 46 8.017 -15.339 -2.135 1.00 0.79 C ATOM 755 CD LYS A 46 9.253 -16.200 -2.388 1.00 0.75 C ATOM 756 CE LYS A 46 9.789 -16.020 -3.798 1.00 0.88 C ATOM 757 NZ LYS A 46 8.927 -16.679 -4.811 1.00 1.61 N ATOM 0 H LYS A 46 6.565 -13.357 -0.137 1.00 0.67 H new ATOM 0 HA LYS A 46 7.837 -15.376 1.330 1.00 0.73 H new ATOM 0 HB2 LYS A 46 7.534 -16.676 -0.535 1.00 0.82 H new ATOM 0 HB3 LYS A 46 6.336 -15.428 -0.813 1.00 0.82 H new ATOM 0 HG2 LYS A 46 7.274 -15.533 -2.908 1.00 0.79 H new ATOM 0 HG3 LYS A 46 8.286 -14.285 -2.208 1.00 0.79 H new ATOM 0 HD2 LYS A 46 10.030 -15.941 -1.668 1.00 0.75 H new ATOM 0 HD3 LYS A 46 9.005 -17.249 -2.225 1.00 0.75 H new ATOM 0 HE2 LYS A 46 9.865 -14.956 -4.024 1.00 0.88 H new ATOM 0 HE3 LYS A 46 10.797 -16.431 -3.858 1.00 0.88 H new ATOM 0 HZ1 LYS A 46 9.459 -17.442 -5.276 1.00 1.61 H new ATOM 0 HZ2 LYS A 46 8.086 -17.077 -4.346 1.00 1.61 H new ATOM 0 HZ3 LYS A 46 8.631 -15.980 -5.522 1.00 1.61 H new ATOM 771 N ASN A 47 10.271 -15.185 1.122 1.00 0.71 N ATOM 772 CA ASN A 47 11.731 -15.119 1.055 1.00 0.67 C ATOM 773 C ASN A 47 12.225 -13.702 0.819 1.00 0.59 C ATOM 774 O ASN A 47 13.126 -13.484 0.017 1.00 0.57 O ATOM 775 CB ASN A 47 12.271 -16.021 -0.052 1.00 0.69 C ATOM 776 CG ASN A 47 12.243 -17.493 0.301 1.00 0.92 C ATOM 777 OD1 ASN A 47 11.214 -18.159 0.172 1.00 1.48 O ATOM 778 ND2 ASN A 47 13.384 -18.022 0.703 1.00 1.24 N ATOM 0 H ASN A 47 9.917 -15.747 1.896 1.00 0.71 H new ATOM 0 HA ASN A 47 12.100 -15.463 2.021 1.00 0.67 H new ATOM 0 HB2 ASN A 47 11.686 -15.861 -0.958 1.00 0.69 H new ATOM 0 HB3 ASN A 47 13.296 -15.729 -0.280 1.00 0.69 H new ATOM 0 HD21 ASN A 47 13.436 -19.017 0.920 1.00 1.24 H new ATOM 0 HD22 ASN A 47 14.213 -17.435 0.797 1.00 1.24 H new ATOM 785 N ILE A 48 11.647 -12.741 1.526 1.00 0.55 N ATOM 786 CA ILE A 48 12.034 -11.341 1.368 1.00 0.48 C ATOM 787 C ILE A 48 13.487 -11.133 1.798 1.00 0.48 C ATOM 788 O ILE A 48 14.066 -10.062 1.640 1.00 0.43 O ATOM 789 CB ILE A 48 11.115 -10.414 2.184 1.00 0.46 C ATOM 790 CG1 ILE A 48 11.293 -8.957 1.755 1.00 0.40 C ATOM 791 CG2 ILE A 48 11.391 -10.565 3.668 1.00 0.52 C ATOM 792 CD1 ILE A 48 11.069 -8.729 0.276 1.00 0.38 C ATOM 0 H ILE A 48 10.910 -12.901 2.213 1.00 0.55 H new ATOM 0 HA ILE A 48 11.933 -11.088 0.313 1.00 0.48 H new ATOM 0 HB ILE A 48 10.082 -10.704 1.991 1.00 0.46 H new ATOM 0 HG12 ILE A 48 10.599 -8.334 2.319 1.00 0.40 H new ATOM 0 HG13 ILE A 48 12.300 -8.631 2.016 1.00 0.40 H new ATOM 0 HG21 ILE A 48 10.733 -9.902 4.230 1.00 0.52 H new ATOM 0 HG22 ILE A 48 11.210 -11.597 3.969 1.00 0.52 H new ATOM 0 HG23 ILE A 48 12.429 -10.304 3.873 1.00 0.52 H new ATOM 0 HD11 ILE A 48 11.212 -7.673 0.045 1.00 0.38 H new ATOM 0 HD12 ILE A 48 11.780 -9.325 -0.296 1.00 0.38 H new ATOM 0 HD13 ILE A 48 10.053 -9.024 0.012 1.00 0.38 H new ATOM 804 N LYS A 49 14.062 -12.187 2.341 1.00 0.56 N ATOM 805 CA LYS A 49 15.442 -12.183 2.779 1.00 0.57 C ATOM 806 C LYS A 49 16.359 -12.483 1.605 1.00 0.55 C ATOM 807 O LYS A 49 17.581 -12.339 1.689 1.00 0.56 O ATOM 808 CB LYS A 49 15.620 -13.229 3.866 1.00 0.65 C ATOM 809 CG LYS A 49 14.599 -13.096 4.988 1.00 0.73 C ATOM 810 CD LYS A 49 14.647 -11.726 5.659 1.00 0.72 C ATOM 811 CE LYS A 49 15.560 -11.703 6.880 1.00 0.82 C ATOM 812 NZ LYS A 49 16.971 -12.044 6.552 1.00 1.11 N ATOM 0 H LYS A 49 13.582 -13.074 2.491 1.00 0.56 H new ATOM 0 HA LYS A 49 15.699 -11.201 3.176 1.00 0.57 H new ATOM 0 HB2 LYS A 49 15.540 -14.222 3.424 1.00 0.65 H new ATOM 0 HB3 LYS A 49 16.624 -13.146 4.283 1.00 0.65 H new ATOM 0 HG2 LYS A 49 13.599 -13.267 4.588 1.00 0.73 H new ATOM 0 HG3 LYS A 49 14.780 -13.870 5.734 1.00 0.73 H new ATOM 0 HD2 LYS A 49 14.991 -10.984 4.938 1.00 0.72 H new ATOM 0 HD3 LYS A 49 13.640 -11.436 5.958 1.00 0.72 H new ATOM 0 HE2 LYS A 49 15.527 -10.713 7.334 1.00 0.82 H new ATOM 0 HE3 LYS A 49 15.184 -12.407 7.622 1.00 0.82 H new ATOM 0 HZ1 LYS A 49 17.587 -11.771 7.344 1.00 1.11 H new ATOM 0 HZ2 LYS A 49 17.051 -13.068 6.387 1.00 1.11 H new ATOM 0 HZ3 LYS A 49 17.262 -11.531 5.695 1.00 1.11 H new ATOM 826 N ASP A 50 15.751 -12.901 0.510 1.00 0.55 N ATOM 827 CA ASP A 50 16.477 -13.232 -0.698 1.00 0.56 C ATOM 828 C ASP A 50 16.590 -12.027 -1.599 1.00 0.50 C ATOM 829 O ASP A 50 15.598 -11.378 -1.920 1.00 0.47 O ATOM 830 CB ASP A 50 15.789 -14.377 -1.437 1.00 0.62 C ATOM 831 CG ASP A 50 16.225 -15.736 -0.934 1.00 0.97 C ATOM 832 OD1 ASP A 50 17.278 -16.225 -1.389 1.00 1.58 O ATOM 833 OD2 ASP A 50 15.521 -16.327 -0.089 1.00 1.57 O ATOM 0 H ASP A 50 14.741 -13.020 0.435 1.00 0.55 H new ATOM 0 HA ASP A 50 17.481 -13.549 -0.416 1.00 0.56 H new ATOM 0 HB2 ASP A 50 14.709 -14.281 -1.325 1.00 0.62 H new ATOM 0 HB3 ASP A 50 16.007 -14.300 -2.502 1.00 0.62 H new ATOM 838 N LYS A 51 17.812 -11.734 -2.009 1.00 0.50 N ATOM 839 CA LYS A 51 18.074 -10.594 -2.864 1.00 0.48 C ATOM 840 C LYS A 51 17.470 -10.812 -4.238 1.00 0.50 C ATOM 841 O LYS A 51 17.198 -9.859 -4.955 1.00 0.48 O ATOM 842 CB LYS A 51 19.567 -10.358 -3.001 1.00 0.53 C ATOM 843 CG LYS A 51 20.014 -8.963 -2.588 1.00 0.83 C ATOM 844 CD LYS A 51 19.367 -7.874 -3.437 1.00 0.60 C ATOM 845 CE LYS A 51 19.845 -7.915 -4.883 1.00 0.83 C ATOM 846 NZ LYS A 51 21.318 -7.727 -5.000 1.00 0.92 N ATOM 0 H LYS A 51 18.641 -12.274 -1.761 1.00 0.50 H new ATOM 0 HA LYS A 51 17.616 -9.718 -2.405 1.00 0.48 H new ATOM 0 HB2 LYS A 51 20.098 -11.093 -2.395 1.00 0.53 H new ATOM 0 HB3 LYS A 51 19.858 -10.530 -4.037 1.00 0.53 H new ATOM 0 HG2 LYS A 51 19.765 -8.799 -1.540 1.00 0.83 H new ATOM 0 HG3 LYS A 51 21.098 -8.891 -2.673 1.00 0.83 H new ATOM 0 HD2 LYS A 51 18.284 -7.990 -3.410 1.00 0.60 H new ATOM 0 HD3 LYS A 51 19.594 -6.898 -3.008 1.00 0.60 H new ATOM 0 HE2 LYS A 51 19.567 -8.871 -5.328 1.00 0.83 H new ATOM 0 HE3 LYS A 51 19.336 -7.138 -5.453 1.00 0.83 H new ATOM 0 HZ1 LYS A 51 21.565 -7.526 -5.990 1.00 0.92 H new ATOM 0 HZ2 LYS A 51 21.615 -6.931 -4.401 1.00 0.92 H new ATOM 0 HZ3 LYS A 51 21.804 -8.593 -4.691 1.00 0.92 H new ATOM 860 N ALA A 52 17.273 -12.072 -4.601 1.00 0.55 N ATOM 861 CA ALA A 52 16.608 -12.404 -5.848 1.00 0.60 C ATOM 862 C ALA A 52 15.147 -12.013 -5.751 1.00 0.58 C ATOM 863 O ALA A 52 14.545 -11.542 -6.710 1.00 0.60 O ATOM 864 CB ALA A 52 16.740 -13.886 -6.147 1.00 0.67 C ATOM 0 H ALA A 52 17.565 -12.878 -4.049 1.00 0.55 H new ATOM 0 HA ALA A 52 17.078 -11.854 -6.663 1.00 0.60 H new ATOM 0 HB1 ALA A 52 16.235 -14.114 -7.086 1.00 0.67 H new ATOM 0 HB2 ALA A 52 17.795 -14.148 -6.229 1.00 0.67 H new ATOM 0 HB3 ALA A 52 16.285 -14.462 -5.341 1.00 0.67 H new ATOM 870 N VAL A 53 14.611 -12.176 -4.553 1.00 0.54 N ATOM 871 CA VAL A 53 13.230 -11.821 -4.266 1.00 0.53 C ATOM 872 C VAL A 53 13.103 -10.309 -4.192 1.00 0.47 C ATOM 873 O VAL A 53 12.209 -9.708 -4.789 1.00 0.48 O ATOM 874 CB VAL A 53 12.767 -12.454 -2.935 1.00 0.53 C ATOM 875 CG1 VAL A 53 11.499 -11.798 -2.410 1.00 0.51 C ATOM 876 CG2 VAL A 53 12.545 -13.945 -3.108 1.00 0.60 C ATOM 0 H VAL A 53 15.118 -12.557 -3.754 1.00 0.54 H new ATOM 0 HA VAL A 53 12.595 -12.204 -5.065 1.00 0.53 H new ATOM 0 HB VAL A 53 13.557 -12.289 -2.203 1.00 0.53 H new ATOM 0 HG11 VAL A 53 11.206 -12.271 -1.473 1.00 0.51 H new ATOM 0 HG12 VAL A 53 11.682 -10.737 -2.239 1.00 0.51 H new ATOM 0 HG13 VAL A 53 10.699 -11.915 -3.141 1.00 0.51 H new ATOM 0 HG21 VAL A 53 12.219 -14.377 -2.162 1.00 0.60 H new ATOM 0 HG22 VAL A 53 11.780 -14.113 -3.866 1.00 0.60 H new ATOM 0 HG23 VAL A 53 13.476 -14.418 -3.421 1.00 0.60 H new ATOM 886 N ILE A 54 14.033 -9.708 -3.472 1.00 0.42 N ATOM 887 CA ILE A 54 14.083 -8.265 -3.328 1.00 0.36 C ATOM 888 C ILE A 54 14.265 -7.581 -4.667 1.00 0.38 C ATOM 889 O ILE A 54 13.649 -6.557 -4.939 1.00 0.38 O ATOM 890 CB ILE A 54 15.224 -7.864 -2.399 1.00 0.35 C ATOM 891 CG1 ILE A 54 14.918 -8.399 -1.009 1.00 0.37 C ATOM 892 CG2 ILE A 54 15.424 -6.349 -2.385 1.00 0.32 C ATOM 893 CD1 ILE A 54 15.903 -7.963 0.039 1.00 0.38 C ATOM 0 H ILE A 54 14.771 -10.204 -2.973 1.00 0.42 H new ATOM 0 HA ILE A 54 13.132 -7.946 -2.901 1.00 0.36 H new ATOM 0 HB ILE A 54 16.159 -8.294 -2.758 1.00 0.35 H new ATOM 0 HG12 ILE A 54 13.921 -8.072 -0.715 1.00 0.37 H new ATOM 0 HG13 ILE A 54 14.898 -9.488 -1.045 1.00 0.37 H new ATOM 0 HG21 ILE A 54 16.244 -6.097 -1.713 1.00 0.32 H new ATOM 0 HG22 ILE A 54 15.660 -6.004 -3.392 1.00 0.32 H new ATOM 0 HG23 ILE A 54 14.511 -5.865 -2.040 1.00 0.32 H new ATOM 0 HD11 ILE A 54 15.618 -8.384 1.003 1.00 0.38 H new ATOM 0 HD12 ILE A 54 16.899 -8.313 -0.230 1.00 0.38 H new ATOM 0 HD13 ILE A 54 15.906 -6.875 0.105 1.00 0.38 H new ATOM 905 N ASP A 55 15.117 -8.153 -5.497 1.00 0.43 N ATOM 906 CA ASP A 55 15.368 -7.611 -6.817 1.00 0.47 C ATOM 907 C ASP A 55 14.110 -7.672 -7.633 1.00 0.48 C ATOM 908 O ASP A 55 13.681 -6.676 -8.178 1.00 0.49 O ATOM 909 CB ASP A 55 16.468 -8.389 -7.518 1.00 0.55 C ATOM 910 CG ASP A 55 16.721 -7.899 -8.926 1.00 0.86 C ATOM 911 OD1 ASP A 55 17.467 -6.906 -9.074 1.00 1.44 O ATOM 912 OD2 ASP A 55 16.186 -8.497 -9.880 1.00 1.53 O ATOM 0 H ASP A 55 15.648 -8.996 -5.278 1.00 0.43 H new ATOM 0 HA ASP A 55 15.689 -6.575 -6.712 1.00 0.47 H new ATOM 0 HB2 ASP A 55 17.388 -8.311 -6.939 1.00 0.55 H new ATOM 0 HB3 ASP A 55 16.199 -9.445 -7.548 1.00 0.55 H new ATOM 917 N GLU A 56 13.518 -8.847 -7.677 1.00 0.51 N ATOM 918 CA GLU A 56 12.266 -9.060 -8.377 1.00 0.54 C ATOM 919 C GLU A 56 11.237 -7.980 -8.029 1.00 0.47 C ATOM 920 O GLU A 56 10.590 -7.413 -8.914 1.00 0.49 O ATOM 921 CB GLU A 56 11.736 -10.439 -8.010 1.00 0.58 C ATOM 922 CG GLU A 56 12.352 -11.570 -8.817 1.00 0.69 C ATOM 923 CD GLU A 56 12.194 -11.373 -10.309 1.00 1.06 C ATOM 924 OE1 GLU A 56 11.085 -11.608 -10.832 1.00 1.77 O ATOM 925 OE2 GLU A 56 13.181 -10.980 -10.965 1.00 1.66 O ATOM 0 H GLU A 56 13.891 -9.684 -7.228 1.00 0.51 H new ATOM 0 HA GLU A 56 12.443 -8.999 -9.451 1.00 0.54 H new ATOM 0 HB2 GLU A 56 11.921 -10.619 -6.951 1.00 0.58 H new ATOM 0 HB3 GLU A 56 10.655 -10.452 -8.151 1.00 0.58 H new ATOM 0 HG2 GLU A 56 13.412 -11.649 -8.575 1.00 0.69 H new ATOM 0 HG3 GLU A 56 11.888 -12.513 -8.527 1.00 0.69 H new ATOM 932 N ILE A 57 11.114 -7.675 -6.743 1.00 0.42 N ATOM 933 CA ILE A 57 10.158 -6.685 -6.286 1.00 0.39 C ATOM 934 C ILE A 57 10.619 -5.271 -6.622 1.00 0.36 C ATOM 935 O ILE A 57 9.885 -4.499 -7.236 1.00 0.37 O ATOM 936 CB ILE A 57 9.962 -6.809 -4.777 1.00 0.40 C ATOM 937 CG1 ILE A 57 9.361 -8.171 -4.438 1.00 0.48 C ATOM 938 CG2 ILE A 57 9.083 -5.687 -4.269 1.00 0.59 C ATOM 939 CD1 ILE A 57 9.267 -8.443 -2.957 1.00 1.00 C ATOM 0 H ILE A 57 11.667 -8.102 -6.000 1.00 0.42 H new ATOM 0 HA ILE A 57 9.214 -6.870 -6.799 1.00 0.39 H new ATOM 0 HB ILE A 57 10.931 -6.730 -4.284 1.00 0.40 H new ATOM 0 HG12 ILE A 57 8.364 -8.237 -4.874 1.00 0.48 H new ATOM 0 HG13 ILE A 57 9.965 -8.950 -4.904 1.00 0.48 H new ATOM 0 HG21 ILE A 57 8.951 -5.787 -3.192 1.00 0.59 H new ATOM 0 HG22 ILE A 57 9.553 -4.728 -4.489 1.00 0.59 H new ATOM 0 HG23 ILE A 57 8.111 -5.736 -4.759 1.00 0.59 H new ATOM 0 HD11 ILE A 57 8.831 -9.429 -2.795 1.00 1.00 H new ATOM 0 HD12 ILE A 57 10.264 -8.411 -2.517 1.00 1.00 H new ATOM 0 HD13 ILE A 57 8.639 -7.686 -2.487 1.00 1.00 H new ATOM 951 N PHE A 58 11.844 -4.949 -6.220 1.00 0.35 N ATOM 952 CA PHE A 58 12.428 -3.633 -6.457 1.00 0.36 C ATOM 953 C PHE A 58 12.357 -3.273 -7.929 1.00 0.41 C ATOM 954 O PHE A 58 11.991 -2.162 -8.295 1.00 0.44 O ATOM 955 CB PHE A 58 13.890 -3.614 -6.007 1.00 0.38 C ATOM 956 CG PHE A 58 14.579 -2.308 -6.268 1.00 0.52 C ATOM 957 CD1 PHE A 58 14.362 -1.216 -5.447 1.00 1.52 C ATOM 958 CD2 PHE A 58 15.440 -2.174 -7.341 1.00 1.12 C ATOM 959 CE1 PHE A 58 14.993 -0.015 -5.692 1.00 1.68 C ATOM 960 CE2 PHE A 58 16.073 -0.978 -7.590 1.00 1.16 C ATOM 961 CZ PHE A 58 15.849 0.103 -6.765 1.00 0.93 C ATOM 0 H PHE A 58 12.459 -5.592 -5.721 1.00 0.35 H new ATOM 0 HA PHE A 58 11.859 -2.903 -5.882 1.00 0.36 H new ATOM 0 HB2 PHE A 58 13.936 -3.833 -4.940 1.00 0.38 H new ATOM 0 HB3 PHE A 58 14.430 -4.410 -6.520 1.00 0.38 H new ATOM 0 HD1 PHE A 58 13.691 -1.305 -4.605 1.00 1.52 H new ATOM 0 HD2 PHE A 58 15.618 -3.018 -7.991 1.00 1.12 H new ATOM 0 HE1 PHE A 58 14.817 0.831 -5.044 1.00 1.68 H new ATOM 0 HE2 PHE A 58 16.745 -0.886 -8.431 1.00 1.16 H new ATOM 0 HZ PHE A 58 16.345 1.043 -6.960 1.00 0.93 H new ATOM 971 N GLN A 59 12.700 -4.237 -8.759 1.00 0.45 N ATOM 972 CA GLN A 59 12.717 -4.063 -10.195 1.00 0.52 C ATOM 973 C GLN A 59 11.297 -3.948 -10.734 1.00 0.52 C ATOM 974 O GLN A 59 11.064 -3.362 -11.793 1.00 0.57 O ATOM 975 CB GLN A 59 13.453 -5.237 -10.839 1.00 0.58 C ATOM 976 CG GLN A 59 14.921 -5.334 -10.429 1.00 0.61 C ATOM 977 CD GLN A 59 15.697 -4.060 -10.714 1.00 1.10 C ATOM 978 OE1 GLN A 59 16.632 -3.717 -9.989 1.00 1.92 O ATOM 979 NE2 GLN A 59 15.329 -3.356 -11.774 1.00 1.63 N ATOM 0 H GLN A 59 12.977 -5.170 -8.452 1.00 0.45 H new ATOM 0 HA GLN A 59 13.242 -3.140 -10.442 1.00 0.52 H new ATOM 0 HB2 GLN A 59 12.947 -6.164 -10.570 1.00 0.58 H new ATOM 0 HB3 GLN A 59 13.392 -5.143 -11.923 1.00 0.58 H new ATOM 0 HG2 GLN A 59 14.982 -5.561 -9.365 1.00 0.61 H new ATOM 0 HG3 GLN A 59 15.387 -6.164 -10.959 1.00 0.61 H new ATOM 0 HE21 GLN A 59 14.549 -3.672 -12.351 1.00 1.63 H new ATOM 0 HE22 GLN A 59 15.825 -2.498 -12.014 1.00 1.63 H new ATOM 988 N GLY A 60 10.350 -4.509 -9.989 1.00 0.48 N ATOM 989 CA GLY A 60 8.949 -4.337 -10.315 1.00 0.49 C ATOM 990 C GLY A 60 8.489 -2.910 -10.078 1.00 0.47 C ATOM 991 O GLY A 60 7.533 -2.446 -10.700 1.00 0.53 O ATOM 0 H GLY A 60 10.530 -5.081 -9.164 1.00 0.48 H new ATOM 0 HA2 GLY A 60 8.783 -4.605 -11.358 1.00 0.49 H new ATOM 0 HA3 GLY A 60 8.349 -5.018 -9.712 1.00 0.49 H new ATOM 995 N LEU A 61 9.174 -2.208 -9.180 1.00 0.42 N ATOM 996 CA LEU A 61 8.867 -0.808 -8.911 1.00 0.44 C ATOM 997 C LEU A 61 9.713 0.074 -9.811 1.00 0.51 C ATOM 998 O LEU A 61 9.217 1.031 -10.402 1.00 0.58 O ATOM 999 CB LEU A 61 9.137 -0.450 -7.444 1.00 0.39 C ATOM 1000 CG LEU A 61 9.161 -1.631 -6.477 1.00 0.34 C ATOM 1001 CD1 LEU A 61 9.786 -1.208 -5.162 1.00 0.31 C ATOM 1002 CD2 LEU A 61 7.753 -2.173 -6.258 1.00 0.35 C ATOM 0 H LEU A 61 9.944 -2.585 -8.627 1.00 0.42 H new ATOM 0 HA LEU A 61 7.808 -0.645 -9.112 1.00 0.44 H new ATOM 0 HB2 LEU A 61 10.095 0.067 -7.384 1.00 0.39 H new ATOM 0 HB3 LEU A 61 8.374 0.254 -7.113 1.00 0.39 H new ATOM 0 HG LEU A 61 9.764 -2.429 -6.909 1.00 0.34 H new ATOM 0 HD11 LEU A 61 9.800 -2.055 -4.477 1.00 0.31 H new ATOM 0 HD12 LEU A 61 10.806 -0.866 -5.337 1.00 0.31 H new ATOM 0 HD13 LEU A 61 9.202 -0.398 -4.725 1.00 0.31 H new ATOM 0 HD21 LEU A 61 7.791 -3.014 -5.566 1.00 0.35 H new ATOM 0 HD22 LEU A 61 7.122 -1.388 -5.841 1.00 0.35 H new ATOM 0 HD23 LEU A 61 7.339 -2.505 -7.210 1.00 0.35 H new ATOM 1014 N ASP A 62 10.992 -0.278 -9.909 1.00 0.50 N ATOM 1015 CA ASP A 62 11.952 0.437 -10.746 1.00 0.59 C ATOM 1016 C ASP A 62 11.659 0.184 -12.221 1.00 0.70 C ATOM 1017 O ASP A 62 12.357 -0.574 -12.900 1.00 0.75 O ATOM 1018 CB ASP A 62 13.382 0.002 -10.392 1.00 0.57 C ATOM 1019 CG ASP A 62 14.451 0.694 -11.226 1.00 0.64 C ATOM 1020 OD1 ASP A 62 14.384 1.928 -11.407 1.00 1.40 O ATOM 1021 OD2 ASP A 62 15.384 0.003 -11.690 1.00 1.11 O ATOM 0 H ASP A 62 11.394 -1.071 -9.408 1.00 0.50 H new ATOM 0 HA ASP A 62 11.859 1.507 -10.559 1.00 0.59 H new ATOM 0 HB2 ASP A 62 13.565 0.208 -9.337 1.00 0.57 H new ATOM 0 HB3 ASP A 62 13.469 -1.076 -10.526 1.00 0.57 H new ATOM 1026 N ALA A 63 10.599 0.813 -12.698 1.00 0.78 N ATOM 1027 CA ALA A 63 10.188 0.703 -14.088 1.00 0.94 C ATOM 1028 C ALA A 63 11.135 1.476 -14.985 1.00 1.12 C ATOM 1029 O ALA A 63 11.256 1.198 -16.177 1.00 1.30 O ATOM 1030 CB ALA A 63 8.776 1.230 -14.248 1.00 0.99 C ATOM 0 H ALA A 63 9.999 1.414 -12.133 1.00 0.78 H new ATOM 0 HA ALA A 63 10.215 -0.347 -14.379 1.00 0.94 H new ATOM 0 HB1 ALA A 63 8.472 1.146 -15.291 1.00 0.99 H new ATOM 0 HB2 ALA A 63 8.098 0.648 -13.624 1.00 0.99 H new ATOM 0 HB3 ALA A 63 8.741 2.276 -13.944 1.00 0.99 H new ATOM 1036 N ASN A 64 11.807 2.449 -14.396 1.00 1.09 N ATOM 1037 CA ASN A 64 12.741 3.287 -15.127 1.00 1.28 C ATOM 1038 C ASN A 64 14.054 2.552 -15.351 1.00 1.21 C ATOM 1039 O ASN A 64 14.857 2.927 -16.209 1.00 1.37 O ATOM 1040 CB ASN A 64 12.994 4.587 -14.362 1.00 1.34 C ATOM 1041 CG ASN A 64 11.747 5.437 -14.215 1.00 2.03 C ATOM 1042 OD1 ASN A 64 11.447 6.272 -15.071 1.00 2.55 O ATOM 1043 ND2 ASN A 64 11.021 5.250 -13.124 1.00 2.80 N ATOM 0 H ASN A 64 11.722 2.679 -13.406 1.00 1.09 H new ATOM 0 HA ASN A 64 12.304 3.525 -16.097 1.00 1.28 H new ATOM 0 HB2 ASN A 64 13.385 4.350 -13.372 1.00 1.34 H new ATOM 0 HB3 ASN A 64 13.762 5.163 -14.879 1.00 1.34 H new ATOM 0 HD21 ASN A 64 10.181 5.807 -12.969 1.00 2.80 H new ATOM 0 HD22 ASN A 64 11.302 4.549 -12.438 1.00 2.80 H new ATOM 1050 N GLN A 65 14.250 1.495 -14.560 1.00 1.03 N ATOM 1051 CA GLN A 65 15.433 0.644 -14.632 1.00 1.05 C ATOM 1052 C GLN A 65 16.705 1.429 -14.346 1.00 1.04 C ATOM 1053 O GLN A 65 17.769 1.134 -14.889 1.00 1.17 O ATOM 1054 CB GLN A 65 15.524 -0.071 -15.980 1.00 1.31 C ATOM 1055 CG GLN A 65 14.414 -1.084 -16.189 1.00 1.37 C ATOM 1056 CD GLN A 65 14.621 -1.934 -17.423 1.00 2.03 C ATOM 1057 OE1 GLN A 65 15.753 -2.194 -17.832 1.00 2.72 O ATOM 1058 NE2 GLN A 65 13.529 -2.376 -18.022 1.00 2.57 N ATOM 0 H GLN A 65 13.583 1.205 -13.845 1.00 1.03 H new ATOM 0 HA GLN A 65 15.331 -0.115 -13.857 1.00 1.05 H new ATOM 0 HB2 GLN A 65 15.489 0.668 -16.780 1.00 1.31 H new ATOM 0 HB3 GLN A 65 16.487 -0.575 -16.053 1.00 1.31 H new ATOM 0 HG2 GLN A 65 14.349 -1.731 -15.314 1.00 1.37 H new ATOM 0 HG3 GLN A 65 13.461 -0.561 -16.269 1.00 1.37 H new ATOM 0 HE21 GLN A 65 12.610 -2.136 -17.649 1.00 2.57 H new ATOM 0 HE22 GLN A 65 13.605 -2.957 -18.857 1.00 2.57 H new ATOM 1067 N ASP A 66 16.592 2.406 -13.462 1.00 0.93 N ATOM 1068 CA ASP A 66 17.734 3.218 -13.066 1.00 0.95 C ATOM 1069 C ASP A 66 18.299 2.690 -11.754 1.00 0.81 C ATOM 1070 O ASP A 66 19.338 3.139 -11.270 1.00 0.82 O ATOM 1071 CB ASP A 66 17.319 4.686 -12.920 1.00 1.06 C ATOM 1072 CG ASP A 66 18.499 5.614 -12.705 1.00 1.42 C ATOM 1073 OD1 ASP A 66 19.120 6.034 -13.703 1.00 2.13 O ATOM 1074 OD2 ASP A 66 18.812 5.934 -11.540 1.00 1.89 O ATOM 0 H ASP A 66 15.717 2.658 -13.002 1.00 0.93 H new ATOM 0 HA ASP A 66 18.503 3.158 -13.836 1.00 0.95 H new ATOM 0 HB2 ASP A 66 16.778 4.996 -13.814 1.00 1.06 H new ATOM 0 HB3 ASP A 66 16.630 4.782 -12.081 1.00 1.06 H new ATOM 1079 N GLU A 67 17.594 1.699 -11.217 1.00 0.73 N ATOM 1080 CA GLU A 67 17.921 1.064 -9.948 1.00 0.63 C ATOM 1081 C GLU A 67 17.695 2.037 -8.797 1.00 0.58 C ATOM 1082 O GLU A 67 18.556 2.231 -7.937 1.00 0.60 O ATOM 1083 CB GLU A 67 19.351 0.508 -9.930 1.00 0.68 C ATOM 1084 CG GLU A 67 19.599 -0.468 -8.786 1.00 0.97 C ATOM 1085 CD GLU A 67 21.026 -0.967 -8.733 1.00 1.42 C ATOM 1086 OE1 GLU A 67 21.354 -1.914 -9.471 1.00 2.01 O ATOM 1087 OE2 GLU A 67 21.823 -0.423 -7.940 1.00 2.02 O ATOM 0 H GLU A 67 16.763 1.308 -11.662 1.00 0.73 H new ATOM 0 HA GLU A 67 17.252 0.212 -9.823 1.00 0.63 H new ATOM 0 HB2 GLU A 67 19.551 0.007 -10.877 1.00 0.68 H new ATOM 0 HB3 GLU A 67 20.055 1.336 -9.852 1.00 0.68 H new ATOM 0 HG2 GLU A 67 19.355 0.018 -7.842 1.00 0.97 H new ATOM 0 HG3 GLU A 67 18.926 -1.319 -8.890 1.00 0.97 H new ATOM 1094 N GLN A 68 16.523 2.652 -8.794 1.00 0.61 N ATOM 1095 CA GLN A 68 16.118 3.514 -7.702 1.00 0.65 C ATOM 1096 C GLN A 68 14.617 3.405 -7.486 1.00 0.66 C ATOM 1097 O GLN A 68 13.856 3.227 -8.434 1.00 0.78 O ATOM 1098 CB GLN A 68 16.513 4.969 -7.963 1.00 0.85 C ATOM 1099 CG GLN A 68 15.789 5.611 -9.135 1.00 1.38 C ATOM 1100 CD GLN A 68 16.180 7.061 -9.342 1.00 1.63 C ATOM 1101 OE1 GLN A 68 16.555 7.739 -8.268 1.00 2.16 O flip ATOM 1102 NE2 GLN A 68 16.146 7.568 -10.462 1.00 2.07 N flip ATOM 0 H GLN A 68 15.834 2.568 -9.541 1.00 0.61 H new ATOM 0 HA GLN A 68 16.636 3.186 -6.801 1.00 0.65 H new ATOM 0 HB2 GLN A 68 16.316 5.554 -7.064 1.00 0.85 H new ATOM 0 HB3 GLN A 68 17.587 5.015 -8.144 1.00 0.85 H new ATOM 0 HG2 GLN A 68 16.005 5.048 -10.043 1.00 1.38 H new ATOM 0 HG3 GLN A 68 14.713 5.549 -8.970 1.00 1.38 H new ATOM 0 HE21 GLN A 68 15.851 7.012 -11.265 1.00 2.07 H new ATOM 0 HE22 GLN A 68 16.413 8.544 -10.588 1.00 2.07 H new ATOM 1111 N VAL A 69 14.208 3.468 -6.236 1.00 0.59 N ATOM 1112 CA VAL A 69 12.805 3.407 -5.883 1.00 0.64 C ATOM 1113 C VAL A 69 12.276 4.787 -5.455 1.00 0.64 C ATOM 1114 O VAL A 69 12.627 5.313 -4.397 1.00 0.68 O ATOM 1115 CB VAL A 69 12.573 2.349 -4.772 1.00 0.72 C ATOM 1116 CG1 VAL A 69 13.437 2.617 -3.546 1.00 1.81 C ATOM 1117 CG2 VAL A 69 11.110 2.277 -4.388 1.00 1.22 C ATOM 0 H VAL A 69 14.837 3.563 -5.438 1.00 0.59 H new ATOM 0 HA VAL A 69 12.245 3.104 -6.767 1.00 0.64 H new ATOM 0 HB VAL A 69 12.871 1.383 -5.180 1.00 0.72 H new ATOM 0 HG11 VAL A 69 13.245 1.854 -2.792 1.00 1.81 H new ATOM 0 HG12 VAL A 69 14.489 2.590 -3.829 1.00 1.81 H new ATOM 0 HG13 VAL A 69 13.196 3.599 -3.139 1.00 1.81 H new ATOM 0 HG21 VAL A 69 10.975 1.528 -3.608 1.00 1.22 H new ATOM 0 HG22 VAL A 69 10.783 3.249 -4.019 1.00 1.22 H new ATOM 0 HG23 VAL A 69 10.518 2.002 -5.261 1.00 1.22 H new ATOM 1127 N ASP A 70 11.455 5.382 -6.317 1.00 0.67 N ATOM 1128 CA ASP A 70 10.765 6.638 -6.008 1.00 0.73 C ATOM 1129 C ASP A 70 9.770 6.410 -4.871 1.00 0.64 C ATOM 1130 O ASP A 70 9.476 5.265 -4.541 1.00 0.56 O ATOM 1131 CB ASP A 70 10.020 7.132 -7.260 1.00 0.84 C ATOM 1132 CG ASP A 70 9.401 8.515 -7.124 1.00 1.38 C ATOM 1133 OD1 ASP A 70 8.302 8.632 -6.541 1.00 1.99 O ATOM 1134 OD2 ASP A 70 9.998 9.488 -7.630 1.00 2.02 O ATOM 0 H ASP A 70 11.248 5.012 -7.245 1.00 0.67 H new ATOM 0 HA ASP A 70 11.493 7.388 -5.701 1.00 0.73 H new ATOM 0 HB2 ASP A 70 10.714 7.140 -8.100 1.00 0.84 H new ATOM 0 HB3 ASP A 70 9.233 6.418 -7.504 1.00 0.84 H new ATOM 1139 N PHE A 71 9.240 7.471 -4.277 1.00 0.70 N ATOM 1140 CA PHE A 71 8.190 7.310 -3.277 1.00 0.66 C ATOM 1141 C PHE A 71 6.998 6.597 -3.912 1.00 0.55 C ATOM 1142 O PHE A 71 6.336 5.782 -3.279 1.00 0.48 O ATOM 1143 CB PHE A 71 7.739 8.659 -2.706 1.00 0.82 C ATOM 1144 CG PHE A 71 8.839 9.482 -2.087 1.00 1.12 C ATOM 1145 CD1 PHE A 71 9.920 8.881 -1.458 1.00 1.50 C ATOM 1146 CD2 PHE A 71 8.785 10.865 -2.137 1.00 1.92 C ATOM 1147 CE1 PHE A 71 10.924 9.647 -0.895 1.00 1.76 C ATOM 1148 CE2 PHE A 71 9.785 11.634 -1.574 1.00 2.17 C ATOM 1149 CZ PHE A 71 10.856 11.025 -0.952 1.00 1.76 C ATOM 0 H PHE A 71 9.512 8.436 -4.464 1.00 0.70 H new ATOM 0 HA PHE A 71 8.591 6.719 -2.454 1.00 0.66 H new ATOM 0 HB2 PHE A 71 7.276 9.239 -3.504 1.00 0.82 H new ATOM 0 HB3 PHE A 71 6.970 8.481 -1.954 1.00 0.82 H new ATOM 0 HD1 PHE A 71 9.978 7.804 -1.408 1.00 1.50 H new ATOM 0 HD2 PHE A 71 7.950 11.349 -2.622 1.00 1.92 H new ATOM 0 HE1 PHE A 71 11.762 9.167 -0.411 1.00 1.76 H new ATOM 0 HE2 PHE A 71 9.729 12.712 -1.621 1.00 2.17 H new ATOM 0 HZ PHE A 71 11.639 11.625 -0.511 1.00 1.76 H new ATOM 1159 N GLN A 72 6.750 6.918 -5.178 1.00 0.59 N ATOM 1160 CA GLN A 72 5.708 6.278 -5.970 1.00 0.56 C ATOM 1161 C GLN A 72 6.023 4.805 -6.202 1.00 0.49 C ATOM 1162 O GLN A 72 5.148 3.948 -6.109 1.00 0.47 O ATOM 1163 CB GLN A 72 5.579 6.998 -7.314 1.00 0.69 C ATOM 1164 CG GLN A 72 4.596 6.351 -8.267 1.00 0.74 C ATOM 1165 CD GLN A 72 4.671 6.937 -9.662 1.00 1.08 C ATOM 1166 OE1 GLN A 72 5.442 6.477 -10.504 1.00 1.66 O ATOM 1167 NE2 GLN A 72 3.875 7.960 -9.915 1.00 1.66 N ATOM 0 H GLN A 72 7.270 7.634 -5.685 1.00 0.59 H new ATOM 0 HA GLN A 72 4.767 6.342 -5.423 1.00 0.56 H new ATOM 0 HB2 GLN A 72 5.271 8.028 -7.135 1.00 0.69 H new ATOM 0 HB3 GLN A 72 6.559 7.036 -7.790 1.00 0.69 H new ATOM 0 HG2 GLN A 72 4.792 5.280 -8.315 1.00 0.74 H new ATOM 0 HG3 GLN A 72 3.585 6.473 -7.879 1.00 0.74 H new ATOM 0 HE21 GLN A 72 3.250 8.312 -9.189 1.00 1.66 H new ATOM 0 HE22 GLN A 72 3.885 8.398 -10.836 1.00 1.66 H new ATOM 1176 N GLU A 73 7.277 4.518 -6.500 1.00 0.49 N ATOM 1177 CA GLU A 73 7.705 3.153 -6.752 1.00 0.46 C ATOM 1178 C GLU A 73 7.747 2.366 -5.443 1.00 0.36 C ATOM 1179 O GLU A 73 7.505 1.162 -5.415 1.00 0.32 O ATOM 1180 CB GLU A 73 9.055 3.168 -7.476 1.00 0.56 C ATOM 1181 CG GLU A 73 8.984 3.919 -8.802 1.00 0.78 C ATOM 1182 CD GLU A 73 10.313 4.038 -9.523 1.00 1.15 C ATOM 1183 OE1 GLU A 73 11.249 4.635 -8.955 1.00 1.99 O ATOM 1184 OE2 GLU A 73 10.408 3.587 -10.685 1.00 1.82 O ATOM 0 H GLU A 73 8.019 5.214 -6.574 1.00 0.49 H new ATOM 0 HA GLU A 73 6.990 2.647 -7.401 1.00 0.46 H new ATOM 0 HB2 GLU A 73 9.805 3.633 -6.836 1.00 0.56 H new ATOM 0 HB3 GLU A 73 9.381 2.144 -7.656 1.00 0.56 H new ATOM 0 HG2 GLU A 73 8.273 3.413 -9.455 1.00 0.78 H new ATOM 0 HG3 GLU A 73 8.592 4.920 -8.619 1.00 0.78 H new ATOM 1191 N PHE A 74 8.016 3.065 -4.351 1.00 0.37 N ATOM 1192 CA PHE A 74 7.924 2.479 -3.022 1.00 0.34 C ATOM 1193 C PHE A 74 6.461 2.293 -2.646 1.00 0.32 C ATOM 1194 O PHE A 74 6.111 1.474 -1.798 1.00 0.33 O ATOM 1195 CB PHE A 74 8.634 3.370 -1.995 1.00 0.43 C ATOM 1196 CG PHE A 74 8.548 2.858 -0.584 1.00 0.78 C ATOM 1197 CD1 PHE A 74 9.261 1.738 -0.194 1.00 1.31 C ATOM 1198 CD2 PHE A 74 7.748 3.499 0.349 1.00 1.44 C ATOM 1199 CE1 PHE A 74 9.180 1.265 1.102 1.00 1.77 C ATOM 1200 CE2 PHE A 74 7.665 3.031 1.645 1.00 1.92 C ATOM 1201 CZ PHE A 74 8.380 1.912 2.022 1.00 1.89 C ATOM 0 H PHE A 74 8.301 4.044 -4.359 1.00 0.37 H new ATOM 0 HA PHE A 74 8.416 1.506 -3.026 1.00 0.34 H new ATOM 0 HB2 PHE A 74 9.683 3.464 -2.274 1.00 0.43 H new ATOM 0 HB3 PHE A 74 8.202 4.370 -2.036 1.00 0.43 H new ATOM 0 HD1 PHE A 74 9.888 1.228 -0.910 1.00 1.31 H new ATOM 0 HD2 PHE A 74 7.184 4.373 0.059 1.00 1.44 H new ATOM 0 HE1 PHE A 74 9.742 0.390 1.395 1.00 1.77 H new ATOM 0 HE2 PHE A 74 7.041 3.540 2.364 1.00 1.92 H new ATOM 0 HZ PHE A 74 8.314 1.543 3.035 1.00 1.89 H new ATOM 1211 N ILE A 75 5.612 3.048 -3.311 1.00 0.33 N ATOM 1212 CA ILE A 75 4.185 2.955 -3.108 1.00 0.35 C ATOM 1213 C ILE A 75 3.659 1.660 -3.712 1.00 0.34 C ATOM 1214 O ILE A 75 2.847 0.958 -3.103 1.00 0.36 O ATOM 1215 CB ILE A 75 3.490 4.199 -3.700 1.00 0.41 C ATOM 1216 CG1 ILE A 75 3.316 5.243 -2.610 1.00 0.49 C ATOM 1217 CG2 ILE A 75 2.162 3.863 -4.346 1.00 0.45 C ATOM 1218 CD1 ILE A 75 3.040 6.614 -3.148 1.00 0.67 C ATOM 0 H ILE A 75 5.892 3.741 -4.005 1.00 0.33 H new ATOM 0 HA ILE A 75 3.962 2.932 -2.041 1.00 0.35 H new ATOM 0 HB ILE A 75 4.124 4.599 -4.491 1.00 0.41 H new ATOM 0 HG12 ILE A 75 2.497 4.944 -1.956 1.00 0.49 H new ATOM 0 HG13 ILE A 75 4.217 5.274 -1.998 1.00 0.49 H new ATOM 0 HG21 ILE A 75 1.713 4.771 -4.747 1.00 0.45 H new ATOM 0 HG22 ILE A 75 2.321 3.149 -5.154 1.00 0.45 H new ATOM 0 HG23 ILE A 75 1.496 3.427 -3.602 1.00 0.45 H new ATOM 0 HD11 ILE A 75 2.926 7.314 -2.320 1.00 0.67 H new ATOM 0 HD12 ILE A 75 3.870 6.931 -3.779 1.00 0.67 H new ATOM 0 HD13 ILE A 75 2.123 6.596 -3.737 1.00 0.67 H new ATOM 1230 N SER A 76 4.156 1.323 -4.895 1.00 0.34 N ATOM 1231 CA SER A 76 3.851 0.042 -5.491 1.00 0.36 C ATOM 1232 C SER A 76 4.493 -1.080 -4.677 1.00 0.31 C ATOM 1233 O SER A 76 3.970 -2.181 -4.611 1.00 0.33 O ATOM 1234 CB SER A 76 4.308 0.008 -6.950 1.00 0.45 C ATOM 1235 OG SER A 76 5.528 0.709 -7.129 1.00 0.74 O ATOM 0 H SER A 76 4.768 1.919 -5.453 1.00 0.34 H new ATOM 0 HA SER A 76 2.771 -0.108 -5.481 1.00 0.36 H new ATOM 0 HB2 SER A 76 4.431 -1.027 -7.270 1.00 0.45 H new ATOM 0 HB3 SER A 76 3.538 0.448 -7.584 1.00 0.45 H new ATOM 0 HG SER A 76 6.114 0.548 -6.360 1.00 0.74 H new ATOM 1241 N LEU A 77 5.609 -0.773 -4.024 1.00 0.28 N ATOM 1242 CA LEU A 77 6.296 -1.736 -3.165 1.00 0.26 C ATOM 1243 C LEU A 77 5.361 -2.235 -2.075 1.00 0.23 C ATOM 1244 O LEU A 77 5.237 -3.438 -1.846 1.00 0.23 O ATOM 1245 CB LEU A 77 7.547 -1.077 -2.557 1.00 0.30 C ATOM 1246 CG LEU A 77 8.376 -1.906 -1.561 1.00 0.38 C ATOM 1247 CD1 LEU A 77 7.788 -1.842 -0.156 1.00 1.11 C ATOM 1248 CD2 LEU A 77 8.497 -3.347 -2.020 1.00 1.15 C ATOM 0 H LEU A 77 6.061 0.140 -4.073 1.00 0.28 H new ATOM 0 HA LEU A 77 6.604 -2.596 -3.759 1.00 0.26 H new ATOM 0 HB2 LEU A 77 8.203 -0.782 -3.376 1.00 0.30 H new ATOM 0 HB3 LEU A 77 7.234 -0.162 -2.054 1.00 0.30 H new ATOM 0 HG LEU A 77 9.374 -1.470 -1.528 1.00 0.38 H new ATOM 0 HD11 LEU A 77 8.399 -2.439 0.522 1.00 1.11 H new ATOM 0 HD12 LEU A 77 7.773 -0.807 0.185 1.00 1.11 H new ATOM 0 HD13 LEU A 77 6.771 -2.234 -0.169 1.00 1.11 H new ATOM 0 HD21 LEU A 77 9.088 -3.911 -1.298 1.00 1.15 H new ATOM 0 HD22 LEU A 77 7.503 -3.788 -2.099 1.00 1.15 H new ATOM 0 HD23 LEU A 77 8.987 -3.379 -2.993 1.00 1.15 H new ATOM 1260 N VAL A 78 4.698 -1.305 -1.410 1.00 0.24 N ATOM 1261 CA VAL A 78 3.777 -1.656 -0.347 1.00 0.25 C ATOM 1262 C VAL A 78 2.592 -2.412 -0.913 1.00 0.27 C ATOM 1263 O VAL A 78 2.041 -3.283 -0.264 1.00 0.28 O ATOM 1264 CB VAL A 78 3.281 -0.414 0.403 1.00 0.29 C ATOM 1265 CG1 VAL A 78 2.448 -0.818 1.607 1.00 0.33 C ATOM 1266 CG2 VAL A 78 4.461 0.450 0.815 1.00 0.31 C ATOM 0 H VAL A 78 4.781 -0.304 -1.588 1.00 0.24 H new ATOM 0 HA VAL A 78 4.315 -2.289 0.359 1.00 0.25 H new ATOM 0 HB VAL A 78 2.644 0.172 -0.260 1.00 0.29 H new ATOM 0 HG11 VAL A 78 2.104 0.076 2.128 1.00 0.33 H new ATOM 0 HG12 VAL A 78 1.587 -1.399 1.276 1.00 0.33 H new ATOM 0 HG13 VAL A 78 3.054 -1.421 2.283 1.00 0.33 H new ATOM 0 HG21 VAL A 78 4.099 1.330 1.347 1.00 0.31 H new ATOM 0 HG22 VAL A 78 5.121 -0.122 1.467 1.00 0.31 H new ATOM 0 HG23 VAL A 78 5.010 0.763 -0.073 1.00 0.31 H new ATOM 1276 N ALA A 79 2.218 -2.078 -2.137 1.00 0.31 N ATOM 1277 CA ALA A 79 1.175 -2.799 -2.843 1.00 0.35 C ATOM 1278 C ALA A 79 1.585 -4.261 -3.036 1.00 0.33 C ATOM 1279 O ALA A 79 0.790 -5.182 -2.836 1.00 0.33 O ATOM 1280 CB ALA A 79 0.911 -2.126 -4.183 1.00 0.43 C ATOM 0 H ALA A 79 2.626 -1.306 -2.665 1.00 0.31 H new ATOM 0 HA ALA A 79 0.257 -2.781 -2.256 1.00 0.35 H new ATOM 0 HB1 ALA A 79 0.128 -2.667 -4.714 1.00 0.43 H new ATOM 0 HB2 ALA A 79 0.592 -1.097 -4.017 1.00 0.43 H new ATOM 0 HB3 ALA A 79 1.824 -2.132 -4.779 1.00 0.43 H new ATOM 1286 N ILE A 80 2.842 -4.455 -3.414 1.00 0.32 N ATOM 1287 CA ILE A 80 3.430 -5.785 -3.533 1.00 0.32 C ATOM 1288 C ILE A 80 3.385 -6.511 -2.193 1.00 0.28 C ATOM 1289 O ILE A 80 3.019 -7.685 -2.110 1.00 0.31 O ATOM 1290 CB ILE A 80 4.901 -5.695 -4.029 1.00 0.34 C ATOM 1291 CG1 ILE A 80 4.970 -5.662 -5.559 1.00 0.38 C ATOM 1292 CG2 ILE A 80 5.741 -6.844 -3.491 1.00 0.36 C ATOM 1293 CD1 ILE A 80 4.161 -4.554 -6.190 1.00 0.40 C ATOM 0 H ILE A 80 3.483 -3.696 -3.647 1.00 0.32 H new ATOM 0 HA ILE A 80 2.846 -6.346 -4.263 1.00 0.32 H new ATOM 0 HB ILE A 80 5.312 -4.762 -3.644 1.00 0.34 H new ATOM 0 HG12 ILE A 80 6.011 -5.555 -5.863 1.00 0.38 H new ATOM 0 HG13 ILE A 80 4.621 -6.619 -5.948 1.00 0.38 H new ATOM 0 HG21 ILE A 80 6.763 -6.750 -3.857 1.00 0.36 H new ATOM 0 HG22 ILE A 80 5.742 -6.815 -2.401 1.00 0.36 H new ATOM 0 HG23 ILE A 80 5.320 -7.791 -3.828 1.00 0.36 H new ATOM 0 HD11 ILE A 80 4.264 -4.601 -7.274 1.00 0.40 H new ATOM 0 HD12 ILE A 80 3.112 -4.670 -5.919 1.00 0.40 H new ATOM 0 HD13 ILE A 80 4.523 -3.590 -5.832 1.00 0.40 H new ATOM 1305 N ALA A 81 3.747 -5.797 -1.146 1.00 0.23 N ATOM 1306 CA ALA A 81 3.803 -6.368 0.184 1.00 0.23 C ATOM 1307 C ALA A 81 2.406 -6.629 0.735 1.00 0.23 C ATOM 1308 O ALA A 81 2.206 -7.542 1.532 1.00 0.28 O ATOM 1309 CB ALA A 81 4.597 -5.456 1.095 1.00 0.24 C ATOM 0 H ALA A 81 4.009 -4.812 -1.192 1.00 0.23 H new ATOM 0 HA ALA A 81 4.307 -7.333 0.131 1.00 0.23 H new ATOM 0 HB1 ALA A 81 4.638 -5.887 2.095 1.00 0.24 H new ATOM 0 HB2 ALA A 81 5.609 -5.345 0.706 1.00 0.24 H new ATOM 0 HB3 ALA A 81 4.116 -4.479 1.141 1.00 0.24 H new ATOM 1315 N LEU A 82 1.445 -5.828 0.303 1.00 0.22 N ATOM 1316 CA LEU A 82 0.049 -6.045 0.645 1.00 0.23 C ATOM 1317 C LEU A 82 -0.458 -7.310 -0.020 1.00 0.24 C ATOM 1318 O LEU A 82 -1.319 -8.011 0.518 1.00 0.29 O ATOM 1319 CB LEU A 82 -0.804 -4.858 0.212 1.00 0.25 C ATOM 1320 CG LEU A 82 -0.640 -3.588 1.041 1.00 0.26 C ATOM 1321 CD1 LEU A 82 -1.430 -2.463 0.415 1.00 0.33 C ATOM 1322 CD2 LEU A 82 -1.091 -3.820 2.473 1.00 0.31 C ATOM 0 H LEU A 82 1.609 -5.015 -0.290 1.00 0.22 H new ATOM 0 HA LEU A 82 -0.026 -6.151 1.727 1.00 0.23 H new ATOM 0 HB2 LEU A 82 -0.569 -4.625 -0.826 1.00 0.25 H new ATOM 0 HB3 LEU A 82 -1.852 -5.157 0.242 1.00 0.25 H new ATOM 0 HG LEU A 82 0.415 -3.314 1.058 1.00 0.26 H new ATOM 0 HD11 LEU A 82 -1.310 -1.558 1.011 1.00 0.33 H new ATOM 0 HD12 LEU A 82 -1.067 -2.282 -0.597 1.00 0.33 H new ATOM 0 HD13 LEU A 82 -2.485 -2.736 0.378 1.00 0.33 H new ATOM 0 HD21 LEU A 82 -0.966 -2.902 3.047 1.00 0.31 H new ATOM 0 HD22 LEU A 82 -2.141 -4.113 2.481 1.00 0.31 H new ATOM 0 HD23 LEU A 82 -0.490 -4.612 2.920 1.00 0.31 H new ATOM 1334 N LYS A 83 0.072 -7.600 -1.203 1.00 0.26 N ATOM 1335 CA LYS A 83 -0.239 -8.848 -1.872 1.00 0.33 C ATOM 1336 C LYS A 83 0.324 -10.009 -1.075 1.00 0.31 C ATOM 1337 O LYS A 83 -0.322 -11.038 -0.912 1.00 0.44 O ATOM 1338 CB LYS A 83 0.311 -8.889 -3.301 1.00 0.42 C ATOM 1339 CG LYS A 83 -0.765 -8.947 -4.373 1.00 0.66 C ATOM 1340 CD LYS A 83 -1.869 -9.897 -3.959 1.00 1.04 C ATOM 1341 CE LYS A 83 -2.850 -10.178 -5.074 1.00 0.80 C ATOM 1342 NZ LYS A 83 -3.550 -8.966 -5.528 1.00 1.67 N ATOM 0 H LYS A 83 0.713 -6.991 -1.711 1.00 0.26 H new ATOM 0 HA LYS A 83 -1.324 -8.927 -1.934 1.00 0.33 H new ATOM 0 HB2 LYS A 83 0.929 -8.007 -3.468 1.00 0.42 H new ATOM 0 HB3 LYS A 83 0.961 -9.758 -3.405 1.00 0.42 H new ATOM 0 HG2 LYS A 83 -1.176 -7.951 -4.539 1.00 0.66 H new ATOM 0 HG3 LYS A 83 -0.330 -9.274 -5.317 1.00 0.66 H new ATOM 0 HD2 LYS A 83 -1.428 -10.836 -3.625 1.00 1.04 H new ATOM 0 HD3 LYS A 83 -2.404 -9.476 -3.108 1.00 1.04 H new ATOM 0 HE2 LYS A 83 -2.320 -10.624 -5.916 1.00 0.80 H new ATOM 0 HE3 LYS A 83 -3.582 -10.910 -4.733 1.00 0.80 H new ATOM 0 HZ1 LYS A 83 -4.535 -8.989 -5.195 1.00 1.67 H new ATOM 0 HZ2 LYS A 83 -3.074 -8.125 -5.143 1.00 1.67 H new ATOM 0 HZ3 LYS A 83 -3.537 -8.926 -6.567 1.00 1.67 H new ATOM 1356 N ALA A 84 1.532 -9.819 -0.575 1.00 0.31 N ATOM 1357 CA ALA A 84 2.173 -10.793 0.290 1.00 0.35 C ATOM 1358 C ALA A 84 1.441 -10.908 1.623 1.00 0.33 C ATOM 1359 O ALA A 84 1.600 -11.887 2.339 1.00 0.40 O ATOM 1360 CB ALA A 84 3.622 -10.413 0.517 1.00 0.48 C ATOM 0 H ALA A 84 2.095 -8.988 -0.756 1.00 0.31 H new ATOM 0 HA ALA A 84 2.133 -11.765 -0.202 1.00 0.35 H new ATOM 0 HB1 ALA A 84 4.094 -11.150 1.167 1.00 0.48 H new ATOM 0 HB2 ALA A 84 4.145 -10.385 -0.439 1.00 0.48 H new ATOM 0 HB3 ALA A 84 3.671 -9.431 0.987 1.00 0.48 H new ATOM 1366 N ALA A 85 0.683 -9.879 1.970 1.00 0.30 N ATOM 1367 CA ALA A 85 -0.090 -9.881 3.204 1.00 0.38 C ATOM 1368 C ALA A 85 -1.428 -10.607 3.033 1.00 0.44 C ATOM 1369 O ALA A 85 -1.753 -11.510 3.802 1.00 0.57 O ATOM 1370 CB ALA A 85 -0.315 -8.458 3.689 1.00 0.43 C ATOM 0 H ALA A 85 0.586 -9.030 1.413 1.00 0.30 H new ATOM 0 HA ALA A 85 0.485 -10.424 3.954 1.00 0.38 H new ATOM 0 HB1 ALA A 85 -0.894 -8.476 4.612 1.00 0.43 H new ATOM 0 HB2 ALA A 85 0.647 -7.980 3.873 1.00 0.43 H new ATOM 0 HB3 ALA A 85 -0.859 -7.897 2.930 1.00 0.43 H new ATOM 1376 N HIS A 86 -2.203 -10.216 2.024 1.00 0.44 N ATOM 1377 CA HIS A 86 -3.545 -10.773 1.838 1.00 0.59 C ATOM 1378 C HIS A 86 -3.488 -12.082 1.061 1.00 0.63 C ATOM 1379 O HIS A 86 -3.982 -13.115 1.508 1.00 0.72 O ATOM 1380 CB HIS A 86 -4.442 -9.782 1.089 1.00 0.69 C ATOM 1381 CG HIS A 86 -5.900 -9.921 1.414 1.00 1.28 C ATOM 1382 ND1 HIS A 86 -6.729 -8.838 1.621 1.00 2.06 N ATOM 1383 CD2 HIS A 86 -6.676 -11.019 1.579 1.00 2.11 C ATOM 1384 CE1 HIS A 86 -7.945 -9.266 1.901 1.00 2.66 C ATOM 1385 NE2 HIS A 86 -7.944 -10.586 1.883 1.00 2.68 N ATOM 0 H HIS A 86 -1.930 -9.522 1.328 1.00 0.44 H new ATOM 0 HA HIS A 86 -3.962 -10.963 2.827 1.00 0.59 H new ATOM 0 HB2 HIS A 86 -4.122 -8.767 1.324 1.00 0.69 H new ATOM 0 HB3 HIS A 86 -4.303 -9.920 0.017 1.00 0.69 H new ATOM 0 HD2 HIS A 86 -6.356 -12.047 1.488 1.00 2.11 H new ATOM 0 HE1 HIS A 86 -8.800 -8.640 2.110 1.00 2.66 H new ATOM 0 HE2 HIS A 86 -8.750 -11.184 2.064 1.00 2.68 H new ATOM 1394 N TYR A 87 -2.862 -12.019 -0.099 1.00 0.58 N ATOM 1395 CA TYR A 87 -2.738 -13.151 -1.008 1.00 0.65 C ATOM 1396 C TYR A 87 -1.493 -13.950 -0.650 1.00 0.62 C ATOM 1397 O TYR A 87 -0.852 -14.526 -1.524 1.00 0.66 O ATOM 1398 CB TYR A 87 -2.694 -12.695 -2.465 1.00 0.69 C ATOM 1399 CG TYR A 87 -3.342 -13.670 -3.423 1.00 0.87 C ATOM 1400 CD1 TYR A 87 -4.726 -13.741 -3.534 1.00 1.62 C ATOM 1401 CD2 TYR A 87 -2.577 -14.516 -4.215 1.00 1.44 C ATOM 1402 CE1 TYR A 87 -5.327 -14.628 -4.405 1.00 1.80 C ATOM 1403 CE2 TYR A 87 -3.172 -15.405 -5.089 1.00 1.55 C ATOM 1404 CZ TYR A 87 -4.547 -15.458 -5.180 1.00 1.29 C ATOM 1405 OH TYR A 87 -5.143 -16.346 -6.047 1.00 1.52 O ATOM 0 H TYR A 87 -2.417 -11.169 -0.445 1.00 0.58 H new ATOM 0 HA TYR A 87 -3.617 -13.786 -0.898 1.00 0.65 H new ATOM 0 HB2 TYR A 87 -3.192 -11.729 -2.550 1.00 0.69 H new ATOM 0 HB3 TYR A 87 -1.655 -12.545 -2.759 1.00 0.69 H new ATOM 0 HD1 TYR A 87 -5.341 -13.092 -2.929 1.00 1.62 H new ATOM 0 HD2 TYR A 87 -1.500 -14.478 -4.147 1.00 1.44 H new ATOM 0 HE1 TYR A 87 -6.404 -14.671 -4.478 1.00 1.80 H new ATOM 0 HE2 TYR A 87 -2.563 -16.056 -5.699 1.00 1.55 H new ATOM 0 HH TYR A 87 -4.452 -16.856 -6.519 1.00 1.52 H new ATOM 1415 N HIS A 88 -1.103 -13.819 0.622 1.00 0.59 N ATOM 1416 CA HIS A 88 0.122 -14.380 1.232 1.00 0.62 C ATOM 1417 C HIS A 88 0.449 -15.850 0.906 1.00 0.69 C ATOM 1418 O HIS A 88 1.216 -16.477 1.635 1.00 0.75 O ATOM 1419 CB HIS A 88 0.031 -14.231 2.759 1.00 0.65 C ATOM 1420 CG HIS A 88 -1.170 -14.882 3.386 1.00 1.54 C ATOM 1421 ND1 HIS A 88 -2.172 -14.160 3.995 1.00 2.37 N ATOM 1422 CD2 HIS A 88 -1.519 -16.184 3.515 1.00 2.40 C ATOM 1423 CE1 HIS A 88 -3.083 -14.987 4.470 1.00 3.25 C ATOM 1424 NE2 HIS A 88 -2.712 -16.221 4.193 1.00 3.26 N ATOM 0 H HIS A 88 -1.658 -13.292 1.296 1.00 0.59 H new ATOM 0 HA HIS A 88 0.934 -13.805 0.787 1.00 0.62 H new ATOM 0 HB2 HIS A 88 0.931 -14.655 3.205 1.00 0.65 H new ATOM 0 HB3 HIS A 88 0.022 -13.169 3.006 1.00 0.65 H new ATOM 0 HD1 HIS A 88 -2.205 -13.143 4.068 1.00 2.37 H new ATOM 0 HD2 HIS A 88 -0.962 -17.035 3.152 1.00 2.40 H new ATOM 0 HE1 HIS A 88 -3.981 -14.701 4.997 1.00 3.25 H new ATOM 1433 N THR A 89 -0.108 -16.403 -0.149 1.00 0.73 N ATOM 1434 CA THR A 89 0.252 -17.739 -0.569 1.00 0.81 C ATOM 1435 C THR A 89 1.617 -17.701 -1.262 1.00 0.72 C ATOM 1436 O THR A 89 2.488 -18.520 -0.971 1.00 1.05 O ATOM 1437 CB THR A 89 -0.818 -18.359 -1.501 1.00 0.97 C ATOM 1438 OG1 THR A 89 -0.361 -19.618 -2.006 1.00 1.26 O ATOM 1439 CG2 THR A 89 -1.158 -17.432 -2.664 1.00 0.89 C ATOM 0 H THR A 89 -0.811 -15.949 -0.731 1.00 0.73 H new ATOM 0 HA THR A 89 0.308 -18.374 0.315 1.00 0.81 H new ATOM 0 HB THR A 89 -1.723 -18.507 -0.911 1.00 0.97 H new ATOM 0 HG1 THR A 89 0.437 -19.479 -2.557 1.00 1.26 H new ATOM 0 HG21 THR A 89 -1.912 -17.902 -3.295 1.00 0.89 H new ATOM 0 HG22 THR A 89 -1.545 -16.489 -2.277 1.00 0.89 H new ATOM 0 HG23 THR A 89 -0.260 -17.241 -3.252 1.00 0.89 H new ATOM 1447 N HIS A 90 1.795 -16.713 -2.146 1.00 0.65 N ATOM 1448 CA HIS A 90 3.042 -16.499 -2.878 1.00 0.64 C ATOM 1449 C HIS A 90 2.830 -15.481 -3.987 1.00 0.93 C ATOM 1450 O HIS A 90 2.616 -15.831 -5.140 1.00 1.77 O ATOM 1451 CB HIS A 90 3.637 -17.794 -3.475 1.00 0.91 C ATOM 1452 CG HIS A 90 2.728 -18.585 -4.388 1.00 1.72 C ATOM 1453 ND1 HIS A 90 1.747 -19.442 -3.932 1.00 2.44 N ATOM 1454 CD2 HIS A 90 2.671 -18.648 -5.742 1.00 2.68 C ATOM 1455 CE1 HIS A 90 1.132 -19.993 -4.962 1.00 3.33 C ATOM 1456 NE2 HIS A 90 1.671 -19.528 -6.070 1.00 3.47 N ATOM 0 H HIS A 90 1.068 -16.034 -2.373 1.00 0.65 H new ATOM 0 HA HIS A 90 3.762 -16.126 -2.149 1.00 0.64 H new ATOM 0 HB2 HIS A 90 4.538 -17.533 -4.030 1.00 0.91 H new ATOM 0 HB3 HIS A 90 3.945 -18.441 -2.653 1.00 0.91 H new ATOM 0 HD2 HIS A 90 3.298 -18.105 -6.434 1.00 2.68 H new ATOM 0 HE1 HIS A 90 0.322 -20.706 -4.905 1.00 3.33 H new ATOM 0 HE2 HIS A 90 1.391 -19.781 -7.018 1.00 3.47 H new ATOM 1465 N LYS A 91 2.866 -14.215 -3.631 1.00 0.91 N ATOM 1466 CA LYS A 91 2.867 -13.165 -4.640 1.00 1.63 C ATOM 1467 C LYS A 91 4.152 -13.256 -5.470 1.00 2.59 C ATOM 1468 O LYS A 91 4.209 -12.779 -6.606 1.00 3.47 O ATOM 1469 CB LYS A 91 2.751 -11.786 -3.987 1.00 1.09 C ATOM 1470 CG LYS A 91 2.765 -10.639 -4.989 1.00 1.28 C ATOM 1471 CD LYS A 91 3.777 -9.580 -4.594 1.00 0.87 C ATOM 1472 CE LYS A 91 5.189 -10.129 -4.660 1.00 0.78 C ATOM 1473 NZ LYS A 91 5.704 -10.166 -6.053 1.00 1.28 N ATOM 0 H LYS A 91 2.895 -13.886 -2.666 1.00 0.91 H new ATOM 0 HA LYS A 91 2.005 -13.302 -5.294 1.00 1.63 H new ATOM 0 HB2 LYS A 91 1.828 -11.742 -3.409 1.00 1.09 H new ATOM 0 HB3 LYS A 91 3.574 -11.655 -3.284 1.00 1.09 H new ATOM 0 HG2 LYS A 91 3.003 -11.022 -5.981 1.00 1.28 H new ATOM 0 HG3 LYS A 91 1.772 -10.193 -5.050 1.00 1.28 H new ATOM 0 HD2 LYS A 91 3.686 -8.719 -5.257 1.00 0.87 H new ATOM 0 HD3 LYS A 91 3.566 -9.229 -3.584 1.00 0.87 H new ATOM 0 HE2 LYS A 91 5.847 -9.514 -4.046 1.00 0.78 H new ATOM 0 HE3 LYS A 91 5.208 -11.134 -4.239 1.00 0.78 H new ATOM 0 HZ1 LYS A 91 6.730 -10.334 -6.039 1.00 1.28 H new ATOM 0 HZ2 LYS A 91 5.235 -10.932 -6.576 1.00 1.28 H new ATOM 0 HZ3 LYS A 91 5.508 -9.258 -6.520 1.00 1.28 H new ATOM 1487 N GLU A 92 5.180 -13.865 -4.870 1.00 2.69 N ATOM 1488 CA GLU A 92 6.470 -14.088 -5.528 1.00 3.81 C ATOM 1489 C GLU A 92 7.117 -12.765 -5.915 1.00 4.36 C ATOM 1490 O GLU A 92 7.124 -12.424 -7.114 1.00 4.92 O ATOM 1491 CB GLU A 92 6.316 -14.978 -6.766 1.00 4.66 C ATOM 1492 CG GLU A 92 5.727 -16.347 -6.473 1.00 5.75 C ATOM 1493 CD GLU A 92 5.737 -17.251 -7.688 1.00 6.58 C ATOM 1494 OE1 GLU A 92 4.957 -17.001 -8.629 1.00 7.09 O ATOM 1495 OE2 GLU A 92 6.542 -18.204 -7.715 1.00 7.00 O ATOM 1496 OXT GLU A 92 7.574 -12.048 -5.010 1.00 4.64 O ATOM 0 H GLU A 92 5.140 -14.217 -3.914 1.00 2.69 H new ATOM 0 HA GLU A 92 7.117 -14.600 -4.815 1.00 3.81 H new ATOM 0 HB2 GLU A 92 5.681 -14.468 -7.491 1.00 4.66 H new ATOM 0 HB3 GLU A 92 7.293 -15.106 -7.232 1.00 4.66 H new ATOM 0 HG2 GLU A 92 6.292 -16.818 -5.668 1.00 5.75 H new ATOM 0 HG3 GLU A 92 4.703 -16.231 -6.118 1.00 5.75 H new TER 1503 GLU A 92 ATOM 1504 N MET B 1 10.629 -4.851 12.148 1.00 4.70 N ATOM 1505 CA MET B 1 10.792 -3.979 13.335 1.00 4.22 C ATOM 1506 C MET B 1 9.832 -2.798 13.255 1.00 3.60 C ATOM 1507 O MET B 1 8.954 -2.765 12.391 1.00 4.04 O ATOM 1508 CB MET B 1 12.232 -3.457 13.416 1.00 4.51 C ATOM 1509 CG MET B 1 13.284 -4.546 13.523 1.00 5.00 C ATOM 1510 SD MET B 1 14.967 -3.897 13.450 1.00 5.79 S ATOM 1511 CE MET B 1 14.990 -2.832 14.890 1.00 6.42 C ATOM 0 H1 MET B 1 10.919 -5.821 12.387 1.00 4.70 H new ATOM 0 H2 MET B 1 9.632 -4.851 11.852 1.00 4.70 H new ATOM 0 H3 MET B 1 11.221 -4.494 11.371 1.00 4.70 H new ATOM 0 HA MET B 1 10.570 -4.566 14.227 1.00 4.22 H new ATOM 0 HB2 MET B 1 12.438 -2.854 12.532 1.00 4.51 H new ATOM 0 HB3 MET B 1 12.319 -2.797 14.279 1.00 4.51 H new ATOM 0 HG2 MET B 1 13.148 -5.087 14.460 1.00 5.00 H new ATOM 0 HG3 MET B 1 13.141 -5.265 12.716 1.00 5.00 H new ATOM 0 HE1 MET B 1 16.021 -2.586 15.144 1.00 6.42 H new ATOM 0 HE2 MET B 1 14.441 -1.916 14.674 1.00 6.42 H new ATOM 0 HE3 MET B 1 14.522 -3.346 15.730 1.00 6.42 H new ATOM 1523 N THR B 2 10.001 -1.849 14.176 1.00 3.07 N ATOM 1524 CA THR B 2 9.237 -0.602 14.198 1.00 2.91 C ATOM 1525 C THR B 2 7.741 -0.843 14.417 1.00 2.45 C ATOM 1526 O THR B 2 7.252 -0.765 15.546 1.00 3.04 O ATOM 1527 CB THR B 2 9.446 0.219 12.909 1.00 3.67 C ATOM 1528 OG1 THR B 2 10.820 0.157 12.508 1.00 4.26 O ATOM 1529 CG2 THR B 2 9.048 1.673 13.128 1.00 4.23 C ATOM 0 H THR B 2 10.678 -1.925 14.935 1.00 3.07 H new ATOM 0 HA THR B 2 9.619 -0.031 15.044 1.00 2.91 H new ATOM 0 HB THR B 2 8.817 -0.205 12.126 1.00 3.67 H new ATOM 0 HG1 THR B 2 10.877 -0.161 11.583 1.00 4.26 H new ATOM 0 HG21 THR B 2 9.203 2.235 12.207 1.00 4.23 H new ATOM 0 HG22 THR B 2 7.997 1.724 13.412 1.00 4.23 H new ATOM 0 HG23 THR B 2 9.659 2.102 13.922 1.00 4.23 H new ATOM 1537 N LYS B 3 7.026 -1.147 13.343 1.00 2.16 N ATOM 1538 CA LYS B 3 5.587 -1.344 13.411 1.00 2.53 C ATOM 1539 C LYS B 3 5.229 -2.744 12.913 1.00 2.08 C ATOM 1540 O LYS B 3 4.059 -3.105 12.807 1.00 2.81 O ATOM 1541 CB LYS B 3 4.876 -0.256 12.587 1.00 3.53 C ATOM 1542 CG LYS B 3 3.355 -0.244 12.719 1.00 4.29 C ATOM 1543 CD LYS B 3 2.882 -0.111 14.168 1.00 5.37 C ATOM 1544 CE LYS B 3 3.056 1.300 14.729 1.00 5.97 C ATOM 1545 NZ LYS B 3 4.476 1.645 15.016 1.00 6.04 N ATOM 0 H LYS B 3 7.422 -1.263 12.410 1.00 2.16 H new ATOM 0 HA LYS B 3 5.253 -1.260 14.445 1.00 2.53 H new ATOM 0 HB2 LYS B 3 5.260 0.718 12.889 1.00 3.53 H new ATOM 0 HB3 LYS B 3 5.134 -0.389 11.536 1.00 3.53 H new ATOM 0 HG2 LYS B 3 2.951 0.582 12.134 1.00 4.29 H new ATOM 0 HG3 LYS B 3 2.952 -1.163 12.294 1.00 4.29 H new ATOM 0 HD2 LYS B 3 1.831 -0.392 14.228 1.00 5.37 H new ATOM 0 HD3 LYS B 3 3.436 -0.814 14.791 1.00 5.37 H new ATOM 0 HE2 LYS B 3 2.650 2.020 14.018 1.00 5.97 H new ATOM 0 HE3 LYS B 3 2.473 1.394 15.645 1.00 5.97 H new ATOM 0 HZ1 LYS B 3 4.525 2.223 15.879 1.00 6.04 H new ATOM 0 HZ2 LYS B 3 5.025 0.772 15.153 1.00 6.04 H new ATOM 0 HZ3 LYS B 3 4.871 2.181 14.217 1.00 6.04 H new ATOM 1559 N LEU B 4 6.262 -3.523 12.605 1.00 1.61 N ATOM 1560 CA LEU B 4 6.103 -4.916 12.192 1.00 1.98 C ATOM 1561 C LEU B 4 5.209 -5.031 10.957 1.00 1.51 C ATOM 1562 O LEU B 4 5.214 -4.148 10.099 1.00 2.03 O ATOM 1563 CB LEU B 4 5.540 -5.748 13.348 1.00 3.02 C ATOM 1564 CG LEU B 4 6.372 -5.717 14.630 1.00 3.80 C ATOM 1565 CD1 LEU B 4 5.710 -6.542 15.718 1.00 4.50 C ATOM 1566 CD2 LEU B 4 7.783 -6.219 14.363 1.00 4.44 C ATOM 0 H LEU B 4 7.232 -3.208 12.634 1.00 1.61 H new ATOM 0 HA LEU B 4 7.085 -5.306 11.925 1.00 1.98 H new ATOM 0 HB2 LEU B 4 4.535 -5.393 13.576 1.00 3.02 H new ATOM 0 HB3 LEU B 4 5.445 -6.783 13.019 1.00 3.02 H new ATOM 0 HG LEU B 4 6.433 -4.684 14.973 1.00 3.80 H new ATOM 0 HD11 LEU B 4 6.318 -6.507 16.622 1.00 4.50 H new ATOM 0 HD12 LEU B 4 4.720 -6.137 15.930 1.00 4.50 H new ATOM 0 HD13 LEU B 4 5.615 -7.575 15.384 1.00 4.50 H new ATOM 0 HD21 LEU B 4 8.361 -6.190 15.287 1.00 4.44 H new ATOM 0 HD22 LEU B 4 7.741 -7.244 13.994 1.00 4.44 H new ATOM 0 HD23 LEU B 4 8.260 -5.584 13.617 1.00 4.44 H new ATOM 1578 N GLU B 5 4.438 -6.107 10.868 1.00 1.20 N ATOM 1579 CA GLU B 5 3.577 -6.332 9.714 1.00 0.94 C ATOM 1580 C GLU B 5 2.261 -5.578 9.856 1.00 0.69 C ATOM 1581 O GLU B 5 1.441 -5.580 8.938 1.00 0.69 O ATOM 1582 CB GLU B 5 3.292 -7.821 9.547 1.00 1.39 C ATOM 1583 CG GLU B 5 4.542 -8.670 9.426 1.00 1.80 C ATOM 1584 CD GLU B 5 4.221 -10.139 9.292 1.00 2.48 C ATOM 1585 OE1 GLU B 5 3.951 -10.591 8.165 1.00 3.00 O ATOM 1586 OE2 GLU B 5 4.221 -10.845 10.324 1.00 3.10 O ATOM 0 H GLU B 5 4.391 -6.836 11.579 1.00 1.20 H new ATOM 0 HA GLU B 5 4.100 -5.961 8.833 1.00 0.94 H new ATOM 0 HB2 GLU B 5 2.709 -8.168 10.400 1.00 1.39 H new ATOM 0 HB3 GLU B 5 2.677 -7.967 8.659 1.00 1.39 H new ATOM 0 HG2 GLU B 5 5.118 -8.345 8.560 1.00 1.80 H new ATOM 0 HG3 GLU B 5 5.171 -8.515 10.303 1.00 1.80 H new ATOM 1593 N GLU B 6 2.089 -4.909 10.992 1.00 0.68 N ATOM 1594 CA GLU B 6 0.834 -4.236 11.332 1.00 0.67 C ATOM 1595 C GLU B 6 0.384 -3.259 10.239 1.00 0.54 C ATOM 1596 O GLU B 6 -0.804 -3.010 10.072 1.00 0.60 O ATOM 1597 CB GLU B 6 0.993 -3.496 12.661 1.00 0.78 C ATOM 1598 CG GLU B 6 -0.299 -2.911 13.203 1.00 1.06 C ATOM 1599 CD GLU B 6 -1.316 -3.971 13.565 1.00 1.78 C ATOM 1600 OE1 GLU B 6 -1.174 -4.592 14.638 1.00 2.48 O ATOM 1601 OE2 GLU B 6 -2.277 -4.171 12.795 1.00 2.51 O ATOM 0 H GLU B 6 2.813 -4.817 11.704 1.00 0.68 H new ATOM 0 HA GLU B 6 0.062 -5.001 11.420 1.00 0.67 H new ATOM 0 HB2 GLU B 6 1.406 -4.183 13.400 1.00 0.78 H new ATOM 0 HB3 GLU B 6 1.718 -2.692 12.532 1.00 0.78 H new ATOM 0 HG2 GLU B 6 -0.078 -2.309 14.085 1.00 1.06 H new ATOM 0 HG3 GLU B 6 -0.729 -2.240 12.459 1.00 1.06 H new ATOM 1608 N HIS B 7 1.327 -2.705 9.491 1.00 0.42 N ATOM 1609 CA HIS B 7 0.967 -1.794 8.407 1.00 0.38 C ATOM 1610 C HIS B 7 0.351 -2.541 7.216 1.00 0.35 C ATOM 1611 O HIS B 7 -0.662 -2.108 6.670 1.00 0.39 O ATOM 1612 CB HIS B 7 2.154 -0.912 7.966 1.00 0.43 C ATOM 1613 CG HIS B 7 3.499 -1.587 7.893 1.00 0.95 C ATOM 1614 ND1 HIS B 7 4.673 -0.935 8.202 1.00 1.73 N ATOM 1615 CD2 HIS B 7 3.863 -2.839 7.525 1.00 1.60 C ATOM 1616 CE1 HIS B 7 5.692 -1.755 8.026 1.00 2.16 C ATOM 1617 NE2 HIS B 7 5.229 -2.916 7.615 1.00 2.03 N ATOM 0 H HIS B 7 2.328 -2.863 9.608 1.00 0.42 H new ATOM 0 HA HIS B 7 0.204 -1.125 8.804 1.00 0.38 H new ATOM 0 HB2 HIS B 7 1.926 -0.498 6.984 1.00 0.43 H new ATOM 0 HB3 HIS B 7 2.230 -0.072 8.656 1.00 0.43 H new ATOM 0 HD1 HIS B 7 4.744 0.032 8.518 1.00 1.73 H new ATOM 0 HD2 HIS B 7 3.198 -3.632 7.217 1.00 1.60 H new ATOM 0 HE1 HIS B 7 6.732 -1.514 8.192 1.00 2.16 H new ATOM 1626 N LEU B 8 0.930 -3.681 6.848 1.00 0.34 N ATOM 1627 CA LEU B 8 0.448 -4.455 5.705 1.00 0.33 C ATOM 1628 C LEU B 8 -0.749 -5.293 6.111 1.00 0.34 C ATOM 1629 O LEU B 8 -1.840 -5.169 5.556 1.00 0.34 O ATOM 1630 CB LEU B 8 1.543 -5.386 5.190 1.00 0.33 C ATOM 1631 CG LEU B 8 2.792 -4.695 4.648 1.00 0.33 C ATOM 1632 CD1 LEU B 8 3.830 -5.721 4.253 1.00 0.33 C ATOM 1633 CD2 LEU B 8 2.445 -3.807 3.465 1.00 0.33 C ATOM 0 H LEU B 8 1.734 -4.090 7.324 1.00 0.34 H new ATOM 0 HA LEU B 8 0.164 -3.756 4.919 1.00 0.33 H new ATOM 0 HB2 LEU B 8 1.840 -6.052 6.000 1.00 0.33 H new ATOM 0 HB3 LEU B 8 1.123 -6.011 4.401 1.00 0.33 H new ATOM 0 HG LEU B 8 3.206 -4.066 5.436 1.00 0.33 H new ATOM 0 HD11 LEU B 8 4.715 -5.214 3.868 1.00 0.33 H new ATOM 0 HD12 LEU B 8 4.103 -6.316 5.124 1.00 0.33 H new ATOM 0 HD13 LEU B 8 3.421 -6.373 3.481 1.00 0.33 H new ATOM 0 HD21 LEU B 8 3.349 -3.324 3.095 1.00 0.33 H new ATOM 0 HD22 LEU B 8 2.006 -4.412 2.672 1.00 0.33 H new ATOM 0 HD23 LEU B 8 1.730 -3.046 3.779 1.00 0.33 H new ATOM 1645 N GLU B 9 -0.524 -6.134 7.106 1.00 0.37 N ATOM 1646 CA GLU B 9 -1.532 -7.059 7.578 1.00 0.40 C ATOM 1647 C GLU B 9 -2.665 -6.296 8.250 1.00 0.40 C ATOM 1648 O GLU B 9 -3.805 -6.755 8.278 1.00 0.42 O ATOM 1649 CB GLU B 9 -0.898 -8.049 8.553 1.00 0.48 C ATOM 1650 CG GLU B 9 -1.707 -9.313 8.749 1.00 1.24 C ATOM 1651 CD GLU B 9 -1.092 -10.235 9.779 1.00 1.72 C ATOM 1652 OE1 GLU B 9 -0.105 -10.924 9.460 1.00 2.16 O ATOM 1653 OE2 GLU B 9 -1.595 -10.276 10.918 1.00 2.41 O ATOM 0 H GLU B 9 0.363 -6.192 7.607 1.00 0.37 H new ATOM 0 HA GLU B 9 -1.944 -7.611 6.733 1.00 0.40 H new ATOM 0 HB2 GLU B 9 0.095 -8.316 8.191 1.00 0.48 H new ATOM 0 HB3 GLU B 9 -0.765 -7.560 9.518 1.00 0.48 H new ATOM 0 HG2 GLU B 9 -2.719 -9.050 9.058 1.00 1.24 H new ATOM 0 HG3 GLU B 9 -1.791 -9.839 7.798 1.00 1.24 H new ATOM 1660 N GLY B 10 -2.336 -5.122 8.778 1.00 0.41 N ATOM 1661 CA GLY B 10 -3.335 -4.261 9.376 1.00 0.43 C ATOM 1662 C GLY B 10 -4.277 -3.690 8.342 1.00 0.39 C ATOM 1663 O GLY B 10 -5.483 -3.668 8.552 1.00 0.44 O ATOM 0 H GLY B 10 -1.386 -4.751 8.801 1.00 0.41 H new ATOM 0 HA2 GLY B 10 -3.905 -4.824 10.115 1.00 0.43 H new ATOM 0 HA3 GLY B 10 -2.842 -3.447 9.907 1.00 0.43 H new ATOM 1667 N ILE B 11 -3.725 -3.223 7.221 1.00 0.34 N ATOM 1668 CA ILE B 11 -4.545 -2.786 6.093 1.00 0.33 C ATOM 1669 C ILE B 11 -5.498 -3.903 5.678 1.00 0.33 C ATOM 1670 O ILE B 11 -6.702 -3.694 5.512 1.00 0.38 O ATOM 1671 CB ILE B 11 -3.659 -2.384 4.887 1.00 0.36 C ATOM 1672 CG1 ILE B 11 -3.148 -0.949 5.043 1.00 0.41 C ATOM 1673 CG2 ILE B 11 -4.407 -2.546 3.572 1.00 0.50 C ATOM 1674 CD1 ILE B 11 -4.236 0.103 4.945 1.00 1.16 C ATOM 0 H ILE B 11 -2.720 -3.138 7.071 1.00 0.34 H new ATOM 0 HA ILE B 11 -5.119 -1.914 6.407 1.00 0.33 H new ATOM 0 HB ILE B 11 -2.801 -3.056 4.868 1.00 0.36 H new ATOM 0 HG12 ILE B 11 -2.650 -0.854 6.008 1.00 0.41 H new ATOM 0 HG13 ILE B 11 -2.398 -0.755 4.276 1.00 0.41 H new ATOM 0 HG21 ILE B 11 -3.758 -2.256 2.746 1.00 0.50 H new ATOM 0 HG22 ILE B 11 -4.707 -3.587 3.450 1.00 0.50 H new ATOM 0 HG23 ILE B 11 -5.293 -1.912 3.577 1.00 0.50 H new ATOM 0 HD11 ILE B 11 -3.797 1.093 5.065 1.00 1.16 H new ATOM 0 HD12 ILE B 11 -4.720 0.037 3.970 1.00 1.16 H new ATOM 0 HD13 ILE B 11 -4.975 -0.064 5.729 1.00 1.16 H new ATOM 1686 N VAL B 12 -4.936 -5.091 5.545 1.00 0.33 N ATOM 1687 CA VAL B 12 -5.681 -6.271 5.144 1.00 0.38 C ATOM 1688 C VAL B 12 -6.771 -6.617 6.160 1.00 0.40 C ATOM 1689 O VAL B 12 -7.897 -6.955 5.789 1.00 0.46 O ATOM 1690 CB VAL B 12 -4.708 -7.451 4.967 1.00 0.45 C ATOM 1691 CG1 VAL B 12 -5.442 -8.760 4.741 1.00 0.57 C ATOM 1692 CG2 VAL B 12 -3.769 -7.159 3.811 1.00 0.48 C ATOM 0 H VAL B 12 -3.945 -5.265 5.713 1.00 0.33 H new ATOM 0 HA VAL B 12 -6.178 -6.064 4.196 1.00 0.38 H new ATOM 0 HB VAL B 12 -4.134 -7.562 5.887 1.00 0.45 H new ATOM 0 HG11 VAL B 12 -4.719 -9.567 4.621 1.00 0.57 H new ATOM 0 HG12 VAL B 12 -6.082 -8.971 5.598 1.00 0.57 H new ATOM 0 HG13 VAL B 12 -6.053 -8.684 3.842 1.00 0.57 H new ATOM 0 HG21 VAL B 12 -3.079 -7.993 3.683 1.00 0.48 H new ATOM 0 HG22 VAL B 12 -4.348 -7.024 2.897 1.00 0.48 H new ATOM 0 HG23 VAL B 12 -3.205 -6.250 4.021 1.00 0.48 H new ATOM 1702 N ASN B 13 -6.436 -6.498 7.437 1.00 0.42 N ATOM 1703 CA ASN B 13 -7.367 -6.820 8.512 1.00 0.49 C ATOM 1704 C ASN B 13 -8.446 -5.747 8.646 1.00 0.48 C ATOM 1705 O ASN B 13 -9.557 -6.030 9.082 1.00 0.59 O ATOM 1706 CB ASN B 13 -6.612 -6.986 9.835 1.00 0.62 C ATOM 1707 CG ASN B 13 -7.506 -7.436 10.978 1.00 0.75 C ATOM 1708 OD1 ASN B 13 -8.514 -8.121 10.775 1.00 1.31 O ATOM 1709 ND2 ASN B 13 -7.126 -7.077 12.193 1.00 1.42 N ATOM 0 H ASN B 13 -5.521 -6.179 7.756 1.00 0.42 H new ATOM 0 HA ASN B 13 -7.858 -7.761 8.265 1.00 0.49 H new ATOM 0 HB2 ASN B 13 -5.811 -7.712 9.701 1.00 0.62 H new ATOM 0 HB3 ASN B 13 -6.142 -6.039 10.100 1.00 0.62 H new ATOM 0 HD21 ASN B 13 -7.672 -7.366 13.004 1.00 1.42 H new ATOM 0 HD22 ASN B 13 -6.287 -6.511 12.318 1.00 1.42 H new ATOM 1716 N ILE B 14 -8.121 -4.517 8.262 1.00 0.48 N ATOM 1717 CA ILE B 14 -9.091 -3.427 8.295 1.00 0.57 C ATOM 1718 C ILE B 14 -10.092 -3.558 7.149 1.00 0.53 C ATOM 1719 O ILE B 14 -11.281 -3.259 7.307 1.00 0.61 O ATOM 1720 CB ILE B 14 -8.398 -2.045 8.266 1.00 0.68 C ATOM 1721 CG1 ILE B 14 -7.659 -1.817 9.588 1.00 1.33 C ATOM 1722 CG2 ILE B 14 -9.405 -0.927 8.013 1.00 1.13 C ATOM 1723 CD1 ILE B 14 -6.955 -0.485 9.682 1.00 2.06 C ATOM 0 H ILE B 14 -7.196 -4.250 7.925 1.00 0.48 H new ATOM 0 HA ILE B 14 -9.635 -3.500 9.237 1.00 0.57 H new ATOM 0 HB ILE B 14 -7.681 -2.031 7.445 1.00 0.68 H new ATOM 0 HG12 ILE B 14 -8.372 -1.897 10.408 1.00 1.33 H new ATOM 0 HG13 ILE B 14 -6.927 -2.613 9.724 1.00 1.33 H new ATOM 0 HG21 ILE B 14 -8.888 0.032 7.998 1.00 1.13 H new ATOM 0 HG22 ILE B 14 -9.896 -1.090 7.053 1.00 1.13 H new ATOM 0 HG23 ILE B 14 -10.152 -0.924 8.807 1.00 1.13 H new ATOM 0 HD11 ILE B 14 -6.457 -0.404 10.648 1.00 2.06 H new ATOM 0 HD12 ILE B 14 -6.215 -0.407 8.885 1.00 2.06 H new ATOM 0 HD13 ILE B 14 -7.683 0.319 9.581 1.00 2.06 H new ATOM 1735 N PHE B 15 -9.625 -4.036 6.000 1.00 0.48 N ATOM 1736 CA PHE B 15 -10.537 -4.350 4.910 1.00 0.59 C ATOM 1737 C PHE B 15 -11.473 -5.463 5.363 1.00 0.61 C ATOM 1738 O PHE B 15 -12.675 -5.426 5.115 1.00 0.70 O ATOM 1739 CB PHE B 15 -9.771 -4.776 3.654 1.00 0.69 C ATOM 1740 CG PHE B 15 -10.654 -4.957 2.449 1.00 1.18 C ATOM 1741 CD1 PHE B 15 -11.161 -3.855 1.777 1.00 1.75 C ATOM 1742 CD2 PHE B 15 -10.982 -6.223 1.993 1.00 1.93 C ATOM 1743 CE1 PHE B 15 -11.975 -4.013 0.673 1.00 2.35 C ATOM 1744 CE2 PHE B 15 -11.796 -6.386 0.888 1.00 2.54 C ATOM 1745 CZ PHE B 15 -12.293 -5.281 0.227 1.00 2.58 C ATOM 0 H PHE B 15 -8.640 -4.211 5.803 1.00 0.48 H new ATOM 0 HA PHE B 15 -11.112 -3.460 4.656 1.00 0.59 H new ATOM 0 HB2 PHE B 15 -9.011 -4.028 3.429 1.00 0.69 H new ATOM 0 HB3 PHE B 15 -9.248 -5.711 3.856 1.00 0.69 H new ATOM 0 HD1 PHE B 15 -10.916 -2.861 2.121 1.00 1.75 H new ATOM 0 HD2 PHE B 15 -10.598 -7.092 2.506 1.00 1.93 H new ATOM 0 HE1 PHE B 15 -12.363 -3.146 0.159 1.00 2.35 H new ATOM 0 HE2 PHE B 15 -12.043 -7.379 0.542 1.00 2.54 H new ATOM 0 HZ PHE B 15 -12.929 -5.407 -0.637 1.00 2.58 H new ATOM 1755 N HIS B 16 -10.896 -6.430 6.067 1.00 0.60 N ATOM 1756 CA HIS B 16 -11.648 -7.525 6.670 1.00 0.72 C ATOM 1757 C HIS B 16 -12.554 -7.015 7.798 1.00 0.75 C ATOM 1758 O HIS B 16 -13.534 -7.665 8.162 1.00 0.88 O ATOM 1759 CB HIS B 16 -10.661 -8.582 7.196 1.00 0.77 C ATOM 1760 CG HIS B 16 -11.264 -9.618 8.099 1.00 1.16 C ATOM 1761 ND1 HIS B 16 -10.880 -9.778 9.413 1.00 1.82 N ATOM 1762 CD2 HIS B 16 -12.224 -10.546 7.874 1.00 1.85 C ATOM 1763 CE1 HIS B 16 -11.577 -10.758 9.957 1.00 2.22 C ATOM 1764 NE2 HIS B 16 -12.400 -11.241 9.044 1.00 2.23 N ATOM 0 H HIS B 16 -9.891 -6.477 6.236 1.00 0.60 H new ATOM 0 HA HIS B 16 -12.292 -7.976 5.915 1.00 0.72 H new ATOM 0 HB2 HIS B 16 -10.203 -9.086 6.345 1.00 0.77 H new ATOM 0 HB3 HIS B 16 -9.860 -8.074 7.734 1.00 0.77 H new ATOM 0 HD1 HIS B 16 -10.168 -9.225 9.891 1.00 1.82 H new ATOM 0 HD2 HIS B 16 -12.753 -10.709 6.946 1.00 1.85 H new ATOM 0 HE1 HIS B 16 -11.489 -11.106 10.976 1.00 2.22 H new ATOM 1773 N GLN B 17 -12.220 -5.854 8.345 1.00 0.70 N ATOM 1774 CA GLN B 17 -12.981 -5.279 9.444 1.00 0.82 C ATOM 1775 C GLN B 17 -14.364 -4.851 8.974 1.00 0.93 C ATOM 1776 O GLN B 17 -15.369 -5.203 9.593 1.00 1.18 O ATOM 1777 CB GLN B 17 -12.232 -4.092 10.060 1.00 0.85 C ATOM 1778 CG GLN B 17 -12.947 -3.451 11.242 1.00 1.27 C ATOM 1779 CD GLN B 17 -13.172 -4.416 12.393 1.00 1.99 C ATOM 1780 OE1 GLN B 17 -12.404 -5.355 12.595 1.00 2.60 O ATOM 1781 NE2 GLN B 17 -14.231 -4.191 13.153 1.00 2.77 N ATOM 0 H GLN B 17 -11.424 -5.291 8.044 1.00 0.70 H new ATOM 0 HA GLN B 17 -13.100 -6.044 10.211 1.00 0.82 H new ATOM 0 HB2 GLN B 17 -11.246 -4.427 10.383 1.00 0.85 H new ATOM 0 HB3 GLN B 17 -12.075 -3.336 9.290 1.00 0.85 H new ATOM 0 HG2 GLN B 17 -12.363 -2.602 11.596 1.00 1.27 H new ATOM 0 HG3 GLN B 17 -13.909 -3.060 10.909 1.00 1.27 H new ATOM 0 HE21 GLN B 17 -14.844 -3.401 12.952 1.00 2.77 H new ATOM 0 HE22 GLN B 17 -14.434 -4.808 13.940 1.00 2.77 H new ATOM 1790 N TYR B 18 -14.430 -4.103 7.877 1.00 0.85 N ATOM 1791 CA TYR B 18 -15.725 -3.683 7.365 1.00 1.08 C ATOM 1792 C TYR B 18 -16.317 -4.735 6.432 1.00 1.34 C ATOM 1793 O TYR B 18 -17.493 -5.077 6.543 1.00 1.77 O ATOM 1794 CB TYR B 18 -15.640 -2.335 6.648 1.00 1.22 C ATOM 1795 CG TYR B 18 -17.004 -1.789 6.293 1.00 2.34 C ATOM 1796 CD1 TYR B 18 -17.816 -1.224 7.267 1.00 3.14 C ATOM 1797 CD2 TYR B 18 -17.493 -1.866 4.996 1.00 3.25 C ATOM 1798 CE1 TYR B 18 -19.073 -0.746 6.959 1.00 4.38 C ATOM 1799 CE2 TYR B 18 -18.751 -1.391 4.682 1.00 4.48 C ATOM 1800 CZ TYR B 18 -19.536 -0.832 5.665 1.00 4.93 C ATOM 1801 OH TYR B 18 -20.792 -0.362 5.354 1.00 6.25 O ATOM 0 H TYR B 18 -13.624 -3.783 7.339 1.00 0.85 H new ATOM 0 HA TYR B 18 -16.384 -3.569 8.226 1.00 1.08 H new ATOM 0 HB2 TYR B 18 -15.119 -1.620 7.284 1.00 1.22 H new ATOM 0 HB3 TYR B 18 -15.047 -2.445 5.740 1.00 1.22 H new ATOM 0 HD1 TYR B 18 -17.457 -1.157 8.284 1.00 3.14 H new ATOM 0 HD2 TYR B 18 -16.881 -2.304 4.221 1.00 3.25 H new ATOM 0 HE1 TYR B 18 -19.690 -0.307 7.729 1.00 4.38 H new ATOM 0 HE2 TYR B 18 -19.118 -1.458 3.668 1.00 4.48 H new ATOM 0 HH TYR B 18 -20.964 -0.497 4.399 1.00 6.25 H new ATOM 1811 N SER B 19 -15.503 -5.253 5.523 1.00 1.32 N ATOM 1812 CA SER B 19 -15.977 -6.231 4.558 1.00 1.78 C ATOM 1813 C SER B 19 -16.215 -7.575 5.239 1.00 1.86 C ATOM 1814 O SER B 19 -15.407 -8.026 6.054 1.00 2.32 O ATOM 1815 CB SER B 19 -14.971 -6.380 3.411 1.00 2.38 C ATOM 1816 OG SER B 19 -15.458 -7.250 2.403 1.00 3.02 O ATOM 0 H SER B 19 -14.516 -5.013 5.435 1.00 1.32 H new ATOM 0 HA SER B 19 -16.923 -5.882 4.144 1.00 1.78 H new ATOM 0 HB2 SER B 19 -14.763 -5.401 2.979 1.00 2.38 H new ATOM 0 HB3 SER B 19 -14.028 -6.764 3.800 1.00 2.38 H new ATOM 0 HG SER B 19 -14.709 -7.576 1.862 1.00 3.02 H new ATOM 1822 N VAL B 20 -17.338 -8.198 4.922 1.00 2.11 N ATOM 1823 CA VAL B 20 -17.686 -9.481 5.506 1.00 2.49 C ATOM 1824 C VAL B 20 -17.112 -10.622 4.667 1.00 2.64 C ATOM 1825 O VAL B 20 -17.193 -10.607 3.436 1.00 3.25 O ATOM 1826 CB VAL B 20 -19.222 -9.638 5.648 1.00 3.30 C ATOM 1827 CG1 VAL B 20 -19.921 -9.499 4.301 1.00 3.90 C ATOM 1828 CG2 VAL B 20 -19.572 -10.968 6.301 1.00 4.12 C ATOM 0 H VAL B 20 -18.025 -7.834 4.262 1.00 2.11 H new ATOM 0 HA VAL B 20 -17.250 -9.522 6.504 1.00 2.49 H new ATOM 0 HB VAL B 20 -19.578 -8.835 6.293 1.00 3.30 H new ATOM 0 HG11 VAL B 20 -20.997 -9.614 4.436 1.00 3.90 H new ATOM 0 HG12 VAL B 20 -19.711 -8.515 3.882 1.00 3.90 H new ATOM 0 HG13 VAL B 20 -19.556 -10.268 3.621 1.00 3.90 H new ATOM 0 HG21 VAL B 20 -20.655 -11.056 6.390 1.00 4.12 H new ATOM 0 HG22 VAL B 20 -19.191 -11.785 5.689 1.00 4.12 H new ATOM 0 HG23 VAL B 20 -19.121 -11.016 7.292 1.00 4.12 H new ATOM 1838 N ARG B 21 -16.504 -11.595 5.332 1.00 2.81 N ATOM 1839 CA ARG B 21 -15.967 -12.758 4.647 1.00 3.56 C ATOM 1840 C ARG B 21 -17.099 -13.690 4.231 1.00 3.97 C ATOM 1841 O ARG B 21 -17.450 -14.628 4.948 1.00 4.56 O ATOM 1842 CB ARG B 21 -14.953 -13.497 5.533 1.00 4.19 C ATOM 1843 CG ARG B 21 -14.460 -14.816 4.947 1.00 4.83 C ATOM 1844 CD ARG B 21 -13.719 -14.620 3.634 1.00 5.37 C ATOM 1845 NE ARG B 21 -12.420 -13.981 3.825 1.00 5.88 N ATOM 1846 CZ ARG B 21 -11.431 -14.021 2.934 1.00 6.57 C ATOM 1847 NH1 ARG B 21 -11.607 -14.614 1.760 1.00 6.84 N ATOM 1848 NH2 ARG B 21 -10.267 -13.458 3.216 1.00 7.28 N ATOM 0 H ARG B 21 -16.372 -11.600 6.343 1.00 2.81 H new ATOM 0 HA ARG B 21 -15.445 -12.421 3.752 1.00 3.56 H new ATOM 0 HB2 ARG B 21 -14.096 -12.846 5.707 1.00 4.19 H new ATOM 0 HB3 ARG B 21 -15.408 -13.691 6.504 1.00 4.19 H new ATOM 0 HG2 ARG B 21 -13.802 -15.307 5.664 1.00 4.83 H new ATOM 0 HG3 ARG B 21 -15.309 -15.481 4.787 1.00 4.83 H new ATOM 0 HD2 ARG B 21 -13.579 -15.586 3.150 1.00 5.37 H new ATOM 0 HD3 ARG B 21 -14.326 -14.012 2.963 1.00 5.37 H new ATOM 0 HE ARG B 21 -12.260 -13.473 4.695 1.00 5.88 H new ATOM 0 HH11 ARG B 21 -12.505 -15.043 1.535 1.00 6.84 H new ATOM 0 HH12 ARG B 21 -10.845 -14.641 1.083 1.00 6.84 H new ATOM 0 HH21 ARG B 21 -10.129 -12.995 4.114 1.00 7.28 H new ATOM 0 HH22 ARG B 21 -9.508 -13.487 2.535 1.00 7.28 H new ATOM 1862 N LYS B 22 -17.691 -13.399 3.086 1.00 4.14 N ATOM 1863 CA LYS B 22 -18.693 -14.275 2.507 1.00 4.91 C ATOM 1864 C LYS B 22 -17.998 -15.386 1.731 1.00 5.05 C ATOM 1865 O LYS B 22 -18.197 -16.571 2.002 1.00 5.59 O ATOM 1866 CB LYS B 22 -19.630 -13.484 1.590 1.00 5.69 C ATOM 1867 CG LYS B 22 -20.748 -14.321 0.994 1.00 6.45 C ATOM 1868 CD LYS B 22 -21.620 -13.501 0.059 1.00 7.33 C ATOM 1869 CE LYS B 22 -22.699 -14.352 -0.591 1.00 8.20 C ATOM 1870 NZ LYS B 22 -22.123 -15.487 -1.360 1.00 8.71 N ATOM 0 H LYS B 22 -17.494 -12.561 2.538 1.00 4.14 H new ATOM 0 HA LYS B 22 -19.294 -14.714 3.304 1.00 4.91 H new ATOM 0 HB2 LYS B 22 -20.066 -12.660 2.154 1.00 5.69 H new ATOM 0 HB3 LYS B 22 -19.047 -13.044 0.781 1.00 5.69 H new ATOM 0 HG2 LYS B 22 -20.322 -15.164 0.450 1.00 6.45 H new ATOM 0 HG3 LYS B 22 -21.361 -14.735 1.795 1.00 6.45 H new ATOM 0 HD2 LYS B 22 -22.084 -12.686 0.615 1.00 7.33 H new ATOM 0 HD3 LYS B 22 -20.999 -13.047 -0.714 1.00 7.33 H new ATOM 0 HE2 LYS B 22 -23.369 -14.737 0.177 1.00 8.20 H new ATOM 0 HE3 LYS B 22 -23.300 -13.731 -1.256 1.00 8.20 H new ATOM 0 HZ1 LYS B 22 -22.751 -15.722 -2.155 1.00 8.71 H new ATOM 0 HZ2 LYS B 22 -21.187 -15.219 -1.726 1.00 8.71 H new ATOM 0 HZ3 LYS B 22 -22.028 -16.315 -0.738 1.00 8.71 H new ATOM 1884 N GLY B 23 -17.166 -14.992 0.779 1.00 4.89 N ATOM 1885 CA GLY B 23 -16.394 -15.949 0.019 1.00 5.27 C ATOM 1886 C GLY B 23 -15.034 -15.406 -0.359 1.00 5.26 C ATOM 1887 O GLY B 23 -14.141 -15.304 0.484 1.00 5.68 O ATOM 0 H GLY B 23 -17.012 -14.018 0.519 1.00 4.89 H new ATOM 0 HA2 GLY B 23 -16.271 -16.861 0.603 1.00 5.27 H new ATOM 0 HA3 GLY B 23 -16.940 -16.220 -0.884 1.00 5.27 H new ATOM 1891 N HIS B 24 -14.877 -15.045 -1.622 1.00 5.16 N ATOM 1892 CA HIS B 24 -13.624 -14.490 -2.112 1.00 5.45 C ATOM 1893 C HIS B 24 -13.865 -13.148 -2.790 1.00 5.00 C ATOM 1894 O HIS B 24 -13.506 -12.101 -2.254 1.00 5.43 O ATOM 1895 CB HIS B 24 -12.932 -15.456 -3.085 1.00 6.30 C ATOM 1896 CG HIS B 24 -12.302 -16.643 -2.419 1.00 6.93 C ATOM 1897 ND1 HIS B 24 -10.939 -16.820 -2.336 1.00 7.56 N ATOM 1898 CD2 HIS B 24 -12.853 -17.717 -1.805 1.00 7.35 C ATOM 1899 CE1 HIS B 24 -10.680 -17.946 -1.702 1.00 8.27 C ATOM 1900 NE2 HIS B 24 -11.823 -18.512 -1.368 1.00 8.17 N ATOM 0 H HIS B 24 -15.606 -15.127 -2.331 1.00 5.16 H new ATOM 0 HA HIS B 24 -12.967 -14.341 -1.255 1.00 5.45 H new ATOM 0 HB2 HIS B 24 -13.662 -15.806 -3.814 1.00 6.30 H new ATOM 0 HB3 HIS B 24 -12.165 -14.912 -3.637 1.00 6.30 H new ATOM 0 HD2 HIS B 24 -13.908 -17.912 -1.682 1.00 7.35 H new ATOM 0 HE1 HIS B 24 -9.696 -18.339 -1.491 1.00 8.27 H new ATOM 0 HE2 HIS B 24 -11.925 -19.395 -0.867 1.00 8.17 H new ATOM 1909 N PHE B 25 -14.485 -13.183 -3.962 1.00 4.49 N ATOM 1910 CA PHE B 25 -14.768 -11.969 -4.715 1.00 4.32 C ATOM 1911 C PHE B 25 -16.232 -11.940 -5.129 1.00 3.72 C ATOM 1912 O PHE B 25 -16.557 -11.852 -6.313 1.00 3.96 O ATOM 1913 CB PHE B 25 -13.867 -11.878 -5.952 1.00 4.90 C ATOM 1914 CG PHE B 25 -12.402 -11.940 -5.632 1.00 5.62 C ATOM 1915 CD1 PHE B 25 -11.769 -10.873 -5.016 1.00 6.16 C ATOM 1916 CD2 PHE B 25 -11.659 -13.068 -5.938 1.00 6.16 C ATOM 1917 CE1 PHE B 25 -10.423 -10.932 -4.713 1.00 7.10 C ATOM 1918 CE2 PHE B 25 -10.314 -13.132 -5.636 1.00 7.09 C ATOM 1919 CZ PHE B 25 -9.695 -12.062 -5.023 1.00 7.50 C ATOM 0 H PHE B 25 -14.802 -14.041 -4.413 1.00 4.49 H new ATOM 0 HA PHE B 25 -14.563 -11.110 -4.076 1.00 4.32 H new ATOM 0 HB2 PHE B 25 -14.116 -12.691 -6.634 1.00 4.90 H new ATOM 0 HB3 PHE B 25 -14.077 -10.946 -6.477 1.00 4.90 H new ATOM 0 HD1 PHE B 25 -12.334 -9.986 -4.770 1.00 6.16 H new ATOM 0 HD2 PHE B 25 -12.138 -13.908 -6.419 1.00 6.16 H new ATOM 0 HE1 PHE B 25 -9.940 -10.093 -4.233 1.00 7.10 H new ATOM 0 HE2 PHE B 25 -9.747 -14.018 -5.879 1.00 7.09 H new ATOM 0 HZ PHE B 25 -8.642 -12.109 -4.786 1.00 7.50 H new ATOM 1929 N ASP B 26 -17.110 -12.038 -4.138 1.00 3.50 N ATOM 1930 CA ASP B 26 -18.547 -12.024 -4.378 1.00 3.49 C ATOM 1931 C ASP B 26 -18.991 -10.667 -4.901 1.00 3.06 C ATOM 1932 O ASP B 26 -19.601 -10.568 -5.964 1.00 3.62 O ATOM 1933 CB ASP B 26 -19.310 -12.368 -3.092 1.00 4.40 C ATOM 1934 CG ASP B 26 -19.060 -13.791 -2.632 1.00 5.10 C ATOM 1935 OD1 ASP B 26 -17.933 -14.084 -2.189 1.00 5.62 O ATOM 1936 OD2 ASP B 26 -19.987 -14.624 -2.722 1.00 5.49 O ATOM 0 H ASP B 26 -16.850 -12.128 -3.156 1.00 3.50 H new ATOM 0 HA ASP B 26 -18.773 -12.778 -5.132 1.00 3.49 H new ATOM 0 HB2 ASP B 26 -19.015 -11.677 -2.302 1.00 4.40 H new ATOM 0 HB3 ASP B 26 -20.378 -12.225 -3.258 1.00 4.40 H new ATOM 1941 N THR B 27 -18.675 -9.617 -4.155 1.00 2.56 N ATOM 1942 CA THR B 27 -19.024 -8.269 -4.570 1.00 2.53 C ATOM 1943 C THR B 27 -17.847 -7.314 -4.370 1.00 1.72 C ATOM 1944 O THR B 27 -17.145 -6.987 -5.328 1.00 2.30 O ATOM 1945 CB THR B 27 -20.261 -7.754 -3.807 1.00 3.34 C ATOM 1946 OG1 THR B 27 -21.322 -8.713 -3.911 1.00 3.84 O ATOM 1947 CG2 THR B 27 -20.729 -6.418 -4.363 1.00 3.95 C ATOM 0 H THR B 27 -18.180 -9.674 -3.265 1.00 2.56 H new ATOM 0 HA THR B 27 -19.266 -8.305 -5.632 1.00 2.53 H new ATOM 0 HB THR B 27 -19.986 -7.615 -2.762 1.00 3.34 H new ATOM 0 HG1 THR B 27 -22.107 -8.386 -3.425 1.00 3.84 H new ATOM 0 HG21 THR B 27 -21.603 -6.078 -3.807 1.00 3.95 H new ATOM 0 HG22 THR B 27 -19.929 -5.684 -4.267 1.00 3.95 H new ATOM 0 HG23 THR B 27 -20.991 -6.533 -5.415 1.00 3.95 H new ATOM 1955 N LEU B 28 -17.622 -6.900 -3.117 1.00 1.15 N ATOM 1956 CA LEU B 28 -16.545 -5.964 -2.775 1.00 0.90 C ATOM 1957 C LEU B 28 -16.660 -4.684 -3.600 1.00 0.71 C ATOM 1958 O LEU B 28 -15.827 -4.411 -4.458 1.00 0.76 O ATOM 1959 CB LEU B 28 -15.174 -6.612 -3.006 1.00 1.66 C ATOM 1960 CG LEU B 28 -14.950 -7.954 -2.304 1.00 2.02 C ATOM 1961 CD1 LEU B 28 -13.587 -8.518 -2.664 1.00 2.91 C ATOM 1962 CD2 LEU B 28 -15.080 -7.802 -0.795 1.00 2.37 C ATOM 0 H LEU B 28 -18.178 -7.202 -2.317 1.00 1.15 H new ATOM 0 HA LEU B 28 -16.642 -5.710 -1.719 1.00 0.90 H new ATOM 0 HB2 LEU B 28 -15.036 -6.755 -4.078 1.00 1.66 H new ATOM 0 HB3 LEU B 28 -14.403 -5.916 -2.675 1.00 1.66 H new ATOM 0 HG LEU B 28 -15.716 -8.650 -2.644 1.00 2.02 H new ATOM 0 HD11 LEU B 28 -13.443 -9.472 -2.157 1.00 2.91 H new ATOM 0 HD12 LEU B 28 -13.528 -8.667 -3.742 1.00 2.91 H new ATOM 0 HD13 LEU B 28 -12.810 -7.820 -2.351 1.00 2.91 H new ATOM 0 HD21 LEU B 28 -14.917 -8.768 -0.317 1.00 2.37 H new ATOM 0 HD22 LEU B 28 -14.338 -7.089 -0.436 1.00 2.37 H new ATOM 0 HD23 LEU B 28 -16.079 -7.440 -0.550 1.00 2.37 H new ATOM 1974 N SER B 29 -17.690 -3.895 -3.339 1.00 0.61 N ATOM 1975 CA SER B 29 -17.977 -2.742 -4.177 1.00 0.48 C ATOM 1976 C SER B 29 -17.500 -1.426 -3.548 1.00 0.44 C ATOM 1977 O SER B 29 -16.833 -1.433 -2.511 1.00 0.53 O ATOM 1978 CB SER B 29 -19.471 -2.687 -4.477 1.00 0.55 C ATOM 1979 OG SER B 29 -20.232 -2.615 -3.279 1.00 1.35 O ATOM 0 H SER B 29 -18.336 -4.030 -2.561 1.00 0.61 H new ATOM 0 HA SER B 29 -17.421 -2.861 -5.107 1.00 0.48 H new ATOM 0 HB2 SER B 29 -19.688 -1.820 -5.102 1.00 0.55 H new ATOM 0 HB3 SER B 29 -19.764 -3.570 -5.045 1.00 0.55 H new ATOM 0 HG SER B 29 -21.186 -2.579 -3.499 1.00 1.35 H new ATOM 1985 N LYS B 30 -17.854 -0.300 -4.175 1.00 0.38 N ATOM 1986 CA LYS B 30 -17.407 1.020 -3.728 1.00 0.36 C ATOM 1987 C LYS B 30 -17.913 1.322 -2.322 1.00 0.36 C ATOM 1988 O LYS B 30 -17.267 2.048 -1.574 1.00 0.37 O ATOM 1989 CB LYS B 30 -17.904 2.102 -4.694 1.00 0.39 C ATOM 1990 CG LYS B 30 -17.218 3.455 -4.535 1.00 0.41 C ATOM 1991 CD LYS B 30 -18.007 4.576 -5.210 1.00 0.50 C ATOM 1992 CE LYS B 30 -18.367 4.259 -6.660 1.00 0.52 C ATOM 1993 NZ LYS B 30 -17.246 4.509 -7.607 1.00 1.32 N ATOM 0 H LYS B 30 -18.454 -0.279 -5.000 1.00 0.38 H new ATOM 0 HA LYS B 30 -16.317 1.018 -3.713 1.00 0.36 H new ATOM 0 HB2 LYS B 30 -17.759 1.753 -5.716 1.00 0.39 H new ATOM 0 HB3 LYS B 30 -18.977 2.234 -4.552 1.00 0.39 H new ATOM 0 HG2 LYS B 30 -17.101 3.681 -3.475 1.00 0.41 H new ATOM 0 HG3 LYS B 30 -16.217 3.407 -4.963 1.00 0.41 H new ATOM 0 HD2 LYS B 30 -18.921 4.761 -4.646 1.00 0.50 H new ATOM 0 HD3 LYS B 30 -17.422 5.495 -5.179 1.00 0.50 H new ATOM 0 HE2 LYS B 30 -18.671 3.215 -6.733 1.00 0.52 H new ATOM 0 HE3 LYS B 30 -19.226 4.862 -6.955 1.00 0.52 H new ATOM 0 HZ1 LYS B 30 -17.392 3.952 -8.473 1.00 1.32 H new ATOM 0 HZ2 LYS B 30 -17.213 5.520 -7.847 1.00 1.32 H new ATOM 0 HZ3 LYS B 30 -16.348 4.229 -7.163 1.00 1.32 H new ATOM 2007 N GLY B 31 -19.062 0.755 -1.969 1.00 0.39 N ATOM 2008 CA GLY B 31 -19.663 1.012 -0.668 1.00 0.40 C ATOM 2009 C GLY B 31 -18.738 0.682 0.488 1.00 0.38 C ATOM 2010 O GLY B 31 -18.577 1.483 1.413 1.00 0.39 O ATOM 0 H GLY B 31 -19.592 0.118 -2.563 1.00 0.39 H new ATOM 0 HA2 GLY B 31 -19.951 2.062 -0.608 1.00 0.40 H new ATOM 0 HA3 GLY B 31 -20.577 0.425 -0.574 1.00 0.40 H new ATOM 2014 N GLU B 32 -18.115 -0.486 0.425 1.00 0.44 N ATOM 2015 CA GLU B 32 -17.226 -0.944 1.484 1.00 0.50 C ATOM 2016 C GLU B 32 -16.022 -0.028 1.593 1.00 0.42 C ATOM 2017 O GLU B 32 -15.629 0.388 2.687 1.00 0.44 O ATOM 2018 CB GLU B 32 -16.746 -2.363 1.191 1.00 0.67 C ATOM 2019 CG GLU B 32 -17.860 -3.319 0.793 1.00 0.96 C ATOM 2020 CD GLU B 32 -18.883 -3.533 1.888 1.00 1.58 C ATOM 2021 OE1 GLU B 32 -19.874 -2.774 1.946 1.00 2.10 O ATOM 2022 OE2 GLU B 32 -18.712 -4.478 2.685 1.00 2.43 O ATOM 0 H GLU B 32 -18.210 -1.138 -0.354 1.00 0.44 H new ATOM 0 HA GLU B 32 -17.778 -0.931 2.424 1.00 0.50 H new ATOM 0 HB2 GLU B 32 -16.007 -2.328 0.391 1.00 0.67 H new ATOM 0 HB3 GLU B 32 -16.242 -2.755 2.074 1.00 0.67 H new ATOM 0 HG2 GLU B 32 -18.362 -2.932 -0.094 1.00 0.96 H new ATOM 0 HG3 GLU B 32 -17.425 -4.280 0.519 1.00 0.96 H new ATOM 2029 N LEU B 33 -15.451 0.284 0.442 1.00 0.38 N ATOM 2030 CA LEU B 33 -14.277 1.123 0.372 1.00 0.34 C ATOM 2031 C LEU B 33 -14.595 2.519 0.865 1.00 0.30 C ATOM 2032 O LEU B 33 -13.825 3.107 1.602 1.00 0.32 O ATOM 2033 CB LEU B 33 -13.759 1.185 -1.058 1.00 0.34 C ATOM 2034 CG LEU B 33 -12.409 1.882 -1.210 1.00 0.39 C ATOM 2035 CD1 LEU B 33 -11.342 1.161 -0.403 1.00 0.52 C ATOM 2036 CD2 LEU B 33 -12.007 1.965 -2.672 1.00 0.46 C ATOM 0 H LEU B 33 -15.790 -0.038 -0.465 1.00 0.38 H new ATOM 0 HA LEU B 33 -13.506 0.692 1.011 1.00 0.34 H new ATOM 0 HB2 LEU B 33 -13.676 0.170 -1.446 1.00 0.34 H new ATOM 0 HB3 LEU B 33 -14.493 1.703 -1.675 1.00 0.34 H new ATOM 0 HG LEU B 33 -12.505 2.897 -0.825 1.00 0.39 H new ATOM 0 HD11 LEU B 33 -10.387 1.672 -0.524 1.00 0.52 H new ATOM 0 HD12 LEU B 33 -11.622 1.159 0.650 1.00 0.52 H new ATOM 0 HD13 LEU B 33 -11.251 0.134 -0.756 1.00 0.52 H new ATOM 0 HD21 LEU B 33 -11.042 2.465 -2.756 1.00 0.46 H new ATOM 0 HD22 LEU B 33 -11.932 0.960 -3.086 1.00 0.46 H new ATOM 0 HD23 LEU B 33 -12.758 2.530 -3.224 1.00 0.46 H new ATOM 2048 N LYS B 34 -15.745 3.030 0.458 1.00 0.29 N ATOM 2049 CA LYS B 34 -16.186 4.357 0.849 1.00 0.31 C ATOM 2050 C LYS B 34 -16.207 4.496 2.367 1.00 0.35 C ATOM 2051 O LYS B 34 -15.714 5.482 2.918 1.00 0.41 O ATOM 2052 CB LYS B 34 -17.571 4.629 0.264 1.00 0.34 C ATOM 2053 CG LYS B 34 -18.211 5.916 0.761 1.00 0.53 C ATOM 2054 CD LYS B 34 -19.642 6.054 0.276 1.00 0.85 C ATOM 2055 CE LYS B 34 -20.265 7.353 0.758 1.00 1.30 C ATOM 2056 NZ LYS B 34 -21.706 7.445 0.406 1.00 1.87 N ATOM 0 H LYS B 34 -16.398 2.537 -0.152 1.00 0.29 H new ATOM 0 HA LYS B 34 -15.483 5.092 0.457 1.00 0.31 H new ATOM 0 HB2 LYS B 34 -17.493 4.670 -0.822 1.00 0.34 H new ATOM 0 HB3 LYS B 34 -18.227 3.792 0.505 1.00 0.34 H new ATOM 0 HG2 LYS B 34 -18.193 5.935 1.851 1.00 0.53 H new ATOM 0 HG3 LYS B 34 -17.626 6.769 0.418 1.00 0.53 H new ATOM 0 HD2 LYS B 34 -19.664 6.020 -0.813 1.00 0.85 H new ATOM 0 HD3 LYS B 34 -20.232 5.210 0.633 1.00 0.85 H new ATOM 0 HE2 LYS B 34 -20.151 7.430 1.839 1.00 1.30 H new ATOM 0 HE3 LYS B 34 -19.730 8.196 0.320 1.00 1.30 H new ATOM 0 HZ1 LYS B 34 -22.091 8.346 0.753 1.00 1.87 H new ATOM 0 HZ2 LYS B 34 -21.815 7.397 -0.627 1.00 1.87 H new ATOM 0 HZ3 LYS B 34 -22.222 6.656 0.845 1.00 1.87 H new ATOM 2070 N GLN B 35 -16.772 3.501 3.040 1.00 0.36 N ATOM 2071 CA GLN B 35 -16.776 3.475 4.496 1.00 0.43 C ATOM 2072 C GLN B 35 -15.355 3.476 5.033 1.00 0.43 C ATOM 2073 O GLN B 35 -14.978 4.386 5.765 1.00 0.50 O ATOM 2074 CB GLN B 35 -17.544 2.259 5.008 1.00 0.50 C ATOM 2075 CG GLN B 35 -18.976 2.577 5.414 1.00 1.07 C ATOM 2076 CD GLN B 35 -19.769 3.267 4.321 1.00 1.67 C ATOM 2077 OE1 GLN B 35 -19.784 4.496 4.232 1.00 2.45 O ATOM 2078 NE2 GLN B 35 -20.432 2.488 3.484 1.00 2.06 N ATOM 0 H GLN B 35 -17.232 2.703 2.601 1.00 0.36 H new ATOM 0 HA GLN B 35 -17.278 4.373 4.855 1.00 0.43 H new ATOM 0 HB2 GLN B 35 -17.555 1.493 4.233 1.00 0.50 H new ATOM 0 HB3 GLN B 35 -17.016 1.839 5.864 1.00 0.50 H new ATOM 0 HG2 GLN B 35 -19.482 1.652 5.692 1.00 1.07 H new ATOM 0 HG3 GLN B 35 -18.963 3.212 6.300 1.00 1.07 H new ATOM 0 HE21 GLN B 35 -20.394 1.474 3.592 1.00 2.06 H new ATOM 0 HE22 GLN B 35 -20.982 2.900 2.730 1.00 2.06 H new ATOM 2087 N LEU B 36 -14.567 2.486 4.626 1.00 0.38 N ATOM 2088 CA LEU B 36 -13.189 2.349 5.078 1.00 0.39 C ATOM 2089 C LEU B 36 -12.427 3.656 4.880 1.00 0.38 C ATOM 2090 O LEU B 36 -11.750 4.128 5.770 1.00 0.45 O ATOM 2091 CB LEU B 36 -12.514 1.208 4.304 1.00 0.37 C ATOM 2092 CG LEU B 36 -11.117 0.796 4.780 1.00 0.40 C ATOM 2093 CD1 LEU B 36 -10.847 -0.646 4.390 1.00 0.45 C ATOM 2094 CD2 LEU B 36 -10.046 1.702 4.188 1.00 0.40 C ATOM 0 H LEU B 36 -14.865 1.759 3.976 1.00 0.38 H new ATOM 0 HA LEU B 36 -13.181 2.115 6.143 1.00 0.39 H new ATOM 0 HB2 LEU B 36 -13.163 0.333 4.350 1.00 0.37 H new ATOM 0 HB3 LEU B 36 -12.446 1.499 3.256 1.00 0.37 H new ATOM 0 HG LEU B 36 -11.082 0.894 5.865 1.00 0.40 H new ATOM 0 HD11 LEU B 36 -9.853 -0.935 4.730 1.00 0.45 H new ATOM 0 HD12 LEU B 36 -11.591 -1.294 4.853 1.00 0.45 H new ATOM 0 HD13 LEU B 36 -10.903 -0.746 3.306 1.00 0.45 H new ATOM 0 HD21 LEU B 36 -9.065 1.386 4.543 1.00 0.40 H new ATOM 0 HD22 LEU B 36 -10.076 1.638 3.100 1.00 0.40 H new ATOM 0 HD23 LEU B 36 -10.229 2.731 4.496 1.00 0.40 H new ATOM 2106 N LEU B 37 -12.567 4.245 3.717 1.00 0.34 N ATOM 2107 CA LEU B 37 -11.837 5.452 3.377 1.00 0.35 C ATOM 2108 C LEU B 37 -12.242 6.629 4.251 1.00 0.41 C ATOM 2109 O LEU B 37 -11.390 7.312 4.816 1.00 0.45 O ATOM 2110 CB LEU B 37 -12.065 5.786 1.911 1.00 0.34 C ATOM 2111 CG LEU B 37 -11.502 4.760 0.932 1.00 0.30 C ATOM 2112 CD1 LEU B 37 -11.889 5.106 -0.493 1.00 0.38 C ATOM 2113 CD2 LEU B 37 -9.995 4.669 1.081 1.00 0.32 C ATOM 0 H LEU B 37 -13.186 3.907 2.980 1.00 0.34 H new ATOM 0 HA LEU B 37 -10.778 5.266 3.556 1.00 0.35 H new ATOM 0 HB2 LEU B 37 -13.136 5.886 1.737 1.00 0.34 H new ATOM 0 HB3 LEU B 37 -11.616 6.756 1.699 1.00 0.34 H new ATOM 0 HG LEU B 37 -11.930 3.785 1.164 1.00 0.30 H new ATOM 0 HD11 LEU B 37 -11.477 4.361 -1.173 1.00 0.38 H new ATOM 0 HD12 LEU B 37 -12.975 5.117 -0.582 1.00 0.38 H new ATOM 0 HD13 LEU B 37 -11.494 6.089 -0.749 1.00 0.38 H new ATOM 0 HD21 LEU B 37 -9.604 3.934 0.378 1.00 0.32 H new ATOM 0 HD22 LEU B 37 -9.550 5.642 0.874 1.00 0.32 H new ATOM 0 HD23 LEU B 37 -9.748 4.365 2.098 1.00 0.32 H new ATOM 2125 N THR B 38 -13.541 6.850 4.375 1.00 0.45 N ATOM 2126 CA THR B 38 -14.049 8.004 5.096 1.00 0.53 C ATOM 2127 C THR B 38 -13.733 7.926 6.588 1.00 0.59 C ATOM 2128 O THR B 38 -13.565 8.952 7.245 1.00 0.67 O ATOM 2129 CB THR B 38 -15.570 8.164 4.901 1.00 0.56 C ATOM 2130 OG1 THR B 38 -16.239 6.921 5.160 1.00 1.23 O ATOM 2131 CG2 THR B 38 -15.891 8.620 3.489 1.00 1.03 C ATOM 0 H THR B 38 -14.263 6.244 3.985 1.00 0.45 H new ATOM 0 HA THR B 38 -13.544 8.876 4.680 1.00 0.53 H new ATOM 0 HB THR B 38 -15.919 8.920 5.605 1.00 0.56 H new ATOM 0 HG1 THR B 38 -16.180 6.347 4.368 1.00 1.23 H new ATOM 0 HG21 THR B 38 -16.970 8.725 3.377 1.00 1.03 H new ATOM 0 HG22 THR B 38 -15.411 9.580 3.299 1.00 1.03 H new ATOM 0 HG23 THR B 38 -15.523 7.883 2.776 1.00 1.03 H new ATOM 2139 N LYS B 39 -13.669 6.716 7.122 1.00 0.58 N ATOM 2140 CA LYS B 39 -13.434 6.542 8.547 1.00 0.67 C ATOM 2141 C LYS B 39 -11.965 6.262 8.878 1.00 0.65 C ATOM 2142 O LYS B 39 -11.472 6.685 9.926 1.00 0.72 O ATOM 2143 CB LYS B 39 -14.334 5.439 9.111 1.00 0.72 C ATOM 2144 CG LYS B 39 -14.079 4.066 8.516 1.00 0.68 C ATOM 2145 CD LYS B 39 -15.300 3.147 8.601 1.00 0.74 C ATOM 2146 CE LYS B 39 -15.645 2.754 10.035 1.00 0.87 C ATOM 2147 NZ LYS B 39 -16.319 3.849 10.789 1.00 1.62 N ATOM 0 H LYS B 39 -13.775 5.848 6.597 1.00 0.58 H new ATOM 0 HA LYS B 39 -13.687 7.489 9.024 1.00 0.67 H new ATOM 0 HB2 LYS B 39 -14.194 5.387 10.191 1.00 0.72 H new ATOM 0 HB3 LYS B 39 -15.375 5.711 8.938 1.00 0.72 H new ATOM 0 HG2 LYS B 39 -13.785 4.176 7.472 1.00 0.68 H new ATOM 0 HG3 LYS B 39 -13.242 3.600 9.036 1.00 0.68 H new ATOM 0 HD2 LYS B 39 -16.157 3.646 8.150 1.00 0.74 H new ATOM 0 HD3 LYS B 39 -15.112 2.246 8.017 1.00 0.74 H new ATOM 0 HE2 LYS B 39 -16.293 1.877 10.021 1.00 0.87 H new ATOM 0 HE3 LYS B 39 -14.732 2.468 10.558 1.00 0.87 H new ATOM 0 HZ1 LYS B 39 -15.662 4.240 11.495 1.00 1.62 H new ATOM 0 HZ2 LYS B 39 -16.605 4.600 10.129 1.00 1.62 H new ATOM 0 HZ3 LYS B 39 -17.160 3.472 11.270 1.00 1.62 H new ATOM 2161 N GLU B 40 -11.261 5.567 7.990 1.00 0.57 N ATOM 2162 CA GLU B 40 -9.922 5.071 8.304 1.00 0.58 C ATOM 2163 C GLU B 40 -8.842 5.988 7.743 1.00 0.56 C ATOM 2164 O GLU B 40 -7.772 6.133 8.337 1.00 0.64 O ATOM 2165 CB GLU B 40 -9.724 3.646 7.759 1.00 0.58 C ATOM 2166 CG GLU B 40 -10.769 2.646 8.234 1.00 0.88 C ATOM 2167 CD GLU B 40 -10.857 2.533 9.742 1.00 1.14 C ATOM 2168 OE1 GLU B 40 -11.312 3.493 10.387 1.00 1.63 O ATOM 2169 OE2 GLU B 40 -10.487 1.474 10.288 1.00 1.67 O ATOM 0 H GLU B 40 -11.591 5.335 7.053 1.00 0.57 H new ATOM 0 HA GLU B 40 -9.831 5.054 9.390 1.00 0.58 H new ATOM 0 HB2 GLU B 40 -9.739 3.680 6.670 1.00 0.58 H new ATOM 0 HB3 GLU B 40 -8.737 3.290 8.053 1.00 0.58 H new ATOM 0 HG2 GLU B 40 -11.743 2.937 7.842 1.00 0.88 H new ATOM 0 HG3 GLU B 40 -10.538 1.666 7.817 1.00 0.88 H new ATOM 2176 N LEU B 41 -9.121 6.603 6.603 1.00 0.50 N ATOM 2177 CA LEU B 41 -8.133 7.440 5.928 1.00 0.49 C ATOM 2178 C LEU B 41 -8.660 8.864 5.803 1.00 0.53 C ATOM 2179 O LEU B 41 -8.255 9.618 4.911 1.00 0.53 O ATOM 2180 CB LEU B 41 -7.812 6.876 4.537 1.00 0.43 C ATOM 2181 CG LEU B 41 -7.579 5.361 4.480 1.00 0.51 C ATOM 2182 CD1 LEU B 41 -7.177 4.935 3.080 1.00 1.22 C ATOM 2183 CD2 LEU B 41 -6.524 4.933 5.487 1.00 1.42 C ATOM 0 H LEU B 41 -10.020 6.540 6.125 1.00 0.50 H new ATOM 0 HA LEU B 41 -7.218 7.447 6.520 1.00 0.49 H new ATOM 0 HB2 LEU B 41 -8.632 7.126 3.864 1.00 0.43 H new ATOM 0 HB3 LEU B 41 -6.923 7.378 4.156 1.00 0.43 H new ATOM 0 HG LEU B 41 -8.516 4.867 4.739 1.00 0.51 H new ATOM 0 HD11 LEU B 41 -7.016 3.857 3.060 1.00 1.22 H new ATOM 0 HD12 LEU B 41 -7.969 5.197 2.378 1.00 1.22 H new ATOM 0 HD13 LEU B 41 -6.257 5.445 2.795 1.00 1.22 H new ATOM 0 HD21 LEU B 41 -6.379 3.855 5.425 1.00 1.42 H new ATOM 0 HD22 LEU B 41 -5.584 5.439 5.267 1.00 1.42 H new ATOM 0 HD23 LEU B 41 -6.852 5.198 6.492 1.00 1.42 H new ATOM 2195 N ALA B 42 -9.560 9.208 6.719 1.00 0.58 N ATOM 2196 CA ALA B 42 -10.260 10.495 6.716 1.00 0.64 C ATOM 2197 C ALA B 42 -9.322 11.690 6.566 1.00 0.71 C ATOM 2198 O ALA B 42 -9.617 12.623 5.820 1.00 0.78 O ATOM 2199 CB ALA B 42 -11.074 10.644 7.989 1.00 0.71 C ATOM 0 H ALA B 42 -9.829 8.599 7.492 1.00 0.58 H new ATOM 0 HA ALA B 42 -10.914 10.492 5.844 1.00 0.64 H new ATOM 0 HB1 ALA B 42 -11.592 11.603 7.980 1.00 0.71 H new ATOM 0 HB2 ALA B 42 -11.805 9.838 8.050 1.00 0.71 H new ATOM 0 HB3 ALA B 42 -10.411 10.598 8.853 1.00 0.71 H new ATOM 2205 N ASN B 43 -8.201 11.666 7.265 1.00 0.74 N ATOM 2206 CA ASN B 43 -7.312 12.819 7.295 1.00 0.83 C ATOM 2207 C ASN B 43 -6.063 12.586 6.447 1.00 0.83 C ATOM 2208 O ASN B 43 -5.101 13.347 6.520 1.00 1.07 O ATOM 2209 CB ASN B 43 -6.916 13.140 8.742 1.00 1.00 C ATOM 2210 CG ASN B 43 -6.331 14.536 8.902 1.00 1.28 C ATOM 2211 OD1 ASN B 43 -6.828 15.488 8.127 1.00 1.56 O flip ATOM 2212 ND2 ASN B 43 -5.457 14.764 9.739 1.00 2.16 N flip ATOM 0 H ASN B 43 -7.884 10.868 7.816 1.00 0.74 H new ATOM 0 HA ASN B 43 -7.849 13.667 6.871 1.00 0.83 H new ATOM 0 HB2 ASN B 43 -7.792 13.044 9.383 1.00 1.00 H new ATOM 0 HB3 ASN B 43 -6.188 12.405 9.085 1.00 1.00 H new ATOM 0 HD21 ASN B 43 -5.097 14.007 10.319 1.00 2.16 H new ATOM 0 HD22 ASN B 43 -5.093 15.710 9.852 1.00 2.16 H new ATOM 2219 N THR B 44 -6.084 11.555 5.620 1.00 0.65 N ATOM 2220 CA THR B 44 -4.920 11.220 4.819 1.00 0.61 C ATOM 2221 C THR B 44 -5.122 11.676 3.385 1.00 0.59 C ATOM 2222 O THR B 44 -4.358 12.478 2.847 1.00 0.66 O ATOM 2223 CB THR B 44 -4.654 9.706 4.827 1.00 0.55 C ATOM 2224 OG1 THR B 44 -4.762 9.201 6.164 1.00 0.65 O ATOM 2225 CG2 THR B 44 -3.269 9.402 4.279 1.00 0.52 C ATOM 0 H THR B 44 -6.887 10.940 5.486 1.00 0.65 H new ATOM 0 HA THR B 44 -4.062 11.731 5.256 1.00 0.61 H new ATOM 0 HB THR B 44 -5.396 9.222 4.192 1.00 0.55 H new ATOM 0 HG1 THR B 44 -4.172 9.713 6.756 1.00 0.65 H new ATOM 0 HG21 THR B 44 -3.100 8.325 4.293 1.00 0.52 H new ATOM 0 HG22 THR B 44 -3.195 9.767 3.255 1.00 0.52 H new ATOM 0 HG23 THR B 44 -2.517 9.895 4.896 1.00 0.52 H new ATOM 2233 N ILE B 45 -6.179 11.166 2.785 1.00 0.52 N ATOM 2234 CA ILE B 45 -6.494 11.456 1.404 1.00 0.51 C ATOM 2235 C ILE B 45 -7.310 12.741 1.316 1.00 0.59 C ATOM 2236 O ILE B 45 -8.185 12.976 2.153 1.00 0.60 O ATOM 2237 CB ILE B 45 -7.279 10.285 0.789 1.00 0.43 C ATOM 2238 CG1 ILE B 45 -6.496 8.970 0.941 1.00 0.39 C ATOM 2239 CG2 ILE B 45 -7.587 10.564 -0.675 1.00 0.47 C ATOM 2240 CD1 ILE B 45 -7.206 7.767 0.355 1.00 0.35 C ATOM 0 H ILE B 45 -6.842 10.540 3.242 1.00 0.52 H new ATOM 0 HA ILE B 45 -5.567 11.589 0.847 1.00 0.51 H new ATOM 0 HB ILE B 45 -8.223 10.181 1.324 1.00 0.43 H new ATOM 0 HG12 ILE B 45 -5.525 9.078 0.458 1.00 0.39 H new ATOM 0 HG13 ILE B 45 -6.308 8.790 1.999 1.00 0.39 H new ATOM 0 HG21 ILE B 45 -8.143 9.726 -1.096 1.00 0.47 H new ATOM 0 HG22 ILE B 45 -8.184 11.472 -0.754 1.00 0.47 H new ATOM 0 HG23 ILE B 45 -6.655 10.694 -1.225 1.00 0.47 H new ATOM 0 HD11 ILE B 45 -6.594 6.877 0.500 1.00 0.35 H new ATOM 0 HD12 ILE B 45 -8.166 7.632 0.854 1.00 0.35 H new ATOM 0 HD13 ILE B 45 -7.370 7.925 -0.711 1.00 0.35 H new ATOM 2252 N LYS B 46 -6.997 13.587 0.329 1.00 0.67 N ATOM 2253 CA LYS B 46 -7.693 14.859 0.169 1.00 0.74 C ATOM 2254 C LYS B 46 -9.190 14.621 0.007 1.00 0.68 C ATOM 2255 O LYS B 46 -9.608 13.849 -0.853 1.00 0.63 O ATOM 2256 CB LYS B 46 -7.118 15.659 -1.027 1.00 0.82 C ATOM 2257 CG LYS B 46 -7.732 15.356 -2.396 1.00 0.79 C ATOM 2258 CD LYS B 46 -8.971 16.209 -2.663 1.00 0.75 C ATOM 2259 CE LYS B 46 -9.512 15.997 -4.068 1.00 0.88 C ATOM 2260 NZ LYS B 46 -8.654 16.631 -5.100 1.00 1.61 N ATOM 0 H LYS B 46 -6.270 13.412 -0.365 1.00 0.67 H new ATOM 0 HA LYS B 46 -7.537 15.457 1.067 1.00 0.74 H new ATOM 0 HB2 LYS B 46 -7.245 16.722 -0.822 1.00 0.82 H new ATOM 0 HB3 LYS B 46 -6.046 15.471 -1.082 1.00 0.82 H new ATOM 0 HG2 LYS B 46 -6.991 15.537 -3.175 1.00 0.79 H new ATOM 0 HG3 LYS B 46 -7.999 14.301 -2.449 1.00 0.79 H new ATOM 0 HD2 LYS B 46 -9.744 15.964 -1.935 1.00 0.75 H new ATOM 0 HD3 LYS B 46 -8.724 17.262 -2.524 1.00 0.75 H new ATOM 0 HE2 LYS B 46 -9.589 14.928 -4.268 1.00 0.88 H new ATOM 0 HE3 LYS B 46 -10.520 16.407 -4.133 1.00 0.88 H new ATOM 0 HZ1 LYS B 46 -9.187 17.383 -5.580 1.00 1.61 H new ATOM 0 HZ2 LYS B 46 -7.811 17.039 -4.648 1.00 1.61 H new ATOM 0 HZ3 LYS B 46 -8.362 15.915 -5.796 1.00 1.61 H new ATOM 2274 N ASN B 47 -9.974 15.261 0.873 1.00 0.71 N ATOM 2275 CA ASN B 47 -11.434 15.191 0.818 1.00 0.67 C ATOM 2276 C ASN B 47 -11.927 13.770 0.609 1.00 0.59 C ATOM 2277 O ASN B 47 -12.830 13.536 -0.189 1.00 0.57 O ATOM 2278 CB ASN B 47 -11.982 16.073 -0.303 1.00 0.69 C ATOM 2279 CG ASN B 47 -11.957 17.548 0.035 1.00 0.92 C ATOM 2280 OD1 ASN B 47 -10.924 18.208 -0.079 1.00 1.48 O ATOM 2281 ND2 ASN B 47 -13.106 18.085 0.410 1.00 1.24 N ATOM 0 H ASN B 47 -9.616 15.842 1.631 1.00 0.71 H new ATOM 0 HA ASN B 47 -11.798 15.550 1.781 1.00 0.67 H new ATOM 0 HB2 ASN B 47 -11.399 15.904 -1.208 1.00 0.69 H new ATOM 0 HB3 ASN B 47 -13.007 15.774 -0.524 1.00 0.69 H new ATOM 0 HD21 ASN B 47 -13.159 19.082 0.617 1.00 1.24 H new ATOM 0 HD22 ASN B 47 -13.939 17.502 0.492 1.00 1.24 H new ATOM 2288 N ILE B 48 -11.345 12.824 1.329 1.00 0.56 N ATOM 2289 CA ILE B 48 -11.732 11.421 1.199 1.00 0.48 C ATOM 2290 C ILE B 48 -13.184 11.221 1.638 1.00 0.48 C ATOM 2291 O ILE B 48 -13.761 10.146 1.504 1.00 0.44 O ATOM 2292 CB ILE B 48 -10.809 10.511 2.029 1.00 0.46 C ATOM 2293 CG1 ILE B 48 -10.988 9.045 1.628 1.00 0.40 C ATOM 2294 CG2 ILE B 48 -11.080 10.690 3.511 1.00 0.52 C ATOM 2295 CD1 ILE B 48 -10.770 8.789 0.152 1.00 0.38 C ATOM 0 H ILE B 48 -10.605 12.998 2.009 1.00 0.56 H new ATOM 0 HA ILE B 48 -11.635 11.148 0.148 1.00 0.48 H new ATOM 0 HB ILE B 48 -9.777 10.798 1.827 1.00 0.46 H new ATOM 0 HG12 ILE B 48 -10.292 8.433 2.201 1.00 0.40 H new ATOM 0 HG13 ILE B 48 -11.993 8.723 1.899 1.00 0.40 H new ATOM 0 HG21 ILE B 48 -10.419 10.039 4.083 1.00 0.52 H new ATOM 0 HG22 ILE B 48 -10.899 11.728 3.791 1.00 0.52 H new ATOM 0 HG23 ILE B 48 -12.117 10.432 3.725 1.00 0.52 H new ATOM 0 HD11 ILE B 48 -10.913 7.729 -0.059 1.00 0.38 H new ATOM 0 HD12 ILE B 48 -11.484 9.374 -0.428 1.00 0.38 H new ATOM 0 HD13 ILE B 48 -9.756 9.079 -0.122 1.00 0.38 H new ATOM 2307 N LYS B 49 -13.759 12.284 2.161 1.00 0.56 N ATOM 2308 CA LYS B 49 -15.137 12.289 2.604 1.00 0.57 C ATOM 2309 C LYS B 49 -16.058 12.565 1.427 1.00 0.55 C ATOM 2310 O LYS B 49 -17.276 12.416 1.518 1.00 0.56 O ATOM 2311 CB LYS B 49 -15.313 13.356 3.672 1.00 0.66 C ATOM 2312 CG LYS B 49 -14.289 13.245 4.791 1.00 0.73 C ATOM 2313 CD LYS B 49 -14.331 11.889 5.489 1.00 0.72 C ATOM 2314 CE LYS B 49 -15.239 11.889 6.715 1.00 0.83 C ATOM 2315 NZ LYS B 49 -16.650 12.221 6.387 1.00 1.11 N ATOM 0 H LYS B 49 -13.280 13.175 2.291 1.00 0.56 H new ATOM 0 HA LYS B 49 -15.392 11.315 3.022 1.00 0.57 H new ATOM 0 HB2 LYS B 49 -15.236 14.341 3.211 1.00 0.66 H new ATOM 0 HB3 LYS B 49 -16.315 13.279 4.094 1.00 0.66 H new ATOM 0 HG2 LYS B 49 -13.291 13.410 4.384 1.00 0.73 H new ATOM 0 HG3 LYS B 49 -14.469 14.033 5.523 1.00 0.73 H new ATOM 0 HD2 LYS B 49 -14.677 11.132 4.785 1.00 0.72 H new ATOM 0 HD3 LYS B 49 -13.322 11.607 5.789 1.00 0.72 H new ATOM 0 HE2 LYS B 49 -15.202 10.908 7.189 1.00 0.83 H new ATOM 0 HE3 LYS B 49 -14.861 12.608 7.442 1.00 0.83 H new ATOM 0 HZ1 LYS B 49 -17.264 11.948 7.180 1.00 1.11 H new ATOM 0 HZ2 LYS B 49 -16.736 13.244 6.219 1.00 1.11 H new ATOM 0 HZ3 LYS B 49 -16.939 11.704 5.532 1.00 1.11 H new ATOM 2329 N ASP B 50 -15.454 12.965 0.323 1.00 0.55 N ATOM 2330 CA ASP B 50 -16.185 13.274 -0.888 1.00 0.56 C ATOM 2331 C ASP B 50 -16.300 12.050 -1.764 1.00 0.50 C ATOM 2332 O ASP B 50 -15.309 11.394 -2.075 1.00 0.47 O ATOM 2333 CB ASP B 50 -15.498 14.404 -1.653 1.00 0.62 C ATOM 2334 CG ASP B 50 -15.919 15.779 -1.172 1.00 0.97 C ATOM 2335 OD1 ASP B 50 -16.936 16.302 -1.675 1.00 1.59 O ATOM 2336 OD2 ASP B 50 -15.243 16.345 -0.289 1.00 1.56 O ATOM 0 H ASP B 50 -14.444 13.084 0.243 1.00 0.55 H new ATOM 0 HA ASP B 50 -17.187 13.599 -0.609 1.00 0.56 H new ATOM 0 HB2 ASP B 50 -14.418 14.303 -1.549 1.00 0.62 H new ATOM 0 HB3 ASP B 50 -15.727 14.310 -2.715 1.00 0.62 H new ATOM 2341 N LYS B 51 -17.523 11.748 -2.166 1.00 0.50 N ATOM 2342 CA LYS B 51 -17.789 10.591 -2.999 1.00 0.48 C ATOM 2343 C LYS B 51 -17.187 10.781 -4.377 1.00 0.49 C ATOM 2344 O LYS B 51 -16.914 9.815 -5.075 1.00 0.48 O ATOM 2345 CB LYS B 51 -19.285 10.357 -3.128 1.00 0.53 C ATOM 2346 CG LYS B 51 -19.730 8.969 -2.687 1.00 0.83 C ATOM 2347 CD LYS B 51 -19.081 7.865 -3.514 1.00 0.60 C ATOM 2348 CE LYS B 51 -19.561 7.871 -4.959 1.00 0.83 C ATOM 2349 NZ LYS B 51 -21.034 7.672 -5.070 1.00 0.92 N ATOM 0 H LYS B 51 -18.351 12.293 -1.926 1.00 0.50 H new ATOM 0 HA LYS B 51 -17.333 9.722 -2.525 1.00 0.48 H new ATOM 0 HB2 LYS B 51 -19.813 11.103 -2.534 1.00 0.53 H new ATOM 0 HB3 LYS B 51 -19.579 10.510 -4.166 1.00 0.53 H new ATOM 0 HG2 LYS B 51 -19.481 8.827 -1.635 1.00 0.83 H new ATOM 0 HG3 LYS B 51 -20.814 8.893 -2.771 1.00 0.83 H new ATOM 0 HD2 LYS B 51 -17.998 7.986 -3.492 1.00 0.60 H new ATOM 0 HD3 LYS B 51 -19.303 6.898 -3.063 1.00 0.60 H new ATOM 0 HE2 LYS B 51 -19.289 8.818 -5.425 1.00 0.83 H new ATOM 0 HE3 LYS B 51 -19.048 7.084 -5.512 1.00 0.83 H new ATOM 0 HZ1 LYS B 51 -21.281 7.447 -6.055 1.00 0.92 H new ATOM 0 HZ2 LYS B 51 -21.326 6.888 -4.453 1.00 0.92 H new ATOM 0 HZ3 LYS B 51 -21.525 8.542 -4.780 1.00 0.92 H new ATOM 2363 N ALA B 52 -16.991 12.032 -4.763 1.00 0.55 N ATOM 2364 CA ALA B 52 -16.334 12.342 -6.019 1.00 0.60 C ATOM 2365 C ALA B 52 -14.871 11.960 -5.921 1.00 0.57 C ATOM 2366 O ALA B 52 -14.266 11.490 -6.880 1.00 0.60 O ATOM 2367 CB ALA B 52 -16.473 13.817 -6.344 1.00 0.67 C ATOM 0 H ALA B 52 -17.278 12.848 -4.223 1.00 0.55 H new ATOM 0 HA ALA B 52 -16.806 11.774 -6.821 1.00 0.60 H new ATOM 0 HB1 ALA B 52 -15.974 14.030 -7.289 1.00 0.67 H new ATOM 0 HB2 ALA B 52 -17.529 14.074 -6.425 1.00 0.67 H new ATOM 0 HB3 ALA B 52 -16.016 14.409 -5.551 1.00 0.67 H new ATOM 2373 N VAL B 53 -14.332 12.141 -4.729 1.00 0.54 N ATOM 2374 CA VAL B 53 -12.950 11.792 -4.440 1.00 0.53 C ATOM 2375 C VAL B 53 -12.822 10.285 -4.338 1.00 0.47 C ATOM 2376 O VAL B 53 -11.930 9.672 -4.926 1.00 0.48 O ATOM 2377 CB VAL B 53 -12.482 12.452 -3.122 1.00 0.53 C ATOM 2378 CG1 VAL B 53 -11.210 11.804 -2.590 1.00 0.51 C ATOM 2379 CG2 VAL B 53 -12.262 13.939 -3.326 1.00 0.60 C ATOM 0 H VAL B 53 -14.837 12.533 -3.934 1.00 0.54 H new ATOM 0 HA VAL B 53 -12.318 12.159 -5.249 1.00 0.53 H new ATOM 0 HB VAL B 53 -13.268 12.303 -2.382 1.00 0.53 H new ATOM 0 HG11 VAL B 53 -10.912 12.294 -1.663 1.00 0.51 H new ATOM 0 HG12 VAL B 53 -11.393 10.747 -2.399 1.00 0.51 H new ATOM 0 HG13 VAL B 53 -10.414 11.907 -3.327 1.00 0.51 H new ATOM 0 HG21 VAL B 53 -11.933 14.390 -2.390 1.00 0.60 H new ATOM 0 HG22 VAL B 53 -11.500 14.093 -4.090 1.00 0.60 H new ATOM 0 HG23 VAL B 53 -13.195 14.404 -3.645 1.00 0.60 H new ATOM 2389 N ILE B 54 -13.750 9.697 -3.604 1.00 0.42 N ATOM 2390 CA ILE B 54 -13.797 8.257 -3.433 1.00 0.36 C ATOM 2391 C ILE B 54 -13.984 7.547 -4.759 1.00 0.38 C ATOM 2392 O ILE B 54 -13.367 6.519 -5.014 1.00 0.38 O ATOM 2393 CB ILE B 54 -14.934 7.873 -2.492 1.00 0.35 C ATOM 2394 CG1 ILE B 54 -14.623 8.434 -1.113 1.00 0.37 C ATOM 2395 CG2 ILE B 54 -15.132 6.359 -2.449 1.00 0.32 C ATOM 2396 CD1 ILE B 54 -15.604 8.016 -0.054 1.00 0.38 C ATOM 0 H ILE B 54 -14.488 10.201 -3.113 1.00 0.42 H new ATOM 0 HA ILE B 54 -12.844 7.947 -3.005 1.00 0.36 H new ATOM 0 HB ILE B 54 -15.871 8.296 -2.855 1.00 0.35 H new ATOM 0 HG12 ILE B 54 -13.624 8.113 -0.817 1.00 0.37 H new ATOM 0 HG13 ILE B 54 -14.605 9.522 -1.169 1.00 0.37 H new ATOM 0 HG21 ILE B 54 -15.949 6.118 -1.769 1.00 0.32 H new ATOM 0 HG22 ILE B 54 -15.371 5.995 -3.448 1.00 0.32 H new ATOM 0 HG23 ILE B 54 -14.217 5.882 -2.099 1.00 0.32 H new ATOM 0 HD11 ILE B 54 -15.317 8.455 0.902 1.00 0.38 H new ATOM 0 HD12 ILE B 54 -16.602 8.360 -0.326 1.00 0.38 H new ATOM 0 HD13 ILE B 54 -15.606 6.929 0.032 1.00 0.38 H new ATOM 2408 N ASP B 55 -14.842 8.102 -5.598 1.00 0.43 N ATOM 2409 CA ASP B 55 -15.097 7.533 -6.906 1.00 0.47 C ATOM 2410 C ASP B 55 -13.841 7.581 -7.726 1.00 0.48 C ATOM 2411 O ASP B 55 -13.408 6.576 -8.251 1.00 0.49 O ATOM 2412 CB ASP B 55 -16.201 8.292 -7.620 1.00 0.54 C ATOM 2413 CG ASP B 55 -16.457 7.773 -9.018 1.00 0.85 C ATOM 2414 OD1 ASP B 55 -17.173 6.758 -9.146 1.00 1.43 O ATOM 2415 OD2 ASP B 55 -15.943 8.365 -9.985 1.00 1.53 O ATOM 0 H ASP B 55 -15.374 8.948 -5.394 1.00 0.43 H new ATOM 0 HA ASP B 55 -15.417 6.499 -6.778 1.00 0.47 H new ATOM 0 HB2 ASP B 55 -17.120 8.223 -7.037 1.00 0.54 H new ATOM 0 HB3 ASP B 55 -15.935 9.348 -7.672 1.00 0.54 H new ATOM 2420 N GLU B 56 -13.251 8.755 -7.793 1.00 0.51 N ATOM 2421 CA GLU B 56 -12.001 8.956 -8.500 1.00 0.53 C ATOM 2422 C GLU B 56 -10.969 7.884 -8.137 1.00 0.47 C ATOM 2423 O GLU B 56 -10.328 7.300 -9.016 1.00 0.49 O ATOM 2424 CB GLU B 56 -11.470 10.342 -8.164 1.00 0.58 C ATOM 2425 CG GLU B 56 -12.095 11.453 -8.990 1.00 0.69 C ATOM 2426 CD GLU B 56 -11.945 11.222 -10.478 1.00 1.06 C ATOM 2427 OE1 GLU B 56 -10.849 11.482 -11.017 1.00 1.77 O ATOM 2428 OE2 GLU B 56 -12.920 10.771 -11.117 1.00 1.66 O ATOM 0 H GLU B 56 -13.624 9.599 -7.359 1.00 0.51 H new ATOM 0 HA GLU B 56 -12.183 8.874 -9.572 1.00 0.53 H new ATOM 0 HB2 GLU B 56 -11.648 10.543 -7.108 1.00 0.58 H new ATOM 0 HB3 GLU B 56 -10.390 10.354 -8.314 1.00 0.58 H new ATOM 0 HG2 GLU B 56 -13.154 11.534 -8.743 1.00 0.69 H new ATOM 0 HG3 GLU B 56 -11.632 12.403 -8.724 1.00 0.69 H new ATOM 2435 N ILE B 57 -10.840 7.602 -6.847 1.00 0.42 N ATOM 2436 CA ILE B 57 -9.881 6.623 -6.375 1.00 0.39 C ATOM 2437 C ILE B 57 -10.342 5.202 -6.682 1.00 0.36 C ATOM 2438 O ILE B 57 -9.609 4.419 -7.283 1.00 0.37 O ATOM 2439 CB ILE B 57 -9.680 6.776 -4.868 1.00 0.40 C ATOM 2440 CG1 ILE B 57 -9.077 8.145 -4.558 1.00 0.48 C ATOM 2441 CG2 ILE B 57 -8.798 5.665 -4.343 1.00 0.59 C ATOM 2442 CD1 ILE B 57 -8.980 8.446 -3.083 1.00 1.00 C ATOM 0 H ILE B 57 -11.391 8.041 -6.110 1.00 0.42 H new ATOM 0 HA ILE B 57 -8.939 6.800 -6.895 1.00 0.39 H new ATOM 0 HB ILE B 57 -10.647 6.706 -4.370 1.00 0.40 H new ATOM 0 HG12 ILE B 57 -8.081 8.201 -4.997 1.00 0.48 H new ATOM 0 HG13 ILE B 57 -9.681 8.915 -5.038 1.00 0.48 H new ATOM 0 HG21 ILE B 57 -8.662 5.785 -3.268 1.00 0.59 H new ATOM 0 HG22 ILE B 57 -9.267 4.702 -4.544 1.00 0.59 H new ATOM 0 HG23 ILE B 57 -7.828 5.706 -4.838 1.00 0.59 H new ATOM 0 HD11 ILE B 57 -8.543 9.434 -2.941 1.00 1.00 H new ATOM 0 HD12 ILE B 57 -9.976 8.423 -2.641 1.00 1.00 H new ATOM 0 HD13 ILE B 57 -8.351 7.698 -2.600 1.00 1.00 H new ATOM 2454 N PHE B 58 -11.565 4.887 -6.270 1.00 0.35 N ATOM 2455 CA PHE B 58 -12.147 3.566 -6.479 1.00 0.36 C ATOM 2456 C PHE B 58 -12.082 3.177 -7.943 1.00 0.41 C ATOM 2457 O PHE B 58 -11.719 2.060 -8.288 1.00 0.44 O ATOM 2458 CB PHE B 58 -13.607 3.554 -6.022 1.00 0.38 C ATOM 2459 CG PHE B 58 -14.296 2.243 -6.257 1.00 0.52 C ATOM 2460 CD1 PHE B 58 -14.075 1.167 -5.416 1.00 1.52 C ATOM 2461 CD2 PHE B 58 -15.161 2.089 -7.324 1.00 1.11 C ATOM 2462 CE1 PHE B 58 -14.708 -0.038 -5.636 1.00 1.67 C ATOM 2463 CE2 PHE B 58 -15.795 0.888 -7.548 1.00 1.16 C ATOM 2464 CZ PHE B 58 -15.569 -0.177 -6.703 1.00 0.93 C ATOM 0 H PHE B 58 -12.180 5.539 -5.783 1.00 0.35 H new ATOM 0 HA PHE B 58 -11.573 2.848 -5.893 1.00 0.36 H new ATOM 0 HB2 PHE B 58 -13.649 3.792 -4.959 1.00 0.38 H new ATOM 0 HB3 PHE B 58 -14.150 4.340 -6.546 1.00 0.38 H new ATOM 0 HD1 PHE B 58 -13.400 1.272 -4.579 1.00 1.52 H new ATOM 0 HD2 PHE B 58 -15.341 2.920 -7.989 1.00 1.11 H new ATOM 0 HE1 PHE B 58 -14.529 -0.872 -4.973 1.00 1.67 H new ATOM 0 HE2 PHE B 58 -16.469 0.780 -8.385 1.00 1.16 H new ATOM 0 HZ PHE B 58 -16.066 -1.120 -6.877 1.00 0.93 H new ATOM 2474 N GLN B 59 -12.427 4.125 -8.789 1.00 0.45 N ATOM 2475 CA GLN B 59 -12.450 3.924 -10.222 1.00 0.52 C ATOM 2476 C GLN B 59 -11.032 3.801 -10.761 1.00 0.52 C ATOM 2477 O GLN B 59 -10.806 3.197 -11.810 1.00 0.57 O ATOM 2478 CB GLN B 59 -13.186 5.088 -10.882 1.00 0.58 C ATOM 2479 CG GLN B 59 -14.650 5.190 -10.467 1.00 0.61 C ATOM 2480 CD GLN B 59 -15.429 3.913 -10.731 1.00 1.10 C ATOM 2481 OE1 GLN B 59 -16.359 3.583 -9.998 1.00 1.91 O ATOM 2482 NE2 GLN B 59 -15.064 3.193 -11.781 1.00 1.63 N ATOM 0 H GLN B 59 -12.701 5.064 -8.499 1.00 0.45 H new ATOM 0 HA GLN B 59 -12.976 2.997 -10.452 1.00 0.52 H new ATOM 0 HB2 GLN B 59 -12.679 6.019 -10.630 1.00 0.58 H new ATOM 0 HB3 GLN B 59 -13.130 4.977 -11.965 1.00 0.58 H new ATOM 0 HG2 GLN B 59 -14.706 5.431 -9.405 1.00 0.61 H new ATOM 0 HG3 GLN B 59 -15.119 6.014 -11.006 1.00 0.61 H new ATOM 0 HE21 GLN B 59 -14.287 3.501 -12.365 1.00 1.63 H new ATOM 0 HE22 GLN B 59 -15.560 2.331 -12.006 1.00 1.63 H new ATOM 2491 N GLY B 60 -10.083 4.377 -10.034 1.00 0.48 N ATOM 2492 CA GLY B 60 -8.685 4.201 -10.361 1.00 0.49 C ATOM 2493 C GLY B 60 -8.220 2.780 -10.097 1.00 0.47 C ATOM 2494 O GLY B 60 -7.259 2.309 -10.706 1.00 0.53 O ATOM 0 H GLY B 60 -10.260 4.966 -9.220 1.00 0.48 H new ATOM 0 HA2 GLY B 60 -8.523 4.448 -11.410 1.00 0.49 H new ATOM 0 HA3 GLY B 60 -8.084 4.895 -9.774 1.00 0.49 H new ATOM 2498 N LEU B 61 -8.905 2.094 -9.186 1.00 0.42 N ATOM 2499 CA LEU B 61 -8.596 0.701 -8.892 1.00 0.44 C ATOM 2500 C LEU B 61 -9.444 -0.198 -9.772 1.00 0.51 C ATOM 2501 O LEU B 61 -8.947 -1.163 -10.346 1.00 0.59 O ATOM 2502 CB LEU B 61 -8.861 0.369 -7.417 1.00 0.39 C ATOM 2503 CG LEU B 61 -8.880 1.567 -6.473 1.00 0.34 C ATOM 2504 CD1 LEU B 61 -9.499 1.169 -5.147 1.00 0.31 C ATOM 2505 CD2 LEU B 61 -7.472 2.114 -6.268 1.00 0.35 C ATOM 0 H LEU B 61 -9.676 2.480 -8.641 1.00 0.42 H new ATOM 0 HA LEU B 61 -7.537 0.536 -9.093 1.00 0.44 H new ATOM 0 HB2 LEU B 61 -9.819 -0.146 -7.344 1.00 0.39 H new ATOM 0 HB3 LEU B 61 -8.097 -0.330 -7.076 1.00 0.39 H new ATOM 0 HG LEU B 61 -9.485 2.356 -6.920 1.00 0.34 H new ATOM 0 HD11 LEU B 61 -9.509 2.029 -4.478 1.00 0.31 H new ATOM 0 HD12 LEU B 61 -10.520 0.824 -5.311 1.00 0.31 H new ATOM 0 HD13 LEU B 61 -8.913 0.367 -4.698 1.00 0.31 H new ATOM 0 HD21 LEU B 61 -7.508 2.968 -5.592 1.00 0.35 H new ATOM 0 HD22 LEU B 61 -6.839 1.338 -5.839 1.00 0.35 H new ATOM 0 HD23 LEU B 61 -7.061 2.428 -7.227 1.00 0.35 H new ATOM 2517 N ASP B 62 -10.724 0.150 -9.872 1.00 0.51 N ATOM 2518 CA ASP B 62 -11.684 -0.580 -10.694 1.00 0.59 C ATOM 2519 C ASP B 62 -11.394 -0.356 -12.175 1.00 0.70 C ATOM 2520 O ASP B 62 -12.092 0.388 -12.869 1.00 0.75 O ATOM 2521 CB ASP B 62 -13.112 -0.140 -10.345 1.00 0.57 C ATOM 2522 CG ASP B 62 -14.185 -0.849 -11.161 1.00 0.64 C ATOM 2523 OD1 ASP B 62 -14.117 -2.088 -11.314 1.00 1.40 O ATOM 2524 OD2 ASP B 62 -15.118 -0.166 -11.640 1.00 1.11 O ATOM 0 H ASP B 62 -11.126 0.950 -9.383 1.00 0.51 H new ATOM 0 HA ASP B 62 -11.589 -1.646 -10.488 1.00 0.59 H new ATOM 0 HB2 ASP B 62 -13.292 -0.325 -9.286 1.00 0.57 H new ATOM 0 HB3 ASP B 62 -13.200 0.935 -10.501 1.00 0.57 H new ATOM 2529 N ALA B 63 -10.335 -0.994 -12.642 1.00 0.78 N ATOM 2530 CA ALA B 63 -9.928 -0.910 -14.034 1.00 0.94 C ATOM 2531 C ALA B 63 -10.880 -1.697 -14.913 1.00 1.12 C ATOM 2532 O ALA B 63 -11.012 -1.435 -16.106 1.00 1.31 O ATOM 2533 CB ALA B 63 -8.517 -1.441 -14.194 1.00 1.00 C ATOM 0 H ALA B 63 -9.733 -1.584 -12.068 1.00 0.78 H new ATOM 0 HA ALA B 63 -9.953 0.135 -14.342 1.00 0.94 H new ATOM 0 HB1 ALA B 63 -8.220 -1.374 -15.241 1.00 1.00 H new ATOM 0 HB2 ALA B 63 -7.834 -0.849 -13.584 1.00 1.00 H new ATOM 0 HB3 ALA B 63 -8.481 -2.482 -13.872 1.00 1.00 H new ATOM 2539 N ASN B 64 -11.547 -2.661 -14.303 1.00 1.10 N ATOM 2540 CA ASN B 64 -12.484 -3.514 -15.015 1.00 1.28 C ATOM 2541 C ASN B 64 -13.799 -2.785 -15.244 1.00 1.22 C ATOM 2542 O ASN B 64 -14.606 -3.174 -16.087 1.00 1.37 O ATOM 2543 CB ASN B 64 -12.731 -4.802 -14.228 1.00 1.34 C ATOM 2544 CG ASN B 64 -11.482 -5.648 -14.074 1.00 2.04 C ATOM 2545 OD1 ASN B 64 -11.178 -6.485 -14.924 1.00 2.56 O ATOM 2546 ND2 ASN B 64 -10.755 -5.450 -12.982 1.00 2.80 N ATOM 0 H ASN B 64 -11.456 -2.874 -13.310 1.00 1.10 H new ATOM 0 HA ASN B 64 -12.052 -3.768 -15.983 1.00 1.28 H new ATOM 0 HB2 ASN B 64 -13.117 -4.550 -13.240 1.00 1.34 H new ATOM 0 HB3 ASN B 64 -13.501 -5.387 -14.731 1.00 1.34 H new ATOM 0 HD21 ASN B 64 -9.911 -6.001 -12.824 1.00 2.80 H new ATOM 0 HD22 ASN B 64 -11.040 -4.747 -12.300 1.00 2.80 H new ATOM 2553 N GLN B 65 -13.990 -1.713 -14.473 1.00 1.04 N ATOM 2554 CA GLN B 65 -15.175 -0.865 -14.557 1.00 1.06 C ATOM 2555 C GLN B 65 -16.444 -1.647 -14.255 1.00 1.04 C ATOM 2556 O GLN B 65 -17.507 -1.370 -14.809 1.00 1.17 O ATOM 2557 CB GLN B 65 -15.273 -0.176 -15.919 1.00 1.32 C ATOM 2558 CG GLN B 65 -14.167 0.835 -16.153 1.00 1.38 C ATOM 2559 CD GLN B 65 -14.380 1.660 -17.404 1.00 2.03 C ATOM 2560 OE1 GLN B 65 -15.514 1.914 -17.811 1.00 2.72 O ATOM 2561 NE2 GLN B 65 -13.293 2.094 -18.015 1.00 2.58 N ATOM 0 H GLN B 65 -13.319 -1.408 -13.767 1.00 1.04 H new ATOM 0 HA GLN B 65 -15.071 -0.092 -13.796 1.00 1.06 H new ATOM 0 HB2 GLN B 65 -15.240 -0.931 -16.705 1.00 1.32 H new ATOM 0 HB3 GLN B 65 -16.238 0.325 -15.998 1.00 1.32 H new ATOM 0 HG2 GLN B 65 -14.101 1.500 -15.292 1.00 1.38 H new ATOM 0 HG3 GLN B 65 -13.213 0.313 -16.226 1.00 1.38 H new ATOM 0 HE21 GLN B 65 -12.372 1.861 -17.644 1.00 2.58 H new ATOM 0 HE22 GLN B 65 -13.374 2.663 -18.858 1.00 2.58 H new ATOM 2570 N ASP B 66 -16.329 -2.605 -13.351 1.00 0.93 N ATOM 2571 CA ASP B 66 -17.472 -3.410 -12.939 1.00 0.95 C ATOM 2572 C ASP B 66 -18.033 -2.852 -11.638 1.00 0.81 C ATOM 2573 O ASP B 66 -19.069 -3.294 -11.139 1.00 0.82 O ATOM 2574 CB ASP B 66 -17.058 -4.874 -12.760 1.00 1.06 C ATOM 2575 CG ASP B 66 -18.240 -5.796 -12.519 1.00 1.43 C ATOM 2576 OD1 ASP B 66 -18.878 -6.218 -13.506 1.00 2.14 O ATOM 2577 OD2 ASP B 66 -18.535 -6.112 -11.346 1.00 1.88 O ATOM 0 H ASP B 66 -15.454 -2.847 -12.886 1.00 0.93 H new ATOM 0 HA ASP B 66 -18.241 -3.369 -13.711 1.00 0.95 H new ATOM 0 HB2 ASP B 66 -16.520 -5.206 -13.648 1.00 1.06 H new ATOM 0 HB3 ASP B 66 -16.366 -4.951 -11.921 1.00 1.06 H new ATOM 2582 N GLU B 67 -17.324 -1.854 -11.120 1.00 0.73 N ATOM 2583 CA GLU B 67 -17.648 -1.196 -9.863 1.00 0.63 C ATOM 2584 C GLU B 67 -17.420 -2.148 -8.695 1.00 0.58 C ATOM 2585 O GLU B 67 -18.282 -2.331 -7.833 1.00 0.61 O ATOM 2586 CB GLU B 67 -19.079 -0.642 -9.851 1.00 0.68 C ATOM 2587 CG GLU B 67 -19.324 0.358 -8.729 1.00 0.97 C ATOM 2588 CD GLU B 67 -20.748 0.864 -8.687 1.00 1.42 C ATOM 2589 OE1 GLU B 67 -21.074 1.804 -9.445 1.00 2.00 O ATOM 2590 OE2 GLU B 67 -21.545 0.334 -7.890 1.00 2.01 O ATOM 0 H GLU B 67 -16.493 -1.474 -11.572 1.00 0.73 H new ATOM 0 HA GLU B 67 -16.979 -0.342 -9.756 1.00 0.63 H new ATOM 0 HB2 GLU B 67 -19.284 -0.162 -10.808 1.00 0.68 H new ATOM 0 HB3 GLU B 67 -19.782 -1.469 -9.752 1.00 0.68 H new ATOM 0 HG2 GLU B 67 -19.082 -0.109 -7.774 1.00 0.97 H new ATOM 0 HG3 GLU B 67 -18.647 1.204 -8.850 1.00 0.97 H new ATOM 2597 N GLN B 68 -16.248 -2.762 -8.682 1.00 0.62 N ATOM 2598 CA GLN B 68 -15.838 -3.604 -7.574 1.00 0.66 C ATOM 2599 C GLN B 68 -14.337 -3.487 -7.367 1.00 0.66 C ATOM 2600 O GLN B 68 -13.580 -3.323 -8.322 1.00 0.78 O ATOM 2601 CB GLN B 68 -16.233 -5.066 -7.806 1.00 0.86 C ATOM 2602 CG GLN B 68 -15.511 -5.729 -8.966 1.00 1.38 C ATOM 2603 CD GLN B 68 -15.902 -7.182 -9.149 1.00 1.64 C ATOM 2604 OE1 GLN B 68 -16.282 -7.843 -8.065 1.00 2.16 O flip ATOM 2605 NE2 GLN B 68 -15.864 -7.706 -10.260 1.00 2.07 N flip ATOM 0 H GLN B 68 -15.561 -2.691 -9.433 1.00 0.62 H new ATOM 0 HA GLN B 68 -16.353 -3.262 -6.676 1.00 0.66 H new ATOM 0 HB2 GLN B 68 -16.034 -5.633 -6.897 1.00 0.86 H new ATOM 0 HB3 GLN B 68 -17.307 -5.117 -7.984 1.00 0.86 H new ATOM 0 HG2 GLN B 68 -15.727 -5.181 -9.883 1.00 1.38 H new ATOM 0 HG3 GLN B 68 -14.435 -5.665 -8.803 1.00 1.38 H new ATOM 0 HE21 GLN B 68 -15.566 -7.163 -11.070 1.00 2.07 H new ATOM 0 HE22 GLN B 68 -16.131 -8.684 -10.372 1.00 2.07 H new ATOM 2614 N VAL B 69 -13.922 -3.531 -6.117 1.00 0.59 N ATOM 2615 CA VAL B 69 -12.519 -3.460 -5.770 1.00 0.64 C ATOM 2616 C VAL B 69 -11.987 -4.830 -5.317 1.00 0.64 C ATOM 2617 O VAL B 69 -12.338 -5.339 -4.250 1.00 0.68 O ATOM 2618 CB VAL B 69 -12.283 -2.382 -4.680 1.00 0.72 C ATOM 2619 CG1 VAL B 69 -13.142 -2.628 -3.447 1.00 1.81 C ATOM 2620 CG2 VAL B 69 -10.818 -2.303 -4.303 1.00 1.22 C ATOM 0 H VAL B 69 -14.547 -3.617 -5.316 1.00 0.59 H new ATOM 0 HA VAL B 69 -11.964 -3.171 -6.662 1.00 0.64 H new ATOM 0 HB VAL B 69 -12.582 -1.423 -5.104 1.00 0.72 H new ATOM 0 HG11 VAL B 69 -12.947 -1.852 -2.707 1.00 1.81 H new ATOM 0 HG12 VAL B 69 -14.195 -2.607 -3.727 1.00 1.81 H new ATOM 0 HG13 VAL B 69 -12.899 -3.602 -3.023 1.00 1.81 H new ATOM 0 HG21 VAL B 69 -10.680 -1.540 -3.537 1.00 1.22 H new ATOM 0 HG22 VAL B 69 -10.489 -3.268 -3.917 1.00 1.22 H new ATOM 0 HG23 VAL B 69 -10.229 -2.045 -5.183 1.00 1.22 H new ATOM 2630 N ASP B 70 -11.170 -5.441 -6.170 1.00 0.67 N ATOM 2631 CA ASP B 70 -10.477 -6.692 -5.839 1.00 0.73 C ATOM 2632 C ASP B 70 -9.477 -6.441 -4.713 1.00 0.64 C ATOM 2633 O ASP B 70 -9.180 -5.290 -4.407 1.00 0.56 O ATOM 2634 CB ASP B 70 -9.739 -7.208 -7.085 1.00 0.84 C ATOM 2635 CG ASP B 70 -9.124 -8.588 -6.928 1.00 1.38 C ATOM 2636 OD1 ASP B 70 -8.023 -8.701 -6.344 1.00 1.98 O ATOM 2637 OD2 ASP B 70 -9.721 -9.566 -7.420 1.00 2.02 O ATOM 0 H ASP B 70 -10.967 -5.089 -7.106 1.00 0.67 H new ATOM 0 HA ASP B 70 -11.202 -7.437 -5.512 1.00 0.73 H new ATOM 0 HB2 ASP B 70 -10.437 -7.228 -7.922 1.00 0.84 H new ATOM 0 HB3 ASP B 70 -8.951 -6.501 -7.344 1.00 0.84 H new ATOM 2642 N PHE B 71 -8.944 -7.491 -4.099 1.00 0.70 N ATOM 2643 CA PHE B 71 -7.891 -7.310 -3.105 1.00 0.67 C ATOM 2644 C PHE B 71 -6.700 -6.609 -3.757 1.00 0.56 C ATOM 2645 O PHE B 71 -6.036 -5.783 -3.142 1.00 0.48 O ATOM 2646 CB PHE B 71 -7.437 -8.648 -2.508 1.00 0.83 C ATOM 2647 CG PHE B 71 -8.533 -9.461 -1.873 1.00 1.12 C ATOM 2648 CD1 PHE B 71 -9.613 -8.851 -1.252 1.00 1.50 C ATOM 2649 CD2 PHE B 71 -8.477 -10.847 -1.897 1.00 1.93 C ATOM 2650 CE1 PHE B 71 -10.613 -9.608 -0.670 1.00 1.76 C ATOM 2651 CE2 PHE B 71 -9.475 -11.606 -1.316 1.00 2.18 C ATOM 2652 CZ PHE B 71 -10.544 -10.986 -0.702 1.00 1.77 C ATOM 0 H PHE B 71 -9.216 -8.460 -4.267 1.00 0.70 H new ATOM 0 HA PHE B 71 -8.291 -6.703 -2.293 1.00 0.67 H new ATOM 0 HB2 PHE B 71 -6.973 -9.242 -3.295 1.00 0.83 H new ATOM 0 HB3 PHE B 71 -6.668 -8.454 -1.760 1.00 0.83 H new ATOM 0 HD1 PHE B 71 -9.673 -7.773 -1.223 1.00 1.50 H new ATOM 0 HD2 PHE B 71 -7.643 -11.339 -2.376 1.00 1.93 H new ATOM 0 HE1 PHE B 71 -11.449 -9.121 -0.190 1.00 1.76 H new ATOM 0 HE2 PHE B 71 -9.418 -12.684 -1.342 1.00 2.18 H new ATOM 0 HZ PHE B 71 -11.325 -11.578 -0.248 1.00 1.77 H new ATOM 2662 N GLN B 72 -6.458 -6.950 -5.018 1.00 0.60 N ATOM 2663 CA GLN B 72 -5.419 -6.325 -5.826 1.00 0.57 C ATOM 2664 C GLN B 72 -5.735 -4.857 -6.085 1.00 0.50 C ATOM 2665 O GLN B 72 -4.863 -3.996 -6.008 1.00 0.47 O ATOM 2666 CB GLN B 72 -5.296 -7.068 -7.156 1.00 0.70 C ATOM 2667 CG GLN B 72 -4.320 -6.440 -8.129 1.00 0.75 C ATOM 2668 CD GLN B 72 -4.404 -7.065 -9.506 1.00 1.09 C ATOM 2669 OE1 GLN B 72 -5.188 -6.635 -10.353 1.00 1.67 O ATOM 2670 NE2 GLN B 72 -3.598 -8.085 -9.737 1.00 1.66 N ATOM 0 H GLN B 72 -6.982 -7.673 -5.511 1.00 0.60 H new ATOM 0 HA GLN B 72 -4.477 -6.379 -5.281 1.00 0.57 H new ATOM 0 HB2 GLN B 72 -4.986 -8.094 -6.959 1.00 0.70 H new ATOM 0 HB3 GLN B 72 -6.279 -7.116 -7.625 1.00 0.70 H new ATOM 0 HG2 GLN B 72 -4.521 -5.371 -8.204 1.00 0.75 H new ATOM 0 HG3 GLN B 72 -3.306 -6.547 -7.744 1.00 0.75 H new ATOM 0 HE21 GLN B 72 -2.964 -8.409 -9.007 1.00 1.66 H new ATOM 0 HE22 GLN B 72 -3.610 -8.549 -10.645 1.00 1.66 H new ATOM 2679 N GLU B 73 -6.990 -4.579 -6.384 1.00 0.50 N ATOM 2680 CA GLU B 73 -7.421 -3.220 -6.662 1.00 0.47 C ATOM 2681 C GLU B 73 -7.460 -2.408 -5.368 1.00 0.36 C ATOM 2682 O GLU B 73 -7.217 -1.202 -5.364 1.00 0.33 O ATOM 2683 CB GLU B 73 -8.773 -3.251 -7.382 1.00 0.56 C ATOM 2684 CG GLU B 73 -8.704 -4.027 -8.694 1.00 0.78 C ATOM 2685 CD GLU B 73 -10.036 -4.162 -9.408 1.00 1.16 C ATOM 2686 OE1 GLU B 73 -10.963 -4.766 -8.833 1.00 1.99 O ATOM 2687 OE2 GLU B 73 -10.140 -3.713 -10.571 1.00 1.82 O ATOM 0 H GLU B 73 -7.731 -5.277 -6.441 1.00 0.50 H new ATOM 0 HA GLU B 73 -6.709 -2.726 -7.323 1.00 0.47 H new ATOM 0 HB2 GLU B 73 -9.520 -3.705 -6.731 1.00 0.56 H new ATOM 0 HB3 GLU B 73 -9.101 -2.231 -7.581 1.00 0.56 H new ATOM 0 HG2 GLU B 73 -7.997 -3.532 -9.359 1.00 0.78 H new ATOM 0 HG3 GLU B 73 -8.309 -5.023 -8.494 1.00 0.78 H new ATOM 2694 N PHE B 74 -7.724 -3.086 -4.261 1.00 0.37 N ATOM 2695 CA PHE B 74 -7.627 -2.474 -2.943 1.00 0.34 C ATOM 2696 C PHE B 74 -6.164 -2.281 -2.576 1.00 0.32 C ATOM 2697 O PHE B 74 -5.812 -1.446 -1.744 1.00 0.34 O ATOM 2698 CB PHE B 74 -8.333 -3.347 -1.898 1.00 0.43 C ATOM 2699 CG PHE B 74 -8.241 -2.810 -0.498 1.00 0.78 C ATOM 2700 CD1 PHE B 74 -8.955 -1.682 -0.126 1.00 1.32 C ATOM 2701 CD2 PHE B 74 -7.440 -3.432 0.446 1.00 1.44 C ATOM 2702 CE1 PHE B 74 -8.869 -1.184 1.161 1.00 1.77 C ATOM 2703 CE2 PHE B 74 -7.351 -2.939 1.733 1.00 1.92 C ATOM 2704 CZ PHE B 74 -8.067 -1.814 2.091 1.00 1.90 C ATOM 0 H PHE B 74 -8.009 -4.065 -4.249 1.00 0.37 H new ATOM 0 HA PHE B 74 -8.118 -1.501 -2.963 1.00 0.34 H new ATOM 0 HB2 PHE B 74 -9.384 -3.446 -2.171 1.00 0.43 H new ATOM 0 HB3 PHE B 74 -7.901 -4.348 -1.923 1.00 0.43 H new ATOM 0 HD1 PHE B 74 -9.586 -1.186 -0.849 1.00 1.32 H new ATOM 0 HD2 PHE B 74 -6.878 -4.313 0.172 1.00 1.44 H new ATOM 0 HE1 PHE B 74 -9.429 -0.303 1.438 1.00 1.77 H new ATOM 0 HE2 PHE B 74 -6.722 -3.433 2.459 1.00 1.92 H new ATOM 0 HZ PHE B 74 -8.000 -1.428 3.097 1.00 1.90 H new ATOM 2714 N ILE B 75 -5.316 -3.047 -3.229 1.00 0.33 N ATOM 2715 CA ILE B 75 -3.888 -2.950 -3.032 1.00 0.36 C ATOM 2716 C ILE B 75 -3.365 -1.666 -3.661 1.00 0.34 C ATOM 2717 O ILE B 75 -2.553 -0.951 -3.066 1.00 0.36 O ATOM 2718 CB ILE B 75 -3.195 -4.204 -3.604 1.00 0.41 C ATOM 2719 CG1 ILE B 75 -3.015 -5.227 -2.497 1.00 0.49 C ATOM 2720 CG2 ILE B 75 -1.870 -3.879 -4.264 1.00 0.46 C ATOM 2721 CD1 ILE B 75 -2.740 -6.607 -3.010 1.00 0.67 C ATOM 0 H ILE B 75 -5.598 -3.753 -3.910 1.00 0.33 H new ATOM 0 HA ILE B 75 -3.662 -2.908 -1.967 1.00 0.36 H new ATOM 0 HB ILE B 75 -3.833 -4.619 -4.384 1.00 0.41 H new ATOM 0 HG12 ILE B 75 -2.193 -4.915 -1.853 1.00 0.49 H new ATOM 0 HG13 ILE B 75 -3.913 -5.248 -1.880 1.00 0.49 H new ATOM 0 HG21 ILE B 75 -1.422 -4.794 -4.651 1.00 0.46 H new ATOM 0 HG22 ILE B 75 -2.034 -3.181 -5.085 1.00 0.46 H new ATOM 0 HG23 ILE B 75 -1.200 -3.428 -3.532 1.00 0.46 H new ATOM 0 HD11 ILE B 75 -2.621 -7.291 -2.169 1.00 0.67 H new ATOM 0 HD12 ILE B 75 -3.573 -6.937 -3.631 1.00 0.67 H new ATOM 0 HD13 ILE B 75 -1.826 -6.599 -3.603 1.00 0.67 H new ATOM 2733 N SER B 76 -3.867 -1.352 -4.848 1.00 0.34 N ATOM 2734 CA SER B 76 -3.564 -0.082 -5.470 1.00 0.36 C ATOM 2735 C SER B 76 -4.205 1.054 -4.677 1.00 0.31 C ATOM 2736 O SER B 76 -3.683 2.157 -4.634 1.00 0.33 O ATOM 2737 CB SER B 76 -4.026 -0.077 -6.927 1.00 0.45 C ATOM 2738 OG SER B 76 -5.243 -0.788 -7.089 1.00 0.74 O ATOM 0 H SER B 76 -4.481 -1.958 -5.392 1.00 0.34 H new ATOM 0 HA SER B 76 -2.485 0.069 -5.466 1.00 0.36 H new ATOM 0 HB2 SER B 76 -4.156 0.951 -7.265 1.00 0.45 H new ATOM 0 HB3 SER B 76 -3.256 -0.524 -7.556 1.00 0.45 H new ATOM 0 HG SER B 76 -5.837 -0.597 -6.333 1.00 0.74 H new ATOM 2744 N LEU B 77 -5.319 0.758 -4.016 1.00 0.28 N ATOM 2745 CA LEU B 77 -6.004 1.737 -3.173 1.00 0.26 C ATOM 2746 C LEU B 77 -5.065 2.257 -2.095 1.00 0.23 C ATOM 2747 O LEU B 77 -4.943 3.465 -1.889 1.00 0.23 O ATOM 2748 CB LEU B 77 -7.251 1.088 -2.548 1.00 0.30 C ATOM 2749 CG LEU B 77 -8.077 1.934 -1.563 1.00 0.38 C ATOM 2750 CD1 LEU B 77 -7.484 1.899 -0.159 1.00 1.11 C ATOM 2751 CD2 LEU B 77 -8.201 3.366 -2.051 1.00 1.14 C ATOM 0 H LEU B 77 -5.770 -0.156 -4.047 1.00 0.28 H new ATOM 0 HA LEU B 77 -6.315 2.585 -3.782 1.00 0.26 H new ATOM 0 HB2 LEU B 77 -7.910 0.777 -3.359 1.00 0.30 H new ATOM 0 HB3 LEU B 77 -6.935 0.183 -2.030 1.00 0.30 H new ATOM 0 HG LEU B 77 -9.074 1.496 -1.515 1.00 0.38 H new ATOM 0 HD11 LEU B 77 -8.094 2.508 0.509 1.00 1.11 H new ATOM 0 HD12 LEU B 77 -7.465 0.871 0.203 1.00 1.11 H new ATOM 0 HD13 LEU B 77 -6.468 2.294 -0.183 1.00 1.11 H new ATOM 0 HD21 LEU B 77 -8.789 3.944 -1.338 1.00 1.14 H new ATOM 0 HD22 LEU B 77 -7.208 3.806 -2.144 1.00 1.14 H new ATOM 0 HD23 LEU B 77 -8.695 3.378 -3.023 1.00 1.14 H new ATOM 2763 N VAL B 78 -4.397 1.341 -1.416 1.00 0.24 N ATOM 2764 CA VAL B 78 -3.472 1.712 -0.361 1.00 0.25 C ATOM 2765 C VAL B 78 -2.290 2.458 -0.947 1.00 0.27 C ATOM 2766 O VAL B 78 -1.738 3.343 -0.316 1.00 0.28 O ATOM 2767 CB VAL B 78 -2.974 0.485 0.409 1.00 0.29 C ATOM 2768 CG1 VAL B 78 -2.138 0.911 1.602 1.00 0.33 C ATOM 2769 CG2 VAL B 78 -4.153 -0.372 0.842 1.00 0.31 C ATOM 0 H VAL B 78 -4.478 0.337 -1.576 1.00 0.24 H new ATOM 0 HA VAL B 78 -4.006 2.357 0.337 1.00 0.25 H new ATOM 0 HB VAL B 78 -2.340 -0.112 -0.246 1.00 0.29 H new ATOM 0 HG11 VAL B 78 -1.792 0.027 2.138 1.00 0.33 H new ATOM 0 HG12 VAL B 78 -1.278 1.486 1.257 1.00 0.33 H new ATOM 0 HG13 VAL B 78 -2.742 1.526 2.269 1.00 0.33 H new ATOM 0 HG21 VAL B 78 -3.789 -1.242 1.389 1.00 0.31 H new ATOM 0 HG22 VAL B 78 -4.810 0.212 1.486 1.00 0.31 H new ATOM 0 HG23 VAL B 78 -4.706 -0.701 -0.038 1.00 0.31 H new ATOM 2779 N ALA B 79 -1.922 2.100 -2.165 1.00 0.31 N ATOM 2780 CA ALA B 79 -0.882 2.810 -2.891 1.00 0.36 C ATOM 2781 C ALA B 79 -1.293 4.267 -3.109 1.00 0.33 C ATOM 2782 O ALA B 79 -0.497 5.190 -2.929 1.00 0.34 O ATOM 2783 CB ALA B 79 -0.622 2.111 -4.217 1.00 0.43 C ATOM 0 H ALA B 79 -2.331 1.317 -2.675 1.00 0.31 H new ATOM 0 HA ALA B 79 0.039 2.805 -2.308 1.00 0.36 H new ATOM 0 HB1 ALA B 79 0.158 2.643 -4.762 1.00 0.43 H new ATOM 0 HB2 ALA B 79 -0.300 1.086 -4.031 1.00 0.43 H new ATOM 0 HB3 ALA B 79 -1.537 2.102 -4.809 1.00 0.43 H new ATOM 2789 N ILE B 80 -2.552 4.454 -3.484 1.00 0.32 N ATOM 2790 CA ILE B 80 -3.142 5.780 -3.627 1.00 0.32 C ATOM 2791 C ILE B 80 -3.093 6.530 -2.301 1.00 0.28 C ATOM 2792 O ILE B 80 -2.728 7.707 -2.242 1.00 0.31 O ATOM 2793 CB ILE B 80 -4.614 5.680 -4.117 1.00 0.34 C ATOM 2794 CG1 ILE B 80 -4.687 5.618 -5.646 1.00 0.38 C ATOM 2795 CG2 ILE B 80 -5.451 6.839 -3.598 1.00 0.36 C ATOM 2796 CD1 ILE B 80 -3.879 4.499 -6.260 1.00 0.40 C ATOM 0 H ILE B 80 -3.194 3.691 -3.698 1.00 0.32 H new ATOM 0 HA ILE B 80 -2.562 6.328 -4.370 1.00 0.32 H new ATOM 0 HB ILE B 80 -5.025 4.754 -3.715 1.00 0.34 H new ATOM 0 HG12 ILE B 80 -5.729 5.504 -5.944 1.00 0.38 H new ATOM 0 HG13 ILE B 80 -4.340 6.567 -6.054 1.00 0.38 H new ATOM 0 HG21 ILE B 80 -6.475 6.739 -3.959 1.00 0.36 H new ATOM 0 HG22 ILE B 80 -5.448 6.831 -2.508 1.00 0.36 H new ATOM 0 HG23 ILE B 80 -5.031 7.779 -3.955 1.00 0.36 H new ATOM 0 HD11 ILE B 80 -3.985 4.526 -7.344 1.00 0.40 H new ATOM 0 HD12 ILE B 80 -2.829 4.621 -5.995 1.00 0.40 H new ATOM 0 HD13 ILE B 80 -4.239 3.541 -5.884 1.00 0.40 H new ATOM 2808 N ALA B 81 -3.450 5.835 -1.239 1.00 0.23 N ATOM 2809 CA ALA B 81 -3.503 6.431 0.079 1.00 0.23 C ATOM 2810 C ALA B 81 -2.104 6.707 0.620 1.00 0.23 C ATOM 2811 O ALA B 81 -1.903 7.636 1.396 1.00 0.28 O ATOM 2812 CB ALA B 81 -4.291 5.537 1.011 1.00 0.24 C ATOM 0 H ALA B 81 -3.709 4.849 -1.265 1.00 0.23 H new ATOM 0 HA ALA B 81 -4.010 7.393 0.008 1.00 0.23 H new ATOM 0 HB1 ALA B 81 -4.329 5.988 2.002 1.00 0.24 H new ATOM 0 HB2 ALA B 81 -5.304 5.416 0.628 1.00 0.24 H new ATOM 0 HB3 ALA B 81 -3.808 4.562 1.075 1.00 0.24 H new ATOM 2818 N LEU B 82 -1.143 5.898 0.200 1.00 0.22 N ATOM 2819 CA LEU B 82 0.255 6.122 0.532 1.00 0.23 C ATOM 2820 C LEU B 82 0.759 7.375 -0.162 1.00 0.24 C ATOM 2821 O LEU B 82 1.623 8.086 0.359 1.00 0.30 O ATOM 2822 CB LEU B 82 1.108 4.928 0.118 1.00 0.25 C ATOM 2823 CG LEU B 82 0.949 3.674 0.972 1.00 0.27 C ATOM 2824 CD1 LEU B 82 1.739 2.538 0.365 1.00 0.33 C ATOM 2825 CD2 LEU B 82 1.404 3.933 2.400 1.00 0.32 C ATOM 0 H LEU B 82 -1.309 5.073 -0.377 1.00 0.22 H new ATOM 0 HA LEU B 82 0.334 6.248 1.612 1.00 0.23 H new ATOM 0 HB2 LEU B 82 0.869 4.675 -0.915 1.00 0.25 H new ATOM 0 HB3 LEU B 82 2.156 5.229 0.138 1.00 0.25 H new ATOM 0 HG LEU B 82 -0.106 3.400 0.998 1.00 0.27 H new ATOM 0 HD11 LEU B 82 1.622 1.645 0.979 1.00 0.33 H new ATOM 0 HD12 LEU B 82 1.373 2.337 -0.642 1.00 0.33 H new ATOM 0 HD13 LEU B 82 2.793 2.811 0.319 1.00 0.33 H new ATOM 0 HD21 LEU B 82 1.282 3.025 2.991 1.00 0.32 H new ATOM 0 HD22 LEU B 82 2.454 4.227 2.400 1.00 0.32 H new ATOM 0 HD23 LEU B 82 0.803 4.732 2.834 1.00 0.32 H new ATOM 2837 N LYS B 83 0.221 7.642 -1.345 1.00 0.26 N ATOM 2838 CA LYS B 83 0.530 8.878 -2.037 1.00 0.33 C ATOM 2839 C LYS B 83 -0.031 10.054 -1.259 1.00 0.31 C ATOM 2840 O LYS B 83 0.617 11.084 -1.110 1.00 0.44 O ATOM 2841 CB LYS B 83 -0.023 8.890 -3.466 1.00 0.42 C ATOM 2842 CG LYS B 83 1.052 8.926 -4.539 1.00 0.66 C ATOM 2843 CD LYS B 83 2.156 9.883 -4.146 1.00 1.04 C ATOM 2844 CE LYS B 83 3.132 10.144 -5.269 1.00 0.80 C ATOM 2845 NZ LYS B 83 3.830 8.925 -5.708 1.00 1.67 N ATOM 0 H LYS B 83 -0.424 7.024 -1.838 1.00 0.26 H new ATOM 0 HA LYS B 83 1.615 8.958 -2.103 1.00 0.33 H new ATOM 0 HB2 LYS B 83 -0.641 8.005 -3.614 1.00 0.42 H new ATOM 0 HB3 LYS B 83 -0.673 9.757 -3.587 1.00 0.42 H new ATOM 0 HG2 LYS B 83 1.463 7.927 -4.685 1.00 0.66 H new ATOM 0 HG3 LYS B 83 0.616 9.234 -5.490 1.00 0.66 H new ATOM 0 HD2 LYS B 83 1.715 10.828 -3.827 1.00 1.04 H new ATOM 0 HD3 LYS B 83 2.695 9.477 -3.290 1.00 1.04 H new ATOM 0 HE2 LYS B 83 2.599 10.577 -6.115 1.00 0.80 H new ATOM 0 HE3 LYS B 83 3.866 10.881 -4.943 1.00 0.80 H new ATOM 0 HZ1 LYS B 83 4.744 8.852 -5.217 1.00 1.67 H new ATOM 0 HZ2 LYS B 83 3.249 8.092 -5.484 1.00 1.67 H new ATOM 0 HZ3 LYS B 83 3.991 8.968 -6.734 1.00 1.67 H new ATOM 2859 N ALA B 84 -1.238 9.873 -0.753 1.00 0.31 N ATOM 2860 CA ALA B 84 -1.876 10.861 0.098 1.00 0.35 C ATOM 2861 C ALA B 84 -1.140 11.001 1.428 1.00 0.33 C ATOM 2862 O ALA B 84 -1.300 11.989 2.130 1.00 0.40 O ATOM 2863 CB ALA B 84 -3.323 10.485 0.335 1.00 0.48 C ATOM 0 H ALA B 84 -1.802 9.040 -0.920 1.00 0.31 H new ATOM 0 HA ALA B 84 -1.837 11.824 -0.410 1.00 0.35 H new ATOM 0 HB1 ALA B 84 -3.793 11.232 0.974 1.00 0.48 H new ATOM 0 HB2 ALA B 84 -3.849 10.441 -0.619 1.00 0.48 H new ATOM 0 HB3 ALA B 84 -3.371 9.510 0.820 1.00 0.48 H new ATOM 2869 N ALA B 85 -0.379 9.980 1.788 1.00 0.30 N ATOM 2870 CA ALA B 85 0.402 10.005 3.018 1.00 0.38 C ATOM 2871 C ALA B 85 1.738 10.727 2.828 1.00 0.44 C ATOM 2872 O ALA B 85 2.066 11.646 3.576 1.00 0.57 O ATOM 2873 CB ALA B 85 0.629 8.592 3.530 1.00 0.42 C ATOM 0 H ALA B 85 -0.284 9.121 1.246 1.00 0.30 H new ATOM 0 HA ALA B 85 -0.169 10.563 3.760 1.00 0.38 H new ATOM 0 HB1 ALA B 85 1.214 8.628 4.449 1.00 0.42 H new ATOM 0 HB2 ALA B 85 -0.332 8.119 3.730 1.00 0.42 H new ATOM 0 HB3 ALA B 85 1.169 8.015 2.779 1.00 0.42 H new ATOM 2879 N HIS B 86 2.508 10.319 1.824 1.00 0.44 N ATOM 2880 CA HIS B 86 3.849 10.872 1.623 1.00 0.59 C ATOM 2881 C HIS B 86 3.788 12.167 0.822 1.00 0.63 C ATOM 2882 O HIS B 86 4.282 13.206 1.252 1.00 0.72 O ATOM 2883 CB HIS B 86 4.743 9.867 0.891 1.00 0.69 C ATOM 2884 CG HIS B 86 6.202 10.016 1.208 1.00 1.28 C ATOM 2885 ND1 HIS B 86 7.033 8.939 1.430 1.00 2.06 N ATOM 2886 CD2 HIS B 86 6.975 11.119 1.350 1.00 2.11 C ATOM 2887 CE1 HIS B 86 8.250 9.375 1.700 1.00 2.66 C ATOM 2888 NE2 HIS B 86 8.244 10.694 1.659 1.00 2.68 N ATOM 0 H HIS B 86 2.232 9.614 1.141 1.00 0.44 H new ATOM 0 HA HIS B 86 4.271 11.081 2.606 1.00 0.59 H new ATOM 0 HB2 HIS B 86 4.426 8.857 1.149 1.00 0.69 H new ATOM 0 HB3 HIS B 86 4.600 9.982 -0.183 1.00 0.69 H new ATOM 0 HD2 HIS B 86 6.653 12.144 1.240 1.00 2.11 H new ATOM 0 HE1 HIS B 86 9.107 8.755 1.918 1.00 2.66 H new ATOM 0 HE2 HIS B 86 9.048 11.298 1.829 1.00 2.68 H new ATOM 2897 N TYR B 87 3.157 12.083 -0.333 1.00 0.58 N ATOM 2898 CA TYR B 87 3.029 13.199 -1.263 1.00 0.65 C ATOM 2899 C TYR B 87 1.785 14.004 -0.917 1.00 0.62 C ATOM 2900 O TYR B 87 1.144 14.564 -1.799 1.00 0.66 O ATOM 2901 CB TYR B 87 2.980 12.716 -2.710 1.00 0.69 C ATOM 2902 CG TYR B 87 3.626 13.671 -3.688 1.00 0.87 C ATOM 2903 CD1 TYR B 87 5.009 13.738 -3.805 1.00 1.63 C ATOM 2904 CD2 TYR B 87 2.860 14.502 -4.494 1.00 1.43 C ATOM 2905 CE1 TYR B 87 5.608 14.605 -4.697 1.00 1.80 C ATOM 2906 CE2 TYR B 87 3.453 15.373 -5.387 1.00 1.54 C ATOM 2907 CZ TYR B 87 4.826 15.420 -5.485 1.00 1.29 C ATOM 2908 OH TYR B 87 5.420 16.284 -6.377 1.00 1.51 O ATOM 0 H TYR B 87 2.711 11.227 -0.661 1.00 0.58 H new ATOM 0 HA TYR B 87 3.908 13.837 -1.167 1.00 0.65 H new ATOM 0 HB2 TYR B 87 3.476 11.748 -2.778 1.00 0.69 H new ATOM 0 HB3 TYR B 87 1.940 12.562 -2.998 1.00 0.69 H new ATOM 0 HD1 TYR B 87 5.626 13.101 -3.188 1.00 1.63 H new ATOM 0 HD2 TYR B 87 1.783 14.467 -4.422 1.00 1.43 H new ATOM 0 HE1 TYR B 87 6.684 14.644 -4.776 1.00 1.80 H new ATOM 0 HE2 TYR B 87 2.843 16.014 -6.006 1.00 1.54 H new ATOM 0 HH TYR B 87 4.728 16.786 -6.856 1.00 1.51 H new ATOM 2918 N HIS B 88 1.399 13.896 0.360 1.00 0.59 N ATOM 2919 CA HIS B 88 0.175 14.469 0.962 1.00 0.62 C ATOM 2920 C HIS B 88 -0.151 15.934 0.609 1.00 0.70 C ATOM 2921 O HIS B 88 -0.911 16.575 1.330 1.00 0.76 O ATOM 2922 CB HIS B 88 0.270 14.349 2.492 1.00 0.65 C ATOM 2923 CG HIS B 88 1.474 15.011 3.106 1.00 1.54 C ATOM 2924 ND1 HIS B 88 2.476 14.303 3.730 1.00 2.37 N ATOM 2925 CD2 HIS B 88 1.826 16.316 3.201 1.00 2.40 C ATOM 2926 CE1 HIS B 88 3.391 15.138 4.180 1.00 3.26 C ATOM 2927 NE2 HIS B 88 3.022 16.368 3.875 1.00 3.27 N ATOM 0 H HIS B 88 1.956 13.381 1.042 1.00 0.59 H new ATOM 0 HA HIS B 88 -0.639 13.887 0.531 1.00 0.62 H new ATOM 0 HB2 HIS B 88 -0.628 14.782 2.932 1.00 0.65 H new ATOM 0 HB3 HIS B 88 0.279 13.292 2.759 1.00 0.65 H new ATOM 0 HD1 HIS B 88 2.506 13.288 3.829 1.00 2.37 H new ATOM 0 HD2 HIS B 88 1.270 17.159 2.818 1.00 2.40 H new ATOM 0 HE1 HIS B 88 4.291 14.862 4.709 1.00 3.26 H new ATOM 2936 N THR B 89 0.400 16.465 -0.459 1.00 0.73 N ATOM 2937 CA THR B 89 0.037 17.792 -0.902 1.00 0.81 C ATOM 2938 C THR B 89 -1.330 17.742 -1.588 1.00 0.72 C ATOM 2939 O THR B 89 -2.199 18.570 -1.312 1.00 1.05 O ATOM 2940 CB THR B 89 1.104 18.395 -1.851 1.00 0.97 C ATOM 2941 OG1 THR B 89 0.647 19.646 -2.380 1.00 1.27 O ATOM 2942 CG2 THR B 89 1.439 17.446 -2.996 1.00 0.90 C ATOM 0 H THR B 89 1.100 15.999 -1.036 1.00 0.73 H new ATOM 0 HA THR B 89 -0.017 18.442 -0.029 1.00 0.81 H new ATOM 0 HB THR B 89 2.010 18.554 -1.266 1.00 0.97 H new ATOM 0 HG1 THR B 89 -0.104 19.489 -2.989 1.00 1.27 H new ATOM 0 HG21 THR B 89 2.190 17.903 -3.640 1.00 0.90 H new ATOM 0 HG22 THR B 89 1.828 16.511 -2.592 1.00 0.90 H new ATOM 0 HG23 THR B 89 0.539 17.244 -3.576 1.00 0.90 H new ATOM 2950 N HIS B 90 -1.512 16.736 -2.451 1.00 0.66 N ATOM 2951 CA HIS B 90 -2.762 16.507 -3.173 1.00 0.65 C ATOM 2952 C HIS B 90 -2.549 15.469 -4.263 1.00 0.94 C ATOM 2953 O HIS B 90 -2.321 15.796 -5.422 1.00 1.78 O ATOM 2954 CB HIS B 90 -3.361 17.789 -3.795 1.00 0.91 C ATOM 2955 CG HIS B 90 -2.455 18.561 -4.729 1.00 1.72 C ATOM 2956 ND1 HIS B 90 -1.469 19.423 -4.295 1.00 2.44 N ATOM 2957 CD2 HIS B 90 -2.404 18.600 -6.084 1.00 2.68 C ATOM 2958 CE1 HIS B 90 -0.856 19.952 -5.337 1.00 3.32 C ATOM 2959 NE2 HIS B 90 -1.403 19.469 -6.434 1.00 3.47 N ATOM 0 H HIS B 90 -0.786 16.053 -2.668 1.00 0.66 H new ATOM 0 HA HIS B 90 -3.480 16.149 -2.435 1.00 0.65 H new ATOM 0 HB2 HIS B 90 -4.264 17.516 -4.341 1.00 0.91 H new ATOM 0 HB3 HIS B 90 -3.666 18.453 -2.986 1.00 0.91 H new ATOM 0 HD2 HIS B 90 -3.036 18.047 -6.763 1.00 2.68 H new ATOM 0 HE1 HIS B 90 -0.043 20.662 -5.297 1.00 3.32 H new ATOM 0 HE2 HIS B 90 -1.127 19.703 -7.388 1.00 3.47 H new ATOM 2968 N LYS B 91 -2.592 14.210 -3.885 1.00 0.91 N ATOM 2969 CA LYS B 91 -2.589 13.142 -4.872 1.00 1.63 C ATOM 2970 C LYS B 91 -3.873 13.216 -5.702 1.00 2.59 C ATOM 2971 O LYS B 91 -3.927 12.724 -6.832 1.00 3.47 O ATOM 2972 CB LYS B 91 -2.471 11.775 -4.195 1.00 1.10 C ATOM 2973 CG LYS B 91 -2.489 10.609 -5.175 1.00 1.28 C ATOM 2974 CD LYS B 91 -3.497 9.557 -4.757 1.00 0.87 C ATOM 2975 CE LYS B 91 -4.912 10.104 -4.825 1.00 0.78 C ATOM 2976 NZ LYS B 91 -5.432 10.118 -6.218 1.00 1.29 N ATOM 0 H LYS B 91 -2.629 13.899 -2.914 1.00 0.91 H new ATOM 0 HA LYS B 91 -1.726 13.267 -5.526 1.00 1.63 H new ATOM 0 HB2 LYS B 91 -1.546 11.742 -3.620 1.00 1.10 H new ATOM 0 HB3 LYS B 91 -3.291 11.657 -3.487 1.00 1.10 H new ATOM 0 HG2 LYS B 91 -2.732 10.973 -6.173 1.00 1.28 H new ATOM 0 HG3 LYS B 91 -1.496 10.163 -5.232 1.00 1.28 H new ATOM 0 HD2 LYS B 91 -3.408 8.685 -5.405 1.00 0.87 H new ATOM 0 HD3 LYS B 91 -3.280 9.223 -3.742 1.00 0.87 H new ATOM 0 HE2 LYS B 91 -5.567 9.498 -4.199 1.00 0.78 H new ATOM 0 HE3 LYS B 91 -4.931 11.116 -4.420 1.00 0.78 H new ATOM 0 HZ1 LYS B 91 -6.469 10.200 -6.201 1.00 1.29 H new ATOM 0 HZ2 LYS B 91 -5.029 10.928 -6.731 1.00 1.29 H new ATOM 0 HZ3 LYS B 91 -5.162 9.236 -6.698 1.00 1.29 H new ATOM 2990 N GLU B 92 -4.904 13.830 -5.109 1.00 2.69 N ATOM 2991 CA GLU B 92 -6.196 14.039 -5.770 1.00 3.81 C ATOM 2992 C GLU B 92 -6.839 12.709 -6.137 1.00 4.36 C ATOM 2993 O GLU B 92 -6.829 12.346 -7.330 1.00 4.92 O ATOM 2994 CB GLU B 92 -6.044 14.907 -7.026 1.00 4.66 C ATOM 2995 CG GLU B 92 -5.457 16.282 -6.764 1.00 5.74 C ATOM 2996 CD GLU B 92 -5.469 17.158 -8.001 1.00 6.58 C ATOM 2997 OE1 GLU B 92 -4.672 16.904 -8.928 1.00 7.08 O ATOM 2998 OE2 GLU B 92 -6.286 18.101 -8.056 1.00 7.00 O ATOM 2999 OXT GLU B 92 -7.297 12.004 -5.221 1.00 4.64 O ATOM 0 H GLU B 92 -4.865 14.196 -4.158 1.00 2.69 H new ATOM 0 HA GLU B 92 -6.842 14.561 -5.064 1.00 3.81 H new ATOM 0 HB2 GLU B 92 -5.410 14.384 -7.741 1.00 4.66 H new ATOM 0 HB3 GLU B 92 -7.022 15.025 -7.493 1.00 4.66 H new ATOM 0 HG2 GLU B 92 -6.022 16.771 -5.970 1.00 5.74 H new ATOM 0 HG3 GLU B 92 -4.433 16.175 -6.407 1.00 5.74 H new TER 3006 GLU B 92