USER MOD reduce.3.24.130724 H: found=0, std=0, add=1614, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1614 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 66 ASN : amide:sc= -3.26! C(o=-7.1!,f=-8.7!) USER MOD Set 1.2: B 69 SER OG : rot 19:sc= -3.83! USER MOD Set 2.1: B 45 GLN : amide:sc= -10.2! C(o=-16!,f=-23!) USER MOD Set 2.2: B 48 HIS : no HD1:sc= -6.17! C(o=-16!,f=-28!) USER MOD Set 3.1: B 34 ASN : amide:sc= -5.28! C(o=-8.3!,f=-21!) USER MOD Set 3.2: B 36 ASN : amide:sc= -3.02! C(o=-8.3!,f=-9.3!) USER MOD Set 4.1: A 15 THR OG1 : rot 151:sc= 0.576 USER MOD Set 4.2: B 15 THR OG1 : rot -150:sc= 0.507 USER MOD Set 5.1: A 66 ASN : amide:sc= -3.3! C(o=-7.3!,f=-8.8!) USER MOD Set 5.2: A 69 SER OG : rot 19:sc= -4.04! USER MOD Set 6.1: A 45 GLN : amide:sc= -10.2! C(o=-16!,f=-23!) USER MOD Set 6.2: A 48 HIS : no HD1:sc= -5.61! C(o=-16!,f=-28!) USER MOD Set 7.1: A 34 ASN : amide:sc= -5.02! C(o=-8.2!,f=-21!) USER MOD Set 7.2: A 36 ASN : amide:sc= -3.16! C(o=-8.2!,f=-9.2!) USER MOD Single : A 1 MET CE :methyl 134:sc= -2.49! (180deg=-7.63!) USER MOD Single : A 1 MET N :NH3+ -167:sc= -3.08! (180deg=-4.08!) USER MOD Single : A 5 THR OG1 : rot -89:sc= -2.28! USER MOD Single : A 7 THR OG1 : rot 98:sc= -2.85 USER MOD Single : A 18 SER OG : rot 91:sc= 1.23 USER MOD Single : A 19 THR OG1 : rot -74:sc= -0.531 USER MOD Single : A 22 THR OG1 : rot -84:sc= 1.2 USER MOD Single : A 30 LYS NZ :NH3+ -168:sc= -0.0113 (180deg=-0.215) USER MOD Single : A 32 SER OG : rot 180:sc= -0.362 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -98:sc= -2.26! USER MOD Single : A 44 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.37) USER MOD Single : A 51 LYS NZ :NH3+ 171:sc= -1.11 (180deg=-1.29) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl -157:sc= -0.214 (180deg=-0.883) USER MOD Single : A 61 LYS NZ :NH3+ 165:sc= -0.0831 (180deg=-0.393) USER MOD Single : A 62 THR OG1 : rot 75:sc= 1.08 USER MOD Single : A 67 GLN : amide:sc= -14.7! C(o=-15!,f=-9.8!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -149:sc= -0.768! (180deg=-1.32!) USER MOD Single : A 89 LYS NZ :NH3+ 177:sc= -5.23! (180deg=-5.34!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 165:sc= -0.984 (180deg=-1.56) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 148:sc= -1.64 (180deg=-4.61!) USER MOD Single : B 1 MET N :NH3+ -161:sc= -2.33 (180deg=-3.27!) USER MOD Single : B 5 THR OG1 : rot -89:sc= -3.16! USER MOD Single : B 7 THR OG1 : rot 90:sc= -2.36 USER MOD Single : B 18 SER OG : rot 77:sc= 1.18 USER MOD Single : B 19 THR OG1 : rot -76:sc= -1.47! USER MOD Single : B 22 THR OG1 : rot -82:sc= 1.37 USER MOD Single : B 30 LYS NZ :NH3+ -170:sc=-0.00278 (180deg=-0.171) USER MOD Single : B 32 SER OG : rot 180:sc= -0.363 USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 THR OG1 : rot -82:sc= -2.3! USER MOD Single : B 44 GLN : amide:sc= -1.15 K(o=-1.2,f=-0.24) USER MOD Single : B 51 LYS NZ :NH3+ 166:sc= -0.991 (180deg=-1.11) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 60 MET CE :methyl -155:sc= -0.189 (180deg=-0.878) USER MOD Single : B 61 LYS NZ :NH3+ 140:sc= -0.0595 (180deg=-0.353) USER MOD Single : B 62 THR OG1 : rot 68:sc= 1.05 USER MOD Single : B 67 GLN : amide:sc= -13! C(o=-13!,f=-8.8!) USER MOD Single : B 74 SER OG : rot 180:sc= 0 USER MOD Single : B 76 TYR OH : rot 180:sc= -0.0025 USER MOD Single : B 85 LYS NZ :NH3+ -145:sc= -0.649! (180deg=-1.83!) USER MOD Single : B 89 LYS NZ :NH3+ 177:sc= -5.72! (180deg=-5.79!) USER MOD Single : B 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 97 LYS NZ :NH3+ 157:sc= -1.03 (180deg=-1.72) USER MOD Single : B 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.688 4.539 -2.602 1.00 0.64 N ATOM 2 CA MET A 1 -18.036 5.851 -2.843 1.00 0.59 C ATOM 3 C MET A 1 -16.696 5.675 -3.531 1.00 0.60 C ATOM 4 O MET A 1 -16.318 4.567 -3.905 1.00 0.61 O ATOM 5 CB MET A 1 -17.833 6.612 -1.531 1.00 0.57 C ATOM 6 CG MET A 1 -18.962 7.603 -1.208 1.00 0.61 C ATOM 7 SD MET A 1 -20.623 7.004 -1.627 1.00 0.96 S ATOM 8 CE MET A 1 -21.649 8.377 -1.106 1.00 1.17 C ATOM 0 H1 MET A 1 -19.683 4.689 -2.338 1.00 0.64 H new ATOM 0 H2 MET A 1 -18.643 3.965 -3.468 1.00 0.64 H new ATOM 0 H3 MET A 1 -18.196 4.043 -1.831 1.00 0.64 H new ATOM 0 HA MET A 1 -18.697 6.426 -3.491 1.00 0.59 H new ATOM 0 HB2 MET A 1 -17.748 5.894 -0.715 1.00 0.57 H new ATOM 0 HB3 MET A 1 -16.889 7.154 -1.579 1.00 0.57 H new ATOM 0 HG2 MET A 1 -18.931 7.837 -0.144 1.00 0.61 H new ATOM 0 HG3 MET A 1 -18.778 8.533 -1.745 1.00 0.61 H new ATOM 0 HE1 MET A 1 -22.378 8.602 -1.884 1.00 1.17 H new ATOM 0 HE2 MET A 1 -22.170 8.113 -0.186 1.00 1.17 H new ATOM 0 HE3 MET A 1 -21.024 9.252 -0.931 1.00 1.17 H new ATOM 20 N ALA A 2 -15.985 6.782 -3.709 1.00 0.62 N ATOM 21 CA ALA A 2 -14.686 6.748 -4.360 1.00 0.65 C ATOM 22 C ALA A 2 -13.548 7.066 -3.402 1.00 0.62 C ATOM 23 O ALA A 2 -13.753 7.638 -2.333 1.00 0.72 O ATOM 24 CB ALA A 2 -14.662 7.702 -5.541 1.00 0.73 C ATOM 0 H ALA A 2 -16.287 7.710 -3.412 1.00 0.62 H new ATOM 0 HA ALA A 2 -14.532 5.729 -4.715 1.00 0.65 H new ATOM 0 HB1 ALA A 2 -13.683 7.665 -6.018 1.00 0.73 H new ATOM 0 HB2 ALA A 2 -15.427 7.410 -6.260 1.00 0.73 H new ATOM 0 HB3 ALA A 2 -14.859 8.716 -5.193 1.00 0.73 H new ATOM 30 N ALA A 3 -12.342 6.676 -3.797 1.00 0.73 N ATOM 31 CA ALA A 3 -11.160 6.934 -2.996 1.00 0.76 C ATOM 32 C ALA A 3 -10.790 8.405 -3.065 1.00 0.66 C ATOM 33 O ALA A 3 -10.134 8.847 -4.008 1.00 0.81 O ATOM 34 CB ALA A 3 -9.998 6.077 -3.470 1.00 1.06 C ATOM 0 H ALA A 3 -12.161 6.179 -4.669 1.00 0.73 H new ATOM 0 HA ALA A 3 -11.381 6.675 -1.960 1.00 0.76 H new ATOM 0 HB1 ALA A 3 -9.120 6.284 -2.858 1.00 1.06 H new ATOM 0 HB2 ALA A 3 -10.263 5.023 -3.381 1.00 1.06 H new ATOM 0 HB3 ALA A 3 -9.777 6.308 -4.512 1.00 1.06 H new ATOM 40 N GLU A 4 -11.216 9.162 -2.067 1.00 0.63 N ATOM 41 CA GLU A 4 -10.929 10.584 -2.026 1.00 0.75 C ATOM 42 C GLU A 4 -9.425 10.795 -1.795 1.00 0.74 C ATOM 43 O GLU A 4 -8.615 10.140 -2.451 1.00 0.85 O ATOM 44 CB GLU A 4 -11.768 11.245 -0.936 1.00 0.97 C ATOM 45 CG GLU A 4 -12.180 12.669 -1.259 1.00 1.44 C ATOM 46 CD GLU A 4 -11.079 13.462 -1.934 1.00 2.42 C ATOM 47 OE1 GLU A 4 -10.229 14.028 -1.215 1.00 3.20 O ATOM 48 OE2 GLU A 4 -11.064 13.515 -3.182 1.00 3.03 O ATOM 0 H GLU A 4 -11.760 8.815 -1.277 1.00 0.63 H new ATOM 0 HA GLU A 4 -11.192 11.049 -2.976 1.00 0.75 H new ATOM 0 HB2 GLU A 4 -12.664 10.647 -0.767 1.00 0.97 H new ATOM 0 HB3 GLU A 4 -11.203 11.243 -0.004 1.00 0.97 H new ATOM 0 HG2 GLU A 4 -13.057 12.650 -1.906 1.00 1.44 H new ATOM 0 HG3 GLU A 4 -12.474 13.175 -0.339 1.00 1.44 H new ATOM 55 N THR A 5 -9.030 11.688 -0.882 1.00 0.69 N ATOM 56 CA THR A 5 -7.612 11.906 -0.635 1.00 0.74 C ATOM 57 C THR A 5 -6.943 10.694 0.031 1.00 0.61 C ATOM 58 O THR A 5 -6.448 9.796 -0.653 1.00 0.78 O ATOM 59 CB THR A 5 -7.371 13.160 0.235 1.00 0.93 C ATOM 60 OG1 THR A 5 -7.814 14.333 -0.460 1.00 1.43 O ATOM 61 CG2 THR A 5 -5.893 13.296 0.596 1.00 1.09 C ATOM 0 H THR A 5 -9.660 12.257 -0.316 1.00 0.69 H new ATOM 0 HA THR A 5 -7.159 12.057 -1.615 1.00 0.74 H new ATOM 0 HB THR A 5 -7.942 13.051 1.157 1.00 0.93 H new ATOM 0 HG1 THR A 5 -7.081 14.685 -1.007 1.00 1.43 H new ATOM 0 HG21 THR A 5 -5.748 14.186 1.209 1.00 1.09 H new ATOM 0 HG22 THR A 5 -5.572 12.416 1.153 1.00 1.09 H new ATOM 0 HG23 THR A 5 -5.302 13.383 -0.316 1.00 1.09 H new ATOM 69 N LEU A 6 -6.931 10.675 1.366 1.00 0.54 N ATOM 70 CA LEU A 6 -6.278 9.610 2.113 1.00 0.50 C ATOM 71 C LEU A 6 -7.271 8.623 2.683 1.00 0.49 C ATOM 72 O LEU A 6 -7.904 8.898 3.701 1.00 0.56 O ATOM 73 CB LEU A 6 -5.468 10.194 3.275 1.00 0.61 C ATOM 74 CG LEU A 6 -4.282 11.067 2.890 1.00 0.75 C ATOM 75 CD1 LEU A 6 -4.567 12.525 3.216 1.00 1.15 C ATOM 76 CD2 LEU A 6 -3.023 10.600 3.602 1.00 1.07 C ATOM 0 H LEU A 6 -7.369 11.389 1.948 1.00 0.54 H new ATOM 0 HA LEU A 6 -5.627 9.091 1.410 1.00 0.50 H new ATOM 0 HB2 LEU A 6 -6.139 10.783 3.900 1.00 0.61 H new ATOM 0 HB3 LEU A 6 -5.103 9.370 3.888 1.00 0.61 H new ATOM 0 HG LEU A 6 -4.123 10.978 1.815 1.00 0.75 H new ATOM 0 HD11 LEU A 6 -3.709 13.135 2.934 1.00 1.15 H new ATOM 0 HD12 LEU A 6 -5.445 12.857 2.662 1.00 1.15 H new ATOM 0 HD13 LEU A 6 -4.751 12.629 4.285 1.00 1.15 H new ATOM 0 HD21 LEU A 6 -2.185 11.236 3.315 1.00 1.07 H new ATOM 0 HD22 LEU A 6 -3.171 10.660 4.680 1.00 1.07 H new ATOM 0 HD23 LEU A 6 -2.808 9.569 3.322 1.00 1.07 H new ATOM 88 N THR A 7 -7.416 7.474 2.046 1.00 0.50 N ATOM 89 CA THR A 7 -8.315 6.479 2.579 1.00 0.54 C ATOM 90 C THR A 7 -7.779 6.001 3.900 1.00 0.48 C ATOM 91 O THR A 7 -6.594 6.132 4.167 1.00 0.54 O ATOM 92 CB THR A 7 -8.509 5.264 1.658 1.00 0.62 C ATOM 93 OG1 THR A 7 -7.472 5.223 0.671 1.00 0.85 O ATOM 94 CG2 THR A 7 -9.872 5.296 0.985 1.00 0.83 C ATOM 0 H THR A 7 -6.936 7.216 1.184 1.00 0.50 H new ATOM 0 HA THR A 7 -9.289 6.957 2.682 1.00 0.54 H new ATOM 0 HB THR A 7 -8.456 4.364 2.270 1.00 0.62 H new ATOM 0 HG1 THR A 7 -6.772 4.601 0.958 1.00 0.85 H new ATOM 0 HG21 THR A 7 -9.980 4.424 0.340 1.00 0.83 H new ATOM 0 HG22 THR A 7 -10.653 5.284 1.745 1.00 0.83 H new ATOM 0 HG23 THR A 7 -9.961 6.203 0.387 1.00 0.83 H new ATOM 102 N GLU A 8 -8.647 5.426 4.712 1.00 0.45 N ATOM 103 CA GLU A 8 -8.253 4.910 6.030 1.00 0.44 C ATOM 104 C GLU A 8 -6.880 4.237 5.985 1.00 0.41 C ATOM 105 O GLU A 8 -6.154 4.210 6.979 1.00 0.42 O ATOM 106 CB GLU A 8 -9.284 3.920 6.556 1.00 0.50 C ATOM 107 CG GLU A 8 -10.718 4.351 6.319 1.00 0.52 C ATOM 108 CD GLU A 8 -11.715 3.525 7.108 1.00 1.09 C ATOM 109 OE1 GLU A 8 -11.536 3.393 8.337 1.00 1.67 O ATOM 110 OE2 GLU A 8 -12.674 3.010 6.497 1.00 1.94 O ATOM 0 H GLU A 8 -9.635 5.300 4.490 1.00 0.45 H new ATOM 0 HA GLU A 8 -8.198 5.766 6.703 1.00 0.44 H new ATOM 0 HB2 GLU A 8 -9.121 2.953 6.081 1.00 0.50 H new ATOM 0 HB3 GLU A 8 -9.128 3.780 7.626 1.00 0.50 H new ATOM 0 HG2 GLU A 8 -10.827 5.401 6.590 1.00 0.52 H new ATOM 0 HG3 GLU A 8 -10.946 4.271 5.256 1.00 0.52 H new ATOM 117 N LEU A 9 -6.538 3.697 4.822 1.00 0.41 N ATOM 118 CA LEU A 9 -5.262 3.039 4.622 1.00 0.40 C ATOM 119 C LEU A 9 -4.100 3.963 4.981 1.00 0.38 C ATOM 120 O LEU A 9 -3.019 3.500 5.341 1.00 0.39 O ATOM 121 CB LEU A 9 -5.163 2.615 3.160 1.00 0.45 C ATOM 122 CG LEU A 9 -6.417 1.940 2.586 1.00 0.57 C ATOM 123 CD1 LEU A 9 -6.073 1.112 1.359 1.00 0.93 C ATOM 124 CD2 LEU A 9 -7.117 1.089 3.639 1.00 0.92 C ATOM 0 H LEU A 9 -7.137 3.705 3.997 1.00 0.41 H new ATOM 0 HA LEU A 9 -5.201 2.168 5.275 1.00 0.40 H new ATOM 0 HB2 LEU A 9 -4.937 3.495 2.558 1.00 0.45 H new ATOM 0 HB3 LEU A 9 -4.321 1.931 3.053 1.00 0.45 H new ATOM 0 HG LEU A 9 -7.108 2.726 2.281 1.00 0.57 H new ATOM 0 HD11 LEU A 9 -6.978 0.644 0.971 1.00 0.93 H new ATOM 0 HD12 LEU A 9 -5.641 1.757 0.594 1.00 0.93 H new ATOM 0 HD13 LEU A 9 -5.353 0.340 1.631 1.00 0.93 H new ATOM 0 HD21 LEU A 9 -8.001 0.624 3.202 1.00 0.92 H new ATOM 0 HD22 LEU A 9 -6.436 0.314 3.992 1.00 0.92 H new ATOM 0 HD23 LEU A 9 -7.415 1.719 4.477 1.00 0.92 H new ATOM 136 N GLU A 10 -4.333 5.273 4.902 1.00 0.38 N ATOM 137 CA GLU A 10 -3.299 6.247 5.231 1.00 0.39 C ATOM 138 C GLU A 10 -2.733 5.956 6.609 1.00 0.38 C ATOM 139 O GLU A 10 -1.535 6.104 6.843 1.00 0.40 O ATOM 140 CB GLU A 10 -3.846 7.667 5.162 1.00 0.46 C ATOM 141 CG GLU A 10 -5.247 7.808 5.719 1.00 0.45 C ATOM 142 CD GLU A 10 -5.361 8.921 6.742 1.00 0.56 C ATOM 143 OE1 GLU A 10 -5.633 10.070 6.338 1.00 1.16 O ATOM 144 OE2 GLU A 10 -5.177 8.642 7.945 1.00 1.27 O ATOM 0 H GLU A 10 -5.223 5.680 4.615 1.00 0.38 H new ATOM 0 HA GLU A 10 -2.498 6.163 4.497 1.00 0.39 H new ATOM 0 HB2 GLU A 10 -3.178 8.331 5.711 1.00 0.46 H new ATOM 0 HB3 GLU A 10 -3.843 7.998 4.124 1.00 0.46 H new ATOM 0 HG2 GLU A 10 -5.941 8.000 4.901 1.00 0.45 H new ATOM 0 HG3 GLU A 10 -5.548 6.866 6.178 1.00 0.45 H new ATOM 151 N ALA A 11 -3.601 5.537 7.526 1.00 0.39 N ATOM 152 CA ALA A 11 -3.159 5.185 8.867 1.00 0.39 C ATOM 153 C ALA A 11 -2.097 4.107 8.768 1.00 0.36 C ATOM 154 O ALA A 11 -1.191 4.022 9.598 1.00 0.39 O ATOM 155 CB ALA A 11 -4.330 4.710 9.714 1.00 0.42 C ATOM 0 H ALA A 11 -4.603 5.435 7.366 1.00 0.39 H new ATOM 0 HA ALA A 11 -2.738 6.066 9.352 1.00 0.39 H new ATOM 0 HB1 ALA A 11 -3.976 4.452 10.712 1.00 0.42 H new ATOM 0 HB2 ALA A 11 -5.073 5.504 9.786 1.00 0.42 H new ATOM 0 HB3 ALA A 11 -4.781 3.832 9.251 1.00 0.42 H new ATOM 161 N ALA A 12 -2.224 3.280 7.734 1.00 0.33 N ATOM 162 CA ALA A 12 -1.269 2.217 7.482 1.00 0.33 C ATOM 163 C ALA A 12 0.041 2.803 6.975 1.00 0.33 C ATOM 164 O ALA A 12 1.105 2.206 7.134 1.00 0.34 O ATOM 165 CB ALA A 12 -1.835 1.219 6.481 1.00 0.34 C ATOM 0 H ALA A 12 -2.985 3.330 7.057 1.00 0.33 H new ATOM 0 HA ALA A 12 -1.076 1.689 8.416 1.00 0.33 H new ATOM 0 HB1 ALA A 12 -1.106 0.428 6.303 1.00 0.34 H new ATOM 0 HB2 ALA A 12 -2.752 0.784 6.879 1.00 0.34 H new ATOM 0 HB3 ALA A 12 -2.053 1.729 5.543 1.00 0.34 H new ATOM 171 N ILE A 13 -0.044 3.985 6.358 1.00 0.36 N ATOM 172 CA ILE A 13 1.137 4.661 5.842 1.00 0.40 C ATOM 173 C ILE A 13 2.204 4.740 6.937 1.00 0.39 C ATOM 174 O ILE A 13 3.402 4.690 6.669 1.00 0.42 O ATOM 175 CB ILE A 13 0.794 6.085 5.303 1.00 0.47 C ATOM 176 CG1 ILE A 13 1.715 6.441 4.132 1.00 0.90 C ATOM 177 CG2 ILE A 13 0.875 7.159 6.390 1.00 0.99 C ATOM 178 CD1 ILE A 13 3.156 6.657 4.539 1.00 2.05 C ATOM 0 H ILE A 13 -0.918 4.488 6.207 1.00 0.36 H new ATOM 0 HA ILE A 13 1.524 4.083 5.003 1.00 0.40 H new ATOM 0 HB ILE A 13 -0.240 6.059 4.959 1.00 0.47 H new ATOM 0 HG12 ILE A 13 1.671 5.643 3.391 1.00 0.90 H new ATOM 0 HG13 ILE A 13 1.343 7.345 3.650 1.00 0.90 H new ATOM 0 HG21 ILE A 13 0.627 8.130 5.961 1.00 0.99 H new ATOM 0 HG22 ILE A 13 0.170 6.924 7.187 1.00 0.99 H new ATOM 0 HG23 ILE A 13 1.886 7.189 6.797 1.00 0.99 H new ATOM 0 HD11 ILE A 13 3.749 6.905 3.659 1.00 2.05 H new ATOM 0 HD12 ILE A 13 3.212 7.475 5.257 1.00 2.05 H new ATOM 0 HD13 ILE A 13 3.546 5.747 4.994 1.00 2.05 H new ATOM 190 N GLU A 14 1.727 4.853 8.178 1.00 0.39 N ATOM 191 CA GLU A 14 2.594 4.948 9.345 1.00 0.42 C ATOM 192 C GLU A 14 3.370 3.656 9.569 1.00 0.38 C ATOM 193 O GLU A 14 4.543 3.690 9.945 1.00 0.46 O ATOM 194 CB GLU A 14 1.771 5.276 10.592 1.00 0.46 C ATOM 195 CG GLU A 14 0.996 6.580 10.486 1.00 0.79 C ATOM 196 CD GLU A 14 1.895 7.773 10.226 1.00 1.46 C ATOM 197 OE1 GLU A 14 2.477 8.300 11.197 1.00 2.25 O ATOM 198 OE2 GLU A 14 2.017 8.180 9.052 1.00 2.02 O ATOM 0 H GLU A 14 0.731 4.881 8.398 1.00 0.39 H new ATOM 0 HA GLU A 14 3.309 5.749 9.160 1.00 0.42 H new ATOM 0 HB2 GLU A 14 1.071 4.462 10.779 1.00 0.46 H new ATOM 0 HB3 GLU A 14 2.437 5.328 11.453 1.00 0.46 H new ATOM 0 HG2 GLU A 14 0.264 6.499 9.682 1.00 0.79 H new ATOM 0 HG3 GLU A 14 0.439 6.744 11.409 1.00 0.79 H new ATOM 205 N THR A 15 2.723 2.518 9.342 1.00 0.30 N ATOM 206 CA THR A 15 3.390 1.235 9.531 1.00 0.28 C ATOM 207 C THR A 15 4.426 1.012 8.439 1.00 0.29 C ATOM 208 O THR A 15 5.598 0.756 8.712 1.00 0.35 O ATOM 209 CB THR A 15 2.388 0.068 9.518 1.00 0.28 C ATOM 210 OG1 THR A 15 1.403 0.250 10.542 1.00 0.29 O ATOM 211 CG2 THR A 15 3.103 -1.257 9.727 1.00 0.32 C ATOM 0 H THR A 15 1.753 2.457 9.032 1.00 0.30 H new ATOM 0 HA THR A 15 3.877 1.264 10.506 1.00 0.28 H new ATOM 0 HB THR A 15 1.897 0.052 8.545 1.00 0.28 H new ATOM 0 HG1 THR A 15 0.562 -0.169 10.265 1.00 0.29 H new ATOM 0 HG21 THR A 15 2.376 -2.069 9.714 1.00 0.32 H new ATOM 0 HG22 THR A 15 3.830 -1.408 8.929 1.00 0.32 H new ATOM 0 HG23 THR A 15 3.617 -1.245 10.688 1.00 0.32 H new ATOM 219 N VAL A 16 3.971 1.119 7.199 1.00 0.27 N ATOM 220 CA VAL A 16 4.824 0.947 6.033 1.00 0.28 C ATOM 221 C VAL A 16 5.960 1.964 6.017 1.00 0.30 C ATOM 222 O VAL A 16 7.076 1.655 5.596 1.00 0.36 O ATOM 223 CB VAL A 16 3.987 1.095 4.754 1.00 0.30 C ATOM 224 CG1 VAL A 16 3.301 2.445 4.741 1.00 0.33 C ATOM 225 CG2 VAL A 16 4.843 0.922 3.511 1.00 0.33 C ATOM 0 H VAL A 16 2.998 1.328 6.973 1.00 0.27 H new ATOM 0 HA VAL A 16 5.261 -0.050 6.080 1.00 0.28 H new ATOM 0 HB VAL A 16 3.231 0.310 4.747 1.00 0.30 H new ATOM 0 HG11 VAL A 16 2.709 2.544 3.831 1.00 0.33 H new ATOM 0 HG12 VAL A 16 2.648 2.530 5.610 1.00 0.33 H new ATOM 0 HG13 VAL A 16 4.052 3.235 4.773 1.00 0.33 H new ATOM 0 HG21 VAL A 16 4.221 1.032 2.623 1.00 0.33 H new ATOM 0 HG22 VAL A 16 5.627 1.679 3.501 1.00 0.33 H new ATOM 0 HG23 VAL A 16 5.296 -0.070 3.516 1.00 0.33 H new ATOM 235 N VAL A 17 5.674 3.177 6.476 1.00 0.31 N ATOM 236 CA VAL A 17 6.677 4.234 6.508 1.00 0.33 C ATOM 237 C VAL A 17 7.611 4.060 7.710 1.00 0.30 C ATOM 238 O VAL A 17 8.809 4.329 7.632 1.00 0.32 O ATOM 239 CB VAL A 17 6.017 5.629 6.564 1.00 0.43 C ATOM 240 CG1 VAL A 17 5.414 5.907 7.934 1.00 0.45 C ATOM 241 CG2 VAL A 17 7.015 6.709 6.184 1.00 0.50 C ATOM 0 H VAL A 17 4.758 3.452 6.830 1.00 0.31 H new ATOM 0 HA VAL A 17 7.259 4.160 5.589 1.00 0.33 H new ATOM 0 HB VAL A 17 5.203 5.640 5.839 1.00 0.43 H new ATOM 0 HG11 VAL A 17 4.958 6.897 7.937 1.00 0.45 H new ATOM 0 HG12 VAL A 17 4.654 5.157 8.156 1.00 0.45 H new ATOM 0 HG13 VAL A 17 6.197 5.866 8.691 1.00 0.45 H new ATOM 0 HG21 VAL A 17 6.531 7.684 6.230 1.00 0.50 H new ATOM 0 HG22 VAL A 17 7.855 6.688 6.878 1.00 0.50 H new ATOM 0 HG23 VAL A 17 7.376 6.530 5.171 1.00 0.50 H new ATOM 251 N SER A 18 7.042 3.633 8.830 1.00 0.33 N ATOM 252 CA SER A 18 7.815 3.419 10.049 1.00 0.40 C ATOM 253 C SER A 18 8.530 2.066 10.040 1.00 0.44 C ATOM 254 O SER A 18 9.293 1.759 10.954 1.00 0.59 O ATOM 255 CB SER A 18 6.906 3.517 11.275 1.00 0.51 C ATOM 256 OG SER A 18 6.295 4.794 11.357 1.00 1.32 O ATOM 0 H SER A 18 6.047 3.428 8.921 1.00 0.33 H new ATOM 0 HA SER A 18 8.575 4.199 10.095 1.00 0.40 H new ATOM 0 HB2 SER A 18 6.138 2.745 11.224 1.00 0.51 H new ATOM 0 HB3 SER A 18 7.487 3.330 12.178 1.00 0.51 H new ATOM 0 HG SER A 18 5.437 4.777 10.884 1.00 1.32 H new ATOM 262 N THR A 19 8.219 1.226 9.061 1.00 0.37 N ATOM 263 CA THR A 19 8.856 -0.087 8.950 1.00 0.44 C ATOM 264 C THR A 19 10.181 -0.085 8.157 1.00 0.46 C ATOM 265 O THR A 19 11.257 0.125 8.714 1.00 0.54 O ATOM 266 CB THR A 19 7.888 -1.142 8.361 1.00 0.45 C ATOM 267 OG1 THR A 19 7.071 -0.573 7.321 1.00 0.42 O ATOM 268 CG2 THR A 19 6.993 -1.720 9.449 1.00 0.49 C ATOM 0 H THR A 19 7.533 1.426 8.333 1.00 0.37 H new ATOM 0 HA THR A 19 9.110 -0.359 9.975 1.00 0.44 H new ATOM 0 HB THR A 19 8.495 -1.940 7.934 1.00 0.45 H new ATOM 0 HG1 THR A 19 6.385 0.001 7.721 1.00 0.42 H new ATOM 0 HG21 THR A 19 6.321 -2.459 9.013 1.00 0.49 H new ATOM 0 HG22 THR A 19 7.609 -2.195 10.212 1.00 0.49 H new ATOM 0 HG23 THR A 19 6.408 -0.920 9.902 1.00 0.49 H new ATOM 276 N PHE A 20 10.062 -0.322 6.851 1.00 0.45 N ATOM 277 CA PHE A 20 11.190 -0.425 5.922 1.00 0.54 C ATOM 278 C PHE A 20 11.660 0.936 5.485 1.00 0.52 C ATOM 279 O PHE A 20 12.855 1.172 5.308 1.00 0.64 O ATOM 280 CB PHE A 20 10.726 -1.284 4.732 1.00 0.60 C ATOM 281 CG PHE A 20 11.297 -0.950 3.378 1.00 0.72 C ATOM 282 CD1 PHE A 20 12.661 -0.978 3.131 1.00 1.26 C ATOM 283 CD2 PHE A 20 10.442 -0.630 2.338 1.00 1.60 C ATOM 284 CE1 PHE A 20 13.151 -0.688 1.877 1.00 1.37 C ATOM 285 CE2 PHE A 20 10.929 -0.335 1.083 1.00 1.77 C ATOM 286 CZ PHE A 20 12.285 -0.364 0.851 1.00 1.18 C ATOM 0 H PHE A 20 9.158 -0.451 6.398 1.00 0.45 H new ATOM 0 HA PHE A 20 12.046 -0.895 6.406 1.00 0.54 H new ATOM 0 HB2 PHE A 20 10.966 -2.324 4.952 1.00 0.60 H new ATOM 0 HB3 PHE A 20 9.640 -1.214 4.668 1.00 0.60 H new ATOM 0 HD1 PHE A 20 13.345 -1.229 3.928 1.00 1.26 H new ATOM 0 HD2 PHE A 20 9.376 -0.611 2.513 1.00 1.60 H new ATOM 0 HE1 PHE A 20 14.215 -0.714 1.695 1.00 1.37 H new ATOM 0 HE2 PHE A 20 10.248 -0.082 0.284 1.00 1.77 H new ATOM 0 HZ PHE A 20 12.671 -0.134 -0.131 1.00 1.18 H new ATOM 296 N PHE A 21 10.714 1.825 5.315 1.00 0.44 N ATOM 297 CA PHE A 21 11.026 3.162 4.909 1.00 0.47 C ATOM 298 C PHE A 21 11.937 3.804 5.953 1.00 0.49 C ATOM 299 O PHE A 21 12.627 4.779 5.704 1.00 0.62 O ATOM 300 CB PHE A 21 9.723 3.943 4.671 1.00 0.48 C ATOM 301 CG PHE A 21 8.858 3.367 3.561 1.00 0.45 C ATOM 302 CD1 PHE A 21 9.240 2.214 2.880 1.00 1.16 C ATOM 303 CD2 PHE A 21 7.641 3.956 3.223 1.00 1.39 C ATOM 304 CE1 PHE A 21 8.432 1.676 1.891 1.00 1.13 C ATOM 305 CE2 PHE A 21 6.835 3.412 2.242 1.00 1.44 C ATOM 306 CZ PHE A 21 7.230 2.274 1.578 1.00 0.54 C ATOM 0 H PHE A 21 9.720 1.641 5.453 1.00 0.44 H new ATOM 0 HA PHE A 21 11.571 3.168 3.965 1.00 0.47 H new ATOM 0 HB2 PHE A 21 9.147 3.961 5.596 1.00 0.48 H new ATOM 0 HB3 PHE A 21 9.969 4.977 4.428 1.00 0.48 H new ATOM 0 HD1 PHE A 21 10.176 1.734 3.125 1.00 1.16 H new ATOM 0 HD2 PHE A 21 7.323 4.852 3.736 1.00 1.39 H new ATOM 0 HE1 PHE A 21 8.745 0.786 1.364 1.00 1.13 H new ATOM 0 HE2 PHE A 21 5.894 3.881 1.996 1.00 1.44 H new ATOM 0 HZ PHE A 21 6.599 1.849 0.812 1.00 0.54 H new ATOM 316 N THR A 22 11.992 3.222 7.133 1.00 0.47 N ATOM 317 CA THR A 22 12.886 3.757 8.145 1.00 0.54 C ATOM 318 C THR A 22 14.333 3.767 7.637 1.00 0.49 C ATOM 319 O THR A 22 15.191 4.439 8.209 1.00 0.54 O ATOM 320 CB THR A 22 12.822 2.940 9.432 1.00 0.66 C ATOM 321 OG1 THR A 22 13.259 1.616 9.169 1.00 0.66 O ATOM 322 CG2 THR A 22 11.416 2.931 9.979 1.00 0.81 C ATOM 0 H THR A 22 11.449 2.405 7.412 1.00 0.47 H new ATOM 0 HA THR A 22 12.561 4.776 8.355 1.00 0.54 H new ATOM 0 HB THR A 22 13.474 3.392 10.179 1.00 0.66 H new ATOM 0 HG1 THR A 22 12.510 1.086 8.825 1.00 0.66 H new ATOM 0 HG21 THR A 22 11.387 2.344 10.897 1.00 0.81 H new ATOM 0 HG22 THR A 22 11.102 3.953 10.191 1.00 0.81 H new ATOM 0 HG23 THR A 22 10.743 2.489 9.244 1.00 0.81 H new ATOM 330 N PHE A 23 14.601 3.016 6.557 1.00 0.49 N ATOM 331 CA PHE A 23 15.952 2.924 6.013 1.00 0.51 C ATOM 332 C PHE A 23 16.351 4.183 5.244 1.00 0.44 C ATOM 333 O PHE A 23 17.537 4.473 5.105 1.00 0.45 O ATOM 334 CB PHE A 23 16.088 1.616 5.210 1.00 0.68 C ATOM 335 CG PHE A 23 16.433 1.696 3.751 1.00 0.61 C ATOM 336 CD1 PHE A 23 17.599 2.303 3.292 1.00 1.46 C ATOM 337 CD2 PHE A 23 15.626 1.049 2.845 1.00 1.47 C ATOM 338 CE1 PHE A 23 17.936 2.255 1.960 1.00 1.93 C ATOM 339 CE2 PHE A 23 15.952 1.013 1.514 1.00 1.88 C ATOM 340 CZ PHE A 23 17.109 1.611 1.070 1.00 1.82 C ATOM 0 H PHE A 23 13.903 2.471 6.052 1.00 0.49 H new ATOM 0 HA PHE A 23 16.674 2.876 6.829 1.00 0.51 H new ATOM 0 HB2 PHE A 23 16.850 1.008 5.697 1.00 0.68 H new ATOM 0 HB3 PHE A 23 15.145 1.076 5.297 1.00 0.68 H new ATOM 0 HD1 PHE A 23 18.245 2.816 3.989 1.00 1.46 H new ATOM 0 HD2 PHE A 23 14.724 0.563 3.186 1.00 1.47 H new ATOM 0 HE1 PHE A 23 18.847 2.721 1.614 1.00 1.93 H new ATOM 0 HE2 PHE A 23 15.300 0.514 0.813 1.00 1.88 H new ATOM 0 HZ PHE A 23 17.368 1.575 0.022 1.00 1.82 H new ATOM 350 N ALA A 24 15.371 4.960 4.772 1.00 0.50 N ATOM 351 CA ALA A 24 15.690 6.220 4.081 1.00 0.58 C ATOM 352 C ALA A 24 16.662 7.009 4.925 1.00 0.60 C ATOM 353 O ALA A 24 17.537 7.711 4.416 1.00 0.65 O ATOM 354 CB ALA A 24 14.443 7.044 3.821 1.00 0.71 C ATOM 0 H ALA A 24 14.376 4.750 4.850 1.00 0.50 H new ATOM 0 HA ALA A 24 16.135 5.983 3.115 1.00 0.58 H new ATOM 0 HB1 ALA A 24 14.717 7.967 3.310 1.00 0.71 H new ATOM 0 HB2 ALA A 24 13.754 6.474 3.198 1.00 0.71 H new ATOM 0 HB3 ALA A 24 13.961 7.284 4.769 1.00 0.71 H new ATOM 360 N GLY A 25 16.487 6.875 6.236 1.00 0.68 N ATOM 361 CA GLY A 25 17.378 7.511 7.187 1.00 0.81 C ATOM 362 C GLY A 25 18.829 7.413 6.739 1.00 0.71 C ATOM 363 O GLY A 25 19.650 8.277 7.050 1.00 0.80 O ATOM 0 H GLY A 25 15.735 6.331 6.659 1.00 0.68 H new ATOM 0 HA2 GLY A 25 17.101 8.559 7.303 1.00 0.81 H new ATOM 0 HA3 GLY A 25 17.265 7.042 8.164 1.00 0.81 H new ATOM 367 N ARG A 26 19.130 6.344 5.998 1.00 0.60 N ATOM 368 CA ARG A 26 20.463 6.117 5.455 1.00 0.59 C ATOM 369 C ARG A 26 20.991 7.382 4.792 1.00 0.57 C ATOM 370 O ARG A 26 22.144 7.766 4.990 1.00 0.71 O ATOM 371 CB ARG A 26 20.425 4.976 4.438 1.00 0.61 C ATOM 372 CG ARG A 26 21.744 4.772 3.711 1.00 1.17 C ATOM 373 CD ARG A 26 22.241 3.343 3.855 1.00 0.97 C ATOM 374 NE ARG A 26 22.494 2.989 5.249 1.00 1.55 N ATOM 375 CZ ARG A 26 23.096 1.865 5.624 1.00 1.95 C ATOM 376 NH1 ARG A 26 23.510 0.996 4.713 1.00 2.01 N ATOM 377 NH2 ARG A 26 23.286 1.611 6.912 1.00 2.82 N ATOM 0 H ARG A 26 18.456 5.616 5.760 1.00 0.60 H new ATOM 0 HA ARG A 26 21.130 5.847 6.274 1.00 0.59 H new ATOM 0 HB2 ARG A 26 20.154 4.052 4.949 1.00 0.61 H new ATOM 0 HB3 ARG A 26 19.643 5.177 3.706 1.00 0.61 H new ATOM 0 HG2 ARG A 26 21.620 5.011 2.655 1.00 1.17 H new ATOM 0 HG3 ARG A 26 22.490 5.460 4.108 1.00 1.17 H new ATOM 0 HD2 ARG A 26 21.503 2.659 3.435 1.00 0.97 H new ATOM 0 HD3 ARG A 26 23.157 3.218 3.277 1.00 0.97 H new ATOM 0 HE ARG A 26 22.192 3.640 5.974 1.00 1.55 H new ATOM 0 HH11 ARG A 26 23.367 1.189 3.722 1.00 2.01 H new ATOM 0 HH12 ARG A 26 23.972 0.134 5.003 1.00 2.01 H new ATOM 0 HH21 ARG A 26 22.970 2.279 7.615 1.00 2.82 H new ATOM 0 HH22 ARG A 26 23.748 0.748 7.199 1.00 2.82 H new ATOM 391 N GLU A 27 20.137 8.027 3.999 1.00 0.50 N ATOM 392 CA GLU A 27 20.515 9.262 3.325 1.00 0.58 C ATOM 393 C GLU A 27 20.242 10.454 4.236 1.00 0.80 C ATOM 394 O GLU A 27 19.100 10.711 4.614 1.00 1.27 O ATOM 395 CB GLU A 27 19.746 9.412 2.009 1.00 0.98 C ATOM 396 CG GLU A 27 20.249 8.493 0.907 1.00 0.85 C ATOM 397 CD GLU A 27 21.622 8.889 0.400 1.00 1.09 C ATOM 398 OE1 GLU A 27 22.626 8.406 0.966 1.00 1.63 O ATOM 399 OE2 GLU A 27 21.694 9.681 -0.564 1.00 1.78 O ATOM 0 H GLU A 27 19.185 7.715 3.810 1.00 0.50 H new ATOM 0 HA GLU A 27 21.580 9.226 3.098 1.00 0.58 H new ATOM 0 HB2 GLU A 27 18.690 9.208 2.188 1.00 0.98 H new ATOM 0 HB3 GLU A 27 19.818 10.446 1.671 1.00 0.98 H new ATOM 0 HG2 GLU A 27 20.285 7.470 1.280 1.00 0.85 H new ATOM 0 HG3 GLU A 27 19.542 8.505 0.078 1.00 0.85 H new ATOM 406 N GLY A 28 21.309 11.173 4.585 1.00 1.33 N ATOM 407 CA GLY A 28 21.198 12.327 5.470 1.00 1.88 C ATOM 408 C GLY A 28 19.947 13.151 5.248 1.00 1.36 C ATOM 409 O GLY A 28 19.005 13.086 6.038 1.00 1.58 O ATOM 0 H GLY A 28 22.258 10.975 4.268 1.00 1.33 H new ATOM 0 HA2 GLY A 28 21.216 11.983 6.504 1.00 1.88 H new ATOM 0 HA3 GLY A 28 22.071 12.965 5.331 1.00 1.88 H new ATOM 413 N ARG A 29 19.935 13.927 4.170 1.00 1.16 N ATOM 414 CA ARG A 29 18.795 14.777 3.849 1.00 1.06 C ATOM 415 C ARG A 29 17.473 14.042 4.064 1.00 1.13 C ATOM 416 O ARG A 29 17.443 12.818 4.190 1.00 1.73 O ATOM 417 CB ARG A 29 18.892 15.264 2.394 1.00 1.38 C ATOM 418 CG ARG A 29 17.628 15.942 1.879 1.00 1.78 C ATOM 419 CD ARG A 29 17.776 16.385 0.434 1.00 2.37 C ATOM 420 NE ARG A 29 18.641 17.553 0.301 1.00 2.89 N ATOM 421 CZ ARG A 29 19.107 17.994 -0.863 1.00 3.59 C ATOM 422 NH1 ARG A 29 18.793 17.363 -1.986 1.00 3.91 N ATOM 423 NH2 ARG A 29 19.888 19.066 -0.904 1.00 4.31 N ATOM 0 H ARG A 29 20.704 13.985 3.502 1.00 1.16 H new ATOM 0 HA ARG A 29 18.818 15.635 4.521 1.00 1.06 H new ATOM 0 HB2 ARG A 29 19.725 15.962 2.310 1.00 1.38 H new ATOM 0 HB3 ARG A 29 19.123 14.414 1.752 1.00 1.38 H new ATOM 0 HG2 ARG A 29 16.786 15.255 1.964 1.00 1.78 H new ATOM 0 HG3 ARG A 29 17.399 16.806 2.503 1.00 1.78 H new ATOM 0 HD2 ARG A 29 18.184 15.564 -0.156 1.00 2.37 H new ATOM 0 HD3 ARG A 29 16.793 16.615 0.024 1.00 2.37 H new ATOM 0 HE ARG A 29 18.902 18.058 1.148 1.00 2.89 H new ATOM 0 HH11 ARG A 29 18.193 16.538 -1.957 1.00 3.91 H new ATOM 0 HH12 ARG A 29 19.151 17.702 -2.879 1.00 3.91 H new ATOM 0 HH21 ARG A 29 20.132 19.553 -0.041 1.00 4.31 H new ATOM 0 HH22 ARG A 29 20.245 19.403 -1.798 1.00 4.31 H new ATOM 437 N LYS A 30 16.385 14.801 4.102 1.00 1.04 N ATOM 438 CA LYS A 30 15.065 14.225 4.279 1.00 1.47 C ATOM 439 C LYS A 30 14.401 14.080 2.922 1.00 1.32 C ATOM 440 O LYS A 30 13.296 14.574 2.697 1.00 1.64 O ATOM 441 CB LYS A 30 14.201 15.110 5.181 1.00 2.03 C ATOM 442 CG LYS A 30 14.928 15.614 6.417 1.00 2.65 C ATOM 443 CD LYS A 30 15.371 14.467 7.309 1.00 3.51 C ATOM 444 CE LYS A 30 14.187 13.636 7.778 1.00 4.01 C ATOM 445 NZ LYS A 30 13.191 14.457 8.520 1.00 4.77 N ATOM 0 H LYS A 30 16.394 15.817 4.012 1.00 1.04 H new ATOM 0 HA LYS A 30 15.167 13.249 4.753 1.00 1.47 H new ATOM 0 HB2 LYS A 30 13.846 15.965 4.605 1.00 2.03 H new ATOM 0 HB3 LYS A 30 13.321 14.547 5.492 1.00 2.03 H new ATOM 0 HG2 LYS A 30 15.797 16.199 6.116 1.00 2.65 H new ATOM 0 HG3 LYS A 30 14.274 16.281 6.978 1.00 2.65 H new ATOM 0 HD2 LYS A 30 16.070 13.832 6.766 1.00 3.51 H new ATOM 0 HD3 LYS A 30 15.905 14.862 8.173 1.00 3.51 H new ATOM 0 HE2 LYS A 30 13.706 13.172 6.917 1.00 4.01 H new ATOM 0 HE3 LYS A 30 14.541 12.829 8.419 1.00 4.01 H new ATOM 0 HZ1 LYS A 30 12.509 13.831 8.994 1.00 4.77 H new ATOM 0 HZ2 LYS A 30 13.680 15.038 9.231 1.00 4.77 H new ATOM 0 HZ3 LYS A 30 12.687 15.077 7.854 1.00 4.77 H new ATOM 459 N GLY A 31 15.089 13.391 2.021 1.00 0.95 N ATOM 460 CA GLY A 31 14.562 13.173 0.693 1.00 0.88 C ATOM 461 C GLY A 31 13.914 11.839 0.585 1.00 0.80 C ATOM 462 O GLY A 31 12.747 11.719 0.877 1.00 0.85 O ATOM 0 H GLY A 31 16.006 12.979 2.190 1.00 0.95 H new ATOM 0 HA2 GLY A 31 13.839 13.952 0.453 1.00 0.88 H new ATOM 0 HA3 GLY A 31 15.367 13.250 -0.038 1.00 0.88 H new ATOM 466 N SER A 32 14.631 10.843 0.140 1.00 0.74 N ATOM 467 CA SER A 32 14.036 9.532 0.015 1.00 0.71 C ATOM 468 C SER A 32 15.001 8.450 0.417 1.00 0.70 C ATOM 469 O SER A 32 16.153 8.710 0.767 1.00 0.74 O ATOM 470 CB SER A 32 13.558 9.294 -1.417 1.00 0.68 C ATOM 471 OG SER A 32 14.529 9.718 -2.357 1.00 1.10 O ATOM 0 H SER A 32 15.610 10.906 -0.139 1.00 0.74 H new ATOM 0 HA SER A 32 13.180 9.495 0.689 1.00 0.71 H new ATOM 0 HB2 SER A 32 13.346 8.235 -1.561 1.00 0.68 H new ATOM 0 HB3 SER A 32 12.625 9.832 -1.586 1.00 0.68 H new ATOM 0 HG SER A 32 14.199 9.553 -3.265 1.00 1.10 H new ATOM 477 N LEU A 33 14.513 7.235 0.360 1.00 0.72 N ATOM 478 CA LEU A 33 15.323 6.086 0.662 1.00 0.74 C ATOM 479 C LEU A 33 15.893 5.603 -0.629 1.00 0.56 C ATOM 480 O LEU A 33 15.331 5.869 -1.687 1.00 0.52 O ATOM 481 CB LEU A 33 14.510 4.977 1.356 1.00 0.99 C ATOM 482 CG LEU A 33 14.400 3.589 0.670 1.00 1.19 C ATOM 483 CD1 LEU A 33 13.562 2.637 1.522 1.00 1.93 C ATOM 484 CD2 LEU A 33 13.819 3.676 -0.738 1.00 1.69 C ATOM 0 H LEU A 33 13.550 7.018 0.105 1.00 0.72 H new ATOM 0 HA LEU A 33 16.115 6.359 1.360 1.00 0.74 H new ATOM 0 HB2 LEU A 33 14.940 4.823 2.346 1.00 0.99 H new ATOM 0 HB3 LEU A 33 13.498 5.353 1.504 1.00 0.99 H new ATOM 0 HG LEU A 33 15.415 3.201 0.579 1.00 1.19 H new ATOM 0 HD11 LEU A 33 13.495 1.669 1.026 1.00 1.93 H new ATOM 0 HD12 LEU A 33 14.031 2.513 2.498 1.00 1.93 H new ATOM 0 HD13 LEU A 33 12.561 3.049 1.650 1.00 1.93 H new ATOM 0 HD21 LEU A 33 13.764 2.677 -1.171 1.00 1.69 H new ATOM 0 HD22 LEU A 33 12.819 4.107 -0.693 1.00 1.69 H new ATOM 0 HD23 LEU A 33 14.458 4.306 -1.357 1.00 1.69 H new ATOM 496 N ASN A 34 17.004 4.924 -0.565 1.00 0.57 N ATOM 497 CA ASN A 34 17.611 4.464 -1.782 1.00 0.47 C ATOM 498 C ASN A 34 17.570 2.945 -1.859 1.00 0.41 C ATOM 499 O ASN A 34 16.491 2.361 -1.769 1.00 0.56 O ATOM 500 CB ASN A 34 19.021 5.038 -1.862 1.00 0.56 C ATOM 501 CG ASN A 34 19.884 4.621 -0.686 1.00 1.37 C ATOM 502 OD1 ASN A 34 20.595 3.619 -0.748 1.00 2.12 O ATOM 503 ND2 ASN A 34 19.817 5.386 0.396 1.00 2.11 N ATOM 0 H ASN A 34 17.498 4.681 0.294 1.00 0.57 H new ATOM 0 HA ASN A 34 17.056 4.816 -2.652 1.00 0.47 H new ATOM 0 HB2 ASN A 34 19.492 4.710 -2.789 1.00 0.56 H new ATOM 0 HB3 ASN A 34 18.966 6.126 -1.901 1.00 0.56 H new ATOM 0 HD21 ASN A 34 20.369 5.152 1.221 1.00 2.11 H new ATOM 0 HD22 ASN A 34 19.213 6.208 0.403 1.00 2.11 H new ATOM 510 N ILE A 35 18.710 2.292 -2.040 1.00 0.54 N ATOM 511 CA ILE A 35 18.720 0.858 -2.108 1.00 0.54 C ATOM 512 C ILE A 35 19.924 0.256 -1.414 1.00 0.56 C ATOM 513 O ILE A 35 20.392 -0.819 -1.774 1.00 0.63 O ATOM 514 CB ILE A 35 18.616 0.356 -3.553 1.00 0.60 C ATOM 515 CG1 ILE A 35 19.536 1.154 -4.487 1.00 0.70 C ATOM 516 CG2 ILE A 35 17.171 0.446 -4.014 1.00 0.66 C ATOM 517 CD1 ILE A 35 19.098 2.586 -4.706 1.00 1.05 C ATOM 0 H ILE A 35 19.623 2.736 -2.140 1.00 0.54 H new ATOM 0 HA ILE A 35 17.834 0.521 -1.570 1.00 0.54 H new ATOM 0 HB ILE A 35 18.941 -0.684 -3.588 1.00 0.60 H new ATOM 0 HG12 ILE A 35 20.545 1.152 -4.075 1.00 0.70 H new ATOM 0 HG13 ILE A 35 19.585 0.648 -5.451 1.00 0.70 H new ATOM 0 HG21 ILE A 35 17.094 0.090 -5.041 1.00 0.66 H new ATOM 0 HG22 ILE A 35 16.544 -0.169 -3.369 1.00 0.66 H new ATOM 0 HG23 ILE A 35 16.837 1.482 -3.963 1.00 0.66 H new ATOM 0 HD11 ILE A 35 19.799 3.082 -5.377 1.00 1.05 H new ATOM 0 HD12 ILE A 35 18.102 2.598 -5.148 1.00 1.05 H new ATOM 0 HD13 ILE A 35 19.077 3.110 -3.751 1.00 1.05 H new ATOM 529 N ASN A 36 20.415 0.963 -0.415 1.00 0.59 N ATOM 530 CA ASN A 36 21.537 0.493 0.374 1.00 0.63 C ATOM 531 C ASN A 36 21.025 -0.470 1.418 1.00 0.59 C ATOM 532 O ASN A 36 21.373 -1.648 1.418 1.00 0.59 O ATOM 533 CB ASN A 36 22.247 1.665 1.037 1.00 0.70 C ATOM 534 CG ASN A 36 22.928 2.593 0.043 1.00 1.33 C ATOM 535 OD1 ASN A 36 22.888 3.813 0.193 1.00 2.15 O ATOM 536 ND2 ASN A 36 23.575 2.022 -0.970 1.00 1.89 N ATOM 0 H ASN A 36 20.051 1.872 -0.129 1.00 0.59 H new ATOM 0 HA ASN A 36 22.254 -0.013 -0.272 1.00 0.63 H new ATOM 0 HB2 ASN A 36 21.525 2.236 1.621 1.00 0.70 H new ATOM 0 HB3 ASN A 36 22.991 1.283 1.736 1.00 0.70 H new ATOM 0 HD21 ASN A 36 24.060 2.600 -1.656 1.00 1.89 H new ATOM 0 HD22 ASN A 36 23.585 1.006 -1.061 1.00 1.89 H new ATOM 543 N GLU A 37 20.200 0.028 2.326 1.00 0.57 N ATOM 544 CA GLU A 37 19.630 -0.847 3.325 1.00 0.56 C ATOM 545 C GLU A 37 18.535 -1.683 2.685 1.00 0.50 C ATOM 546 O GLU A 37 18.111 -2.690 3.250 1.00 0.52 O ATOM 547 CB GLU A 37 19.111 -0.092 4.529 1.00 0.66 C ATOM 548 CG GLU A 37 19.959 1.107 4.867 1.00 0.75 C ATOM 549 CD GLU A 37 19.580 1.746 6.189 1.00 0.76 C ATOM 550 OE1 GLU A 37 20.133 1.330 7.230 1.00 1.40 O ATOM 551 OE2 GLU A 37 18.730 2.660 6.186 1.00 1.29 O ATOM 0 H GLU A 37 19.919 1.007 2.389 1.00 0.57 H new ATOM 0 HA GLU A 37 20.419 -1.500 3.698 1.00 0.56 H new ATOM 0 HB2 GLU A 37 18.088 0.233 4.337 1.00 0.66 H new ATOM 0 HB3 GLU A 37 19.077 -0.763 5.388 1.00 0.66 H new ATOM 0 HG2 GLU A 37 21.006 0.807 4.902 1.00 0.75 H new ATOM 0 HG3 GLU A 37 19.866 1.847 4.072 1.00 0.75 H new ATOM 558 N PHE A 38 18.053 -1.263 1.499 1.00 0.46 N ATOM 559 CA PHE A 38 17.077 -2.056 0.787 1.00 0.42 C ATOM 560 C PHE A 38 17.704 -3.428 0.572 1.00 0.45 C ATOM 561 O PHE A 38 17.019 -4.443 0.519 1.00 0.45 O ATOM 562 CB PHE A 38 16.714 -1.404 -0.556 1.00 0.43 C ATOM 563 CG PHE A 38 15.506 -1.999 -1.215 1.00 0.41 C ATOM 564 CD1 PHE A 38 15.497 -3.320 -1.625 1.00 1.30 C ATOM 565 CD2 PHE A 38 14.379 -1.229 -1.422 1.00 1.21 C ATOM 566 CE1 PHE A 38 14.380 -3.863 -2.232 1.00 1.32 C ATOM 567 CE2 PHE A 38 13.258 -1.763 -2.028 1.00 1.21 C ATOM 568 CZ PHE A 38 13.257 -3.083 -2.434 1.00 0.45 C ATOM 0 H PHE A 38 18.326 -0.396 1.036 1.00 0.46 H new ATOM 0 HA PHE A 38 16.151 -2.135 1.356 1.00 0.42 H new ATOM 0 HB2 PHE A 38 16.541 -0.340 -0.397 1.00 0.43 H new ATOM 0 HB3 PHE A 38 17.564 -1.491 -1.232 1.00 0.43 H new ATOM 0 HD1 PHE A 38 16.372 -3.934 -1.469 1.00 1.30 H new ATOM 0 HD2 PHE A 38 14.374 -0.196 -1.106 1.00 1.21 H new ATOM 0 HE1 PHE A 38 14.385 -4.896 -2.548 1.00 1.32 H new ATOM 0 HE2 PHE A 38 12.383 -1.149 -2.184 1.00 1.21 H new ATOM 0 HZ PHE A 38 12.382 -3.504 -2.907 1.00 0.45 H new ATOM 578 N LYS A 39 19.049 -3.431 0.514 1.00 0.49 N ATOM 579 CA LYS A 39 19.816 -4.655 0.360 1.00 0.53 C ATOM 580 C LYS A 39 19.584 -5.592 1.526 1.00 0.53 C ATOM 581 O LYS A 39 19.960 -6.757 1.500 1.00 0.56 O ATOM 582 CB LYS A 39 21.296 -4.340 0.216 1.00 0.61 C ATOM 583 CG LYS A 39 21.544 -3.261 -0.800 1.00 0.67 C ATOM 584 CD LYS A 39 22.206 -3.803 -2.048 1.00 0.71 C ATOM 585 CE LYS A 39 23.626 -4.274 -1.774 1.00 1.47 C ATOM 586 NZ LYS A 39 24.273 -4.823 -2.998 1.00 1.80 N ATOM 0 H LYS A 39 19.619 -2.587 0.573 1.00 0.49 H new ATOM 0 HA LYS A 39 19.477 -5.155 -0.547 1.00 0.53 H new ATOM 0 HB2 LYS A 39 21.696 -4.029 1.181 1.00 0.61 H new ATOM 0 HB3 LYS A 39 21.832 -5.243 -0.075 1.00 0.61 H new ATOM 0 HG2 LYS A 39 20.598 -2.789 -1.066 1.00 0.67 H new ATOM 0 HG3 LYS A 39 22.174 -2.487 -0.361 1.00 0.67 H new ATOM 0 HD2 LYS A 39 21.617 -4.632 -2.441 1.00 0.71 H new ATOM 0 HD3 LYS A 39 22.221 -3.030 -2.817 1.00 0.71 H new ATOM 0 HE2 LYS A 39 24.218 -3.442 -1.392 1.00 1.47 H new ATOM 0 HE3 LYS A 39 23.612 -5.038 -0.997 1.00 1.47 H new ATOM 0 HZ1 LYS A 39 25.239 -5.133 -2.771 1.00 1.80 H new ATOM 0 HZ2 LYS A 39 23.723 -5.633 -3.348 1.00 1.80 H new ATOM 0 HZ3 LYS A 39 24.310 -4.087 -3.731 1.00 1.80 H new ATOM 600 N GLU A 40 19.026 -5.033 2.567 1.00 0.52 N ATOM 601 CA GLU A 40 18.660 -5.777 3.753 1.00 0.56 C ATOM 602 C GLU A 40 17.307 -6.453 3.533 1.00 0.54 C ATOM 603 O GLU A 40 16.895 -7.312 4.312 1.00 0.60 O ATOM 604 CB GLU A 40 18.616 -4.836 4.951 1.00 0.60 C ATOM 605 CG GLU A 40 19.848 -3.963 5.031 1.00 1.09 C ATOM 606 CD GLU A 40 21.113 -4.759 5.287 1.00 1.91 C ATOM 607 OE1 GLU A 40 21.422 -5.020 6.468 1.00 2.62 O ATOM 608 OE2 GLU A 40 21.795 -5.118 4.305 1.00 2.43 O ATOM 0 H GLU A 40 18.809 -4.038 2.620 1.00 0.52 H new ATOM 0 HA GLU A 40 19.402 -6.550 3.952 1.00 0.56 H new ATOM 0 HB2 GLU A 40 17.729 -4.206 4.885 1.00 0.60 H new ATOM 0 HB3 GLU A 40 18.525 -5.419 5.867 1.00 0.60 H new ATOM 0 HG2 GLU A 40 19.956 -3.407 4.100 1.00 1.09 H new ATOM 0 HG3 GLU A 40 19.718 -3.230 5.827 1.00 1.09 H new ATOM 615 N LEU A 41 16.614 -6.044 2.463 1.00 0.49 N ATOM 616 CA LEU A 41 15.316 -6.616 2.127 1.00 0.50 C ATOM 617 C LEU A 41 15.455 -8.042 1.617 1.00 0.55 C ATOM 618 O LEU A 41 15.509 -8.956 2.421 1.00 0.62 O ATOM 619 CB LEU A 41 14.567 -5.759 1.096 1.00 0.46 C ATOM 620 CG LEU A 41 14.290 -4.302 1.477 1.00 0.44 C ATOM 621 CD1 LEU A 41 13.052 -3.803 0.753 1.00 0.55 C ATOM 622 CD2 LEU A 41 14.138 -4.131 2.983 1.00 0.66 C ATOM 0 H LEU A 41 16.935 -5.320 1.820 1.00 0.49 H new ATOM 0 HA LEU A 41 14.731 -6.631 3.046 1.00 0.50 H new ATOM 0 HB2 LEU A 41 15.141 -5.764 0.169 1.00 0.46 H new ATOM 0 HB3 LEU A 41 13.613 -6.241 0.883 1.00 0.46 H new ATOM 0 HG LEU A 41 15.148 -3.705 1.169 1.00 0.44 H new ATOM 0 HD11 LEU A 41 12.862 -2.766 1.030 1.00 0.55 H new ATOM 0 HD12 LEU A 41 13.209 -3.869 -0.324 1.00 0.55 H new ATOM 0 HD13 LEU A 41 12.195 -4.416 1.033 1.00 0.55 H new ATOM 0 HD21 LEU A 41 13.943 -3.083 3.212 1.00 0.66 H new ATOM 0 HD22 LEU A 41 13.307 -4.741 3.336 1.00 0.66 H new ATOM 0 HD23 LEU A 41 15.056 -4.446 3.479 1.00 0.66 H new ATOM 634 N ALA A 42 15.535 -8.237 0.289 1.00 0.55 N ATOM 635 CA ALA A 42 15.643 -9.577 -0.280 1.00 0.61 C ATOM 636 C ALA A 42 16.524 -10.495 0.556 1.00 0.67 C ATOM 637 O ALA A 42 16.309 -11.693 0.602 1.00 0.74 O ATOM 638 CB ALA A 42 16.174 -9.502 -1.677 1.00 0.65 C ATOM 0 H ALA A 42 15.526 -7.485 -0.400 1.00 0.55 H new ATOM 0 HA ALA A 42 14.640 -10.003 -0.286 1.00 0.61 H new ATOM 0 HB1 ALA A 42 16.250 -10.507 -2.092 1.00 0.65 H new ATOM 0 HB2 ALA A 42 15.499 -8.906 -2.291 1.00 0.65 H new ATOM 0 HB3 ALA A 42 17.160 -9.038 -1.667 1.00 0.65 H new ATOM 644 N THR A 43 17.507 -9.920 1.226 1.00 0.66 N ATOM 645 CA THR A 43 18.403 -10.681 2.063 1.00 0.73 C ATOM 646 C THR A 43 17.646 -11.368 3.206 1.00 0.78 C ATOM 647 O THR A 43 17.671 -12.591 3.329 1.00 0.86 O ATOM 648 CB THR A 43 19.486 -9.749 2.620 1.00 0.72 C ATOM 649 OG1 THR A 43 18.930 -8.447 2.858 1.00 0.66 O ATOM 650 CG2 THR A 43 20.656 -9.635 1.654 1.00 0.75 C ATOM 0 H THR A 43 17.702 -8.919 1.203 1.00 0.66 H new ATOM 0 HA THR A 43 18.867 -11.463 1.462 1.00 0.73 H new ATOM 0 HB THR A 43 19.851 -10.170 3.557 1.00 0.72 H new ATOM 0 HG1 THR A 43 19.143 -7.858 2.104 1.00 0.66 H new ATOM 0 HG21 THR A 43 21.410 -8.968 2.073 1.00 0.75 H new ATOM 0 HG22 THR A 43 21.092 -10.621 1.493 1.00 0.75 H new ATOM 0 HG23 THR A 43 20.305 -9.234 0.703 1.00 0.75 H new ATOM 658 N GLN A 44 17.008 -10.576 4.064 1.00 0.77 N ATOM 659 CA GLN A 44 16.210 -11.107 5.157 1.00 0.85 C ATOM 660 C GLN A 44 14.847 -11.523 4.636 1.00 0.85 C ATOM 661 O GLN A 44 14.208 -12.435 5.160 1.00 0.94 O ATOM 662 CB GLN A 44 16.058 -10.063 6.263 1.00 0.88 C ATOM 663 CG GLN A 44 17.318 -9.853 7.086 1.00 1.54 C ATOM 664 CD GLN A 44 17.833 -11.131 7.725 1.00 2.05 C ATOM 665 OE1 GLN A 44 19.038 -11.304 7.900 1.00 2.54 O ATOM 666 NE2 GLN A 44 16.923 -12.032 8.087 1.00 2.75 N ATOM 0 H GLN A 44 17.031 -9.557 4.019 1.00 0.77 H new ATOM 0 HA GLN A 44 16.715 -11.978 5.575 1.00 0.85 H new ATOM 0 HB2 GLN A 44 15.765 -9.113 5.815 1.00 0.88 H new ATOM 0 HB3 GLN A 44 15.248 -10.366 6.927 1.00 0.88 H new ATOM 0 HG2 GLN A 44 18.096 -9.434 6.448 1.00 1.54 H new ATOM 0 HG3 GLN A 44 17.117 -9.119 7.867 1.00 1.54 H new ATOM 0 HE21 GLN A 44 15.933 -11.850 7.924 1.00 2.75 H new ATOM 0 HE22 GLN A 44 17.216 -12.904 8.527 1.00 2.75 H new ATOM 675 N GLN A 45 14.417 -10.830 3.598 1.00 0.78 N ATOM 676 CA GLN A 45 13.169 -11.104 2.942 1.00 0.83 C ATOM 677 C GLN A 45 13.253 -12.453 2.269 1.00 0.79 C ATOM 678 O GLN A 45 12.260 -13.174 2.162 1.00 0.80 O ATOM 679 CB GLN A 45 12.923 -10.020 1.918 1.00 0.93 C ATOM 680 CG GLN A 45 12.540 -8.704 2.535 1.00 0.97 C ATOM 681 CD GLN A 45 11.073 -8.438 2.354 1.00 1.36 C ATOM 682 OE1 GLN A 45 10.269 -8.727 3.237 1.00 2.34 O ATOM 683 NE2 GLN A 45 10.711 -7.919 1.186 1.00 1.43 N ATOM 0 H GLN A 45 14.937 -10.054 3.188 1.00 0.78 H new ATOM 0 HA GLN A 45 12.349 -11.120 3.660 1.00 0.83 H new ATOM 0 HB2 GLN A 45 13.822 -9.885 1.317 1.00 0.93 H new ATOM 0 HB3 GLN A 45 12.132 -10.341 1.240 1.00 0.93 H new ATOM 0 HG2 GLN A 45 12.785 -8.710 3.597 1.00 0.97 H new ATOM 0 HG3 GLN A 45 13.119 -7.901 2.079 1.00 0.97 H new ATOM 0 HE21 GLN A 45 11.418 -7.696 0.486 1.00 1.43 H new ATOM 0 HE22 GLN A 45 9.726 -7.743 0.990 1.00 1.43 H new ATOM 692 N LEU A 46 14.464 -12.781 1.800 1.00 0.78 N ATOM 693 CA LEU A 46 14.734 -14.064 1.164 1.00 0.78 C ATOM 694 C LEU A 46 14.036 -15.140 1.963 1.00 0.74 C ATOM 695 O LEU A 46 13.084 -15.742 1.478 1.00 0.75 O ATOM 696 CB LEU A 46 16.242 -14.354 1.088 1.00 0.83 C ATOM 697 CG LEU A 46 16.895 -14.261 -0.298 1.00 1.04 C ATOM 698 CD1 LEU A 46 18.221 -15.004 -0.306 1.00 1.25 C ATOM 699 CD2 LEU A 46 15.973 -14.807 -1.378 1.00 1.30 C ATOM 0 H LEU A 46 15.275 -12.165 1.853 1.00 0.78 H new ATOM 0 HA LEU A 46 14.361 -14.041 0.140 1.00 0.78 H new ATOM 0 HB2 LEU A 46 16.756 -13.660 1.753 1.00 0.83 H new ATOM 0 HB3 LEU A 46 16.415 -15.357 1.479 1.00 0.83 H new ATOM 0 HG LEU A 46 17.079 -13.209 -0.516 1.00 1.04 H new ATOM 0 HD11 LEU A 46 18.673 -14.930 -1.295 1.00 1.25 H new ATOM 0 HD12 LEU A 46 18.890 -14.563 0.433 1.00 1.25 H new ATOM 0 HD13 LEU A 46 18.052 -16.053 -0.062 1.00 1.25 H new ATOM 0 HD21 LEU A 46 16.463 -14.728 -2.349 1.00 1.30 H new ATOM 0 HD22 LEU A 46 15.748 -15.853 -1.169 1.00 1.30 H new ATOM 0 HD23 LEU A 46 15.047 -14.232 -1.391 1.00 1.30 H new ATOM 711 N PRO A 47 14.470 -15.393 3.214 1.00 0.78 N ATOM 712 CA PRO A 47 13.768 -16.364 4.014 1.00 0.80 C ATOM 713 C PRO A 47 12.544 -15.720 4.642 1.00 0.77 C ATOM 714 O PRO A 47 12.598 -15.149 5.731 1.00 0.81 O ATOM 715 CB PRO A 47 14.794 -16.699 5.096 1.00 0.90 C ATOM 716 CG PRO A 47 15.598 -15.451 5.252 1.00 0.95 C ATOM 717 CD PRO A 47 15.626 -14.795 3.896 1.00 0.90 C ATOM 0 HA PRO A 47 13.419 -17.232 3.455 1.00 0.80 H new ATOM 0 HB2 PRO A 47 14.308 -16.977 6.031 1.00 0.90 H new ATOM 0 HB3 PRO A 47 15.421 -17.540 4.801 1.00 0.90 H new ATOM 0 HG2 PRO A 47 15.151 -14.790 5.995 1.00 0.95 H new ATOM 0 HG3 PRO A 47 16.607 -15.679 5.595 1.00 0.95 H new ATOM 0 HD2 PRO A 47 15.534 -13.711 3.970 1.00 0.90 H new ATOM 0 HD3 PRO A 47 16.557 -15.001 3.368 1.00 0.90 H new ATOM 725 N HIS A 48 11.449 -15.824 3.919 1.00 0.73 N ATOM 726 CA HIS A 48 10.149 -15.350 4.361 1.00 0.74 C ATOM 727 C HIS A 48 9.350 -16.500 4.940 1.00 0.83 C ATOM 728 O HIS A 48 9.897 -17.560 5.247 1.00 0.91 O ATOM 729 CB HIS A 48 9.403 -14.692 3.196 1.00 0.73 C ATOM 730 CG HIS A 48 9.204 -13.226 3.389 1.00 0.98 C ATOM 731 ND1 HIS A 48 8.440 -12.707 4.411 1.00 1.87 N ATOM 732 CD2 HIS A 48 9.676 -12.167 2.695 1.00 1.34 C ATOM 733 CE1 HIS A 48 8.450 -11.391 4.338 1.00 2.04 C ATOM 734 NE2 HIS A 48 9.193 -11.038 3.305 1.00 1.61 N ATOM 0 H HIS A 48 11.434 -16.247 2.991 1.00 0.73 H new ATOM 0 HA HIS A 48 10.285 -14.601 5.141 1.00 0.74 H new ATOM 0 HB2 HIS A 48 9.959 -14.860 2.274 1.00 0.73 H new ATOM 0 HB3 HIS A 48 8.432 -15.173 3.075 1.00 0.73 H new ATOM 0 HD2 HIS A 48 10.314 -12.203 1.824 1.00 1.34 H new ATOM 0 HE1 HIS A 48 7.938 -10.717 5.008 1.00 2.04 H new ATOM 0 HE2 HIS A 48 9.378 -10.080 3.009 1.00 1.61 H new ATOM 743 N LEU A 49 8.053 -16.286 5.091 1.00 0.88 N ATOM 744 CA LEU A 49 7.171 -17.354 5.511 1.00 1.00 C ATOM 745 C LEU A 49 6.878 -18.154 4.246 1.00 0.98 C ATOM 746 O LEU A 49 7.524 -19.167 3.976 1.00 1.02 O ATOM 747 CB LEU A 49 5.887 -16.805 6.141 1.00 1.10 C ATOM 748 CG LEU A 49 6.062 -16.188 7.530 1.00 1.62 C ATOM 749 CD1 LEU A 49 4.740 -15.634 8.037 1.00 2.02 C ATOM 750 CD2 LEU A 49 6.619 -17.216 8.503 1.00 2.44 C ATOM 0 H LEU A 49 7.594 -15.389 4.930 1.00 0.88 H new ATOM 0 HA LEU A 49 7.628 -17.975 6.281 1.00 1.00 H new ATOM 0 HB2 LEU A 49 5.467 -16.051 5.475 1.00 1.10 H new ATOM 0 HB3 LEU A 49 5.158 -17.613 6.208 1.00 1.10 H new ATOM 0 HG LEU A 49 6.773 -15.365 7.455 1.00 1.62 H new ATOM 0 HD11 LEU A 49 4.883 -15.199 9.026 1.00 2.02 H new ATOM 0 HD12 LEU A 49 4.380 -14.866 7.352 1.00 2.02 H new ATOM 0 HD13 LEU A 49 4.007 -16.439 8.097 1.00 2.02 H new ATOM 0 HD21 LEU A 49 6.737 -16.760 9.486 1.00 2.44 H new ATOM 0 HD22 LEU A 49 5.932 -18.059 8.574 1.00 2.44 H new ATOM 0 HD23 LEU A 49 7.588 -17.567 8.147 1.00 2.44 H new ATOM 762 N LEU A 50 5.897 -17.691 3.473 1.00 0.98 N ATOM 763 CA LEU A 50 5.579 -18.294 2.183 1.00 1.01 C ATOM 764 C LEU A 50 6.478 -17.665 1.109 1.00 0.92 C ATOM 765 O LEU A 50 5.997 -17.208 0.071 1.00 1.01 O ATOM 766 CB LEU A 50 4.105 -18.086 1.829 1.00 1.11 C ATOM 767 CG LEU A 50 3.687 -16.635 1.593 1.00 1.60 C ATOM 768 CD1 LEU A 50 2.789 -16.539 0.369 1.00 1.97 C ATOM 769 CD2 LEU A 50 2.978 -16.073 2.817 1.00 2.25 C ATOM 0 H LEU A 50 5.307 -16.897 3.721 1.00 0.98 H new ATOM 0 HA LEU A 50 5.758 -19.368 2.235 1.00 1.01 H new ATOM 0 HB2 LEU A 50 3.879 -18.662 0.932 1.00 1.11 H new ATOM 0 HB3 LEU A 50 3.494 -18.496 2.633 1.00 1.11 H new ATOM 0 HG LEU A 50 4.584 -16.042 1.417 1.00 1.60 H new ATOM 0 HD11 LEU A 50 2.498 -15.500 0.212 1.00 1.97 H new ATOM 0 HD12 LEU A 50 3.327 -16.902 -0.507 1.00 1.97 H new ATOM 0 HD13 LEU A 50 1.897 -17.146 0.524 1.00 1.97 H new ATOM 0 HD21 LEU A 50 2.689 -15.039 2.627 1.00 2.25 H new ATOM 0 HD22 LEU A 50 2.088 -16.666 3.026 1.00 2.25 H new ATOM 0 HD23 LEU A 50 3.649 -16.111 3.675 1.00 2.25 H new ATOM 781 N LYS A 51 7.783 -17.653 1.371 1.00 0.85 N ATOM 782 CA LYS A 51 8.767 -17.043 0.483 1.00 0.81 C ATOM 783 C LYS A 51 8.481 -17.277 -0.993 1.00 0.88 C ATOM 784 O LYS A 51 7.853 -18.260 -1.386 1.00 1.03 O ATOM 785 CB LYS A 51 10.162 -17.579 0.819 1.00 0.97 C ATOM 786 CG LYS A 51 11.260 -17.105 -0.136 1.00 1.23 C ATOM 787 CD LYS A 51 12.561 -17.903 -0.003 1.00 2.11 C ATOM 788 CE LYS A 51 12.815 -18.388 1.418 1.00 2.68 C ATOM 789 NZ LYS A 51 14.270 -18.502 1.717 1.00 3.58 N ATOM 0 H LYS A 51 8.188 -18.068 2.210 1.00 0.85 H new ATOM 0 HA LYS A 51 8.711 -15.967 0.649 1.00 0.81 H new ATOM 0 HB2 LYS A 51 10.422 -17.276 1.833 1.00 0.97 H new ATOM 0 HB3 LYS A 51 10.133 -18.669 0.810 1.00 0.97 H new ATOM 0 HG2 LYS A 51 10.898 -17.180 -1.161 1.00 1.23 H new ATOM 0 HG3 LYS A 51 11.467 -16.051 0.052 1.00 1.23 H new ATOM 0 HD2 LYS A 51 12.525 -18.761 -0.674 1.00 2.11 H new ATOM 0 HD3 LYS A 51 13.397 -17.282 -0.325 1.00 2.11 H new ATOM 0 HE2 LYS A 51 12.353 -17.699 2.124 1.00 2.68 H new ATOM 0 HE3 LYS A 51 12.338 -19.358 1.561 1.00 2.68 H new ATOM 0 HZ1 LYS A 51 14.402 -18.686 2.732 1.00 3.58 H new ATOM 0 HZ2 LYS A 51 14.677 -19.285 1.167 1.00 3.58 H new ATOM 0 HZ3 LYS A 51 14.748 -17.614 1.461 1.00 3.58 H new ATOM 803 N ASP A 52 8.964 -16.335 -1.794 1.00 0.92 N ATOM 804 CA ASP A 52 8.837 -16.386 -3.245 1.00 1.17 C ATOM 805 C ASP A 52 10.196 -16.696 -3.874 1.00 1.23 C ATOM 806 O ASP A 52 10.264 -17.318 -4.928 1.00 1.47 O ATOM 807 CB ASP A 52 8.299 -15.060 -3.789 1.00 1.29 C ATOM 808 CG ASP A 52 6.843 -14.831 -3.432 1.00 1.87 C ATOM 809 OD1 ASP A 52 5.971 -15.452 -4.074 1.00 2.61 O ATOM 810 OD2 ASP A 52 6.577 -14.033 -2.510 1.00 2.35 O ATOM 0 H ASP A 52 9.457 -15.510 -1.453 1.00 0.92 H new ATOM 0 HA ASP A 52 8.131 -17.175 -3.504 1.00 1.17 H new ATOM 0 HB2 ASP A 52 8.899 -14.240 -3.395 1.00 1.29 H new ATOM 0 HB3 ASP A 52 8.410 -15.044 -4.873 1.00 1.29 H new ATOM 815 N VAL A 53 11.263 -16.258 -3.189 1.00 1.13 N ATOM 816 CA VAL A 53 12.654 -16.457 -3.610 1.00 1.26 C ATOM 817 C VAL A 53 13.231 -15.223 -4.314 1.00 1.24 C ATOM 818 O VAL A 53 13.278 -15.116 -5.539 1.00 1.48 O ATOM 819 CB VAL A 53 12.852 -17.756 -4.438 1.00 1.57 C ATOM 820 CG1 VAL A 53 12.665 -17.565 -5.943 1.00 2.17 C ATOM 821 CG2 VAL A 53 14.218 -18.361 -4.149 1.00 1.91 C ATOM 0 H VAL A 53 11.179 -15.746 -2.311 1.00 1.13 H new ATOM 0 HA VAL A 53 13.231 -16.592 -2.695 1.00 1.26 H new ATOM 0 HB VAL A 53 12.065 -18.440 -4.120 1.00 1.57 H new ATOM 0 HG11 VAL A 53 12.819 -18.516 -6.452 1.00 2.17 H new ATOM 0 HG12 VAL A 53 11.655 -17.207 -6.142 1.00 2.17 H new ATOM 0 HG13 VAL A 53 13.387 -16.836 -6.310 1.00 2.17 H new ATOM 0 HG21 VAL A 53 14.344 -19.271 -4.736 1.00 1.91 H new ATOM 0 HG22 VAL A 53 14.996 -17.646 -4.416 1.00 1.91 H new ATOM 0 HG23 VAL A 53 14.293 -18.600 -3.088 1.00 1.91 H new ATOM 831 N GLY A 54 13.649 -14.267 -3.500 1.00 1.06 N ATOM 832 CA GLY A 54 14.247 -13.052 -4.026 1.00 1.11 C ATOM 833 C GLY A 54 15.381 -13.350 -4.990 1.00 1.14 C ATOM 834 O GLY A 54 16.529 -13.515 -4.577 1.00 1.24 O ATOM 0 H GLY A 54 13.586 -14.308 -2.483 1.00 1.06 H new ATOM 0 HA2 GLY A 54 13.484 -12.463 -4.534 1.00 1.11 H new ATOM 0 HA3 GLY A 54 14.622 -12.445 -3.201 1.00 1.11 H new ATOM 838 N SER A 55 15.057 -13.419 -6.277 1.00 1.18 N ATOM 839 CA SER A 55 16.050 -13.711 -7.307 1.00 1.25 C ATOM 840 C SER A 55 17.281 -12.820 -7.155 1.00 1.11 C ATOM 841 O SER A 55 17.167 -11.607 -7.001 1.00 1.10 O ATOM 842 CB SER A 55 15.436 -13.528 -8.695 1.00 1.41 C ATOM 843 OG SER A 55 16.311 -13.992 -9.708 1.00 1.61 O ATOM 0 H SER A 55 14.112 -13.276 -6.633 1.00 1.18 H new ATOM 0 HA SER A 55 16.366 -14.747 -7.189 1.00 1.25 H new ATOM 0 HB2 SER A 55 14.491 -14.068 -8.752 1.00 1.41 H new ATOM 0 HB3 SER A 55 15.211 -12.474 -8.860 1.00 1.41 H new ATOM 0 HG SER A 55 15.893 -13.864 -10.585 1.00 1.61 H new ATOM 849 N LEU A 56 18.459 -13.436 -7.211 1.00 1.15 N ATOM 850 CA LEU A 56 19.721 -12.713 -7.066 1.00 1.10 C ATOM 851 C LEU A 56 19.738 -11.430 -7.893 1.00 0.98 C ATOM 852 O LEU A 56 19.694 -10.328 -7.348 1.00 0.97 O ATOM 853 CB LEU A 56 20.894 -13.610 -7.473 1.00 1.28 C ATOM 854 CG LEU A 56 22.282 -13.095 -7.077 1.00 2.03 C ATOM 855 CD1 LEU A 56 22.625 -11.819 -7.832 1.00 2.61 C ATOM 856 CD2 LEU A 56 22.351 -12.860 -5.575 1.00 2.83 C ATOM 0 H LEU A 56 18.567 -14.440 -7.357 1.00 1.15 H new ATOM 0 HA LEU A 56 19.821 -12.435 -6.017 1.00 1.10 H new ATOM 0 HB2 LEU A 56 20.749 -14.594 -7.027 1.00 1.28 H new ATOM 0 HB3 LEU A 56 20.869 -13.744 -8.555 1.00 1.28 H new ATOM 0 HG LEU A 56 23.016 -13.854 -7.346 1.00 2.03 H new ATOM 0 HD11 LEU A 56 23.615 -11.474 -7.533 1.00 2.61 H new ATOM 0 HD12 LEU A 56 22.618 -12.017 -8.904 1.00 2.61 H new ATOM 0 HD13 LEU A 56 21.888 -11.050 -7.601 1.00 2.61 H new ATOM 0 HD21 LEU A 56 23.343 -12.494 -5.309 1.00 2.83 H new ATOM 0 HD22 LEU A 56 21.603 -12.121 -5.288 1.00 2.83 H new ATOM 0 HD23 LEU A 56 22.157 -13.796 -5.051 1.00 2.83 H new ATOM 868 N ASP A 57 19.805 -11.580 -9.212 1.00 1.00 N ATOM 869 CA ASP A 57 19.844 -10.433 -10.115 1.00 1.01 C ATOM 870 C ASP A 57 18.787 -9.410 -9.750 1.00 0.95 C ATOM 871 O ASP A 57 19.070 -8.219 -9.650 1.00 0.96 O ATOM 872 CB ASP A 57 19.627 -10.872 -11.555 1.00 1.15 C ATOM 873 CG ASP A 57 18.540 -11.922 -11.683 1.00 1.69 C ATOM 874 OD1 ASP A 57 17.361 -11.540 -11.842 1.00 2.20 O ATOM 875 OD2 ASP A 57 18.868 -13.126 -11.625 1.00 2.48 O ATOM 0 H ASP A 57 19.833 -12.485 -9.681 1.00 1.00 H new ATOM 0 HA ASP A 57 20.830 -9.979 -10.015 1.00 1.01 H new ATOM 0 HB2 ASP A 57 19.363 -10.005 -12.160 1.00 1.15 H new ATOM 0 HB3 ASP A 57 20.560 -11.268 -11.955 1.00 1.15 H new ATOM 880 N GLU A 58 17.565 -9.890 -9.545 1.00 0.94 N ATOM 881 CA GLU A 58 16.449 -9.025 -9.188 1.00 0.95 C ATOM 882 C GLU A 58 16.857 -8.110 -8.059 1.00 0.87 C ATOM 883 O GLU A 58 16.544 -6.925 -8.055 1.00 0.90 O ATOM 884 CB GLU A 58 15.236 -9.857 -8.770 1.00 0.98 C ATOM 885 CG GLU A 58 14.435 -10.393 -9.943 1.00 1.43 C ATOM 886 CD GLU A 58 13.675 -9.304 -10.674 1.00 1.80 C ATOM 887 OE1 GLU A 58 14.251 -8.696 -11.600 1.00 2.29 O ATOM 888 OE2 GLU A 58 12.502 -9.060 -10.319 1.00 2.42 O ATOM 0 H GLU A 58 17.323 -10.878 -9.621 1.00 0.94 H new ATOM 0 HA GLU A 58 16.176 -8.429 -10.059 1.00 0.95 H new ATOM 0 HB2 GLU A 58 15.573 -10.694 -8.158 1.00 0.98 H new ATOM 0 HB3 GLU A 58 14.585 -9.246 -8.145 1.00 0.98 H new ATOM 0 HG2 GLU A 58 15.108 -10.892 -10.640 1.00 1.43 H new ATOM 0 HG3 GLU A 58 13.732 -11.145 -9.585 1.00 1.43 H new ATOM 895 N LYS A 59 17.575 -8.675 -7.104 1.00 0.81 N ATOM 896 CA LYS A 59 18.041 -7.908 -5.974 1.00 0.76 C ATOM 897 C LYS A 59 19.009 -6.828 -6.433 1.00 0.80 C ATOM 898 O LYS A 59 19.086 -5.754 -5.838 1.00 0.79 O ATOM 899 CB LYS A 59 18.686 -8.831 -4.940 1.00 0.75 C ATOM 900 CG LYS A 59 17.746 -9.928 -4.461 1.00 0.75 C ATOM 901 CD LYS A 59 18.495 -11.099 -3.846 1.00 1.14 C ATOM 902 CE LYS A 59 19.229 -10.706 -2.577 1.00 1.95 C ATOM 903 NZ LYS A 59 20.039 -11.833 -2.038 1.00 2.67 N ATOM 0 H LYS A 59 17.845 -9.659 -7.093 1.00 0.81 H new ATOM 0 HA LYS A 59 17.191 -7.416 -5.502 1.00 0.76 H new ATOM 0 HB2 LYS A 59 19.578 -9.286 -5.372 1.00 0.75 H new ATOM 0 HB3 LYS A 59 19.012 -8.239 -4.085 1.00 0.75 H new ATOM 0 HG2 LYS A 59 17.054 -9.516 -3.727 1.00 0.75 H new ATOM 0 HG3 LYS A 59 17.147 -10.282 -5.300 1.00 0.75 H new ATOM 0 HD2 LYS A 59 17.792 -11.902 -3.623 1.00 1.14 H new ATOM 0 HD3 LYS A 59 19.209 -11.492 -4.570 1.00 1.14 H new ATOM 0 HE2 LYS A 59 19.879 -9.856 -2.781 1.00 1.95 H new ATOM 0 HE3 LYS A 59 18.509 -10.383 -1.825 1.00 1.95 H new ATOM 0 HZ1 LYS A 59 20.526 -11.527 -1.171 1.00 2.67 H new ATOM 0 HZ2 LYS A 59 19.415 -12.636 -1.820 1.00 2.67 H new ATOM 0 HZ3 LYS A 59 20.743 -12.124 -2.746 1.00 2.67 H new ATOM 917 N MET A 60 19.742 -7.121 -7.500 1.00 0.86 N ATOM 918 CA MET A 60 20.696 -6.177 -8.049 1.00 0.92 C ATOM 919 C MET A 60 20.013 -5.151 -8.954 1.00 0.96 C ATOM 920 O MET A 60 20.358 -3.970 -8.936 1.00 1.01 O ATOM 921 CB MET A 60 21.793 -6.915 -8.816 1.00 1.00 C ATOM 922 CG MET A 60 22.713 -7.725 -7.918 1.00 1.00 C ATOM 923 SD MET A 60 23.798 -6.686 -6.920 1.00 1.73 S ATOM 924 CE MET A 60 24.765 -5.880 -8.195 1.00 2.31 C ATOM 0 H MET A 60 19.691 -8.008 -8.001 1.00 0.86 H new ATOM 0 HA MET A 60 21.147 -5.638 -7.216 1.00 0.92 H new ATOM 0 HB2 MET A 60 21.332 -7.580 -9.546 1.00 1.00 H new ATOM 0 HB3 MET A 60 22.387 -6.191 -9.374 1.00 1.00 H new ATOM 0 HG2 MET A 60 22.112 -8.353 -7.261 1.00 1.00 H new ATOM 0 HG3 MET A 60 23.318 -8.392 -8.531 1.00 1.00 H new ATOM 0 HE1 MET A 60 25.712 -5.541 -7.774 1.00 2.31 H new ATOM 0 HE2 MET A 60 24.959 -6.584 -9.004 1.00 2.31 H new ATOM 0 HE3 MET A 60 24.213 -5.024 -8.583 1.00 2.31 H new ATOM 934 N LYS A 61 19.047 -5.610 -9.750 1.00 0.97 N ATOM 935 CA LYS A 61 18.319 -4.720 -10.657 1.00 1.02 C ATOM 936 C LYS A 61 17.272 -3.944 -9.889 1.00 0.96 C ATOM 937 O LYS A 61 17.222 -2.717 -9.941 1.00 0.92 O ATOM 938 CB LYS A 61 17.626 -5.491 -11.789 1.00 1.08 C ATOM 939 CG LYS A 61 18.141 -6.902 -12.009 1.00 1.55 C ATOM 940 CD LYS A 61 17.670 -7.470 -13.340 1.00 2.07 C ATOM 941 CE LYS A 61 18.223 -6.681 -14.516 1.00 2.59 C ATOM 942 NZ LYS A 61 19.710 -6.597 -14.479 1.00 3.16 N ATOM 0 H LYS A 61 18.751 -6.586 -9.786 1.00 0.97 H new ATOM 0 HA LYS A 61 19.051 -4.044 -11.098 1.00 1.02 H new ATOM 0 HB2 LYS A 61 16.558 -5.539 -11.576 1.00 1.08 H new ATOM 0 HB3 LYS A 61 17.741 -4.929 -12.716 1.00 1.08 H new ATOM 0 HG2 LYS A 61 19.231 -6.901 -11.979 1.00 1.55 H new ATOM 0 HG3 LYS A 61 17.800 -7.545 -11.197 1.00 1.55 H new ATOM 0 HD2 LYS A 61 17.982 -8.511 -13.422 1.00 2.07 H new ATOM 0 HD3 LYS A 61 16.581 -7.460 -13.375 1.00 2.07 H new ATOM 0 HE2 LYS A 61 17.909 -7.151 -15.448 1.00 2.59 H new ATOM 0 HE3 LYS A 61 17.802 -5.675 -14.508 1.00 2.59 H new ATOM 0 HZ1 LYS A 61 20.063 -6.283 -15.405 1.00 3.16 H new ATOM 0 HZ2 LYS A 61 20.001 -5.916 -13.748 1.00 3.16 H new ATOM 0 HZ3 LYS A 61 20.105 -7.533 -14.257 1.00 3.16 H new ATOM 956 N THR A 62 16.435 -4.679 -9.166 1.00 0.98 N ATOM 957 CA THR A 62 15.381 -4.074 -8.374 1.00 0.96 C ATOM 958 C THR A 62 15.934 -2.933 -7.534 1.00 0.86 C ATOM 959 O THR A 62 15.205 -2.017 -7.155 1.00 0.84 O ATOM 960 CB THR A 62 14.699 -5.108 -7.463 1.00 1.02 C ATOM 961 OG1 THR A 62 14.178 -6.187 -8.252 1.00 1.12 O ATOM 962 CG2 THR A 62 13.574 -4.469 -6.665 1.00 1.05 C ATOM 0 H THR A 62 16.469 -5.697 -9.115 1.00 0.98 H new ATOM 0 HA THR A 62 14.635 -3.682 -9.065 1.00 0.96 H new ATOM 0 HB THR A 62 15.444 -5.493 -6.766 1.00 1.02 H new ATOM 0 HG1 THR A 62 14.915 -6.759 -8.552 1.00 1.12 H new ATOM 0 HG21 THR A 62 13.107 -5.221 -6.028 1.00 1.05 H new ATOM 0 HG22 THR A 62 13.977 -3.668 -6.045 1.00 1.05 H new ATOM 0 HG23 THR A 62 12.830 -4.060 -7.348 1.00 1.05 H new ATOM 970 N LEU A 63 17.233 -2.998 -7.242 1.00 0.86 N ATOM 971 CA LEU A 63 17.897 -1.953 -6.478 1.00 0.84 C ATOM 972 C LEU A 63 17.558 -0.586 -7.071 1.00 0.80 C ATOM 973 O LEU A 63 16.679 0.116 -6.576 1.00 0.89 O ATOM 974 CB LEU A 63 19.415 -2.171 -6.493 1.00 0.95 C ATOM 975 CG LEU A 63 20.074 -2.390 -5.126 1.00 0.92 C ATOM 976 CD1 LEU A 63 20.749 -3.749 -5.070 1.00 1.05 C ATOM 977 CD2 LEU A 63 21.086 -1.290 -4.837 1.00 1.40 C ATOM 0 H LEU A 63 17.843 -3.765 -7.525 1.00 0.86 H new ATOM 0 HA LEU A 63 17.549 -1.991 -5.446 1.00 0.84 H new ATOM 0 HB2 LEU A 63 19.632 -3.034 -7.122 1.00 0.95 H new ATOM 0 HB3 LEU A 63 19.882 -1.307 -6.966 1.00 0.95 H new ATOM 0 HG LEU A 63 19.295 -2.356 -4.364 1.00 0.92 H new ATOM 0 HD11 LEU A 63 21.211 -3.886 -4.092 1.00 1.05 H new ATOM 0 HD12 LEU A 63 20.007 -4.531 -5.234 1.00 1.05 H new ATOM 0 HD13 LEU A 63 21.514 -3.807 -5.844 1.00 1.05 H new ATOM 0 HD21 LEU A 63 21.543 -1.463 -3.863 1.00 1.40 H new ATOM 0 HD22 LEU A 63 21.858 -1.295 -5.606 1.00 1.40 H new ATOM 0 HD23 LEU A 63 20.582 -0.323 -4.835 1.00 1.40 H new ATOM 989 N ASP A 64 18.228 -0.231 -8.163 1.00 0.79 N ATOM 990 CA ASP A 64 17.980 1.047 -8.814 1.00 0.82 C ATOM 991 C ASP A 64 16.493 1.224 -9.093 1.00 0.82 C ATOM 992 O ASP A 64 15.967 2.335 -9.022 1.00 0.89 O ATOM 993 CB ASP A 64 18.771 1.156 -10.116 1.00 0.91 C ATOM 994 CG ASP A 64 20.269 1.073 -9.896 1.00 1.35 C ATOM 995 OD1 ASP A 64 20.882 2.116 -9.590 1.00 2.05 O ATOM 996 OD2 ASP A 64 20.829 -0.036 -10.030 1.00 1.99 O ATOM 0 H ASP A 64 18.941 -0.806 -8.611 1.00 0.79 H new ATOM 0 HA ASP A 64 18.310 1.838 -8.140 1.00 0.82 H new ATOM 0 HB2 ASP A 64 18.462 0.359 -10.792 1.00 0.91 H new ATOM 0 HB3 ASP A 64 18.531 2.100 -10.605 1.00 0.91 H new ATOM 1001 N VAL A 65 15.817 0.122 -9.415 1.00 0.82 N ATOM 1002 CA VAL A 65 14.387 0.166 -9.686 1.00 0.87 C ATOM 1003 C VAL A 65 13.650 0.778 -8.501 1.00 0.77 C ATOM 1004 O VAL A 65 13.006 1.820 -8.626 1.00 0.82 O ATOM 1005 CB VAL A 65 13.818 -1.240 -9.984 1.00 0.95 C ATOM 1006 CG1 VAL A 65 12.309 -1.184 -10.180 1.00 1.06 C ATOM 1007 CG2 VAL A 65 14.492 -1.834 -11.212 1.00 1.07 C ATOM 0 H VAL A 65 16.236 -0.805 -9.493 1.00 0.82 H new ATOM 0 HA VAL A 65 14.237 0.784 -10.571 1.00 0.87 H new ATOM 0 HB VAL A 65 14.025 -1.881 -9.127 1.00 0.95 H new ATOM 0 HG11 VAL A 65 11.932 -2.185 -10.388 1.00 1.06 H new ATOM 0 HG12 VAL A 65 11.839 -0.800 -9.275 1.00 1.06 H new ATOM 0 HG13 VAL A 65 12.075 -0.527 -11.017 1.00 1.06 H new ATOM 0 HG21 VAL A 65 14.081 -2.824 -11.409 1.00 1.07 H new ATOM 0 HG22 VAL A 65 14.314 -1.189 -12.072 1.00 1.07 H new ATOM 0 HG23 VAL A 65 15.564 -1.915 -11.035 1.00 1.07 H new ATOM 1017 N ASN A 66 13.749 0.121 -7.349 1.00 0.72 N ATOM 1018 CA ASN A 66 13.112 0.603 -6.128 1.00 0.68 C ATOM 1019 C ASN A 66 13.953 1.659 -5.423 1.00 0.57 C ATOM 1020 O ASN A 66 13.998 1.689 -4.193 1.00 0.57 O ATOM 1021 CB ASN A 66 12.879 -0.542 -5.149 1.00 0.82 C ATOM 1022 CG ASN A 66 11.828 -1.541 -5.607 1.00 0.81 C ATOM 1023 OD1 ASN A 66 11.980 -2.745 -5.402 1.00 1.51 O ATOM 1024 ND2 ASN A 66 10.745 -1.055 -6.207 1.00 1.10 N ATOM 0 H ASN A 66 14.267 -0.750 -7.236 1.00 0.72 H new ATOM 0 HA ASN A 66 12.163 1.044 -6.433 1.00 0.68 H new ATOM 0 HB2 ASN A 66 13.820 -1.068 -4.989 1.00 0.82 H new ATOM 0 HB3 ASN A 66 12.578 -0.128 -4.187 1.00 0.82 H new ATOM 0 HD21 ASN A 66 10.005 -1.687 -6.514 1.00 1.10 H new ATOM 0 HD22 ASN A 66 10.654 -0.051 -6.360 1.00 1.10 H new ATOM 1031 N GLN A 67 14.603 2.537 -6.171 1.00 0.62 N ATOM 1032 CA GLN A 67 15.422 3.560 -5.559 1.00 0.68 C ATOM 1033 C GLN A 67 14.546 4.401 -4.672 1.00 0.61 C ATOM 1034 O GLN A 67 14.664 4.417 -3.452 1.00 0.66 O ATOM 1035 CB GLN A 67 16.041 4.456 -6.636 1.00 0.88 C ATOM 1036 CG GLN A 67 16.674 5.708 -6.087 1.00 0.74 C ATOM 1037 CD GLN A 67 15.777 6.919 -6.119 1.00 1.15 C ATOM 1038 OE1 GLN A 67 15.702 7.623 -7.125 1.00 1.97 O ATOM 1039 NE2 GLN A 67 15.113 7.189 -4.990 1.00 1.36 N ATOM 0 H GLN A 67 14.578 2.559 -7.190 1.00 0.62 H new ATOM 0 HA GLN A 67 16.221 3.091 -4.984 1.00 0.68 H new ATOM 0 HB2 GLN A 67 16.794 3.887 -7.182 1.00 0.88 H new ATOM 0 HB3 GLN A 67 15.269 4.734 -7.354 1.00 0.88 H new ATOM 0 HG2 GLN A 67 16.982 5.525 -5.058 1.00 0.74 H new ATOM 0 HG3 GLN A 67 17.578 5.924 -6.656 1.00 0.74 H new ATOM 0 HE21 GLN A 67 15.209 6.573 -4.182 1.00 1.36 H new ATOM 0 HE22 GLN A 67 14.511 8.010 -4.937 1.00 1.36 H new ATOM 1048 N ASP A 68 13.645 5.070 -5.345 1.00 0.59 N ATOM 1049 CA ASP A 68 12.689 5.973 -4.724 1.00 0.62 C ATOM 1050 C ASP A 68 11.532 5.235 -4.072 1.00 0.59 C ATOM 1051 O ASP A 68 10.592 5.883 -3.631 1.00 0.66 O ATOM 1052 CB ASP A 68 12.098 6.930 -5.771 1.00 0.74 C ATOM 1053 CG ASP A 68 13.064 7.363 -6.850 1.00 1.00 C ATOM 1054 OD1 ASP A 68 13.409 6.526 -7.712 1.00 1.51 O ATOM 1055 OD2 ASP A 68 13.482 8.540 -6.832 1.00 1.62 O ATOM 0 H ASP A 68 13.547 5.007 -6.358 1.00 0.59 H new ATOM 0 HA ASP A 68 13.240 6.519 -3.958 1.00 0.62 H new ATOM 0 HB2 ASP A 68 11.242 6.447 -6.242 1.00 0.74 H new ATOM 0 HB3 ASP A 68 11.723 7.817 -5.261 1.00 0.74 H new ATOM 1060 N SER A 69 11.614 3.904 -3.934 1.00 0.56 N ATOM 1061 CA SER A 69 10.499 3.135 -3.381 1.00 0.59 C ATOM 1062 C SER A 69 9.963 3.806 -2.140 1.00 0.63 C ATOM 1063 O SER A 69 8.775 3.739 -1.838 1.00 0.75 O ATOM 1064 CB SER A 69 10.916 1.700 -3.078 1.00 0.68 C ATOM 1065 OG SER A 69 10.653 0.857 -4.186 1.00 1.75 O ATOM 0 H SER A 69 12.429 3.348 -4.194 1.00 0.56 H new ATOM 0 HA SER A 69 9.707 3.101 -4.129 1.00 0.59 H new ATOM 0 HB2 SER A 69 11.978 1.668 -2.835 1.00 0.68 H new ATOM 0 HB3 SER A 69 10.378 1.337 -2.203 1.00 0.68 H new ATOM 0 HG SER A 69 10.549 1.402 -4.994 1.00 1.75 H new ATOM 1071 N GLU A 70 10.852 4.478 -1.438 1.00 0.64 N ATOM 1072 CA GLU A 70 10.448 5.215 -0.258 1.00 0.76 C ATOM 1073 C GLU A 70 10.643 6.684 -0.501 1.00 0.78 C ATOM 1074 O GLU A 70 11.426 7.092 -1.360 1.00 0.81 O ATOM 1075 CB GLU A 70 11.231 4.829 0.988 1.00 0.85 C ATOM 1076 CG GLU A 70 11.307 5.957 2.023 1.00 1.33 C ATOM 1077 CD GLU A 70 11.959 5.597 3.315 1.00 2.19 C ATOM 1078 OE1 GLU A 70 12.775 4.657 3.340 1.00 2.88 O ATOM 1079 OE2 GLU A 70 11.666 6.295 4.308 1.00 2.72 O ATOM 0 H GLU A 70 11.846 4.530 -1.660 1.00 0.64 H new ATOM 0 HA GLU A 70 9.401 4.970 -0.080 1.00 0.76 H new ATOM 0 HB2 GLU A 70 10.767 3.955 1.445 1.00 0.85 H new ATOM 0 HB3 GLU A 70 12.242 4.540 0.700 1.00 0.85 H new ATOM 0 HG2 GLU A 70 11.848 6.795 1.583 1.00 1.33 H new ATOM 0 HG3 GLU A 70 10.295 6.305 2.231 1.00 1.33 H new ATOM 1086 N LEU A 71 9.925 7.479 0.258 1.00 0.79 N ATOM 1087 CA LEU A 71 10.058 8.869 0.140 1.00 0.83 C ATOM 1088 C LEU A 71 9.915 9.642 1.456 1.00 0.81 C ATOM 1089 O LEU A 71 9.172 9.262 2.350 1.00 0.86 O ATOM 1090 CB LEU A 71 9.025 9.285 -0.857 1.00 0.99 C ATOM 1091 CG LEU A 71 8.867 10.744 -1.044 1.00 0.79 C ATOM 1092 CD1 LEU A 71 8.097 11.421 0.083 1.00 1.89 C ATOM 1093 CD2 LEU A 71 10.215 11.340 -1.326 1.00 1.26 C ATOM 0 H LEU A 71 9.250 7.165 0.956 1.00 0.79 H new ATOM 0 HA LEU A 71 11.072 9.110 -0.178 1.00 0.83 H new ATOM 0 HB2 LEU A 71 9.275 8.839 -1.820 1.00 0.99 H new ATOM 0 HB3 LEU A 71 8.064 8.870 -0.553 1.00 0.99 H new ATOM 0 HG LEU A 71 8.230 10.929 -1.909 1.00 0.79 H new ATOM 0 HD11 LEU A 71 8.019 12.489 -0.120 1.00 1.89 H new ATOM 0 HD12 LEU A 71 7.098 10.991 0.151 1.00 1.89 H new ATOM 0 HD13 LEU A 71 8.622 11.268 1.026 1.00 1.89 H new ATOM 0 HD21 LEU A 71 10.115 12.416 -1.466 1.00 1.26 H new ATOM 0 HD22 LEU A 71 10.882 11.144 -0.487 1.00 1.26 H new ATOM 0 HD23 LEU A 71 10.628 10.893 -2.230 1.00 1.26 H new ATOM 1105 N ARG A 72 10.721 10.684 1.576 1.00 0.77 N ATOM 1106 CA ARG A 72 10.656 11.635 2.675 1.00 0.79 C ATOM 1107 C ARG A 72 10.242 12.998 2.085 1.00 0.68 C ATOM 1108 O ARG A 72 9.627 13.824 2.758 1.00 0.75 O ATOM 1109 CB ARG A 72 12.005 11.757 3.385 1.00 0.91 C ATOM 1110 CG ARG A 72 12.813 10.476 3.406 1.00 1.00 C ATOM 1111 CD ARG A 72 11.994 9.295 3.884 1.00 1.06 C ATOM 1112 NE ARG A 72 10.982 9.679 4.868 1.00 1.30 N ATOM 1113 CZ ARG A 72 9.896 8.959 5.127 1.00 1.18 C ATOM 1114 NH1 ARG A 72 9.679 7.826 4.475 1.00 1.56 N ATOM 1115 NH2 ARG A 72 9.026 9.373 6.038 1.00 1.42 N ATOM 0 H ARG A 72 11.454 10.897 0.899 1.00 0.77 H new ATOM 0 HA ARG A 72 9.933 11.294 3.416 1.00 0.79 H new ATOM 0 HB2 ARG A 72 12.591 12.535 2.896 1.00 0.91 H new ATOM 0 HB3 ARG A 72 11.835 12.083 4.411 1.00 0.91 H new ATOM 0 HG2 ARG A 72 13.194 10.271 2.405 1.00 1.00 H new ATOM 0 HG3 ARG A 72 13.678 10.604 4.057 1.00 1.00 H new ATOM 0 HD2 ARG A 72 11.506 8.825 3.030 1.00 1.06 H new ATOM 0 HD3 ARG A 72 12.658 8.549 4.322 1.00 1.06 H new ATOM 0 HE ARG A 72 11.118 10.548 5.384 1.00 1.30 H new ATOM 0 HH11 ARG A 72 10.346 7.506 3.773 1.00 1.56 H new ATOM 0 HH12 ARG A 72 8.845 7.274 4.675 1.00 1.56 H new ATOM 0 HH21 ARG A 72 9.190 10.245 6.541 1.00 1.42 H new ATOM 0 HH22 ARG A 72 8.193 8.819 6.236 1.00 1.42 H new ATOM 1129 N PHE A 73 10.601 13.207 0.797 1.00 0.60 N ATOM 1130 CA PHE A 73 10.253 14.424 0.049 1.00 0.57 C ATOM 1131 C PHE A 73 8.971 14.248 -0.849 1.00 0.51 C ATOM 1132 O PHE A 73 7.892 14.126 -0.301 1.00 0.63 O ATOM 1133 CB PHE A 73 11.508 14.971 -0.697 1.00 0.64 C ATOM 1134 CG PHE A 73 11.997 14.264 -1.952 1.00 0.58 C ATOM 1135 CD1 PHE A 73 12.409 12.939 -1.940 1.00 1.36 C ATOM 1136 CD2 PHE A 73 12.055 14.951 -3.156 1.00 1.24 C ATOM 1137 CE1 PHE A 73 12.848 12.312 -3.076 1.00 1.44 C ATOM 1138 CE2 PHE A 73 12.504 14.329 -4.306 1.00 1.31 C ATOM 1139 CZ PHE A 73 12.899 13.005 -4.268 1.00 0.86 C ATOM 0 H PHE A 73 11.140 12.533 0.253 1.00 0.60 H new ATOM 0 HA PHE A 73 9.954 15.197 0.758 1.00 0.57 H new ATOM 0 HB2 PHE A 73 11.304 16.008 -0.964 1.00 0.64 H new ATOM 0 HB3 PHE A 73 12.333 14.982 0.015 1.00 0.64 H new ATOM 0 HD1 PHE A 73 12.383 12.388 -1.011 1.00 1.36 H new ATOM 0 HD2 PHE A 73 11.745 15.985 -3.195 1.00 1.24 H new ATOM 0 HE1 PHE A 73 13.154 11.277 -3.039 1.00 1.44 H new ATOM 0 HE2 PHE A 73 12.546 14.878 -5.235 1.00 1.31 H new ATOM 0 HZ PHE A 73 13.246 12.516 -5.166 1.00 0.86 H new ATOM 1149 N SER A 74 9.055 14.138 -2.194 1.00 0.48 N ATOM 1150 CA SER A 74 7.826 14.047 -3.024 1.00 0.46 C ATOM 1151 C SER A 74 7.647 12.725 -3.732 1.00 0.42 C ATOM 1152 O SER A 74 6.574 12.443 -4.265 1.00 0.47 O ATOM 1153 CB SER A 74 7.783 15.155 -4.070 1.00 0.60 C ATOM 1154 OG SER A 74 9.086 15.489 -4.516 1.00 1.01 O ATOM 0 H SER A 74 9.930 14.110 -2.718 1.00 0.48 H new ATOM 0 HA SER A 74 7.010 14.152 -2.309 1.00 0.46 H new ATOM 0 HB2 SER A 74 7.176 14.836 -4.917 1.00 0.60 H new ATOM 0 HB3 SER A 74 7.302 16.038 -3.649 1.00 0.60 H new ATOM 0 HG SER A 74 9.030 16.201 -5.187 1.00 1.01 H new ATOM 1160 N GLU A 75 8.667 11.922 -3.740 1.00 0.43 N ATOM 1161 CA GLU A 75 8.592 10.605 -4.379 1.00 0.42 C ATOM 1162 C GLU A 75 7.632 9.609 -3.672 1.00 0.42 C ATOM 1163 O GLU A 75 7.735 8.403 -3.896 1.00 0.55 O ATOM 1164 CB GLU A 75 9.991 9.994 -4.439 1.00 0.44 C ATOM 1165 CG GLU A 75 11.022 10.889 -5.105 1.00 0.60 C ATOM 1166 CD GLU A 75 11.005 10.785 -6.617 1.00 0.93 C ATOM 1167 OE1 GLU A 75 11.117 9.653 -7.135 1.00 1.42 O ATOM 1168 OE2 GLU A 75 10.885 11.835 -7.282 1.00 1.60 O ATOM 0 H GLU A 75 9.569 12.138 -3.316 1.00 0.43 H new ATOM 0 HA GLU A 75 8.184 10.772 -5.376 1.00 0.42 H new ATOM 0 HB2 GLU A 75 10.322 9.766 -3.426 1.00 0.44 H new ATOM 0 HB3 GLU A 75 9.942 9.048 -4.979 1.00 0.44 H new ATOM 0 HG2 GLU A 75 10.839 11.924 -4.815 1.00 0.60 H new ATOM 0 HG3 GLU A 75 12.014 10.626 -4.739 1.00 0.60 H new ATOM 1175 N TYR A 76 6.700 10.098 -2.830 1.00 0.38 N ATOM 1176 CA TYR A 76 5.789 9.221 -2.115 1.00 0.38 C ATOM 1177 C TYR A 76 4.996 8.405 -3.088 1.00 0.39 C ATOM 1178 O TYR A 76 4.543 7.317 -2.780 1.00 0.43 O ATOM 1179 CB TYR A 76 4.873 10.004 -1.154 1.00 0.40 C ATOM 1180 CG TYR A 76 5.382 10.036 0.267 1.00 0.41 C ATOM 1181 CD1 TYR A 76 6.126 8.989 0.778 1.00 1.22 C ATOM 1182 CD2 TYR A 76 5.155 11.133 1.082 1.00 1.29 C ATOM 1183 CE1 TYR A 76 6.626 9.017 2.039 1.00 1.25 C ATOM 1184 CE2 TYR A 76 5.664 11.175 2.365 1.00 1.30 C ATOM 1185 CZ TYR A 76 6.403 10.113 2.841 1.00 0.49 C ATOM 1186 OH TYR A 76 6.912 10.146 4.119 1.00 0.55 O ATOM 0 H TYR A 76 6.569 11.091 -2.638 1.00 0.38 H new ATOM 0 HA TYR A 76 6.381 8.546 -1.497 1.00 0.38 H new ATOM 0 HB2 TYR A 76 4.767 11.026 -1.517 1.00 0.40 H new ATOM 0 HB3 TYR A 76 3.879 9.557 -1.166 1.00 0.40 H new ATOM 0 HD1 TYR A 76 6.314 8.126 0.157 1.00 1.22 H new ATOM 0 HD2 TYR A 76 4.574 11.964 0.710 1.00 1.29 H new ATOM 0 HE1 TYR A 76 7.198 8.181 2.413 1.00 1.25 H new ATOM 0 HE2 TYR A 76 5.484 12.035 2.992 1.00 1.30 H new ATOM 0 HH TYR A 76 6.664 10.991 4.548 1.00 0.55 H new ATOM 1196 N TRP A 77 4.879 8.903 -4.296 1.00 0.39 N ATOM 1197 CA TRP A 77 4.188 8.150 -5.320 1.00 0.43 C ATOM 1198 C TRP A 77 4.893 6.803 -5.511 1.00 0.45 C ATOM 1199 O TRP A 77 4.367 5.915 -6.175 1.00 0.49 O ATOM 1200 CB TRP A 77 4.181 8.909 -6.642 1.00 0.44 C ATOM 1201 CG TRP A 77 5.555 9.084 -7.190 1.00 0.44 C ATOM 1202 CD1 TRP A 77 6.372 8.100 -7.659 1.00 0.49 C ATOM 1203 CD2 TRP A 77 6.284 10.304 -7.306 1.00 0.45 C ATOM 1204 NE1 TRP A 77 7.566 8.634 -8.057 1.00 0.52 N ATOM 1205 CE2 TRP A 77 7.536 9.990 -7.856 1.00 0.50 C ATOM 1206 CE3 TRP A 77 5.996 11.632 -6.998 1.00 0.46 C ATOM 1207 CZ2 TRP A 77 8.502 10.960 -8.106 1.00 0.55 C ATOM 1208 CZ3 TRP A 77 6.950 12.594 -7.244 1.00 0.51 C ATOM 1209 CH2 TRP A 77 8.192 12.257 -7.793 1.00 0.55 C ATOM 0 H TRP A 77 5.245 9.808 -4.592 1.00 0.39 H new ATOM 0 HA TRP A 77 3.156 7.996 -5.006 1.00 0.43 H new ATOM 0 HB2 TRP A 77 3.567 8.372 -7.365 1.00 0.44 H new ATOM 0 HB3 TRP A 77 3.721 9.886 -6.497 1.00 0.44 H new ATOM 0 HD1 TRP A 77 6.114 7.052 -7.709 1.00 0.49 H new ATOM 0 HE1 TRP A 77 8.352 8.109 -8.441 1.00 0.52 H new ATOM 0 HE3 TRP A 77 5.040 11.902 -6.573 1.00 0.46 H new ATOM 0 HZ2 TRP A 77 9.460 10.700 -8.531 1.00 0.55 H new ATOM 0 HZ3 TRP A 77 6.736 13.626 -7.009 1.00 0.51 H new ATOM 0 HH2 TRP A 77 8.920 13.034 -7.973 1.00 0.55 H new ATOM 1220 N ARG A 78 6.107 6.662 -4.945 1.00 0.43 N ATOM 1221 CA ARG A 78 6.852 5.437 -5.065 1.00 0.47 C ATOM 1222 C ARG A 78 6.335 4.395 -4.086 1.00 0.49 C ATOM 1223 O ARG A 78 6.222 3.224 -4.442 1.00 0.61 O ATOM 1224 CB ARG A 78 8.318 5.743 -4.853 1.00 0.50 C ATOM 1225 CG ARG A 78 8.839 6.745 -5.856 1.00 0.60 C ATOM 1226 CD ARG A 78 9.091 6.099 -7.211 1.00 0.77 C ATOM 1227 NE ARG A 78 9.892 4.881 -7.105 1.00 1.48 N ATOM 1228 CZ ARG A 78 10.079 4.033 -8.109 1.00 1.75 C ATOM 1229 NH1 ARG A 78 9.516 4.266 -9.287 1.00 1.37 N ATOM 1230 NH2 ARG A 78 10.829 2.952 -7.939 1.00 2.82 N ATOM 0 H ARG A 78 6.574 7.391 -4.406 1.00 0.43 H new ATOM 0 HA ARG A 78 6.724 5.014 -6.061 1.00 0.47 H new ATOM 0 HB2 ARG A 78 8.465 6.130 -3.845 1.00 0.50 H new ATOM 0 HB3 ARG A 78 8.895 4.821 -4.928 1.00 0.50 H new ATOM 0 HG2 ARG A 78 8.121 7.557 -5.967 1.00 0.60 H new ATOM 0 HG3 ARG A 78 9.764 7.186 -5.484 1.00 0.60 H new ATOM 0 HD2 ARG A 78 8.137 5.864 -7.682 1.00 0.77 H new ATOM 0 HD3 ARG A 78 9.600 6.811 -7.861 1.00 0.77 H new ATOM 0 HE ARG A 78 10.332 4.671 -6.209 1.00 1.48 H new ATOM 0 HH11 ARG A 78 8.939 5.097 -9.421 1.00 1.37 H new ATOM 0 HH12 ARG A 78 9.660 3.615 -10.059 1.00 1.37 H new ATOM 0 HH21 ARG A 78 11.264 2.770 -7.035 1.00 2.82 H new ATOM 0 HH22 ARG A 78 10.970 2.303 -8.713 1.00 2.82 H new ATOM 1244 N LEU A 79 6.003 4.806 -2.850 1.00 0.43 N ATOM 1245 CA LEU A 79 5.446 3.855 -1.898 1.00 0.46 C ATOM 1246 C LEU A 79 4.217 3.209 -2.512 1.00 0.47 C ATOM 1247 O LEU A 79 3.792 2.131 -2.099 1.00 0.53 O ATOM 1248 CB LEU A 79 5.028 4.496 -0.571 1.00 0.55 C ATOM 1249 CG LEU A 79 5.655 5.833 -0.220 1.00 0.63 C ATOM 1250 CD1 LEU A 79 5.168 6.273 1.152 1.00 1.24 C ATOM 1251 CD2 LEU A 79 7.165 5.737 -0.248 1.00 0.89 C ATOM 0 H LEU A 79 6.109 5.759 -2.503 1.00 0.43 H new ATOM 0 HA LEU A 79 6.231 3.130 -1.683 1.00 0.46 H new ATOM 0 HB2 LEU A 79 3.945 4.623 -0.583 1.00 0.55 H new ATOM 0 HB3 LEU A 79 5.258 3.794 0.231 1.00 0.55 H new ATOM 0 HG LEU A 79 5.355 6.575 -0.960 1.00 0.63 H new ATOM 0 HD11 LEU A 79 5.617 7.233 1.407 1.00 1.24 H new ATOM 0 HD12 LEU A 79 4.083 6.372 1.138 1.00 1.24 H new ATOM 0 HD13 LEU A 79 5.455 5.530 1.896 1.00 1.24 H new ATOM 0 HD21 LEU A 79 7.596 6.705 0.006 1.00 0.89 H new ATOM 0 HD22 LEU A 79 7.496 4.992 0.475 1.00 0.89 H new ATOM 0 HD23 LEU A 79 7.493 5.445 -1.246 1.00 0.89 H new ATOM 1263 N ILE A 80 3.646 3.884 -3.508 1.00 0.46 N ATOM 1264 CA ILE A 80 2.469 3.404 -4.179 1.00 0.49 C ATOM 1265 C ILE A 80 2.593 1.919 -4.539 1.00 0.49 C ATOM 1266 O ILE A 80 1.748 1.110 -4.158 1.00 0.51 O ATOM 1267 CB ILE A 80 2.143 4.303 -5.408 1.00 0.53 C ATOM 1268 CG1 ILE A 80 0.632 4.416 -5.610 1.00 0.60 C ATOM 1269 CG2 ILE A 80 2.806 3.806 -6.677 1.00 0.57 C ATOM 1270 CD1 ILE A 80 0.241 5.336 -6.749 1.00 1.16 C ATOM 0 H ILE A 80 3.995 4.775 -3.862 1.00 0.46 H new ATOM 0 HA ILE A 80 1.623 3.474 -3.496 1.00 0.49 H new ATOM 0 HB ILE A 80 2.549 5.291 -5.194 1.00 0.53 H new ATOM 0 HG12 ILE A 80 0.224 3.423 -5.799 1.00 0.60 H new ATOM 0 HG13 ILE A 80 0.176 4.778 -4.688 1.00 0.60 H new ATOM 0 HG21 ILE A 80 2.548 4.466 -7.505 1.00 0.57 H new ATOM 0 HG22 ILE A 80 3.888 3.798 -6.543 1.00 0.57 H new ATOM 0 HG23 ILE A 80 2.460 2.796 -6.897 1.00 0.57 H new ATOM 0 HD11 ILE A 80 -0.845 5.368 -6.834 1.00 1.16 H new ATOM 0 HD12 ILE A 80 0.619 6.339 -6.553 1.00 1.16 H new ATOM 0 HD13 ILE A 80 0.667 4.963 -7.680 1.00 1.16 H new ATOM 1282 N GLY A 81 3.641 1.569 -5.274 1.00 0.48 N ATOM 1283 CA GLY A 81 3.865 0.180 -5.626 1.00 0.49 C ATOM 1284 C GLY A 81 4.563 -0.582 -4.514 1.00 0.43 C ATOM 1285 O GLY A 81 4.797 -1.785 -4.630 1.00 0.43 O ATOM 0 H GLY A 81 4.339 2.221 -5.632 1.00 0.48 H new ATOM 0 HA2 GLY A 81 2.910 -0.296 -5.848 1.00 0.49 H new ATOM 0 HA3 GLY A 81 4.466 0.128 -6.534 1.00 0.49 H new ATOM 1289 N GLU A 82 4.894 0.121 -3.432 1.00 0.41 N ATOM 1290 CA GLU A 82 5.597 -0.490 -2.307 1.00 0.39 C ATOM 1291 C GLU A 82 4.645 -1.213 -1.382 1.00 0.33 C ATOM 1292 O GLU A 82 4.776 -2.415 -1.149 1.00 0.34 O ATOM 1293 CB GLU A 82 6.358 0.554 -1.520 1.00 0.43 C ATOM 1294 CG GLU A 82 7.511 1.179 -2.291 1.00 0.46 C ATOM 1295 CD GLU A 82 8.343 0.152 -3.034 1.00 0.71 C ATOM 1296 OE1 GLU A 82 9.202 -0.493 -2.395 1.00 1.47 O ATOM 1297 OE2 GLU A 82 8.134 -0.010 -4.255 1.00 1.39 O ATOM 0 H GLU A 82 4.687 1.112 -3.311 1.00 0.41 H new ATOM 0 HA GLU A 82 6.297 -1.215 -2.723 1.00 0.39 H new ATOM 0 HB2 GLU A 82 5.668 1.340 -1.214 1.00 0.43 H new ATOM 0 HB3 GLU A 82 6.746 0.098 -0.609 1.00 0.43 H new ATOM 0 HG2 GLU A 82 7.116 1.904 -3.003 1.00 0.46 H new ATOM 0 HG3 GLU A 82 8.151 1.727 -1.599 1.00 0.46 H new ATOM 1304 N LEU A 83 3.678 -0.469 -0.847 1.00 0.34 N ATOM 1305 CA LEU A 83 2.681 -1.054 0.040 1.00 0.35 C ATOM 1306 C LEU A 83 2.014 -2.231 -0.655 1.00 0.35 C ATOM 1307 O LEU A 83 1.276 -2.990 -0.039 1.00 0.43 O ATOM 1308 CB LEU A 83 1.638 -0.012 0.458 1.00 0.43 C ATOM 1309 CG LEU A 83 2.137 1.077 1.415 1.00 0.50 C ATOM 1310 CD1 LEU A 83 3.102 2.022 0.714 1.00 1.26 C ATOM 1311 CD2 LEU A 83 0.962 1.853 1.994 1.00 1.31 C ATOM 0 H LEU A 83 3.566 0.531 -1.012 1.00 0.34 H new ATOM 0 HA LEU A 83 3.177 -1.405 0.945 1.00 0.35 H new ATOM 0 HB2 LEU A 83 1.250 0.469 -0.440 1.00 0.43 H new ATOM 0 HB3 LEU A 83 0.802 -0.529 0.929 1.00 0.43 H new ATOM 0 HG LEU A 83 2.673 0.591 2.230 1.00 0.50 H new ATOM 0 HD11 LEU A 83 3.440 2.784 1.416 1.00 1.26 H new ATOM 0 HD12 LEU A 83 3.961 1.459 0.348 1.00 1.26 H new ATOM 0 HD13 LEU A 83 2.597 2.500 -0.125 1.00 1.26 H new ATOM 0 HD21 LEU A 83 1.332 2.622 2.671 1.00 1.31 H new ATOM 0 HD22 LEU A 83 0.401 2.321 1.185 1.00 1.31 H new ATOM 0 HD23 LEU A 83 0.310 1.172 2.541 1.00 1.31 H new ATOM 1323 N ALA A 84 2.206 -2.332 -1.963 1.00 0.34 N ATOM 1324 CA ALA A 84 1.698 -3.461 -2.695 1.00 0.37 C ATOM 1325 C ALA A 84 2.624 -4.669 -2.539 1.00 0.41 C ATOM 1326 O ALA A 84 2.154 -5.790 -2.467 1.00 0.48 O ATOM 1327 CB ALA A 84 1.530 -3.108 -4.157 1.00 0.42 C ATOM 0 H ALA A 84 2.708 -1.646 -2.527 1.00 0.34 H new ATOM 0 HA ALA A 84 0.722 -3.724 -2.286 1.00 0.37 H new ATOM 0 HB1 ALA A 84 1.145 -3.972 -4.698 1.00 0.42 H new ATOM 0 HB2 ALA A 84 0.830 -2.278 -4.253 1.00 0.42 H new ATOM 0 HB3 ALA A 84 2.494 -2.819 -4.575 1.00 0.42 H new ATOM 1333 N LYS A 85 3.947 -4.444 -2.486 1.00 0.42 N ATOM 1334 CA LYS A 85 4.910 -5.553 -2.326 1.00 0.51 C ATOM 1335 C LYS A 85 4.420 -6.539 -1.283 1.00 0.50 C ATOM 1336 O LYS A 85 4.633 -7.746 -1.386 1.00 0.67 O ATOM 1337 CB LYS A 85 6.289 -5.025 -1.928 1.00 0.62 C ATOM 1338 CG LYS A 85 6.941 -4.163 -2.996 1.00 1.18 C ATOM 1339 CD LYS A 85 7.762 -3.042 -2.381 1.00 1.42 C ATOM 1340 CE LYS A 85 9.035 -3.556 -1.729 1.00 1.55 C ATOM 1341 NZ LYS A 85 9.627 -2.548 -0.807 1.00 2.69 N ATOM 0 H LYS A 85 4.373 -3.519 -2.550 1.00 0.42 H new ATOM 0 HA LYS A 85 4.994 -6.063 -3.286 1.00 0.51 H new ATOM 0 HB2 LYS A 85 6.196 -4.444 -1.011 1.00 0.62 H new ATOM 0 HB3 LYS A 85 6.942 -5.869 -1.705 1.00 0.62 H new ATOM 0 HG2 LYS A 85 7.581 -4.782 -3.624 1.00 1.18 H new ATOM 0 HG3 LYS A 85 6.173 -3.740 -3.643 1.00 1.18 H new ATOM 0 HD2 LYS A 85 8.018 -2.316 -3.152 1.00 1.42 H new ATOM 0 HD3 LYS A 85 7.161 -2.519 -1.638 1.00 1.42 H new ATOM 0 HE2 LYS A 85 8.818 -4.471 -1.177 1.00 1.55 H new ATOM 0 HE3 LYS A 85 9.760 -3.814 -2.500 1.00 1.55 H new ATOM 0 HZ1 LYS A 85 10.661 -2.656 -0.792 1.00 2.69 H new ATOM 0 HZ2 LYS A 85 9.383 -1.592 -1.135 1.00 2.69 H new ATOM 0 HZ3 LYS A 85 9.250 -2.691 0.152 1.00 2.69 H new ATOM 1355 N GLU A 86 3.765 -5.997 -0.278 1.00 0.45 N ATOM 1356 CA GLU A 86 3.210 -6.793 0.796 1.00 0.45 C ATOM 1357 C GLU A 86 1.875 -7.402 0.388 1.00 0.44 C ATOM 1358 O GLU A 86 1.572 -8.547 0.721 1.00 0.46 O ATOM 1359 CB GLU A 86 3.002 -5.924 2.028 1.00 0.48 C ATOM 1360 CG GLU A 86 2.163 -4.701 1.745 1.00 0.98 C ATOM 1361 CD GLU A 86 1.828 -3.897 2.983 1.00 2.08 C ATOM 1362 OE1 GLU A 86 1.048 -4.390 3.818 1.00 2.91 O ATOM 1363 OE2 GLU A 86 2.341 -2.767 3.112 1.00 2.61 O ATOM 0 H GLU A 86 3.603 -4.995 -0.183 1.00 0.45 H new ATOM 0 HA GLU A 86 3.912 -7.597 1.019 1.00 0.45 H new ATOM 0 HB2 GLU A 86 2.523 -6.516 2.808 1.00 0.48 H new ATOM 0 HB3 GLU A 86 3.972 -5.612 2.415 1.00 0.48 H new ATOM 0 HG2 GLU A 86 2.694 -4.062 1.039 1.00 0.98 H new ATOM 0 HG3 GLU A 86 1.237 -5.010 1.261 1.00 0.98 H new ATOM 1370 N VAL A 87 1.086 -6.625 -0.342 1.00 0.44 N ATOM 1371 CA VAL A 87 -0.236 -7.057 -0.772 1.00 0.46 C ATOM 1372 C VAL A 87 -0.190 -7.986 -1.989 1.00 0.47 C ATOM 1373 O VAL A 87 -1.081 -8.815 -2.176 1.00 0.54 O ATOM 1374 CB VAL A 87 -1.138 -5.841 -1.084 1.00 0.54 C ATOM 1375 CG1 VAL A 87 -2.497 -6.293 -1.581 1.00 1.00 C ATOM 1376 CG2 VAL A 87 -1.286 -4.959 0.148 1.00 0.81 C ATOM 0 H VAL A 87 1.341 -5.687 -0.650 1.00 0.44 H new ATOM 0 HA VAL A 87 -0.657 -7.623 0.059 1.00 0.46 H new ATOM 0 HB VAL A 87 -0.664 -5.257 -1.873 1.00 0.54 H new ATOM 0 HG11 VAL A 87 -3.115 -5.421 -1.794 1.00 1.00 H new ATOM 0 HG12 VAL A 87 -2.375 -6.882 -2.490 1.00 1.00 H new ATOM 0 HG13 VAL A 87 -2.980 -6.902 -0.817 1.00 1.00 H new ATOM 0 HG21 VAL A 87 -1.924 -4.107 -0.089 1.00 0.81 H new ATOM 0 HG22 VAL A 87 -1.736 -5.536 0.956 1.00 0.81 H new ATOM 0 HG23 VAL A 87 -0.305 -4.602 0.460 1.00 0.81 H new ATOM 1386 N ARG A 88 0.840 -7.854 -2.806 1.00 0.50 N ATOM 1387 CA ARG A 88 0.967 -8.664 -4.007 1.00 0.52 C ATOM 1388 C ARG A 88 0.913 -10.145 -3.676 1.00 0.50 C ATOM 1389 O ARG A 88 -0.062 -10.822 -3.998 1.00 0.59 O ATOM 1390 CB ARG A 88 2.266 -8.328 -4.738 1.00 0.56 C ATOM 1391 CG ARG A 88 2.208 -8.598 -6.229 1.00 0.67 C ATOM 1392 CD ARG A 88 3.516 -8.231 -6.912 1.00 1.33 C ATOM 1393 NE ARG A 88 3.477 -8.491 -8.348 1.00 1.83 N ATOM 1394 CZ ARG A 88 4.526 -8.345 -9.152 1.00 2.72 C ATOM 1395 NH1 ARG A 88 5.691 -7.947 -8.658 1.00 3.25 N ATOM 1396 NH2 ARG A 88 4.411 -8.599 -10.448 1.00 3.50 N ATOM 0 H ARG A 88 1.603 -7.192 -2.660 1.00 0.50 H new ATOM 0 HA ARG A 88 0.126 -8.435 -4.661 1.00 0.52 H new ATOM 0 HB2 ARG A 88 2.503 -7.277 -4.576 1.00 0.56 H new ATOM 0 HB3 ARG A 88 3.079 -8.909 -4.303 1.00 0.56 H new ATOM 0 HG2 ARG A 88 1.990 -9.652 -6.401 1.00 0.67 H new ATOM 0 HG3 ARG A 88 1.392 -8.027 -6.672 1.00 0.67 H new ATOM 0 HD2 ARG A 88 3.731 -7.176 -6.741 1.00 1.33 H new ATOM 0 HD3 ARG A 88 4.331 -8.799 -6.463 1.00 1.33 H new ATOM 0 HE ARG A 88 2.596 -8.802 -8.757 1.00 1.83 H new ATOM 0 HH11 ARG A 88 5.783 -7.753 -7.661 1.00 3.25 H new ATOM 0 HH12 ARG A 88 6.495 -7.835 -9.275 1.00 3.25 H new ATOM 0 HH21 ARG A 88 3.517 -8.907 -10.830 1.00 3.50 H new ATOM 0 HH22 ARG A 88 5.217 -8.486 -11.063 1.00 3.50 H new ATOM 1410 N LYS A 89 1.955 -10.648 -3.027 1.00 0.47 N ATOM 1411 CA LYS A 89 2.000 -12.055 -2.651 1.00 0.49 C ATOM 1412 C LYS A 89 0.742 -12.400 -1.864 1.00 0.49 C ATOM 1413 O LYS A 89 0.187 -13.493 -1.973 1.00 0.55 O ATOM 1414 CB LYS A 89 3.262 -12.339 -1.826 1.00 0.56 C ATOM 1415 CG LYS A 89 3.103 -12.125 -0.324 1.00 0.70 C ATOM 1416 CD LYS A 89 2.541 -13.363 0.346 1.00 1.55 C ATOM 1417 CE LYS A 89 1.691 -13.015 1.554 1.00 2.44 C ATOM 1418 NZ LYS A 89 0.599 -14.003 1.756 1.00 3.29 N ATOM 0 H LYS A 89 2.775 -10.107 -2.752 1.00 0.47 H new ATOM 0 HA LYS A 89 2.038 -12.677 -3.545 1.00 0.49 H new ATOM 0 HB2 LYS A 89 3.570 -13.370 -2.002 1.00 0.56 H new ATOM 0 HB3 LYS A 89 4.067 -11.699 -2.187 1.00 0.56 H new ATOM 0 HG2 LYS A 89 4.069 -11.876 0.116 1.00 0.70 H new ATOM 0 HG3 LYS A 89 2.442 -11.277 -0.142 1.00 0.70 H new ATOM 0 HD2 LYS A 89 1.941 -13.923 -0.371 1.00 1.55 H new ATOM 0 HD3 LYS A 89 3.360 -14.013 0.653 1.00 1.55 H new ATOM 0 HE2 LYS A 89 2.319 -12.979 2.444 1.00 2.44 H new ATOM 0 HE3 LYS A 89 1.264 -12.021 1.425 1.00 2.44 H new ATOM 0 HZ1 LYS A 89 0.069 -13.763 2.618 1.00 3.29 H new ATOM 0 HZ2 LYS A 89 -0.043 -13.983 0.938 1.00 3.29 H new ATOM 0 HZ3 LYS A 89 1.006 -14.955 1.853 1.00 3.29 H new ATOM 1432 N GLU A 90 0.314 -11.428 -1.071 1.00 0.47 N ATOM 1433 CA GLU A 90 -0.869 -11.557 -0.247 1.00 0.52 C ATOM 1434 C GLU A 90 -2.088 -11.934 -1.095 1.00 0.55 C ATOM 1435 O GLU A 90 -3.042 -12.524 -0.596 1.00 0.62 O ATOM 1436 CB GLU A 90 -1.099 -10.236 0.500 1.00 0.55 C ATOM 1437 CG GLU A 90 -0.423 -10.172 1.860 1.00 0.62 C ATOM 1438 CD GLU A 90 -0.865 -11.281 2.792 1.00 1.26 C ATOM 1439 OE1 GLU A 90 -2.089 -11.453 2.970 1.00 1.95 O ATOM 1440 OE2 GLU A 90 0.012 -11.973 3.350 1.00 1.97 O ATOM 0 H GLU A 90 0.783 -10.526 -0.984 1.00 0.47 H new ATOM 0 HA GLU A 90 -0.723 -12.358 0.477 1.00 0.52 H new ATOM 0 HB2 GLU A 90 -0.734 -9.414 -0.115 1.00 0.55 H new ATOM 0 HB3 GLU A 90 -2.171 -10.085 0.630 1.00 0.55 H new ATOM 0 HG2 GLU A 90 0.657 -10.226 1.726 1.00 0.62 H new ATOM 0 HG3 GLU A 90 -0.639 -9.209 2.322 1.00 0.62 H new ATOM 1447 N LYS A 91 -2.031 -11.617 -2.387 1.00 0.54 N ATOM 1448 CA LYS A 91 -3.128 -11.910 -3.309 1.00 0.61 C ATOM 1449 C LYS A 91 -3.525 -13.386 -3.284 1.00 0.63 C ATOM 1450 O LYS A 91 -4.706 -13.722 -3.190 1.00 0.70 O ATOM 1451 CB LYS A 91 -2.743 -11.495 -4.734 1.00 0.62 C ATOM 1452 CG LYS A 91 -1.834 -12.482 -5.456 1.00 0.61 C ATOM 1453 CD LYS A 91 -1.485 -11.990 -6.852 1.00 0.67 C ATOM 1454 CE LYS A 91 -0.639 -13.000 -7.609 1.00 0.70 C ATOM 1455 NZ LYS A 91 -0.386 -12.569 -9.012 1.00 1.38 N ATOM 0 H LYS A 91 -1.232 -11.155 -2.821 1.00 0.54 H new ATOM 0 HA LYS A 91 -3.992 -11.333 -2.979 1.00 0.61 H new ATOM 0 HB2 LYS A 91 -3.653 -11.364 -5.319 1.00 0.62 H new ATOM 0 HB3 LYS A 91 -2.247 -10.525 -4.695 1.00 0.62 H new ATOM 0 HG2 LYS A 91 -0.920 -12.627 -4.880 1.00 0.61 H new ATOM 0 HG3 LYS A 91 -2.326 -13.452 -5.522 1.00 0.61 H new ATOM 0 HD2 LYS A 91 -2.402 -11.793 -7.408 1.00 0.67 H new ATOM 0 HD3 LYS A 91 -0.947 -11.045 -6.781 1.00 0.67 H new ATOM 0 HE2 LYS A 91 0.312 -13.137 -7.094 1.00 0.70 H new ATOM 0 HE3 LYS A 91 -1.142 -13.967 -7.611 1.00 0.70 H new ATOM 0 HZ1 LYS A 91 0.194 -13.284 -9.496 1.00 1.38 H new ATOM 0 HZ2 LYS A 91 -1.292 -12.463 -9.511 1.00 1.38 H new ATOM 0 HZ3 LYS A 91 0.117 -11.659 -9.010 1.00 1.38 H new ATOM 1469 N ALA A 92 -2.531 -14.256 -3.371 1.00 0.61 N ATOM 1470 CA ALA A 92 -2.771 -15.698 -3.402 1.00 0.66 C ATOM 1471 C ALA A 92 -2.987 -16.316 -2.025 1.00 0.64 C ATOM 1472 O ALA A 92 -3.759 -17.262 -1.890 1.00 0.70 O ATOM 1473 CB ALA A 92 -1.624 -16.398 -4.116 1.00 0.75 C ATOM 0 H ALA A 92 -1.547 -13.992 -3.422 1.00 0.61 H new ATOM 0 HA ALA A 92 -3.703 -15.843 -3.948 1.00 0.66 H new ATOM 0 HB1 ALA A 92 -1.809 -17.472 -4.136 1.00 0.75 H new ATOM 0 HB2 ALA A 92 -1.549 -16.024 -5.137 1.00 0.75 H new ATOM 0 HB3 ALA A 92 -0.691 -16.200 -3.587 1.00 0.75 H new ATOM 1479 N LEU A 93 -2.311 -15.806 -1.006 1.00 0.62 N ATOM 1480 CA LEU A 93 -2.457 -16.382 0.333 1.00 0.66 C ATOM 1481 C LEU A 93 -3.707 -15.895 1.051 1.00 0.59 C ATOM 1482 O LEU A 93 -4.180 -16.553 1.979 1.00 0.64 O ATOM 1483 CB LEU A 93 -1.239 -16.107 1.205 1.00 0.75 C ATOM 1484 CG LEU A 93 -1.015 -17.159 2.289 1.00 0.82 C ATOM 1485 CD1 LEU A 93 0.057 -18.151 1.865 1.00 1.03 C ATOM 1486 CD2 LEU A 93 -0.648 -16.497 3.608 1.00 0.95 C ATOM 0 H LEU A 93 -1.670 -15.015 -1.071 1.00 0.62 H new ATOM 0 HA LEU A 93 -2.551 -17.457 0.176 1.00 0.66 H new ATOM 0 HB2 LEU A 93 -0.353 -16.055 0.572 1.00 0.75 H new ATOM 0 HB3 LEU A 93 -1.352 -15.130 1.676 1.00 0.75 H new ATOM 0 HG LEU A 93 -1.946 -17.708 2.430 1.00 0.82 H new ATOM 0 HD11 LEU A 93 0.200 -18.891 2.652 1.00 1.03 H new ATOM 0 HD12 LEU A 93 -0.253 -18.652 0.948 1.00 1.03 H new ATOM 0 HD13 LEU A 93 0.994 -17.622 1.690 1.00 1.03 H new ATOM 0 HD21 LEU A 93 -0.492 -17.262 4.368 1.00 0.95 H new ATOM 0 HD22 LEU A 93 0.267 -15.919 3.483 1.00 0.95 H new ATOM 0 HD23 LEU A 93 -1.456 -15.835 3.920 1.00 0.95 H new ATOM 1498 N GLY A 94 -4.246 -14.753 0.640 1.00 0.53 N ATOM 1499 CA GLY A 94 -5.445 -14.232 1.286 1.00 0.52 C ATOM 1500 C GLY A 94 -6.480 -15.293 1.519 1.00 0.52 C ATOM 1501 O GLY A 94 -7.112 -15.334 2.573 1.00 0.57 O ATOM 0 H GLY A 94 -3.882 -14.180 -0.121 1.00 0.53 H new ATOM 0 HA2 GLY A 94 -5.172 -13.779 2.239 1.00 0.52 H new ATOM 0 HA3 GLY A 94 -5.872 -13.442 0.669 1.00 0.52 H new ATOM 1505 N ILE A 95 -6.664 -16.136 0.514 1.00 0.54 N ATOM 1506 CA ILE A 95 -7.642 -17.196 0.593 1.00 0.57 C ATOM 1507 C ILE A 95 -7.293 -18.179 1.691 1.00 0.61 C ATOM 1508 O ILE A 95 -6.804 -19.276 1.433 1.00 0.67 O ATOM 1509 CB ILE A 95 -7.793 -17.932 -0.749 1.00 0.63 C ATOM 1510 CG1 ILE A 95 -6.428 -18.337 -1.299 1.00 1.32 C ATOM 1511 CG2 ILE A 95 -8.526 -17.053 -1.742 1.00 1.09 C ATOM 1512 CD1 ILE A 95 -6.510 -19.257 -2.497 1.00 1.68 C ATOM 0 H ILE A 95 -6.146 -16.102 -0.364 1.00 0.54 H new ATOM 0 HA ILE A 95 -8.598 -16.731 0.832 1.00 0.57 H new ATOM 0 HB ILE A 95 -8.375 -18.839 -0.585 1.00 0.63 H new ATOM 0 HG12 ILE A 95 -5.876 -17.439 -1.577 1.00 1.32 H new ATOM 0 HG13 ILE A 95 -5.859 -18.830 -0.511 1.00 1.32 H new ATOM 0 HG21 ILE A 95 -8.629 -17.582 -2.690 1.00 1.09 H new ATOM 0 HG22 ILE A 95 -9.515 -16.811 -1.353 1.00 1.09 H new ATOM 0 HG23 ILE A 95 -7.963 -16.133 -1.899 1.00 1.09 H new ATOM 0 HD11 ILE A 95 -5.504 -19.504 -2.835 1.00 1.68 H new ATOM 0 HD12 ILE A 95 -7.034 -20.171 -2.218 1.00 1.68 H new ATOM 0 HD13 ILE A 95 -7.051 -18.759 -3.302 1.00 1.68 H new ATOM 1524 N ARG A 96 -7.523 -17.753 2.922 1.00 0.64 N ATOM 1525 CA ARG A 96 -7.269 -18.590 4.083 1.00 0.74 C ATOM 1526 C ARG A 96 -8.301 -19.710 4.129 1.00 0.82 C ATOM 1527 O ARG A 96 -8.113 -20.721 4.807 1.00 0.93 O ATOM 1528 CB ARG A 96 -7.322 -17.753 5.364 1.00 0.84 C ATOM 1529 CG ARG A 96 -8.727 -17.324 5.762 1.00 1.65 C ATOM 1530 CD ARG A 96 -9.360 -18.316 6.724 1.00 2.45 C ATOM 1531 NE ARG A 96 -8.740 -18.269 8.045 1.00 2.91 N ATOM 1532 CZ ARG A 96 -8.909 -19.206 8.974 1.00 3.85 C ATOM 1533 NH1 ARG A 96 -9.673 -20.260 8.723 1.00 4.47 N ATOM 1534 NH2 ARG A 96 -8.313 -19.089 10.153 1.00 4.48 N ATOM 0 H ARG A 96 -7.887 -16.827 3.144 1.00 0.64 H new ATOM 0 HA ARG A 96 -6.273 -19.025 4.006 1.00 0.74 H new ATOM 0 HB2 ARG A 96 -6.883 -18.327 6.180 1.00 0.84 H new ATOM 0 HB3 ARG A 96 -6.705 -16.864 5.232 1.00 0.84 H new ATOM 0 HG2 ARG A 96 -8.690 -16.338 6.226 1.00 1.65 H new ATOM 0 HG3 ARG A 96 -9.347 -17.234 4.870 1.00 1.65 H new ATOM 0 HD2 ARG A 96 -10.425 -18.103 6.816 1.00 2.45 H new ATOM 0 HD3 ARG A 96 -9.270 -19.323 6.317 1.00 2.45 H new ATOM 0 HE ARG A 96 -8.143 -17.472 8.268 1.00 2.91 H new ATOM 0 HH11 ARG A 96 -10.132 -20.353 7.817 1.00 4.47 H new ATOM 0 HH12 ARG A 96 -9.802 -20.978 9.436 1.00 4.47 H new ATOM 0 HH21 ARG A 96 -7.724 -18.280 10.349 1.00 4.48 H new ATOM 0 HH22 ARG A 96 -8.444 -19.808 10.864 1.00 4.48 H new ATOM 1548 N LYS A 97 -9.396 -19.511 3.399 1.00 0.83 N ATOM 1549 CA LYS A 97 -10.461 -20.486 3.321 1.00 0.95 C ATOM 1550 C LYS A 97 -10.258 -21.381 2.101 1.00 0.94 C ATOM 1551 O LYS A 97 -10.837 -21.144 1.040 1.00 0.98 O ATOM 1552 CB LYS A 97 -11.803 -19.760 3.230 1.00 1.06 C ATOM 1553 CG LYS A 97 -11.826 -18.641 2.190 1.00 0.99 C ATOM 1554 CD LYS A 97 -13.224 -18.086 2.014 1.00 1.56 C ATOM 1555 CE LYS A 97 -13.207 -16.892 1.086 1.00 1.85 C ATOM 1556 NZ LYS A 97 -13.361 -17.293 -0.340 1.00 2.92 N ATOM 0 H LYS A 97 -9.562 -18.668 2.849 1.00 0.83 H new ATOM 0 HA LYS A 97 -10.452 -21.111 4.214 1.00 0.95 H new ATOM 0 HB2 LYS A 97 -12.582 -20.484 2.990 1.00 1.06 H new ATOM 0 HB3 LYS A 97 -12.047 -19.342 4.207 1.00 1.06 H new ATOM 0 HG2 LYS A 97 -11.151 -17.842 2.496 1.00 0.99 H new ATOM 0 HG3 LYS A 97 -11.459 -19.020 1.236 1.00 0.99 H new ATOM 0 HD2 LYS A 97 -13.880 -18.858 1.611 1.00 1.56 H new ATOM 0 HD3 LYS A 97 -13.631 -17.795 2.983 1.00 1.56 H new ATOM 0 HE2 LYS A 97 -14.011 -16.209 1.359 1.00 1.85 H new ATOM 0 HE3 LYS A 97 -12.270 -16.349 1.211 1.00 1.85 H new ATOM 0 HZ1 LYS A 97 -13.598 -16.457 -0.912 1.00 2.92 H new ATOM 0 HZ2 LYS A 97 -12.470 -17.706 -0.683 1.00 2.92 H new ATOM 0 HZ3 LYS A 97 -14.123 -17.996 -0.423 1.00 2.92 H new ATOM 1570 N LYS A 98 -9.423 -22.402 2.260 1.00 0.97 N ATOM 1571 CA LYS A 98 -9.135 -23.334 1.176 1.00 1.06 C ATOM 1572 C LYS A 98 -9.738 -24.706 1.460 1.00 1.22 C ATOM 1573 O LYS A 98 -10.906 -24.928 1.078 1.00 1.61 O ATOM 1574 CB LYS A 98 -7.621 -23.457 0.970 1.00 1.08 C ATOM 1575 CG LYS A 98 -6.969 -22.190 0.437 1.00 1.07 C ATOM 1576 CD LYS A 98 -5.465 -22.355 0.288 1.00 1.51 C ATOM 1577 CE LYS A 98 -4.812 -21.068 -0.187 1.00 2.00 C ATOM 1578 NZ LYS A 98 -3.329 -21.186 -0.254 1.00 2.74 N ATOM 1579 OXT LYS A 98 -9.037 -25.547 2.060 1.00 1.70 O ATOM 0 H LYS A 98 -8.933 -22.605 3.131 1.00 0.97 H new ATOM 0 HA LYS A 98 -9.588 -22.944 0.265 1.00 1.06 H new ATOM 0 HB2 LYS A 98 -7.155 -23.723 1.919 1.00 1.08 H new ATOM 0 HB3 LYS A 98 -7.423 -24.275 0.278 1.00 1.08 H new ATOM 0 HG2 LYS A 98 -7.405 -21.934 -0.529 1.00 1.07 H new ATOM 0 HG3 LYS A 98 -7.180 -21.360 1.112 1.00 1.07 H new ATOM 0 HD2 LYS A 98 -5.033 -22.653 1.244 1.00 1.51 H new ATOM 0 HD3 LYS A 98 -5.253 -23.156 -0.421 1.00 1.51 H new ATOM 0 HE2 LYS A 98 -5.200 -20.807 -1.172 1.00 2.00 H new ATOM 0 HE3 LYS A 98 -5.081 -20.255 0.487 1.00 2.00 H new ATOM 0 HZ1 LYS A 98 -2.924 -20.286 -0.582 1.00 2.74 H new ATOM 0 HZ2 LYS A 98 -2.956 -21.410 0.690 1.00 2.74 H new ATOM 0 HZ3 LYS A 98 -3.071 -21.945 -0.917 1.00 2.74 H new ATOM 1594 N MET B 1 18.691 -4.517 -2.664 1.00 0.65 N ATOM 1595 CA MET B 1 18.050 -5.832 -2.905 1.00 0.59 C ATOM 1596 C MET B 1 16.693 -5.661 -3.567 1.00 0.59 C ATOM 1597 O MET B 1 16.308 -4.552 -3.935 1.00 0.60 O ATOM 1598 CB MET B 1 17.894 -6.587 -1.586 1.00 0.58 C ATOM 1599 CG MET B 1 19.048 -7.537 -1.256 1.00 0.60 C ATOM 1600 SD MET B 1 20.672 -6.975 -1.817 1.00 0.94 S ATOM 1601 CE MET B 1 21.707 -8.305 -1.212 1.00 1.18 C ATOM 0 H1 MET B 1 19.712 -4.650 -2.520 1.00 0.65 H new ATOM 0 H2 MET B 1 18.535 -3.899 -3.486 1.00 0.65 H new ATOM 0 H3 MET B 1 18.276 -4.079 -1.817 1.00 0.65 H new ATOM 0 HA MET B 1 18.689 -6.406 -3.576 1.00 0.59 H new ATOM 0 HB2 MET B 1 17.794 -5.863 -0.777 1.00 0.58 H new ATOM 0 HB3 MET B 1 16.967 -7.159 -1.617 1.00 0.58 H new ATOM 0 HG2 MET B 1 19.082 -7.684 -0.177 1.00 0.60 H new ATOM 0 HG3 MET B 1 18.840 -8.509 -1.704 1.00 0.60 H new ATOM 0 HE1 MET B 1 22.550 -8.446 -1.888 1.00 1.18 H new ATOM 0 HE2 MET B 1 22.077 -8.055 -0.218 1.00 1.18 H new ATOM 0 HE3 MET B 1 21.125 -9.225 -1.161 1.00 1.18 H new ATOM 1613 N ALA B 2 15.979 -6.766 -3.734 1.00 0.61 N ATOM 1614 CA ALA B 2 14.670 -6.723 -4.368 1.00 0.64 C ATOM 1615 C ALA B 2 13.536 -7.040 -3.399 1.00 0.62 C ATOM 1616 O ALA B 2 13.747 -7.636 -2.343 1.00 0.71 O ATOM 1617 CB ALA B 2 14.631 -7.673 -5.554 1.00 0.72 C ATOM 0 H ALA B 2 16.281 -7.695 -3.442 1.00 0.61 H new ATOM 0 HA ALA B 2 14.516 -5.701 -4.713 1.00 0.64 H new ATOM 0 HB1 ALA B 2 13.647 -7.632 -6.021 1.00 0.72 H new ATOM 0 HB2 ALA B 2 15.389 -7.380 -6.280 1.00 0.72 H new ATOM 0 HB3 ALA B 2 14.829 -8.689 -5.213 1.00 0.72 H new ATOM 1623 N ALA B 3 12.329 -6.626 -3.775 1.00 0.73 N ATOM 1624 CA ALA B 3 11.137 -6.879 -2.976 1.00 0.75 C ATOM 1625 C ALA B 3 10.768 -8.350 -3.062 1.00 0.65 C ATOM 1626 O ALA B 3 10.113 -8.782 -4.010 1.00 0.81 O ATOM 1627 CB ALA B 3 9.983 -6.021 -3.470 1.00 1.04 C ATOM 0 H ALA B 3 12.152 -6.109 -4.636 1.00 0.73 H new ATOM 0 HA ALA B 3 11.342 -6.621 -1.937 1.00 0.75 H new ATOM 0 HB1 ALA B 3 9.098 -6.219 -2.865 1.00 1.04 H new ATOM 0 HB2 ALA B 3 10.251 -4.968 -3.387 1.00 1.04 H new ATOM 0 HB3 ALA B 3 9.772 -6.261 -4.512 1.00 1.04 H new ATOM 1633 N GLU B 4 11.198 -9.119 -2.075 1.00 0.62 N ATOM 1634 CA GLU B 4 10.920 -10.542 -2.056 1.00 0.75 C ATOM 1635 C GLU B 4 9.420 -10.774 -1.829 1.00 0.74 C ATOM 1636 O GLU B 4 8.600 -10.127 -2.481 1.00 0.86 O ATOM 1637 CB GLU B 4 11.773 -11.213 -0.980 1.00 0.97 C ATOM 1638 CG GLU B 4 12.186 -12.635 -1.318 1.00 1.45 C ATOM 1639 CD GLU B 4 11.086 -13.427 -1.995 1.00 2.42 C ATOM 1640 OE1 GLU B 4 10.237 -13.996 -1.277 1.00 3.20 O ATOM 1641 OE2 GLU B 4 11.072 -13.479 -3.243 1.00 3.02 O ATOM 0 H GLU B 4 11.739 -8.781 -1.279 1.00 0.62 H new ATOM 0 HA GLU B 4 11.180 -10.989 -3.015 1.00 0.75 H new ATOM 0 HB2 GLU B 4 12.669 -10.615 -0.815 1.00 0.97 H new ATOM 0 HB3 GLU B 4 11.218 -11.220 -0.042 1.00 0.97 H new ATOM 0 HG2 GLU B 4 13.060 -12.608 -1.969 1.00 1.45 H new ATOM 0 HG3 GLU B 4 12.485 -13.148 -0.404 1.00 1.45 H new ATOM 1648 N THR B 5 9.038 -11.682 -0.926 1.00 0.70 N ATOM 1649 CA THR B 5 7.628 -11.931 -0.684 1.00 0.75 C ATOM 1650 C THR B 5 6.937 -10.731 -0.020 1.00 0.62 C ATOM 1651 O THR B 5 6.408 -9.857 -0.706 1.00 0.79 O ATOM 1652 CB THR B 5 7.427 -13.192 0.181 1.00 0.92 C ATOM 1653 OG1 THR B 5 7.916 -14.347 -0.513 1.00 1.42 O ATOM 1654 CG2 THR B 5 5.960 -13.380 0.524 1.00 1.08 C ATOM 0 H THR B 5 9.677 -12.244 -0.364 1.00 0.70 H new ATOM 0 HA THR B 5 7.167 -12.091 -1.659 1.00 0.75 H new ATOM 0 HB THR B 5 7.987 -13.065 1.108 1.00 0.92 H new ATOM 0 HG1 THR B 5 7.197 -14.730 -1.057 1.00 1.42 H new ATOM 0 HG21 THR B 5 5.841 -14.275 1.134 1.00 1.08 H new ATOM 0 HG22 THR B 5 5.602 -12.512 1.078 1.00 1.08 H new ATOM 0 HG23 THR B 5 5.383 -13.488 -0.394 1.00 1.08 H new ATOM 1662 N LEU B 6 6.942 -10.690 1.312 1.00 0.54 N ATOM 1663 CA LEU B 6 6.285 -9.611 2.046 1.00 0.50 C ATOM 1664 C LEU B 6 7.284 -8.616 2.620 1.00 0.49 C ATOM 1665 O LEU B 6 7.911 -8.888 3.641 1.00 0.56 O ATOM 1666 CB LEU B 6 5.456 -10.178 3.206 1.00 0.60 C ATOM 1667 CG LEU B 6 4.279 -11.069 2.821 1.00 0.75 C ATOM 1668 CD1 LEU B 6 4.576 -12.519 3.172 1.00 1.15 C ATOM 1669 CD2 LEU B 6 3.011 -10.603 3.523 1.00 1.07 C ATOM 0 H LEU B 6 7.392 -11.389 1.902 1.00 0.54 H new ATOM 0 HA LEU B 6 5.644 -9.096 1.331 1.00 0.50 H new ATOM 0 HB2 LEU B 6 6.120 -10.749 3.854 1.00 0.60 H new ATOM 0 HB3 LEU B 6 5.076 -9.344 3.795 1.00 0.60 H new ATOM 0 HG LEU B 6 4.126 -10.997 1.744 1.00 0.75 H new ATOM 0 HD11 LEU B 6 3.727 -13.142 2.891 1.00 1.15 H new ATOM 0 HD12 LEU B 6 5.463 -12.850 2.632 1.00 1.15 H new ATOM 0 HD13 LEU B 6 4.751 -12.605 4.244 1.00 1.15 H new ATOM 0 HD21 LEU B 6 2.180 -11.248 3.239 1.00 1.07 H new ATOM 0 HD22 LEU B 6 3.154 -10.650 4.602 1.00 1.07 H new ATOM 0 HD23 LEU B 6 2.790 -9.576 3.231 1.00 1.07 H new ATOM 1681 N THR B 7 7.417 -7.451 1.997 1.00 0.50 N ATOM 1682 CA THR B 7 8.327 -6.445 2.520 1.00 0.53 C ATOM 1683 C THR B 7 7.785 -5.946 3.841 1.00 0.48 C ATOM 1684 O THR B 7 6.598 -6.084 4.108 1.00 0.55 O ATOM 1685 CB THR B 7 8.526 -5.258 1.553 1.00 0.60 C ATOM 1686 OG1 THR B 7 7.481 -5.240 0.574 1.00 0.83 O ATOM 1687 CG2 THR B 7 9.888 -5.322 0.860 1.00 0.80 C ATOM 0 H THR B 7 6.918 -7.185 1.148 1.00 0.50 H new ATOM 0 HA THR B 7 9.304 -6.910 2.649 1.00 0.53 H new ATOM 0 HB THR B 7 8.489 -4.340 2.140 1.00 0.60 H new ATOM 0 HG1 THR B 7 6.732 -4.701 0.905 1.00 0.83 H new ATOM 0 HG21 THR B 7 9.994 -4.471 0.187 1.00 0.80 H new ATOM 0 HG22 THR B 7 10.679 -5.293 1.609 1.00 0.80 H new ATOM 0 HG23 THR B 7 9.963 -6.248 0.289 1.00 0.80 H new ATOM 1695 N GLU B 8 8.652 -5.361 4.663 1.00 0.46 N ATOM 1696 CA GLU B 8 8.252 -4.865 5.985 1.00 0.45 C ATOM 1697 C GLU B 8 6.873 -4.211 5.951 1.00 0.41 C ATOM 1698 O GLU B 8 6.145 -4.210 6.943 1.00 0.42 O ATOM 1699 CB GLU B 8 9.283 -3.869 6.515 1.00 0.50 C ATOM 1700 CG GLU B 8 10.719 -4.313 6.299 1.00 0.52 C ATOM 1701 CD GLU B 8 11.713 -3.493 7.097 1.00 1.09 C ATOM 1702 OE1 GLU B 8 11.524 -3.361 8.324 1.00 1.67 O ATOM 1703 OE2 GLU B 8 12.681 -2.985 6.494 1.00 1.94 O ATOM 0 H GLU B 8 9.637 -5.217 4.441 1.00 0.46 H new ATOM 0 HA GLU B 8 8.201 -5.725 6.653 1.00 0.45 H new ATOM 0 HB2 GLU B 8 9.131 -2.906 6.027 1.00 0.50 H new ATOM 0 HB3 GLU B 8 9.115 -3.716 7.581 1.00 0.50 H new ATOM 0 HG2 GLU B 8 10.816 -5.363 6.576 1.00 0.52 H new ATOM 0 HG3 GLU B 8 10.962 -4.239 5.239 1.00 0.52 H new ATOM 1710 N LEU B 9 6.533 -3.658 4.800 1.00 0.41 N ATOM 1711 CA LEU B 9 5.247 -3.012 4.603 1.00 0.40 C ATOM 1712 C LEU B 9 4.089 -3.940 4.959 1.00 0.38 C ATOM 1713 O LEU B 9 3.011 -3.477 5.326 1.00 0.40 O ATOM 1714 CB LEU B 9 5.136 -2.573 3.144 1.00 0.46 C ATOM 1715 CG LEU B 9 6.399 -1.919 2.564 1.00 0.58 C ATOM 1716 CD1 LEU B 9 6.058 -1.087 1.345 1.00 0.93 C ATOM 1717 CD2 LEU B 9 7.118 -1.074 3.611 1.00 0.93 C ATOM 0 H LEU B 9 7.138 -3.644 3.979 1.00 0.41 H new ATOM 0 HA LEU B 9 5.186 -2.148 5.265 1.00 0.40 H new ATOM 0 HB2 LEU B 9 4.884 -3.443 2.537 1.00 0.46 H new ATOM 0 HB3 LEU B 9 4.307 -1.871 3.054 1.00 0.46 H new ATOM 0 HG LEU B 9 7.077 -2.716 2.259 1.00 0.58 H new ATOM 0 HD11 LEU B 9 6.966 -0.632 0.949 1.00 0.93 H new ATOM 0 HD12 LEU B 9 5.610 -1.725 0.583 1.00 0.93 H new ATOM 0 HD13 LEU B 9 5.352 -0.304 1.624 1.00 0.93 H new ATOM 0 HD21 LEU B 9 8.007 -0.625 3.168 1.00 0.93 H new ATOM 0 HD22 LEU B 9 6.452 -0.287 3.964 1.00 0.93 H new ATOM 0 HD23 LEU B 9 7.410 -1.705 4.450 1.00 0.93 H new ATOM 1729 N GLU B 10 4.316 -5.248 4.876 1.00 0.38 N ATOM 1730 CA GLU B 10 3.272 -6.213 5.203 1.00 0.39 C ATOM 1731 C GLU B 10 2.731 -5.937 6.593 1.00 0.38 C ATOM 1732 O GLU B 10 1.538 -6.090 6.843 1.00 0.40 O ATOM 1733 CB GLU B 10 3.797 -7.644 5.103 1.00 0.45 C ATOM 1734 CG GLU B 10 5.217 -7.793 5.620 1.00 0.45 C ATOM 1735 CD GLU B 10 5.357 -8.915 6.631 1.00 0.55 C ATOM 1736 OE1 GLU B 10 5.186 -8.650 7.840 1.00 1.26 O ATOM 1737 OE2 GLU B 10 5.639 -10.058 6.214 1.00 1.16 O ATOM 0 H GLU B 10 5.203 -5.660 4.588 1.00 0.38 H new ATOM 0 HA GLU B 10 2.463 -6.105 4.481 1.00 0.39 H new ATOM 0 HB2 GLU B 10 3.140 -8.306 5.666 1.00 0.45 H new ATOM 0 HB3 GLU B 10 3.759 -7.967 4.063 1.00 0.45 H new ATOM 0 HG2 GLU B 10 5.887 -7.980 4.781 1.00 0.45 H new ATOM 0 HG3 GLU B 10 5.533 -6.856 6.078 1.00 0.45 H new ATOM 1744 N ALA B 11 3.610 -5.523 7.499 1.00 0.39 N ATOM 1745 CA ALA B 11 3.183 -5.179 8.846 1.00 0.39 C ATOM 1746 C ALA B 11 2.118 -4.098 8.759 1.00 0.36 C ATOM 1747 O ALA B 11 1.224 -4.010 9.601 1.00 0.39 O ATOM 1748 CB ALA B 11 4.363 -4.710 9.683 1.00 0.42 C ATOM 0 H ALA B 11 4.610 -5.419 7.327 1.00 0.39 H new ATOM 0 HA ALA B 11 2.768 -6.061 9.334 1.00 0.39 H new ATOM 0 HB1 ALA B 11 4.020 -4.458 10.686 1.00 0.42 H new ATOM 0 HB2 ALA B 11 5.106 -5.505 9.742 1.00 0.42 H new ATOM 0 HB3 ALA B 11 4.810 -3.830 9.221 1.00 0.42 H new ATOM 1754 N ALA B 12 2.232 -3.274 7.719 1.00 0.33 N ATOM 1755 CA ALA B 12 1.276 -2.207 7.476 1.00 0.32 C ATOM 1756 C ALA B 12 -0.037 -2.789 6.973 1.00 0.33 C ATOM 1757 O ALA B 12 -1.100 -2.192 7.147 1.00 0.34 O ATOM 1758 CB ALA B 12 1.840 -1.209 6.474 1.00 0.34 C ATOM 0 H ALA B 12 2.983 -3.329 7.031 1.00 0.33 H new ATOM 0 HA ALA B 12 1.087 -1.681 8.412 1.00 0.32 H new ATOM 0 HB1 ALA B 12 1.113 -0.416 6.302 1.00 0.34 H new ATOM 0 HB2 ALA B 12 2.760 -0.778 6.868 1.00 0.34 H new ATOM 0 HB3 ALA B 12 2.051 -1.718 5.533 1.00 0.34 H new ATOM 1764 N ILE B 13 0.043 -3.962 6.342 1.00 0.36 N ATOM 1765 CA ILE B 13 -1.142 -4.635 5.828 1.00 0.40 C ATOM 1766 C ILE B 13 -2.200 -4.725 6.928 1.00 0.39 C ATOM 1767 O ILE B 13 -3.401 -4.690 6.665 1.00 0.42 O ATOM 1768 CB ILE B 13 -0.797 -6.053 5.274 1.00 0.47 C ATOM 1769 CG1 ILE B 13 -1.719 -6.402 4.104 1.00 0.90 C ATOM 1770 CG2 ILE B 13 -0.872 -7.138 6.352 1.00 0.99 C ATOM 1771 CD1 ILE B 13 -3.155 -6.635 4.515 1.00 2.05 C ATOM 0 H ILE B 13 0.917 -4.462 6.177 1.00 0.36 H new ATOM 0 HA ILE B 13 -1.538 -4.050 4.998 1.00 0.40 H new ATOM 0 HB ILE B 13 0.235 -6.020 4.926 1.00 0.47 H new ATOM 0 HG12 ILE B 13 -1.685 -5.595 3.372 1.00 0.90 H new ATOM 0 HG13 ILE B 13 -1.342 -7.297 3.609 1.00 0.90 H new ATOM 0 HG21 ILE B 13 -0.623 -8.104 5.914 1.00 0.99 H new ATOM 0 HG22 ILE B 13 -0.165 -6.908 7.149 1.00 0.99 H new ATOM 0 HG23 ILE B 13 -1.881 -7.175 6.762 1.00 0.99 H new ATOM 0 HD11 ILE B 13 -3.751 -6.878 3.635 1.00 2.05 H new ATOM 0 HD12 ILE B 13 -3.201 -7.462 5.224 1.00 2.05 H new ATOM 0 HD13 ILE B 13 -3.550 -5.734 4.983 1.00 2.05 H new ATOM 1783 N GLU B 14 -1.717 -4.835 8.165 1.00 0.39 N ATOM 1784 CA GLU B 14 -2.580 -4.937 9.331 1.00 0.42 C ATOM 1785 C GLU B 14 -3.364 -3.649 9.561 1.00 0.38 C ATOM 1786 O GLU B 14 -4.534 -3.692 9.942 1.00 0.46 O ATOM 1787 CB GLU B 14 -1.750 -5.268 10.573 1.00 0.46 C ATOM 1788 CG GLU B 14 -0.980 -6.573 10.458 1.00 0.79 C ATOM 1789 CD GLU B 14 -1.882 -7.765 10.203 1.00 1.46 C ATOM 1790 OE1 GLU B 14 -2.464 -8.287 11.177 1.00 2.25 O ATOM 1791 OE2 GLU B 14 -2.007 -8.174 9.030 1.00 2.02 O ATOM 0 H GLU B 14 -0.721 -4.855 8.382 1.00 0.39 H new ATOM 0 HA GLU B 14 -3.294 -5.739 9.146 1.00 0.42 H new ATOM 0 HB2 GLU B 14 -1.047 -4.456 10.757 1.00 0.46 H new ATOM 0 HB3 GLU B 14 -2.411 -5.320 11.438 1.00 0.46 H new ATOM 0 HG2 GLU B 14 -0.255 -6.492 9.648 1.00 0.79 H new ATOM 0 HG3 GLU B 14 -0.416 -6.739 11.376 1.00 0.79 H new ATOM 1798 N THR B 15 -2.727 -2.501 9.334 1.00 0.30 N ATOM 1799 CA THR B 15 -3.390 -1.234 9.526 1.00 0.28 C ATOM 1800 C THR B 15 -4.444 -1.010 8.449 1.00 0.28 C ATOM 1801 O THR B 15 -5.613 -0.758 8.740 1.00 0.34 O ATOM 1802 CB THR B 15 -2.385 -0.073 9.510 1.00 0.28 C ATOM 1803 OG1 THR B 15 -1.403 -0.257 10.539 1.00 0.29 O ATOM 1804 CG2 THR B 15 -3.094 1.258 9.712 1.00 0.32 C ATOM 0 H THR B 15 -1.759 -2.433 9.019 1.00 0.30 H new ATOM 0 HA THR B 15 -3.874 -1.263 10.502 1.00 0.28 H new ATOM 0 HB THR B 15 -1.893 -0.062 8.538 1.00 0.28 H new ATOM 0 HG1 THR B 15 -1.087 0.617 10.849 1.00 0.29 H new ATOM 0 HG21 THR B 15 -2.362 2.066 9.697 1.00 0.32 H new ATOM 0 HG22 THR B 15 -3.818 1.410 8.912 1.00 0.32 H new ATOM 0 HG23 THR B 15 -3.610 1.253 10.672 1.00 0.32 H new ATOM 1812 N VAL B 16 -4.004 -1.115 7.204 1.00 0.27 N ATOM 1813 CA VAL B 16 -4.864 -0.945 6.035 1.00 0.28 C ATOM 1814 C VAL B 16 -5.977 -1.982 6.009 1.00 0.30 C ATOM 1815 O VAL B 16 -7.092 -1.695 5.572 1.00 0.36 O ATOM 1816 CB VAL B 16 -4.014 -1.068 4.758 1.00 0.30 C ATOM 1817 CG1 VAL B 16 -3.309 -2.409 4.731 1.00 0.33 C ATOM 1818 CG2 VAL B 16 -4.857 -0.893 3.509 1.00 0.33 C ATOM 0 H VAL B 16 -3.033 -1.322 6.971 1.00 0.27 H new ATOM 0 HA VAL B 16 -5.324 0.042 6.088 1.00 0.28 H new ATOM 0 HB VAL B 16 -3.271 -0.271 4.771 1.00 0.30 H new ATOM 0 HG11 VAL B 16 -2.710 -2.487 3.824 1.00 0.33 H new ATOM 0 HG12 VAL B 16 -2.660 -2.497 5.603 1.00 0.33 H new ATOM 0 HG13 VAL B 16 -4.049 -3.209 4.747 1.00 0.33 H new ATOM 0 HG21 VAL B 16 -4.224 -0.986 2.627 1.00 0.33 H new ATOM 0 HG22 VAL B 16 -5.631 -1.660 3.482 1.00 0.33 H new ATOM 0 HG23 VAL B 16 -5.322 0.093 3.519 1.00 0.33 H new ATOM 1828 N VAL B 17 -5.677 -3.184 6.476 1.00 0.31 N ATOM 1829 CA VAL B 17 -6.668 -4.247 6.506 1.00 0.33 C ATOM 1830 C VAL B 17 -7.602 -4.068 7.702 1.00 0.30 C ATOM 1831 O VAL B 17 -8.801 -4.331 7.625 1.00 0.33 O ATOM 1832 CB VAL B 17 -6.003 -5.638 6.563 1.00 0.43 C ATOM 1833 CG1 VAL B 17 -5.403 -5.915 7.934 1.00 0.45 C ATOM 1834 CG2 VAL B 17 -6.994 -6.720 6.176 1.00 0.50 C ATOM 0 H VAL B 17 -4.760 -3.447 6.838 1.00 0.31 H new ATOM 0 HA VAL B 17 -7.247 -4.186 5.584 1.00 0.33 H new ATOM 0 HB VAL B 17 -5.186 -5.646 5.842 1.00 0.43 H new ATOM 0 HG11 VAL B 17 -4.943 -6.903 7.937 1.00 0.45 H new ATOM 0 HG12 VAL B 17 -4.647 -5.163 8.159 1.00 0.45 H new ATOM 0 HG13 VAL B 17 -6.188 -5.878 8.689 1.00 0.45 H new ATOM 0 HG21 VAL B 17 -6.506 -7.694 6.222 1.00 0.50 H new ATOM 0 HG22 VAL B 17 -7.838 -6.704 6.866 1.00 0.50 H new ATOM 0 HG23 VAL B 17 -7.351 -6.541 5.162 1.00 0.50 H new ATOM 1844 N SER B 18 -7.028 -3.634 8.818 1.00 0.33 N ATOM 1845 CA SER B 18 -7.794 -3.406 10.034 1.00 0.40 C ATOM 1846 C SER B 18 -8.494 -2.045 10.016 1.00 0.44 C ATOM 1847 O SER B 18 -9.277 -1.735 10.912 1.00 0.59 O ATOM 1848 CB SER B 18 -6.884 -3.504 11.259 1.00 0.51 C ATOM 1849 OG SER B 18 -6.277 -4.783 11.342 1.00 1.32 O ATOM 0 H SER B 18 -6.032 -3.433 8.904 1.00 0.33 H new ATOM 0 HA SER B 18 -8.561 -4.178 10.088 1.00 0.40 H new ATOM 0 HB2 SER B 18 -6.113 -2.735 11.206 1.00 0.51 H new ATOM 0 HB3 SER B 18 -7.463 -3.313 12.163 1.00 0.51 H new ATOM 0 HG SER B 18 -5.543 -4.839 10.695 1.00 1.32 H new ATOM 1855 N THR B 19 -8.151 -1.198 9.047 1.00 0.37 N ATOM 1856 CA THR B 19 -8.776 0.119 8.937 1.00 0.45 C ATOM 1857 C THR B 19 -10.081 0.120 8.130 1.00 0.46 C ATOM 1858 O THR B 19 -11.162 -0.106 8.675 1.00 0.53 O ATOM 1859 CB THR B 19 -7.809 1.182 8.367 1.00 0.45 C ATOM 1860 OG1 THR B 19 -6.987 0.630 7.323 1.00 0.42 O ATOM 1861 CG2 THR B 19 -6.925 1.745 9.467 1.00 0.49 C ATOM 0 H THR B 19 -7.450 -1.397 8.333 1.00 0.37 H new ATOM 0 HA THR B 19 -9.030 0.385 9.963 1.00 0.45 H new ATOM 0 HB THR B 19 -8.414 1.985 7.946 1.00 0.45 H new ATOM 0 HG1 THR B 19 -6.283 0.075 7.720 1.00 0.42 H new ATOM 0 HG21 THR B 19 -6.251 2.491 9.046 1.00 0.49 H new ATOM 0 HG22 THR B 19 -7.547 2.208 10.233 1.00 0.49 H new ATOM 0 HG23 THR B 19 -6.341 0.940 9.913 1.00 0.49 H new ATOM 1869 N PHE B 20 -9.963 0.379 6.825 1.00 0.45 N ATOM 1870 CA PHE B 20 -11.114 0.472 5.927 1.00 0.53 C ATOM 1871 C PHE B 20 -11.613 -0.893 5.517 1.00 0.53 C ATOM 1872 O PHE B 20 -12.816 -1.117 5.383 1.00 0.68 O ATOM 1873 CB PHE B 20 -10.683 1.321 4.723 1.00 0.60 C ATOM 1874 CG PHE B 20 -11.278 0.973 3.386 1.00 0.72 C ATOM 1875 CD1 PHE B 20 -12.641 1.016 3.164 1.00 1.26 C ATOM 1876 CD2 PHE B 20 -10.443 0.622 2.340 1.00 1.59 C ATOM 1877 CE1 PHE B 20 -13.159 0.709 1.919 1.00 1.37 C ATOM 1878 CE2 PHE B 20 -10.953 0.314 1.097 1.00 1.77 C ATOM 1879 CZ PHE B 20 -12.313 0.356 0.886 1.00 1.18 C ATOM 0 H PHE B 20 -9.066 0.530 6.363 1.00 0.45 H new ATOM 0 HA PHE B 20 -11.956 0.945 6.432 1.00 0.53 H new ATOM 0 HB2 PHE B 20 -10.925 2.361 4.940 1.00 0.60 H new ATOM 0 HB3 PHE B 20 -9.598 1.258 4.636 1.00 0.60 H new ATOM 0 HD1 PHE B 20 -13.307 1.291 3.969 1.00 1.26 H new ATOM 0 HD2 PHE B 20 -9.375 0.589 2.500 1.00 1.59 H new ATOM 0 HE1 PHE B 20 -14.226 0.745 1.754 1.00 1.37 H new ATOM 0 HE2 PHE B 20 -10.288 0.041 0.291 1.00 1.77 H new ATOM 0 HZ PHE B 20 -12.717 0.113 -0.086 1.00 1.18 H new ATOM 1889 N PHE B 21 -10.689 -1.794 5.318 1.00 0.44 N ATOM 1890 CA PHE B 21 -11.028 -3.126 4.925 1.00 0.47 C ATOM 1891 C PHE B 21 -11.943 -3.781 5.967 1.00 0.49 C ATOM 1892 O PHE B 21 -12.638 -4.749 5.698 1.00 0.63 O ATOM 1893 CB PHE B 21 -9.733 -3.917 4.664 1.00 0.47 C ATOM 1894 CG PHE B 21 -8.866 -3.341 3.570 1.00 0.45 C ATOM 1895 CD1 PHE B 21 -9.233 -2.190 2.882 1.00 1.15 C ATOM 1896 CD2 PHE B 21 -7.657 -3.938 3.255 1.00 1.39 C ATOM 1897 CE1 PHE B 21 -8.413 -1.664 1.904 1.00 1.13 C ATOM 1898 CE2 PHE B 21 -6.837 -3.410 2.284 1.00 1.44 C ATOM 1899 CZ PHE B 21 -7.214 -2.273 1.606 1.00 0.53 C ATOM 0 H PHE B 21 -9.689 -1.623 5.424 1.00 0.44 H new ATOM 0 HA PHE B 21 -11.598 -3.115 3.996 1.00 0.47 H new ATOM 0 HB2 PHE B 21 -9.154 -3.959 5.587 1.00 0.47 H new ATOM 0 HB3 PHE B 21 -9.993 -4.943 4.404 1.00 0.47 H new ATOM 0 HD1 PHE B 21 -10.168 -1.703 3.115 1.00 1.15 H new ATOM 0 HD2 PHE B 21 -7.353 -4.832 3.779 1.00 1.39 H new ATOM 0 HE1 PHE B 21 -8.712 -0.773 1.371 1.00 1.13 H new ATOM 0 HE2 PHE B 21 -5.897 -3.888 2.054 1.00 1.44 H new ATOM 0 HZ PHE B 21 -6.572 -1.860 0.843 1.00 0.53 H new ATOM 1909 N THR B 22 -11.996 -3.223 7.158 1.00 0.48 N ATOM 1910 CA THR B 22 -12.883 -3.766 8.174 1.00 0.54 C ATOM 1911 C THR B 22 -14.333 -3.788 7.678 1.00 0.48 C ATOM 1912 O THR B 22 -15.185 -4.470 8.248 1.00 0.53 O ATOM 1913 CB THR B 22 -12.810 -2.943 9.463 1.00 0.65 C ATOM 1914 OG1 THR B 22 -13.214 -1.590 9.214 1.00 0.66 O ATOM 1915 CG2 THR B 22 -11.402 -2.964 10.004 1.00 0.81 C ATOM 0 H THR B 22 -11.450 -2.411 7.446 1.00 0.48 H new ATOM 0 HA THR B 22 -12.555 -4.785 8.379 1.00 0.54 H new ATOM 0 HB THR B 22 -13.485 -3.382 10.198 1.00 0.65 H new ATOM 0 HG1 THR B 22 -12.459 -1.086 8.845 1.00 0.66 H new ATOM 0 HG21 THR B 22 -11.356 -2.377 10.921 1.00 0.81 H new ATOM 0 HG22 THR B 22 -11.109 -3.992 10.216 1.00 0.81 H new ATOM 0 HG23 THR B 22 -10.722 -2.538 9.266 1.00 0.81 H new ATOM 1923 N PHE B 23 -14.603 -3.033 6.610 1.00 0.49 N ATOM 1924 CA PHE B 23 -15.937 -2.939 6.040 1.00 0.51 C ATOM 1925 C PHE B 23 -16.336 -4.204 5.272 1.00 0.44 C ATOM 1926 O PHE B 23 -17.521 -4.507 5.151 1.00 0.46 O ATOM 1927 CB PHE B 23 -16.002 -1.643 5.218 1.00 0.68 C ATOM 1928 CG PHE B 23 -16.406 -1.713 3.773 1.00 0.61 C ATOM 1929 CD1 PHE B 23 -17.573 -2.332 3.343 1.00 1.46 C ATOM 1930 CD2 PHE B 23 -15.628 -1.058 2.846 1.00 1.48 C ATOM 1931 CE1 PHE B 23 -17.942 -2.286 2.015 1.00 1.93 C ATOM 1932 CE2 PHE B 23 -15.983 -1.021 1.522 1.00 1.88 C ATOM 1933 CZ PHE B 23 -17.142 -1.631 1.104 1.00 1.83 C ATOM 0 H PHE B 23 -13.902 -2.475 6.123 1.00 0.49 H new ATOM 0 HA PHE B 23 -16.689 -2.882 6.827 1.00 0.51 H new ATOM 0 HB2 PHE B 23 -16.696 -0.970 5.721 1.00 0.68 H new ATOM 0 HB3 PHE B 23 -15.018 -1.177 5.262 1.00 0.68 H new ATOM 0 HD1 PHE B 23 -18.196 -2.853 4.054 1.00 1.46 H new ATOM 0 HD2 PHE B 23 -14.722 -0.565 3.167 1.00 1.48 H new ATOM 0 HE1 PHE B 23 -18.855 -2.762 1.690 1.00 1.93 H new ATOM 0 HE2 PHE B 23 -15.352 -0.513 0.808 1.00 1.88 H new ATOM 0 HZ PHE B 23 -17.425 -1.597 0.062 1.00 1.83 H new ATOM 1943 N ALA B 24 -15.361 -4.979 4.792 1.00 0.51 N ATOM 1944 CA ALA B 24 -15.683 -6.235 4.089 1.00 0.59 C ATOM 1945 C ALA B 24 -16.675 -7.035 4.903 1.00 0.61 C ATOM 1946 O ALA B 24 -17.587 -7.659 4.359 1.00 0.67 O ATOM 1947 CB ALA B 24 -14.437 -7.056 3.829 1.00 0.71 C ATOM 0 H ALA B 24 -14.365 -4.772 4.871 1.00 0.51 H new ATOM 0 HA ALA B 24 -16.123 -5.984 3.124 1.00 0.59 H new ATOM 0 HB1 ALA B 24 -14.709 -7.975 3.310 1.00 0.71 H new ATOM 0 HB2 ALA B 24 -13.745 -6.482 3.213 1.00 0.71 H new ATOM 0 HB3 ALA B 24 -13.959 -7.303 4.777 1.00 0.71 H new ATOM 1953 N GLY B 25 -16.475 -7.024 6.219 1.00 0.71 N ATOM 1954 CA GLY B 25 -17.398 -7.686 7.129 1.00 0.85 C ATOM 1955 C GLY B 25 -18.846 -7.507 6.696 1.00 0.74 C ATOM 1956 O GLY B 25 -19.694 -8.353 6.978 1.00 0.82 O ATOM 0 H GLY B 25 -15.686 -6.566 6.674 1.00 0.71 H new ATOM 0 HA2 GLY B 25 -17.162 -8.749 7.176 1.00 0.85 H new ATOM 0 HA3 GLY B 25 -17.267 -7.285 8.134 1.00 0.85 H new ATOM 1960 N ARG B 26 -19.126 -6.389 6.008 1.00 0.61 N ATOM 1961 CA ARG B 26 -20.462 -6.118 5.480 1.00 0.59 C ATOM 1962 C ARG B 26 -21.004 -7.373 4.809 1.00 0.58 C ATOM 1963 O ARG B 26 -22.145 -7.775 5.032 1.00 0.72 O ATOM 1964 CB ARG B 26 -20.413 -4.970 4.469 1.00 0.61 C ATOM 1965 CG ARG B 26 -21.725 -4.762 3.730 1.00 1.18 C ATOM 1966 CD ARG B 26 -22.229 -3.337 3.878 1.00 0.96 C ATOM 1967 NE ARG B 26 -22.484 -2.989 5.272 1.00 1.55 N ATOM 1968 CZ ARG B 26 -23.090 -1.869 5.652 1.00 1.95 C ATOM 1969 NH1 ARG B 26 -23.505 -0.997 4.744 1.00 2.01 N ATOM 1970 NH2 ARG B 26 -23.281 -1.621 6.940 1.00 2.82 N ATOM 0 H ARG B 26 -18.441 -5.661 5.807 1.00 0.61 H new ATOM 0 HA ARG B 26 -21.117 -5.830 6.302 1.00 0.59 H new ATOM 0 HB2 ARG B 26 -20.147 -4.049 4.988 1.00 0.61 H new ATOM 0 HB3 ARG B 26 -19.623 -5.167 3.744 1.00 0.61 H new ATOM 0 HG2 ARG B 26 -21.589 -4.993 2.673 1.00 1.18 H new ATOM 0 HG3 ARG B 26 -22.474 -5.455 4.114 1.00 1.18 H new ATOM 0 HD2 ARG B 26 -21.495 -2.648 3.461 1.00 0.96 H new ATOM 0 HD3 ARG B 26 -23.145 -3.215 3.300 1.00 0.96 H new ATOM 0 HE ARG B 26 -22.180 -3.642 5.995 1.00 1.55 H new ATOM 0 HH11 ARG B 26 -23.359 -1.185 3.752 1.00 2.01 H new ATOM 0 HH12 ARG B 26 -23.970 -0.138 5.037 1.00 2.01 H new ATOM 0 HH21 ARG B 26 -22.963 -2.290 7.641 1.00 2.82 H new ATOM 0 HH22 ARG B 26 -23.746 -0.761 7.230 1.00 2.82 H new ATOM 1984 N GLU B 27 -20.161 -7.979 3.982 1.00 0.50 N ATOM 1985 CA GLU B 27 -20.523 -9.224 3.308 1.00 0.57 C ATOM 1986 C GLU B 27 -20.229 -10.417 4.217 1.00 0.80 C ATOM 1987 O GLU B 27 -19.080 -10.664 4.585 1.00 1.26 O ATOM 1988 CB GLU B 27 -19.753 -9.370 1.994 1.00 0.97 C ATOM 1989 CG GLU B 27 -20.267 -8.468 0.888 1.00 0.85 C ATOM 1990 CD GLU B 27 -21.634 -8.885 0.384 1.00 1.10 C ATOM 1991 OE1 GLU B 27 -22.644 -8.416 0.950 1.00 1.63 O ATOM 1992 OE2 GLU B 27 -21.695 -9.682 -0.575 1.00 1.79 O ATOM 0 H GLU B 27 -19.227 -7.633 3.761 1.00 0.50 H new ATOM 0 HA GLU B 27 -21.590 -9.197 3.085 1.00 0.57 H new ATOM 0 HB2 GLU B 27 -18.701 -9.149 2.172 1.00 0.97 H new ATOM 0 HB3 GLU B 27 -19.809 -10.407 1.662 1.00 0.97 H new ATOM 0 HG2 GLU B 27 -20.316 -7.442 1.254 1.00 0.85 H new ATOM 0 HG3 GLU B 27 -19.560 -8.477 0.059 1.00 0.85 H new ATOM 1999 N GLY B 28 -21.285 -11.151 4.572 1.00 1.32 N ATOM 2000 CA GLY B 28 -21.158 -12.305 5.453 1.00 1.87 C ATOM 2001 C GLY B 28 -19.902 -13.120 5.228 1.00 1.35 C ATOM 2002 O GLY B 28 -18.957 -13.040 6.012 1.00 1.58 O ATOM 0 H GLY B 28 -22.238 -10.963 4.260 1.00 1.32 H new ATOM 0 HA2 GLY B 28 -21.175 -11.962 6.488 1.00 1.87 H new ATOM 0 HA3 GLY B 28 -22.026 -12.950 5.316 1.00 1.87 H new ATOM 2006 N ARG B 29 -19.893 -13.910 4.159 1.00 1.15 N ATOM 2007 CA ARG B 29 -18.746 -14.756 3.839 1.00 1.06 C ATOM 2008 C ARG B 29 -17.430 -14.014 4.045 1.00 1.14 C ATOM 2009 O ARG B 29 -17.405 -12.788 4.160 1.00 1.74 O ATOM 2010 CB ARG B 29 -18.840 -15.253 2.389 1.00 1.38 C ATOM 2011 CG ARG B 29 -17.590 -15.976 1.891 1.00 1.76 C ATOM 2012 CD ARG B 29 -17.734 -16.408 0.443 1.00 2.36 C ATOM 2013 NE ARG B 29 -18.612 -17.567 0.301 1.00 2.88 N ATOM 2014 CZ ARG B 29 -19.085 -17.994 -0.865 1.00 3.58 C ATOM 2015 NH1 ARG B 29 -18.772 -17.355 -1.985 1.00 3.91 N ATOM 2016 NH2 ARG B 29 -19.873 -19.060 -0.913 1.00 4.30 N ATOM 0 H ARG B 29 -20.667 -13.983 3.499 1.00 1.15 H new ATOM 0 HA ARG B 29 -18.765 -15.609 4.517 1.00 1.06 H new ATOM 0 HB2 ARG B 29 -19.693 -15.925 2.302 1.00 1.38 H new ATOM 0 HB3 ARG B 29 -19.037 -14.402 1.737 1.00 1.38 H new ATOM 0 HG2 ARG B 29 -16.725 -15.320 1.991 1.00 1.76 H new ATOM 0 HG3 ARG B 29 -17.401 -16.850 2.515 1.00 1.76 H new ATOM 0 HD2 ARG B 29 -18.130 -15.580 -0.145 1.00 2.36 H new ATOM 0 HD3 ARG B 29 -16.751 -16.646 0.037 1.00 2.36 H new ATOM 0 HE ARG B 29 -18.877 -18.077 1.144 1.00 2.88 H new ATOM 0 HH11 ARG B 29 -18.167 -16.534 -1.952 1.00 3.91 H new ATOM 0 HH12 ARG B 29 -19.136 -17.685 -2.879 1.00 3.91 H new ATOM 0 HH21 ARG B 29 -20.117 -19.553 -0.054 1.00 4.30 H new ATOM 0 HH22 ARG B 29 -20.235 -19.386 -1.809 1.00 4.30 H new ATOM 2030 N LYS B 30 -16.341 -14.765 4.092 1.00 1.05 N ATOM 2031 CA LYS B 30 -15.020 -14.185 4.261 1.00 1.49 C ATOM 2032 C LYS B 30 -14.357 -14.053 2.900 1.00 1.34 C ATOM 2033 O LYS B 30 -13.248 -14.541 2.683 1.00 1.66 O ATOM 2034 CB LYS B 30 -14.152 -15.071 5.157 1.00 2.04 C ATOM 2035 CG LYS B 30 -14.886 -15.608 6.375 1.00 2.66 C ATOM 2036 CD LYS B 30 -15.342 -14.483 7.289 1.00 3.51 C ATOM 2037 CE LYS B 30 -14.167 -13.646 7.768 1.00 4.01 C ATOM 2038 NZ LYS B 30 -13.169 -14.463 8.512 1.00 4.78 N ATOM 0 H LYS B 30 -16.347 -15.782 4.015 1.00 1.05 H new ATOM 0 HA LYS B 30 -15.123 -13.206 4.729 1.00 1.49 H new ATOM 0 HB2 LYS B 30 -13.776 -15.909 4.570 1.00 2.04 H new ATOM 0 HB3 LYS B 30 -13.285 -14.500 5.488 1.00 2.04 H new ATOM 0 HG2 LYS B 30 -15.750 -16.190 6.054 1.00 2.66 H new ATOM 0 HG3 LYS B 30 -14.233 -16.284 6.926 1.00 2.66 H new ATOM 0 HD2 LYS B 30 -16.052 -13.847 6.760 1.00 3.51 H new ATOM 0 HD3 LYS B 30 -15.867 -14.900 8.148 1.00 3.51 H new ATOM 0 HE2 LYS B 30 -13.684 -13.175 6.912 1.00 4.01 H new ATOM 0 HE3 LYS B 30 -14.531 -12.844 8.410 1.00 4.01 H new ATOM 0 HZ1 LYS B 30 -12.475 -13.835 8.965 1.00 4.78 H new ATOM 0 HZ2 LYS B 30 -13.654 -15.025 9.240 1.00 4.78 H new ATOM 0 HZ3 LYS B 30 -12.680 -15.100 7.851 1.00 4.78 H new ATOM 2052 N GLY B 31 -15.052 -13.391 1.988 1.00 0.96 N ATOM 2053 CA GLY B 31 -14.528 -13.172 0.665 1.00 0.88 C ATOM 2054 C GLY B 31 -13.900 -11.829 0.566 1.00 0.81 C ATOM 2055 O GLY B 31 -12.739 -11.694 0.872 1.00 0.85 O ATOM 0 H GLY B 31 -15.980 -12.999 2.148 1.00 0.96 H new ATOM 0 HA2 GLY B 31 -13.793 -13.941 0.427 1.00 0.88 H new ATOM 0 HA3 GLY B 31 -15.330 -13.259 -0.068 1.00 0.88 H new ATOM 2059 N SER B 32 -14.624 -10.839 0.122 1.00 0.74 N ATOM 2060 CA SER B 32 -14.036 -9.525 0.008 1.00 0.71 C ATOM 2061 C SER B 32 -15.007 -8.450 0.410 1.00 0.70 C ATOM 2062 O SER B 32 -16.159 -8.714 0.756 1.00 0.75 O ATOM 2063 CB SER B 32 -13.548 -9.276 -1.418 1.00 0.69 C ATOM 2064 OG SER B 32 -14.503 -9.716 -2.369 1.00 1.09 O ATOM 0 H SER B 32 -15.601 -10.908 -0.162 1.00 0.74 H new ATOM 0 HA SER B 32 -13.185 -9.488 0.689 1.00 0.71 H new ATOM 0 HB2 SER B 32 -13.354 -8.213 -1.559 1.00 0.69 H new ATOM 0 HB3 SER B 32 -12.604 -9.797 -1.579 1.00 0.69 H new ATOM 0 HG SER B 32 -14.167 -9.544 -3.273 1.00 1.09 H new ATOM 2070 N LEU B 33 -14.522 -7.234 0.358 1.00 0.72 N ATOM 2071 CA LEU B 33 -15.335 -6.088 0.661 1.00 0.74 C ATOM 2072 C LEU B 33 -15.910 -5.601 -0.631 1.00 0.57 C ATOM 2073 O LEU B 33 -15.348 -5.859 -1.691 1.00 0.53 O ATOM 2074 CB LEU B 33 -14.516 -4.983 1.359 1.00 1.00 C ATOM 2075 CG LEU B 33 -14.407 -3.594 0.673 1.00 1.19 C ATOM 2076 CD1 LEU B 33 -13.572 -2.645 1.525 1.00 1.93 C ATOM 2077 CD2 LEU B 33 -13.823 -3.682 -0.734 1.00 1.69 C ATOM 0 H LEU B 33 -13.558 -7.014 0.106 1.00 0.72 H new ATOM 0 HA LEU B 33 -16.130 -6.361 1.355 1.00 0.74 H new ATOM 0 HB2 LEU B 33 -14.943 -4.830 2.350 1.00 1.00 H new ATOM 0 HB3 LEU B 33 -13.504 -5.362 1.503 1.00 1.00 H new ATOM 0 HG LEU B 33 -15.421 -3.206 0.580 1.00 1.19 H new ATOM 0 HD11 LEU B 33 -13.505 -1.676 1.031 1.00 1.93 H new ATOM 0 HD12 LEU B 33 -14.042 -2.523 2.501 1.00 1.93 H new ATOM 0 HD13 LEU B 33 -12.571 -3.057 1.654 1.00 1.93 H new ATOM 0 HD21 LEU B 33 -13.769 -2.684 -1.168 1.00 1.69 H new ATOM 0 HD22 LEU B 33 -12.823 -4.112 -0.686 1.00 1.69 H new ATOM 0 HD23 LEU B 33 -14.460 -4.313 -1.354 1.00 1.69 H new ATOM 2089 N ASN B 34 -17.030 -4.931 -0.569 1.00 0.57 N ATOM 2090 CA ASN B 34 -17.633 -4.465 -1.779 1.00 0.47 C ATOM 2091 C ASN B 34 -17.569 -2.954 -1.841 1.00 0.41 C ATOM 2092 O ASN B 34 -16.490 -2.374 -1.718 1.00 0.56 O ATOM 2093 CB ASN B 34 -19.056 -5.026 -1.857 1.00 0.56 C ATOM 2094 CG ASN B 34 -19.900 -4.618 -0.666 1.00 1.38 C ATOM 2095 OD1 ASN B 34 -20.612 -3.617 -0.710 1.00 2.13 O ATOM 2096 ND2 ASN B 34 -19.811 -5.389 0.410 1.00 2.12 N ATOM 0 H ASN B 34 -17.531 -4.702 0.289 1.00 0.57 H new ATOM 0 HA ASN B 34 -17.092 -4.821 -2.656 1.00 0.47 H new ATOM 0 HB2 ASN B 34 -19.532 -4.678 -2.774 1.00 0.56 H new ATOM 0 HB3 ASN B 34 -19.013 -6.114 -1.914 1.00 0.56 H new ATOM 0 HD21 ASN B 34 -20.347 -5.160 1.247 1.00 2.12 H new ATOM 0 HD22 ASN B 34 -19.206 -6.210 0.400 1.00 2.12 H new ATOM 2103 N ILE B 35 -18.689 -2.313 -2.043 1.00 0.53 N ATOM 2104 CA ILE B 35 -18.711 -0.873 -2.107 1.00 0.54 C ATOM 2105 C ILE B 35 -19.918 -0.288 -1.407 1.00 0.56 C ATOM 2106 O ILE B 35 -20.392 0.789 -1.757 1.00 0.63 O ATOM 2107 CB ILE B 35 -18.623 -0.365 -3.551 1.00 0.60 C ATOM 2108 CG1 ILE B 35 -19.550 -1.160 -4.479 1.00 0.70 C ATOM 2109 CG2 ILE B 35 -17.182 -0.453 -4.022 1.00 0.66 C ATOM 2110 CD1 ILE B 35 -19.114 -2.592 -4.698 1.00 1.04 C ATOM 0 H ILE B 35 -19.597 -2.762 -2.166 1.00 0.53 H new ATOM 0 HA ILE B 35 -17.824 -0.529 -1.575 1.00 0.54 H new ATOM 0 HB ILE B 35 -18.952 0.674 -3.581 1.00 0.60 H new ATOM 0 HG12 ILE B 35 -20.557 -1.157 -4.061 1.00 0.70 H new ATOM 0 HG13 ILE B 35 -19.603 -0.655 -5.443 1.00 0.70 H new ATOM 0 HG21 ILE B 35 -17.112 -0.093 -5.049 1.00 0.66 H new ATOM 0 HG22 ILE B 35 -16.551 0.160 -3.379 1.00 0.66 H new ATOM 0 HG23 ILE B 35 -16.847 -1.489 -3.977 1.00 0.66 H new ATOM 0 HD11 ILE B 35 -19.819 -3.089 -5.365 1.00 1.04 H new ATOM 0 HD12 ILE B 35 -18.120 -2.605 -5.145 1.00 1.04 H new ATOM 0 HD13 ILE B 35 -19.088 -3.115 -3.742 1.00 1.04 H new ATOM 2122 N ASN B 36 -20.413 -1.008 -0.415 1.00 0.59 N ATOM 2123 CA ASN B 36 -21.533 -0.536 0.371 1.00 0.63 C ATOM 2124 C ASN B 36 -21.007 0.414 1.416 1.00 0.59 C ATOM 2125 O ASN B 36 -21.329 1.601 1.403 1.00 0.59 O ATOM 2126 CB ASN B 36 -22.284 -1.690 1.028 1.00 0.70 C ATOM 2127 CG ASN B 36 -22.968 -2.604 0.028 1.00 1.34 C ATOM 2128 OD1 ASN B 36 -22.946 -3.826 0.178 1.00 2.16 O ATOM 2129 ND2 ASN B 36 -23.594 -2.021 -0.988 1.00 1.90 N ATOM 0 H ASN B 36 -20.055 -1.922 -0.137 1.00 0.59 H new ATOM 0 HA ASN B 36 -22.242 -0.028 -0.282 1.00 0.63 H new ATOM 0 HB2 ASN B 36 -21.586 -2.275 1.627 1.00 0.70 H new ATOM 0 HB3 ASN B 36 -23.031 -1.287 1.712 1.00 0.70 H new ATOM 0 HD21 ASN B 36 -24.081 -2.590 -1.681 1.00 1.90 H new ATOM 0 HD22 ASN B 36 -23.588 -1.005 -1.075 1.00 1.90 H new ATOM 2136 N GLU B 37 -20.202 -0.095 2.340 1.00 0.58 N ATOM 2137 CA GLU B 37 -19.633 0.797 3.326 1.00 0.56 C ATOM 2138 C GLU B 37 -18.538 1.636 2.689 1.00 0.50 C ATOM 2139 O GLU B 37 -18.119 2.642 3.257 1.00 0.53 O ATOM 2140 CB GLU B 37 -19.127 0.070 4.554 1.00 0.68 C ATOM 2141 CG GLU B 37 -19.952 -1.151 4.903 1.00 0.76 C ATOM 2142 CD GLU B 37 -19.552 -1.773 6.225 1.00 0.77 C ATOM 2143 OE1 GLU B 37 -20.087 -1.342 7.268 1.00 1.41 O ATOM 2144 OE2 GLU B 37 -18.704 -2.687 6.219 1.00 1.28 O ATOM 0 H GLU B 37 -19.940 -1.077 2.423 1.00 0.58 H new ATOM 0 HA GLU B 37 -20.430 1.453 3.675 1.00 0.56 H new ATOM 0 HB2 GLU B 37 -18.093 -0.232 4.390 1.00 0.68 H new ATOM 0 HB3 GLU B 37 -19.128 0.756 5.401 1.00 0.68 H new ATOM 0 HG2 GLU B 37 -21.005 -0.873 4.942 1.00 0.76 H new ATOM 0 HG3 GLU B 37 -19.847 -1.893 4.111 1.00 0.76 H new ATOM 2151 N PHE B 38 -18.062 1.231 1.500 1.00 0.47 N ATOM 2152 CA PHE B 38 -17.085 2.031 0.791 1.00 0.43 C ATOM 2153 C PHE B 38 -17.711 3.404 0.586 1.00 0.45 C ATOM 2154 O PHE B 38 -17.039 4.424 0.556 1.00 0.46 O ATOM 2155 CB PHE B 38 -16.731 1.399 -0.562 1.00 0.43 C ATOM 2156 CG PHE B 38 -15.518 1.997 -1.212 1.00 0.41 C ATOM 2157 CD1 PHE B 38 -15.504 3.321 -1.609 1.00 1.30 C ATOM 2158 CD2 PHE B 38 -14.393 1.224 -1.424 1.00 1.21 C ATOM 2159 CE1 PHE B 38 -14.385 3.867 -2.209 1.00 1.32 C ATOM 2160 CE2 PHE B 38 -13.270 1.761 -2.024 1.00 1.21 C ATOM 2161 CZ PHE B 38 -13.265 3.084 -2.417 1.00 0.46 C ATOM 0 H PHE B 38 -18.339 0.370 1.028 1.00 0.47 H new ATOM 0 HA PHE B 38 -16.159 2.099 1.362 1.00 0.43 H new ATOM 0 HB2 PHE B 38 -16.567 0.331 -0.421 1.00 0.43 H new ATOM 0 HB3 PHE B 38 -17.582 1.505 -1.235 1.00 0.43 H new ATOM 0 HD1 PHE B 38 -16.377 3.936 -1.449 1.00 1.30 H new ATOM 0 HD2 PHE B 38 -14.391 0.188 -1.117 1.00 1.21 H new ATOM 0 HE1 PHE B 38 -14.386 4.903 -2.515 1.00 1.32 H new ATOM 0 HE2 PHE B 38 -12.397 1.146 -2.185 1.00 1.21 H new ATOM 0 HZ PHE B 38 -12.388 3.506 -2.886 1.00 0.46 H new ATOM 2171 N LYS B 39 -19.042 3.405 0.486 1.00 0.49 N ATOM 2172 CA LYS B 39 -19.793 4.637 0.331 1.00 0.53 C ATOM 2173 C LYS B 39 -19.528 5.564 1.505 1.00 0.54 C ATOM 2174 O LYS B 39 -19.810 6.759 1.456 1.00 0.58 O ATOM 2175 CB LYS B 39 -21.283 4.331 0.217 1.00 0.62 C ATOM 2176 CG LYS B 39 -21.566 3.249 -0.788 1.00 0.68 C ATOM 2177 CD LYS B 39 -22.226 3.797 -2.039 1.00 0.70 C ATOM 2178 CE LYS B 39 -23.638 4.282 -1.756 1.00 1.49 C ATOM 2179 NZ LYS B 39 -24.290 4.834 -2.976 1.00 1.82 N ATOM 0 H LYS B 39 -19.616 2.562 0.510 1.00 0.49 H new ATOM 0 HA LYS B 39 -19.470 5.136 -0.583 1.00 0.53 H new ATOM 0 HB2 LYS B 39 -21.665 4.028 1.192 1.00 0.62 H new ATOM 0 HB3 LYS B 39 -21.817 5.237 -0.067 1.00 0.62 H new ATOM 0 HG2 LYS B 39 -20.634 2.751 -1.057 1.00 0.68 H new ATOM 0 HG3 LYS B 39 -22.212 2.495 -0.338 1.00 0.68 H new ATOM 0 HD2 LYS B 39 -21.630 4.619 -2.436 1.00 0.70 H new ATOM 0 HD3 LYS B 39 -22.253 3.023 -2.806 1.00 0.70 H new ATOM 0 HE2 LYS B 39 -24.234 3.457 -1.367 1.00 1.49 H new ATOM 0 HE3 LYS B 39 -23.610 5.048 -0.981 1.00 1.49 H new ATOM 0 HZ1 LYS B 39 -25.251 5.154 -2.741 1.00 1.82 H new ATOM 0 HZ2 LYS B 39 -23.735 5.638 -3.333 1.00 1.82 H new ATOM 0 HZ3 LYS B 39 -24.340 4.096 -3.707 1.00 1.82 H new ATOM 2193 N GLU B 40 -19.023 4.982 2.576 1.00 0.53 N ATOM 2194 CA GLU B 40 -18.663 5.719 3.760 1.00 0.57 C ATOM 2195 C GLU B 40 -17.295 6.374 3.565 1.00 0.55 C ATOM 2196 O GLU B 40 -16.837 7.129 4.425 1.00 0.61 O ATOM 2197 CB GLU B 40 -18.614 4.768 4.956 1.00 0.61 C ATOM 2198 CG GLU B 40 -19.860 3.919 5.118 1.00 1.09 C ATOM 2199 CD GLU B 40 -21.120 4.749 5.267 1.00 1.91 C ATOM 2200 OE1 GLU B 40 -21.743 5.078 4.236 1.00 2.42 O ATOM 2201 OE2 GLU B 40 -21.484 5.070 6.419 1.00 2.62 O ATOM 0 H GLU B 40 -18.852 3.979 2.644 1.00 0.53 H new ATOM 0 HA GLU B 40 -19.407 6.494 3.944 1.00 0.57 H new ATOM 0 HB2 GLU B 40 -17.750 4.112 4.850 1.00 0.61 H new ATOM 0 HB3 GLU B 40 -18.463 5.350 5.865 1.00 0.61 H new ATOM 0 HG2 GLU B 40 -19.962 3.263 4.253 1.00 1.09 H new ATOM 0 HG3 GLU B 40 -19.747 3.278 5.993 1.00 1.09 H new ATOM 2208 N LEU B 41 -16.643 6.094 2.426 1.00 0.50 N ATOM 2209 CA LEU B 41 -15.333 6.649 2.165 1.00 0.50 C ATOM 2210 C LEU B 41 -15.447 8.074 1.675 1.00 0.55 C ATOM 2211 O LEU B 41 -15.486 8.985 2.480 1.00 0.63 O ATOM 2212 CB LEU B 41 -14.555 5.815 1.142 1.00 0.46 C ATOM 2213 CG LEU B 41 -14.351 4.342 1.464 1.00 0.44 C ATOM 2214 CD1 LEU B 41 -13.121 3.815 0.741 1.00 0.55 C ATOM 2215 CD2 LEU B 41 -14.231 4.106 2.966 1.00 0.66 C ATOM 0 H LEU B 41 -17.007 5.492 1.687 1.00 0.50 H new ATOM 0 HA LEU B 41 -14.784 6.632 3.106 1.00 0.50 H new ATOM 0 HB2 LEU B 41 -15.072 5.884 0.185 1.00 0.46 H new ATOM 0 HB3 LEU B 41 -13.574 6.272 1.008 1.00 0.46 H new ATOM 0 HG LEU B 41 -15.229 3.798 1.117 1.00 0.44 H new ATOM 0 HD11 LEU B 41 -12.984 2.760 0.978 1.00 0.55 H new ATOM 0 HD12 LEU B 41 -13.254 3.931 -0.335 1.00 0.55 H new ATOM 0 HD13 LEU B 41 -12.243 4.376 1.061 1.00 0.55 H new ATOM 0 HD21 LEU B 41 -14.086 3.043 3.157 1.00 0.66 H new ATOM 0 HD22 LEU B 41 -13.379 4.664 3.355 1.00 0.66 H new ATOM 0 HD23 LEU B 41 -15.142 4.443 3.461 1.00 0.66 H new ATOM 2227 N ALA B 42 -15.556 8.264 0.356 1.00 0.55 N ATOM 2228 CA ALA B 42 -15.630 9.610 -0.220 1.00 0.62 C ATOM 2229 C ALA B 42 -16.522 10.512 0.611 1.00 0.68 C ATOM 2230 O ALA B 42 -16.321 11.710 0.680 1.00 0.76 O ATOM 2231 CB ALA B 42 -16.128 9.552 -1.635 1.00 0.65 C ATOM 0 H ALA B 42 -15.595 7.509 -0.328 1.00 0.55 H new ATOM 0 HA ALA B 42 -14.624 10.029 -0.218 1.00 0.62 H new ATOM 0 HB1 ALA B 42 -16.176 10.561 -2.045 1.00 0.65 H new ATOM 0 HB2 ALA B 42 -15.448 8.948 -2.236 1.00 0.65 H new ATOM 0 HB3 ALA B 42 -17.122 9.105 -1.653 1.00 0.65 H new ATOM 2237 N THR B 43 -17.503 9.908 1.248 1.00 0.65 N ATOM 2238 CA THR B 43 -18.416 10.642 2.098 1.00 0.73 C ATOM 2239 C THR B 43 -17.659 11.358 3.223 1.00 0.78 C ATOM 2240 O THR B 43 -17.707 12.581 3.340 1.00 0.85 O ATOM 2241 CB THR B 43 -19.484 9.710 2.689 1.00 0.73 C ATOM 2242 OG1 THR B 43 -18.913 8.423 2.970 1.00 0.66 O ATOM 2243 CG2 THR B 43 -20.647 9.557 1.722 1.00 0.76 C ATOM 0 H THR B 43 -17.689 8.907 1.193 1.00 0.65 H new ATOM 0 HA THR B 43 -18.913 11.392 1.482 1.00 0.73 H new ATOM 0 HB THR B 43 -19.853 10.148 3.616 1.00 0.73 H new ATOM 0 HG1 THR B 43 -18.890 7.889 2.149 1.00 0.66 H new ATOM 0 HG21 THR B 43 -21.396 8.894 2.155 1.00 0.76 H new ATOM 0 HG22 THR B 43 -21.093 10.533 1.532 1.00 0.76 H new ATOM 0 HG23 THR B 43 -20.287 9.134 0.784 1.00 0.76 H new ATOM 2251 N GLN B 44 -16.988 10.578 4.065 1.00 0.76 N ATOM 2252 CA GLN B 44 -16.182 11.117 5.165 1.00 0.84 C ATOM 2253 C GLN B 44 -14.824 11.552 4.640 1.00 0.83 C ATOM 2254 O GLN B 44 -14.211 12.500 5.133 1.00 0.92 O ATOM 2255 CB GLN B 44 -16.018 10.046 6.239 1.00 0.87 C ATOM 2256 CG GLN B 44 -17.275 9.821 7.067 1.00 1.54 C ATOM 2257 CD GLN B 44 -17.793 11.091 7.722 1.00 2.04 C ATOM 2258 OE1 GLN B 44 -18.999 11.257 7.907 1.00 2.53 O ATOM 2259 NE2 GLN B 44 -16.886 11.992 8.086 1.00 2.74 N ATOM 0 H GLN B 44 -16.985 9.560 4.008 1.00 0.76 H new ATOM 0 HA GLN B 44 -16.681 11.984 5.598 1.00 0.84 H new ATOM 0 HB2 GLN B 44 -15.732 9.107 5.764 1.00 0.87 H new ATOM 0 HB3 GLN B 44 -15.201 10.330 6.902 1.00 0.87 H new ATOM 0 HG2 GLN B 44 -18.054 9.405 6.428 1.00 1.54 H new ATOM 0 HG3 GLN B 44 -17.067 9.080 7.839 1.00 1.54 H new ATOM 0 HE21 GLN B 44 -15.896 11.817 7.915 1.00 2.74 H new ATOM 0 HE22 GLN B 44 -17.180 12.859 8.536 1.00 2.74 H new ATOM 2268 N GLN B 45 -14.364 10.822 3.644 1.00 0.79 N ATOM 2269 CA GLN B 45 -13.121 11.093 2.968 1.00 0.82 C ATOM 2270 C GLN B 45 -13.215 12.448 2.304 1.00 0.78 C ATOM 2271 O GLN B 45 -12.230 13.180 2.209 1.00 0.79 O ATOM 2272 CB GLN B 45 -12.920 10.019 1.933 1.00 0.93 C ATOM 2273 CG GLN B 45 -12.550 8.692 2.530 1.00 0.95 C ATOM 2274 CD GLN B 45 -11.080 8.431 2.365 1.00 1.37 C ATOM 2275 OE1 GLN B 45 -10.284 8.737 3.252 1.00 2.35 O ATOM 2276 NE2 GLN B 45 -10.708 7.896 1.210 1.00 1.45 N ATOM 0 H GLN B 45 -14.858 10.008 3.278 1.00 0.79 H new ATOM 0 HA GLN B 45 -12.283 11.099 3.665 1.00 0.82 H new ATOM 0 HB2 GLN B 45 -13.835 9.907 1.351 1.00 0.93 H new ATOM 0 HB3 GLN B 45 -12.138 10.331 1.241 1.00 0.93 H new ATOM 0 HG2 GLN B 45 -12.811 8.677 3.588 1.00 0.95 H new ATOM 0 HG3 GLN B 45 -13.122 7.898 2.049 1.00 0.95 H new ATOM 0 HE21 GLN B 45 -11.409 7.661 0.508 1.00 1.45 H new ATOM 0 HE22 GLN B 45 -9.721 7.720 1.024 1.00 1.45 H new ATOM 2285 N LEU B 46 -14.431 12.771 1.829 1.00 0.78 N ATOM 2286 CA LEU B 46 -14.709 14.061 1.198 1.00 0.78 C ATOM 2287 C LEU B 46 -14.011 15.132 2.003 1.00 0.74 C ATOM 2288 O LEU B 46 -13.044 15.715 1.526 1.00 0.75 O ATOM 2289 CB LEU B 46 -16.219 14.355 1.120 1.00 0.83 C ATOM 2290 CG LEU B 46 -16.873 14.259 -0.268 1.00 1.04 C ATOM 2291 CD1 LEU B 46 -18.206 14.993 -0.274 1.00 1.25 C ATOM 2292 CD2 LEU B 46 -15.958 14.818 -1.348 1.00 1.30 C ATOM 0 H LEU B 46 -15.237 12.148 1.874 1.00 0.78 H new ATOM 0 HA LEU B 46 -14.341 14.041 0.172 1.00 0.78 H new ATOM 0 HB2 LEU B 46 -16.735 13.664 1.787 1.00 0.83 H new ATOM 0 HB3 LEU B 46 -16.390 15.359 1.507 1.00 0.83 H new ATOM 0 HG LEU B 46 -17.047 13.205 -0.487 1.00 1.04 H new ATOM 0 HD11 LEU B 46 -18.659 14.917 -1.263 1.00 1.25 H new ATOM 0 HD12 LEU B 46 -18.871 14.546 0.465 1.00 1.25 H new ATOM 0 HD13 LEU B 46 -18.045 16.043 -0.028 1.00 1.25 H new ATOM 0 HD21 LEU B 46 -16.448 14.736 -2.318 1.00 1.30 H new ATOM 0 HD22 LEU B 46 -15.744 15.866 -1.137 1.00 1.30 H new ATOM 0 HD23 LEU B 46 -15.026 14.253 -1.364 1.00 1.30 H new ATOM 2304 N PRO B 47 -14.459 15.405 3.248 1.00 0.78 N ATOM 2305 CA PRO B 47 -13.754 16.366 4.055 1.00 0.80 C ATOM 2306 C PRO B 47 -12.565 15.714 4.717 1.00 0.77 C ATOM 2307 O PRO B 47 -12.647 15.135 5.800 1.00 0.82 O ATOM 2308 CB PRO B 47 -14.793 16.748 5.103 1.00 0.91 C ATOM 2309 CG PRO B 47 -15.609 15.509 5.271 1.00 0.95 C ATOM 2310 CD PRO B 47 -15.639 14.847 3.918 1.00 0.90 C ATOM 0 HA PRO B 47 -13.371 17.215 3.489 1.00 0.80 H new ATOM 0 HB2 PRO B 47 -14.323 17.047 6.040 1.00 0.91 H new ATOM 0 HB3 PRO B 47 -15.405 17.587 4.771 1.00 0.91 H new ATOM 0 HG2 PRO B 47 -15.168 14.850 6.019 1.00 0.95 H new ATOM 0 HG3 PRO B 47 -16.617 15.748 5.611 1.00 0.95 H new ATOM 0 HD2 PRO B 47 -15.581 13.762 3.999 1.00 0.90 H new ATOM 0 HD3 PRO B 47 -16.557 15.078 3.377 1.00 0.90 H new ATOM 2318 N HIS B 48 -11.470 15.823 4.017 1.00 0.73 N ATOM 2319 CA HIS B 48 -10.185 15.349 4.441 1.00 0.75 C ATOM 2320 C HIS B 48 -9.372 16.493 5.007 1.00 0.83 C ATOM 2321 O HIS B 48 -9.910 17.553 5.328 1.00 0.91 O ATOM 2322 CB HIS B 48 -9.523 14.728 3.232 1.00 0.73 C ATOM 2323 CG HIS B 48 -9.251 13.265 3.396 1.00 0.98 C ATOM 2324 ND1 HIS B 48 -8.472 12.755 4.414 1.00 1.86 N ATOM 2325 CD2 HIS B 48 -9.676 12.196 2.681 1.00 1.34 C ATOM 2326 CE1 HIS B 48 -8.430 11.439 4.319 1.00 2.02 C ATOM 2327 NE2 HIS B 48 -9.153 11.074 3.276 1.00 1.59 N ATOM 0 H HIS B 48 -11.450 16.263 3.097 1.00 0.73 H new ATOM 0 HA HIS B 48 -10.272 14.606 5.234 1.00 0.75 H new ATOM 0 HB2 HIS B 48 -10.160 14.877 2.360 1.00 0.73 H new ATOM 0 HB3 HIS B 48 -8.585 15.246 3.034 1.00 0.73 H new ATOM 0 HD2 HIS B 48 -10.308 12.221 1.806 1.00 1.34 H new ATOM 0 HE1 HIS B 48 -7.895 10.774 4.981 1.00 2.02 H new ATOM 0 HE2 HIS B 48 -9.299 10.114 2.963 1.00 1.59 H new ATOM 2336 N LEU B 49 -8.073 16.280 5.127 1.00 0.89 N ATOM 2337 CA LEU B 49 -7.187 17.347 5.530 1.00 1.00 C ATOM 2338 C LEU B 49 -6.906 18.150 4.263 1.00 0.98 C ATOM 2339 O LEU B 49 -7.547 19.168 4.002 1.00 1.02 O ATOM 2340 CB LEU B 49 -5.896 16.800 6.150 1.00 1.10 C ATOM 2341 CG LEU B 49 -6.061 16.184 7.541 1.00 1.62 C ATOM 2342 CD1 LEU B 49 -4.735 15.634 8.043 1.00 2.02 C ATOM 2343 CD2 LEU B 49 -6.618 17.211 8.515 1.00 2.44 C ATOM 0 H LEU B 49 -7.616 15.385 4.952 1.00 0.89 H new ATOM 0 HA LEU B 49 -7.639 17.970 6.302 1.00 1.00 H new ATOM 0 HB2 LEU B 49 -5.480 16.046 5.482 1.00 1.10 H new ATOM 0 HB3 LEU B 49 -5.168 17.609 6.211 1.00 1.10 H new ATOM 0 HG LEU B 49 -6.769 15.358 7.470 1.00 1.62 H new ATOM 0 HD11 LEU B 49 -4.873 15.200 9.033 1.00 2.02 H new ATOM 0 HD12 LEU B 49 -4.376 14.866 7.357 1.00 2.02 H new ATOM 0 HD13 LEU B 49 -4.004 16.441 8.099 1.00 2.02 H new ATOM 0 HD21 LEU B 49 -6.729 16.756 9.499 1.00 2.44 H new ATOM 0 HD22 LEU B 49 -5.935 18.058 8.581 1.00 2.44 H new ATOM 0 HD23 LEU B 49 -7.590 17.556 8.163 1.00 2.44 H new ATOM 2355 N LEU B 50 -5.939 17.679 3.480 1.00 0.98 N ATOM 2356 CA LEU B 50 -5.617 18.281 2.189 1.00 1.01 C ATOM 2357 C LEU B 50 -6.511 17.648 1.117 1.00 0.92 C ATOM 2358 O LEU B 50 -6.029 17.205 0.074 1.00 1.01 O ATOM 2359 CB LEU B 50 -4.140 18.084 1.840 1.00 1.11 C ATOM 2360 CG LEU B 50 -3.712 16.635 1.603 1.00 1.60 C ATOM 2361 CD1 LEU B 50 -2.811 16.541 0.380 1.00 1.97 C ATOM 2362 CD2 LEU B 50 -3.005 16.080 2.831 1.00 2.24 C ATOM 0 H LEU B 50 -5.360 16.875 3.720 1.00 0.98 H new ATOM 0 HA LEU B 50 -5.799 19.355 2.238 1.00 1.01 H new ATOM 0 HB2 LEU B 50 -3.915 18.663 0.944 1.00 1.11 H new ATOM 0 HB3 LEU B 50 -3.535 18.497 2.647 1.00 1.11 H new ATOM 0 HG LEU B 50 -4.605 16.036 1.421 1.00 1.60 H new ATOM 0 HD11 LEU B 50 -2.515 15.503 0.225 1.00 1.97 H new ATOM 0 HD12 LEU B 50 -3.350 16.900 -0.497 1.00 1.97 H new ATOM 0 HD13 LEU B 50 -1.922 17.152 0.535 1.00 1.97 H new ATOM 0 HD21 LEU B 50 -2.708 15.048 2.644 1.00 2.24 H new ATOM 0 HD22 LEU B 50 -2.120 16.680 3.044 1.00 2.24 H new ATOM 0 HD23 LEU B 50 -3.680 16.114 3.686 1.00 2.24 H new ATOM 2374 N LYS B 51 -7.813 17.616 1.384 1.00 0.85 N ATOM 2375 CA LYS B 51 -8.790 16.994 0.499 1.00 0.80 C ATOM 2376 C LYS B 51 -8.506 17.233 -0.976 1.00 0.89 C ATOM 2377 O LYS B 51 -7.855 18.205 -1.363 1.00 1.04 O ATOM 2378 CB LYS B 51 -10.189 17.504 0.851 1.00 0.95 C ATOM 2379 CG LYS B 51 -11.284 17.077 -0.129 1.00 1.24 C ATOM 2380 CD LYS B 51 -12.582 17.880 0.023 1.00 2.12 C ATOM 2381 CE LYS B 51 -12.820 18.363 1.445 1.00 2.68 C ATOM 2382 NZ LYS B 51 -14.270 18.491 1.756 1.00 3.58 N ATOM 0 H LYS B 51 -8.221 18.023 2.225 1.00 0.85 H new ATOM 0 HA LYS B 51 -8.723 15.917 0.655 1.00 0.80 H new ATOM 0 HB2 LYS B 51 -10.452 17.149 1.847 1.00 0.95 H new ATOM 0 HB3 LYS B 51 -10.164 18.593 0.897 1.00 0.95 H new ATOM 0 HG2 LYS B 51 -10.913 17.188 -1.148 1.00 1.24 H new ATOM 0 HG3 LYS B 51 -11.500 16.019 0.018 1.00 1.24 H new ATOM 0 HD2 LYS B 51 -12.551 18.740 -0.646 1.00 2.12 H new ATOM 0 HD3 LYS B 51 -13.424 17.262 -0.290 1.00 2.12 H new ATOM 0 HE2 LYS B 51 -12.359 17.667 2.146 1.00 2.68 H new ATOM 0 HE3 LYS B 51 -12.333 19.328 1.586 1.00 2.68 H new ATOM 0 HZ1 LYS B 51 -14.397 18.589 2.784 1.00 3.58 H new ATOM 0 HZ2 LYS B 51 -14.655 19.331 1.278 1.00 3.58 H new ATOM 0 HZ3 LYS B 51 -14.772 17.643 1.424 1.00 3.58 H new ATOM 2396 N ASP B 52 -9.019 16.313 -1.785 1.00 0.92 N ATOM 2397 CA ASP B 52 -8.883 16.375 -3.232 1.00 1.17 C ATOM 2398 C ASP B 52 -10.237 16.687 -3.865 1.00 1.24 C ATOM 2399 O ASP B 52 -10.300 17.300 -4.925 1.00 1.47 O ATOM 2400 CB ASP B 52 -8.339 15.054 -3.784 1.00 1.29 C ATOM 2401 CG ASP B 52 -6.881 14.834 -3.428 1.00 1.87 C ATOM 2402 OD1 ASP B 52 -6.014 15.482 -4.050 1.00 2.61 O ATOM 2403 OD2 ASP B 52 -6.605 14.011 -2.530 1.00 2.35 O ATOM 0 H ASP B 52 -9.542 15.502 -1.453 1.00 0.92 H new ATOM 0 HA ASP B 52 -8.177 17.167 -3.480 1.00 1.17 H new ATOM 0 HB2 ASP B 52 -8.934 14.228 -3.394 1.00 1.29 H new ATOM 0 HB3 ASP B 52 -8.451 15.043 -4.868 1.00 1.29 H new ATOM 2408 N VAL B 53 -11.311 16.264 -3.177 1.00 1.14 N ATOM 2409 CA VAL B 53 -12.695 16.470 -3.604 1.00 1.27 C ATOM 2410 C VAL B 53 -13.286 15.238 -4.298 1.00 1.24 C ATOM 2411 O VAL B 53 -13.363 15.132 -5.521 1.00 1.46 O ATOM 2412 CB VAL B 53 -12.881 17.766 -4.434 1.00 1.58 C ATOM 2413 CG1 VAL B 53 -12.699 17.566 -5.937 1.00 2.18 C ATOM 2414 CG2 VAL B 53 -14.240 18.385 -4.142 1.00 1.92 C ATOM 0 H VAL B 53 -11.234 15.761 -2.293 1.00 1.14 H new ATOM 0 HA VAL B 53 -13.273 16.613 -2.691 1.00 1.27 H new ATOM 0 HB VAL B 53 -12.088 18.446 -4.122 1.00 1.58 H new ATOM 0 HG11 VAL B 53 -12.844 18.516 -6.451 1.00 2.18 H new ATOM 0 HG12 VAL B 53 -11.693 17.196 -6.136 1.00 2.18 H new ATOM 0 HG13 VAL B 53 -13.430 16.843 -6.299 1.00 2.18 H new ATOM 0 HG21 VAL B 53 -14.360 19.295 -4.731 1.00 1.92 H new ATOM 0 HG22 VAL B 53 -15.026 17.677 -4.404 1.00 1.92 H new ATOM 0 HG23 VAL B 53 -14.309 18.627 -3.082 1.00 1.92 H new ATOM 2424 N GLY B 54 -13.669 14.281 -3.469 1.00 1.06 N ATOM 2425 CA GLY B 54 -14.288 13.060 -3.957 1.00 1.09 C ATOM 2426 C GLY B 54 -15.423 13.349 -4.913 1.00 1.13 C ATOM 2427 O GLY B 54 -16.573 13.505 -4.502 1.00 1.23 O ATOM 0 H GLY B 54 -13.562 14.326 -2.456 1.00 1.06 H new ATOM 0 HA2 GLY B 54 -13.538 12.447 -4.458 1.00 1.09 H new ATOM 0 HA3 GLY B 54 -14.662 12.480 -3.113 1.00 1.09 H new ATOM 2431 N SER B 55 -15.095 13.419 -6.195 1.00 1.16 N ATOM 2432 CA SER B 55 -16.080 13.705 -7.227 1.00 1.24 C ATOM 2433 C SER B 55 -17.307 12.810 -7.080 1.00 1.10 C ATOM 2434 O SER B 55 -17.191 11.601 -6.879 1.00 1.09 O ATOM 2435 CB SER B 55 -15.440 13.530 -8.598 1.00 1.40 C ATOM 2436 OG SER B 55 -16.264 14.061 -9.623 1.00 1.62 O ATOM 0 H SER B 55 -14.148 13.281 -6.547 1.00 1.16 H new ATOM 0 HA SER B 55 -16.416 14.736 -7.118 1.00 1.24 H new ATOM 0 HB2 SER B 55 -14.470 14.026 -8.615 1.00 1.40 H new ATOM 0 HB3 SER B 55 -15.260 12.471 -8.785 1.00 1.40 H new ATOM 0 HG SER B 55 -15.827 13.936 -10.491 1.00 1.62 H new ATOM 2442 N LEU B 56 -18.481 13.419 -7.182 1.00 1.15 N ATOM 2443 CA LEU B 56 -19.741 12.698 -7.042 1.00 1.10 C ATOM 2444 C LEU B 56 -19.760 11.422 -7.875 1.00 0.98 C ATOM 2445 O LEU B 56 -19.721 10.318 -7.334 1.00 0.97 O ATOM 2446 CB LEU B 56 -20.915 13.599 -7.438 1.00 1.28 C ATOM 2447 CG LEU B 56 -22.303 13.086 -7.039 1.00 2.03 C ATOM 2448 CD1 LEU B 56 -22.649 11.811 -7.793 1.00 2.61 C ATOM 2449 CD2 LEU B 56 -22.371 12.853 -5.537 1.00 2.83 C ATOM 0 H LEU B 56 -18.588 14.417 -7.362 1.00 1.15 H new ATOM 0 HA LEU B 56 -19.840 12.413 -5.995 1.00 1.10 H new ATOM 0 HB2 LEU B 56 -20.766 14.580 -6.987 1.00 1.28 H new ATOM 0 HB3 LEU B 56 -20.895 13.739 -8.519 1.00 1.28 H new ATOM 0 HG LEU B 56 -23.037 13.846 -7.307 1.00 2.03 H new ATOM 0 HD11 LEU B 56 -23.639 11.467 -7.492 1.00 2.61 H new ATOM 0 HD12 LEU B 56 -22.644 12.009 -8.865 1.00 2.61 H new ATOM 0 HD13 LEU B 56 -21.912 11.041 -7.563 1.00 2.61 H new ATOM 0 HD21 LEU B 56 -23.363 12.489 -5.270 1.00 2.83 H new ATOM 0 HD22 LEU B 56 -21.623 12.114 -5.249 1.00 2.83 H new ATOM 0 HD23 LEU B 56 -22.175 13.789 -5.014 1.00 2.83 H new ATOM 2461 N ASP B 57 -19.819 11.580 -9.192 1.00 1.00 N ATOM 2462 CA ASP B 57 -19.863 10.437 -10.099 1.00 1.01 C ATOM 2463 C ASP B 57 -18.823 9.405 -9.739 1.00 0.95 C ATOM 2464 O ASP B 57 -19.108 8.213 -9.657 1.00 0.97 O ATOM 2465 CB ASP B 57 -19.648 10.878 -11.537 1.00 1.15 C ATOM 2466 CG ASP B 57 -18.564 11.931 -11.666 1.00 1.69 C ATOM 2467 OD1 ASP B 57 -17.385 11.551 -11.830 1.00 2.19 O ATOM 2468 OD2 ASP B 57 -18.894 13.133 -11.601 1.00 2.48 O ATOM 0 H ASP B 57 -19.838 12.488 -9.657 1.00 1.00 H new ATOM 0 HA ASP B 57 -20.852 9.990 -10.000 1.00 1.01 H new ATOM 0 HB2 ASP B 57 -19.383 10.012 -12.143 1.00 1.15 H new ATOM 0 HB3 ASP B 57 -20.582 11.272 -11.936 1.00 1.15 H new ATOM 2473 N GLU B 58 -17.625 9.889 -9.506 1.00 0.94 N ATOM 2474 CA GLU B 58 -16.498 9.038 -9.151 1.00 0.95 C ATOM 2475 C GLU B 58 -16.903 8.111 -8.032 1.00 0.87 C ATOM 2476 O GLU B 58 -16.587 6.927 -8.036 1.00 0.90 O ATOM 2477 CB GLU B 58 -15.291 9.872 -8.717 1.00 0.98 C ATOM 2478 CG GLU B 58 -14.493 10.428 -9.883 1.00 1.44 C ATOM 2479 CD GLU B 58 -13.727 9.351 -10.628 1.00 1.80 C ATOM 2480 OE1 GLU B 58 -14.303 8.749 -11.559 1.00 2.29 O ATOM 2481 OE2 GLU B 58 -12.551 9.110 -10.281 1.00 2.42 O ATOM 0 H GLU B 58 -17.398 10.882 -9.555 1.00 0.94 H new ATOM 0 HA GLU B 58 -16.213 8.459 -10.030 1.00 0.95 H new ATOM 0 HB2 GLU B 58 -15.634 10.698 -8.094 1.00 0.98 H new ATOM 0 HB3 GLU B 58 -14.637 9.257 -8.099 1.00 0.98 H new ATOM 0 HG2 GLU B 58 -15.168 10.933 -10.574 1.00 1.44 H new ATOM 0 HG3 GLU B 58 -13.793 11.179 -9.515 1.00 1.44 H new ATOM 2488 N LYS B 59 -17.620 8.668 -7.075 1.00 0.81 N ATOM 2489 CA LYS B 59 -18.088 7.898 -5.953 1.00 0.76 C ATOM 2490 C LYS B 59 -19.052 6.821 -6.418 1.00 0.80 C ATOM 2491 O LYS B 59 -19.138 5.750 -5.822 1.00 0.79 O ATOM 2492 CB LYS B 59 -18.741 8.817 -4.922 1.00 0.75 C ATOM 2493 CG LYS B 59 -17.774 9.856 -4.387 1.00 0.75 C ATOM 2494 CD LYS B 59 -18.477 11.071 -3.805 1.00 1.14 C ATOM 2495 CE LYS B 59 -19.242 10.726 -2.539 1.00 1.95 C ATOM 2496 NZ LYS B 59 -20.039 11.877 -2.033 1.00 2.67 N ATOM 0 H LYS B 59 -17.888 9.652 -7.058 1.00 0.81 H new ATOM 0 HA LYS B 59 -17.239 7.406 -5.479 1.00 0.76 H new ATOM 0 HB2 LYS B 59 -19.596 9.318 -5.375 1.00 0.75 H new ATOM 0 HB3 LYS B 59 -19.123 8.219 -4.095 1.00 0.75 H new ATOM 0 HG2 LYS B 59 -17.148 9.402 -3.619 1.00 0.75 H new ATOM 0 HG3 LYS B 59 -17.111 10.176 -5.191 1.00 0.75 H new ATOM 0 HD2 LYS B 59 -17.742 11.846 -3.586 1.00 1.14 H new ATOM 0 HD3 LYS B 59 -19.164 11.483 -4.544 1.00 1.14 H new ATOM 0 HE2 LYS B 59 -19.906 9.885 -2.736 1.00 1.95 H new ATOM 0 HE3 LYS B 59 -18.541 10.405 -1.769 1.00 1.95 H new ATOM 0 HZ1 LYS B 59 -20.544 11.596 -1.168 1.00 2.67 H new ATOM 0 HZ2 LYS B 59 -19.404 12.672 -1.820 1.00 2.67 H new ATOM 0 HZ3 LYS B 59 -20.727 12.168 -2.757 1.00 2.67 H new ATOM 2510 N MET B 60 -19.769 7.114 -7.495 1.00 0.86 N ATOM 2511 CA MET B 60 -20.729 6.165 -8.047 1.00 0.92 C ATOM 2512 C MET B 60 -20.047 5.133 -8.947 1.00 0.96 C ATOM 2513 O MET B 60 -20.394 3.953 -8.922 1.00 1.01 O ATOM 2514 CB MET B 60 -21.824 6.907 -8.814 1.00 1.00 C ATOM 2515 CG MET B 60 -22.738 7.721 -7.913 1.00 1.01 C ATOM 2516 SD MET B 60 -23.818 6.688 -6.904 1.00 1.74 S ATOM 2517 CE MET B 60 -24.793 5.878 -8.169 1.00 2.31 C ATOM 0 H MET B 60 -19.705 7.997 -8.002 1.00 0.86 H new ATOM 0 HA MET B 60 -21.182 5.626 -7.215 1.00 0.92 H new ATOM 0 HB2 MET B 60 -21.361 7.570 -9.546 1.00 1.00 H new ATOM 0 HB3 MET B 60 -22.422 6.185 -9.371 1.00 1.00 H new ATOM 0 HG2 MET B 60 -22.132 8.351 -7.262 1.00 1.01 H new ATOM 0 HG3 MET B 60 -23.346 8.387 -8.525 1.00 1.01 H new ATOM 0 HE1 MET B 60 -25.752 5.574 -7.750 1.00 2.31 H new ATOM 0 HE2 MET B 60 -24.961 6.568 -8.996 1.00 2.31 H new ATOM 0 HE3 MET B 60 -24.260 4.999 -8.532 1.00 2.31 H new ATOM 2527 N LYS B 61 -19.081 5.585 -9.743 1.00 0.97 N ATOM 2528 CA LYS B 61 -18.353 4.689 -10.647 1.00 1.02 C ATOM 2529 C LYS B 61 -17.288 3.938 -9.882 1.00 0.96 C ATOM 2530 O LYS B 61 -17.225 2.711 -9.924 1.00 0.92 O ATOM 2531 CB LYS B 61 -17.696 5.449 -11.809 1.00 1.09 C ATOM 2532 CG LYS B 61 -18.177 6.879 -11.990 1.00 1.55 C ATOM 2533 CD LYS B 61 -17.700 7.471 -13.308 1.00 2.08 C ATOM 2534 CE LYS B 61 -18.251 6.702 -14.497 1.00 2.60 C ATOM 2535 NZ LYS B 61 -19.738 6.616 -14.464 1.00 3.16 N ATOM 0 H LYS B 61 -18.783 6.560 -9.783 1.00 0.97 H new ATOM 0 HA LYS B 61 -19.080 3.993 -11.066 1.00 1.02 H new ATOM 0 HB2 LYS B 61 -16.617 5.461 -11.653 1.00 1.09 H new ATOM 0 HB3 LYS B 61 -17.878 4.900 -12.733 1.00 1.09 H new ATOM 0 HG2 LYS B 61 -19.266 6.904 -11.953 1.00 1.55 H new ATOM 0 HG3 LYS B 61 -17.816 7.492 -11.164 1.00 1.55 H new ATOM 0 HD2 LYS B 61 -18.010 8.514 -13.373 1.00 2.08 H new ATOM 0 HD3 LYS B 61 -16.611 7.460 -13.340 1.00 2.08 H new ATOM 0 HE2 LYS B 61 -17.936 7.188 -15.421 1.00 2.60 H new ATOM 0 HE3 LYS B 61 -17.830 5.697 -14.506 1.00 2.60 H new ATOM 0 HZ1 LYS B 61 -20.114 6.740 -15.426 1.00 3.16 H new ATOM 0 HZ2 LYS B 61 -20.024 5.686 -14.097 1.00 3.16 H new ATOM 0 HZ3 LYS B 61 -20.115 7.362 -13.846 1.00 3.16 H new ATOM 2549 N THR B 62 -16.456 4.685 -9.168 1.00 0.99 N ATOM 2550 CA THR B 62 -15.393 4.091 -8.378 1.00 0.96 C ATOM 2551 C THR B 62 -15.938 2.947 -7.534 1.00 0.87 C ATOM 2552 O THR B 62 -15.209 2.029 -7.163 1.00 0.84 O ATOM 2553 CB THR B 62 -14.718 5.131 -7.470 1.00 1.03 C ATOM 2554 OG1 THR B 62 -14.192 6.206 -8.260 1.00 1.13 O ATOM 2555 CG2 THR B 62 -13.600 4.495 -6.660 1.00 1.05 C ATOM 0 H THR B 62 -16.499 5.703 -9.122 1.00 0.99 H new ATOM 0 HA THR B 62 -14.644 3.706 -9.070 1.00 0.96 H new ATOM 0 HB THR B 62 -15.468 5.522 -6.782 1.00 1.03 H new ATOM 0 HG1 THR B 62 -14.931 6.716 -8.652 1.00 1.13 H new ATOM 0 HG21 THR B 62 -13.136 5.250 -6.025 1.00 1.05 H new ATOM 0 HG22 THR B 62 -14.009 3.698 -6.038 1.00 1.05 H new ATOM 0 HG23 THR B 62 -12.852 4.080 -7.336 1.00 1.05 H new ATOM 2563 N LEU B 63 -17.236 3.016 -7.230 1.00 0.86 N ATOM 2564 CA LEU B 63 -17.902 1.969 -6.466 1.00 0.83 C ATOM 2565 C LEU B 63 -17.570 0.603 -7.068 1.00 0.80 C ATOM 2566 O LEU B 63 -16.694 -0.108 -6.580 1.00 0.89 O ATOM 2567 CB LEU B 63 -19.423 2.192 -6.473 1.00 0.95 C ATOM 2568 CG LEU B 63 -20.075 2.402 -5.101 1.00 0.92 C ATOM 2569 CD1 LEU B 63 -20.753 3.760 -5.034 1.00 1.05 C ATOM 2570 CD2 LEU B 63 -21.083 1.299 -4.813 1.00 1.41 C ATOM 0 H LEU B 63 -17.844 3.788 -7.503 1.00 0.86 H new ATOM 0 HA LEU B 63 -17.550 2.002 -5.435 1.00 0.83 H new ATOM 0 HB2 LEU B 63 -19.641 3.061 -7.094 1.00 0.95 H new ATOM 0 HB3 LEU B 63 -19.895 1.333 -6.950 1.00 0.95 H new ATOM 0 HG LEU B 63 -19.292 2.365 -4.343 1.00 0.92 H new ATOM 0 HD11 LEU B 63 -21.210 3.891 -4.053 1.00 1.05 H new ATOM 0 HD12 LEU B 63 -20.014 4.544 -5.197 1.00 1.05 H new ATOM 0 HD13 LEU B 63 -21.523 3.821 -5.804 1.00 1.05 H new ATOM 0 HD21 LEU B 63 -21.535 1.465 -3.835 1.00 1.41 H new ATOM 0 HD22 LEU B 63 -21.860 1.307 -5.578 1.00 1.41 H new ATOM 0 HD23 LEU B 63 -20.577 0.333 -4.819 1.00 1.41 H new ATOM 2582 N ASP B 64 -18.244 0.263 -8.159 1.00 0.78 N ATOM 2583 CA ASP B 64 -18.010 -1.007 -8.830 1.00 0.81 C ATOM 2584 C ASP B 64 -16.522 -1.206 -9.106 1.00 0.81 C ATOM 2585 O ASP B 64 -16.013 -2.325 -9.045 1.00 0.88 O ATOM 2586 CB ASP B 64 -18.800 -1.061 -10.135 1.00 0.91 C ATOM 2587 CG ASP B 64 -20.298 -1.052 -9.903 1.00 1.34 C ATOM 2588 OD1 ASP B 64 -20.861 -2.127 -9.607 1.00 2.05 O ATOM 2589 OD2 ASP B 64 -20.909 0.033 -10.016 1.00 1.96 O ATOM 0 H ASP B 64 -18.956 0.848 -8.597 1.00 0.78 H new ATOM 0 HA ASP B 64 -18.347 -1.811 -8.176 1.00 0.81 H new ATOM 0 HB2 ASP B 64 -18.526 -0.210 -10.758 1.00 0.91 H new ATOM 0 HB3 ASP B 64 -18.526 -1.961 -10.686 1.00 0.91 H new ATOM 2594 N VAL B 65 -15.830 -0.110 -9.410 1.00 0.81 N ATOM 2595 CA VAL B 65 -14.398 -0.164 -9.685 1.00 0.87 C ATOM 2596 C VAL B 65 -13.648 -0.775 -8.507 1.00 0.77 C ATOM 2597 O VAL B 65 -12.990 -1.805 -8.646 1.00 0.83 O ATOM 2598 CB VAL B 65 -13.826 1.238 -9.984 1.00 0.95 C ATOM 2599 CG1 VAL B 65 -12.318 1.180 -10.192 1.00 1.06 C ATOM 2600 CG2 VAL B 65 -14.511 1.843 -11.201 1.00 1.07 C ATOM 0 H VAL B 65 -16.237 0.823 -9.472 1.00 0.81 H new ATOM 0 HA VAL B 65 -14.262 -0.790 -10.567 1.00 0.87 H new ATOM 0 HB VAL B 65 -14.022 1.875 -9.122 1.00 0.95 H new ATOM 0 HG11 VAL B 65 -11.941 2.181 -10.401 1.00 1.06 H new ATOM 0 HG12 VAL B 65 -11.841 0.793 -9.291 1.00 1.06 H new ATOM 0 HG13 VAL B 65 -12.092 0.524 -11.033 1.00 1.06 H new ATOM 0 HG21 VAL B 65 -14.096 2.831 -11.398 1.00 1.07 H new ATOM 0 HG22 VAL B 65 -14.348 1.201 -12.067 1.00 1.07 H new ATOM 0 HG23 VAL B 65 -15.581 1.930 -11.011 1.00 1.07 H new ATOM 2610 N ASN B 66 -13.755 -0.134 -7.343 1.00 0.72 N ATOM 2611 CA ASN B 66 -13.091 -0.618 -6.134 1.00 0.67 C ATOM 2612 C ASN B 66 -13.880 -1.715 -5.430 1.00 0.56 C ATOM 2613 O ASN B 66 -13.757 -1.880 -4.216 1.00 0.57 O ATOM 2614 CB ASN B 66 -12.871 0.516 -5.141 1.00 0.81 C ATOM 2615 CG ASN B 66 -11.848 1.543 -5.601 1.00 0.82 C ATOM 2616 OD1 ASN B 66 -12.030 2.743 -5.398 1.00 1.52 O ATOM 2617 ND2 ASN B 66 -10.754 1.084 -6.201 1.00 1.10 N ATOM 0 H ASN B 66 -14.295 0.721 -7.212 1.00 0.72 H new ATOM 0 HA ASN B 66 -12.137 -1.028 -6.465 1.00 0.67 H new ATOM 0 HB2 ASN B 66 -13.821 1.019 -4.961 1.00 0.81 H new ATOM 0 HB3 ASN B 66 -12.547 0.095 -4.189 1.00 0.81 H new ATOM 0 HD21 ASN B 66 -10.031 1.734 -6.510 1.00 1.10 H new ATOM 0 HD22 ASN B 66 -10.638 0.082 -6.352 1.00 1.10 H new ATOM 2624 N GLN B 67 -14.690 -2.463 -6.165 1.00 0.63 N ATOM 2625 CA GLN B 67 -15.464 -3.539 -5.569 1.00 0.68 C ATOM 2626 C GLN B 67 -14.579 -4.412 -4.710 1.00 0.61 C ATOM 2627 O GLN B 67 -14.698 -4.448 -3.490 1.00 0.66 O ATOM 2628 CB GLN B 67 -16.076 -4.410 -6.658 1.00 0.90 C ATOM 2629 CG GLN B 67 -16.810 -5.636 -6.126 1.00 0.74 C ATOM 2630 CD GLN B 67 -15.934 -6.879 -6.112 1.00 1.20 C ATOM 2631 OE1 GLN B 67 -15.846 -7.596 -7.110 1.00 2.01 O ATOM 2632 NE2 GLN B 67 -15.287 -7.155 -4.976 1.00 1.44 N ATOM 0 H GLN B 67 -14.827 -2.345 -7.169 1.00 0.63 H new ATOM 0 HA GLN B 67 -16.249 -3.091 -4.959 1.00 0.68 H new ATOM 0 HB2 GLN B 67 -16.771 -3.808 -7.244 1.00 0.90 H new ATOM 0 HB3 GLN B 67 -15.287 -4.736 -7.336 1.00 0.90 H new ATOM 0 HG2 GLN B 67 -17.164 -5.433 -5.115 1.00 0.74 H new ATOM 0 HG3 GLN B 67 -17.691 -5.823 -6.740 1.00 0.74 H new ATOM 0 HE21 GLN B 67 -15.385 -6.537 -4.170 1.00 1.44 H new ATOM 0 HE22 GLN B 67 -14.695 -7.984 -4.914 1.00 1.44 H new ATOM 2641 N ASP B 68 -13.664 -5.084 -5.382 1.00 0.59 N ATOM 2642 CA ASP B 68 -12.747 -6.006 -4.748 1.00 0.62 C ATOM 2643 C ASP B 68 -11.580 -5.287 -4.096 1.00 0.59 C ATOM 2644 O ASP B 68 -10.660 -5.947 -3.623 1.00 0.65 O ATOM 2645 CB ASP B 68 -12.181 -6.972 -5.791 1.00 0.73 C ATOM 2646 CG ASP B 68 -13.197 -7.423 -6.814 1.00 0.97 C ATOM 2647 OD1 ASP B 68 -13.535 -6.618 -7.708 1.00 1.50 O ATOM 2648 OD2 ASP B 68 -13.656 -8.580 -6.725 1.00 1.58 O ATOM 0 H ASP B 68 -13.537 -5.003 -6.391 1.00 0.59 H new ATOM 0 HA ASP B 68 -13.308 -6.539 -3.981 1.00 0.62 H new ATOM 0 HB2 ASP B 68 -11.349 -6.491 -6.305 1.00 0.73 H new ATOM 0 HB3 ASP B 68 -11.778 -7.847 -5.282 1.00 0.73 H new ATOM 2653 N SER B 69 -11.623 -3.949 -4.021 1.00 0.56 N ATOM 2654 CA SER B 69 -10.501 -3.193 -3.464 1.00 0.58 C ATOM 2655 C SER B 69 -9.974 -3.845 -2.204 1.00 0.62 C ATOM 2656 O SER B 69 -8.785 -3.767 -1.901 1.00 0.74 O ATOM 2657 CB SER B 69 -10.892 -1.744 -3.182 1.00 0.66 C ATOM 2658 OG SER B 69 -10.611 -0.913 -4.294 1.00 1.74 O ATOM 0 H SER B 69 -12.409 -3.380 -4.334 1.00 0.56 H new ATOM 0 HA SER B 69 -9.708 -3.195 -4.212 1.00 0.58 H new ATOM 0 HB2 SER B 69 -11.954 -1.691 -2.944 1.00 0.66 H new ATOM 0 HB3 SER B 69 -10.351 -1.382 -2.308 1.00 0.66 H new ATOM 0 HG SER B 69 -10.513 -1.465 -5.098 1.00 1.74 H new ATOM 2664 N GLU B 70 -10.863 -4.490 -1.473 1.00 0.63 N ATOM 2665 CA GLU B 70 -10.452 -5.206 -0.285 1.00 0.76 C ATOM 2666 C GLU B 70 -10.641 -6.675 -0.523 1.00 0.77 C ATOM 2667 O GLU B 70 -11.420 -7.086 -1.382 1.00 0.81 O ATOM 2668 CB GLU B 70 -11.236 -4.820 0.962 1.00 0.84 C ATOM 2669 CG GLU B 70 -11.232 -5.918 2.036 1.00 1.33 C ATOM 2670 CD GLU B 70 -11.940 -5.580 3.307 1.00 2.19 C ATOM 2671 OE1 GLU B 70 -12.754 -4.636 3.319 1.00 2.87 O ATOM 2672 OE2 GLU B 70 -11.682 -6.290 4.302 1.00 2.73 O ATOM 0 H GLU B 70 -11.861 -4.532 -1.678 1.00 0.63 H new ATOM 0 HA GLU B 70 -9.409 -4.946 -0.104 1.00 0.76 H new ATOM 0 HB2 GLU B 70 -10.814 -3.907 1.382 1.00 0.84 H new ATOM 0 HB3 GLU B 70 -12.266 -4.596 0.683 1.00 0.84 H new ATOM 0 HG2 GLU B 70 -11.687 -6.815 1.615 1.00 1.33 H new ATOM 0 HG3 GLU B 70 -10.197 -6.166 2.272 1.00 1.33 H new ATOM 2679 N LEU B 71 -9.924 -7.464 0.238 1.00 0.79 N ATOM 2680 CA LEU B 71 -10.052 -8.852 0.116 1.00 0.83 C ATOM 2681 C LEU B 71 -9.909 -9.621 1.434 1.00 0.81 C ATOM 2682 O LEU B 71 -9.166 -9.240 2.325 1.00 0.86 O ATOM 2683 CB LEU B 71 -9.013 -9.266 -0.876 1.00 0.99 C ATOM 2684 CG LEU B 71 -8.862 -10.726 -1.070 1.00 0.78 C ATOM 2685 CD1 LEU B 71 -8.091 -11.403 0.056 1.00 1.89 C ATOM 2686 CD2 LEU B 71 -10.214 -11.321 -1.348 1.00 1.25 C ATOM 0 H LEU B 71 -9.254 -7.148 0.939 1.00 0.79 H new ATOM 0 HA LEU B 71 -11.063 -9.097 -0.210 1.00 0.83 H new ATOM 0 HB2 LEU B 71 -9.253 -8.812 -1.838 1.00 0.99 H new ATOM 0 HB3 LEU B 71 -8.053 -8.858 -0.562 1.00 0.99 H new ATOM 0 HG LEU B 71 -8.233 -10.911 -1.940 1.00 0.78 H new ATOM 0 HD11 LEU B 71 -8.015 -12.471 -0.146 1.00 1.89 H new ATOM 0 HD12 LEU B 71 -7.091 -10.974 0.121 1.00 1.89 H new ATOM 0 HD13 LEU B 71 -8.614 -11.248 1.000 1.00 1.89 H new ATOM 0 HD21 LEU B 71 -10.115 -12.397 -1.493 1.00 1.25 H new ATOM 0 HD22 LEU B 71 -10.877 -11.128 -0.505 1.00 1.25 H new ATOM 0 HD23 LEU B 71 -10.632 -10.871 -2.248 1.00 1.25 H new ATOM 2698 N ARG B 72 -10.716 -10.658 1.561 1.00 0.77 N ATOM 2699 CA ARG B 72 -10.646 -11.601 2.665 1.00 0.80 C ATOM 2700 C ARG B 72 -10.232 -12.963 2.080 1.00 0.69 C ATOM 2701 O ARG B 72 -9.613 -13.787 2.755 1.00 0.76 O ATOM 2702 CB ARG B 72 -11.993 -11.732 3.379 1.00 0.91 C ATOM 2703 CG ARG B 72 -12.805 -10.454 3.419 1.00 1.00 C ATOM 2704 CD ARG B 72 -11.975 -9.274 3.880 1.00 1.06 C ATOM 2705 NE ARG B 72 -10.966 -9.661 4.862 1.00 1.30 N ATOM 2706 CZ ARG B 72 -9.881 -8.945 5.122 1.00 1.18 C ATOM 2707 NH1 ARG B 72 -9.666 -7.808 4.474 1.00 1.55 N ATOM 2708 NH2 ARG B 72 -9.012 -9.364 6.030 1.00 1.42 N ATOM 0 H ARG B 72 -11.452 -10.874 0.889 1.00 0.77 H new ATOM 0 HA ARG B 72 -9.924 -11.249 3.402 1.00 0.80 H new ATOM 0 HB2 ARG B 72 -12.580 -12.506 2.884 1.00 0.91 H new ATOM 0 HB3 ARG B 72 -11.818 -12.069 4.401 1.00 0.91 H new ATOM 0 HG2 ARG B 72 -13.209 -10.249 2.428 1.00 1.00 H new ATOM 0 HG3 ARG B 72 -13.655 -10.584 4.089 1.00 1.00 H new ATOM 0 HD2 ARG B 72 -11.486 -8.817 3.020 1.00 1.06 H new ATOM 0 HD3 ARG B 72 -12.630 -8.518 4.313 1.00 1.06 H new ATOM 0 HE ARG B 72 -11.104 -10.531 5.377 1.00 1.30 H new ATOM 0 HH11 ARG B 72 -10.335 -7.485 3.776 1.00 1.55 H new ATOM 0 HH12 ARG B 72 -8.831 -7.257 4.674 1.00 1.55 H new ATOM 0 HH21 ARG B 72 -9.178 -10.238 6.529 1.00 1.42 H new ATOM 0 HH22 ARG B 72 -8.177 -8.813 6.230 1.00 1.42 H new ATOM 2722 N PHE B 73 -10.596 -13.177 0.797 1.00 0.60 N ATOM 2723 CA PHE B 73 -10.254 -14.395 0.064 1.00 0.57 C ATOM 2724 C PHE B 73 -8.975 -14.237 -0.848 1.00 0.52 C ATOM 2725 O PHE B 73 -7.886 -14.186 -0.316 1.00 0.63 O ATOM 2726 CB PHE B 73 -11.518 -14.940 -0.666 1.00 0.65 C ATOM 2727 CG PHE B 73 -11.992 -14.253 -1.938 1.00 0.59 C ATOM 2728 CD1 PHE B 73 -12.407 -12.930 -1.946 1.00 1.36 C ATOM 2729 CD2 PHE B 73 -12.030 -14.952 -3.135 1.00 1.24 C ATOM 2730 CE1 PHE B 73 -12.834 -12.315 -3.095 1.00 1.44 C ATOM 2731 CE2 PHE B 73 -12.467 -14.343 -4.298 1.00 1.32 C ATOM 2732 CZ PHE B 73 -12.868 -13.021 -4.279 1.00 0.87 C ATOM 0 H PHE B 73 -11.134 -12.506 0.249 1.00 0.60 H new ATOM 0 HA PHE B 73 -9.946 -15.159 0.778 1.00 0.57 H new ATOM 0 HB2 PHE B 73 -11.332 -15.987 -0.908 1.00 0.65 H new ATOM 0 HB3 PHE B 73 -12.343 -14.919 0.046 1.00 0.65 H new ATOM 0 HD1 PHE B 73 -12.394 -12.369 -1.023 1.00 1.36 H new ATOM 0 HD2 PHE B 73 -11.715 -15.985 -3.160 1.00 1.24 H new ATOM 0 HE1 PHE B 73 -13.143 -11.280 -3.073 1.00 1.44 H new ATOM 0 HE2 PHE B 73 -12.495 -14.902 -5.222 1.00 1.32 H new ATOM 0 HZ PHE B 73 -13.206 -12.543 -5.187 1.00 0.87 H new ATOM 2742 N SER B 74 -9.071 -14.055 -2.182 1.00 0.48 N ATOM 2743 CA SER B 74 -7.849 -14.000 -3.030 1.00 0.48 C ATOM 2744 C SER B 74 -7.639 -12.673 -3.728 1.00 0.42 C ATOM 2745 O SER B 74 -6.540 -12.383 -4.203 1.00 0.46 O ATOM 2746 CB SER B 74 -7.838 -15.103 -4.084 1.00 0.63 C ATOM 2747 OG SER B 74 -9.151 -15.441 -4.493 1.00 1.03 O ATOM 0 H SER B 74 -9.950 -13.946 -2.688 1.00 0.48 H new ATOM 0 HA SER B 74 -7.030 -14.141 -2.324 1.00 0.48 H new ATOM 0 HB2 SER B 74 -7.259 -14.777 -4.948 1.00 0.63 H new ATOM 0 HB3 SER B 74 -7.342 -15.987 -3.683 1.00 0.63 H new ATOM 0 HG SER B 74 -9.111 -16.149 -5.169 1.00 1.03 H new ATOM 2753 N GLU B 75 -8.669 -11.876 -3.800 1.00 0.43 N ATOM 2754 CA GLU B 75 -8.591 -10.556 -4.434 1.00 0.42 C ATOM 2755 C GLU B 75 -7.645 -9.572 -3.705 1.00 0.42 C ATOM 2756 O GLU B 75 -7.760 -8.361 -3.895 1.00 0.56 O ATOM 2757 CB GLU B 75 -9.994 -9.954 -4.470 1.00 0.44 C ATOM 2758 CG GLU B 75 -11.025 -10.850 -5.135 1.00 0.59 C ATOM 2759 CD GLU B 75 -10.997 -10.761 -6.647 1.00 0.93 C ATOM 2760 OE1 GLU B 75 -11.119 -9.638 -7.177 1.00 1.41 O ATOM 2761 OE2 GLU B 75 -10.861 -11.817 -7.300 1.00 1.60 O ATOM 0 H GLU B 75 -9.590 -12.107 -3.427 1.00 0.43 H new ATOM 0 HA GLU B 75 -8.181 -10.704 -5.433 1.00 0.42 H new ATOM 0 HB2 GLU B 75 -10.315 -9.740 -3.450 1.00 0.44 H new ATOM 0 HB3 GLU B 75 -9.958 -9.002 -4.999 1.00 0.44 H new ATOM 0 HG2 GLU B 75 -10.850 -11.883 -4.834 1.00 0.59 H new ATOM 0 HG3 GLU B 75 -12.019 -10.578 -4.779 1.00 0.59 H new ATOM 2768 N TYR B 76 -6.708 -10.073 -2.880 1.00 0.38 N ATOM 2769 CA TYR B 76 -5.827 -9.205 -2.138 1.00 0.38 C ATOM 2770 C TYR B 76 -5.033 -8.347 -3.093 1.00 0.39 C ATOM 2771 O TYR B 76 -4.625 -7.242 -2.773 1.00 0.42 O ATOM 2772 CB TYR B 76 -4.925 -9.995 -1.176 1.00 0.40 C ATOM 2773 CG TYR B 76 -5.433 -10.026 0.250 1.00 0.41 C ATOM 2774 CD1 TYR B 76 -6.141 -8.961 0.784 1.00 1.22 C ATOM 2775 CD2 TYR B 76 -5.232 -11.136 1.056 1.00 1.29 C ATOM 2776 CE1 TYR B 76 -6.626 -8.992 2.059 1.00 1.26 C ATOM 2777 CE2 TYR B 76 -5.720 -11.177 2.346 1.00 1.29 C ATOM 2778 CZ TYR B 76 -6.419 -10.103 2.843 1.00 0.48 C ATOM 2779 OH TYR B 76 -6.910 -10.138 4.128 1.00 0.54 O ATOM 0 H TYR B 76 -6.556 -11.069 -2.723 1.00 0.38 H new ATOM 0 HA TYR B 76 -6.430 -8.547 -1.512 1.00 0.38 H new ATOM 0 HB2 TYR B 76 -4.829 -11.018 -1.540 1.00 0.40 H new ATOM 0 HB3 TYR B 76 -3.927 -9.558 -1.187 1.00 0.40 H new ATOM 0 HD1 TYR B 76 -6.313 -8.085 0.176 1.00 1.22 H new ATOM 0 HD2 TYR B 76 -4.685 -11.982 0.668 1.00 1.29 H new ATOM 0 HE1 TYR B 76 -7.171 -8.146 2.452 1.00 1.26 H new ATOM 0 HE2 TYR B 76 -5.554 -12.048 2.962 1.00 1.29 H new ATOM 0 HH TYR B 76 -6.677 -10.994 4.544 1.00 0.54 H new ATOM 2789 N TRP B 77 -4.839 -8.849 -4.293 1.00 0.40 N ATOM 2790 CA TRP B 77 -4.157 -8.067 -5.324 1.00 0.43 C ATOM 2791 C TRP B 77 -4.883 -6.737 -5.506 1.00 0.45 C ATOM 2792 O TRP B 77 -4.374 -5.827 -6.143 1.00 0.50 O ATOM 2793 CB TRP B 77 -4.158 -8.831 -6.643 1.00 0.45 C ATOM 2794 CG TRP B 77 -5.542 -9.021 -7.177 1.00 0.45 C ATOM 2795 CD1 TRP B 77 -6.391 -8.042 -7.609 1.00 0.50 C ATOM 2796 CD2 TRP B 77 -6.255 -10.254 -7.303 1.00 0.46 C ATOM 2797 NE1 TRP B 77 -7.571 -8.593 -8.019 1.00 0.53 N ATOM 2798 CE2 TRP B 77 -7.518 -9.952 -7.840 1.00 0.51 C ATOM 2799 CE3 TRP B 77 -5.944 -11.584 -7.023 1.00 0.47 C ATOM 2800 CZ2 TRP B 77 -8.469 -10.933 -8.102 1.00 0.56 C ATOM 2801 CZ3 TRP B 77 -6.887 -12.559 -7.276 1.00 0.53 C ATOM 2802 CH2 TRP B 77 -8.138 -12.230 -7.811 1.00 0.56 C ATOM 0 H TRP B 77 -5.135 -9.780 -4.585 1.00 0.40 H new ATOM 0 HA TRP B 77 -3.126 -7.887 -5.018 1.00 0.43 H new ATOM 0 HB2 TRP B 77 -3.557 -8.292 -7.375 1.00 0.45 H new ATOM 0 HB3 TRP B 77 -3.688 -9.804 -6.499 1.00 0.45 H new ATOM 0 HD1 TRP B 77 -6.162 -6.987 -7.624 1.00 0.50 H new ATOM 0 HE1 TRP B 77 -8.365 -8.077 -8.398 1.00 0.53 H new ATOM 0 HE3 TRP B 77 -4.980 -11.847 -6.614 1.00 0.47 H new ATOM 0 HZ2 TRP B 77 -9.433 -10.681 -8.519 1.00 0.56 H new ATOM 0 HZ3 TRP B 77 -6.656 -13.591 -7.058 1.00 0.53 H new ATOM 0 HH2 TRP B 77 -8.857 -13.014 -7.998 1.00 0.56 H new ATOM 2813 N ARG B 78 -6.111 -6.658 -5.001 1.00 0.43 N ATOM 2814 CA ARG B 78 -6.879 -5.449 -5.071 1.00 0.47 C ATOM 2815 C ARG B 78 -6.340 -4.396 -4.108 1.00 0.49 C ATOM 2816 O ARG B 78 -6.265 -3.222 -4.465 1.00 0.62 O ATOM 2817 CB ARG B 78 -8.337 -5.759 -4.795 1.00 0.50 C ATOM 2818 CG ARG B 78 -8.917 -6.728 -5.790 1.00 0.61 C ATOM 2819 CD ARG B 78 -9.127 -6.074 -7.149 1.00 0.77 C ATOM 2820 NE ARG B 78 -9.938 -4.865 -7.062 1.00 1.49 N ATOM 2821 CZ ARG B 78 -10.112 -4.022 -8.075 1.00 1.76 C ATOM 2822 NH1 ARG B 78 -9.542 -4.265 -9.249 1.00 1.37 N ATOM 2823 NH2 ARG B 78 -10.856 -2.938 -7.916 1.00 2.83 N ATOM 0 H ARG B 78 -6.586 -7.432 -4.538 1.00 0.43 H new ATOM 0 HA ARG B 78 -6.794 -5.033 -6.075 1.00 0.47 H new ATOM 0 HB2 ARG B 78 -8.434 -6.172 -3.791 1.00 0.50 H new ATOM 0 HB3 ARG B 78 -8.912 -4.834 -4.816 1.00 0.50 H new ATOM 0 HG2 ARG B 78 -8.251 -7.584 -5.896 1.00 0.61 H new ATOM 0 HG3 ARG B 78 -9.868 -7.108 -5.417 1.00 0.61 H new ATOM 0 HD2 ARG B 78 -8.159 -5.829 -7.585 1.00 0.77 H new ATOM 0 HD3 ARG B 78 -9.609 -6.784 -7.821 1.00 0.77 H new ATOM 0 HE ARG B 78 -10.397 -4.655 -6.176 1.00 1.49 H new ATOM 0 HH11 ARG B 78 -8.969 -5.100 -9.375 1.00 1.37 H new ATOM 0 HH12 ARG B 78 -9.677 -3.617 -10.025 1.00 1.37 H new ATOM 0 HH21 ARG B 78 -11.296 -2.749 -7.015 1.00 2.83 H new ATOM 0 HH22 ARG B 78 -10.989 -2.292 -8.694 1.00 2.83 H new ATOM 2837 N LEU B 79 -5.942 -4.804 -2.890 1.00 0.42 N ATOM 2838 CA LEU B 79 -5.396 -3.845 -1.945 1.00 0.45 C ATOM 2839 C LEU B 79 -4.156 -3.214 -2.547 1.00 0.46 C ATOM 2840 O LEU B 79 -3.728 -2.135 -2.137 1.00 0.53 O ATOM 2841 CB LEU B 79 -5.007 -4.485 -0.608 1.00 0.53 C ATOM 2842 CG LEU B 79 -5.659 -5.807 -0.240 1.00 0.62 C ATOM 2843 CD1 LEU B 79 -5.172 -6.243 1.134 1.00 1.23 C ATOM 2844 CD2 LEU B 79 -7.165 -5.693 -0.265 1.00 0.88 C ATOM 0 H LEU B 79 -5.990 -5.766 -2.554 1.00 0.42 H new ATOM 0 HA LEU B 79 -6.173 -3.106 -1.749 1.00 0.45 H new ATOM 0 HB2 LEU B 79 -3.927 -4.633 -0.609 1.00 0.53 H new ATOM 0 HB3 LEU B 79 -5.230 -3.770 0.183 1.00 0.53 H new ATOM 0 HG LEU B 79 -5.376 -6.560 -0.976 1.00 0.62 H new ATOM 0 HD11 LEU B 79 -5.638 -7.191 1.401 1.00 1.23 H new ATOM 0 HD12 LEU B 79 -4.089 -6.364 1.115 1.00 1.23 H new ATOM 0 HD13 LEU B 79 -5.440 -5.487 1.872 1.00 1.23 H new ATOM 0 HD21 LEU B 79 -7.607 -6.653 0.002 1.00 0.88 H new ATOM 0 HD22 LEU B 79 -7.484 -4.935 0.450 1.00 0.88 H new ATOM 0 HD23 LEU B 79 -7.492 -5.409 -1.265 1.00 0.88 H new ATOM 2856 N ILE B 80 -3.581 -3.900 -3.532 1.00 0.44 N ATOM 2857 CA ILE B 80 -2.393 -3.436 -4.205 1.00 0.48 C ATOM 2858 C ILE B 80 -2.520 -1.943 -4.556 1.00 0.48 C ATOM 2859 O ILE B 80 -1.660 -1.138 -4.200 1.00 0.51 O ATOM 2860 CB ILE B 80 -2.111 -4.332 -5.451 1.00 0.52 C ATOM 2861 CG1 ILE B 80 -0.606 -4.459 -5.669 1.00 0.59 C ATOM 2862 CG2 ILE B 80 -2.777 -3.791 -6.713 1.00 0.55 C ATOM 2863 CD1 ILE B 80 -0.235 -5.365 -6.821 1.00 1.16 C ATOM 0 H ILE B 80 -3.934 -4.792 -3.879 1.00 0.44 H new ATOM 0 HA ILE B 80 -1.533 -3.524 -3.541 1.00 0.48 H new ATOM 0 HB ILE B 80 -2.540 -5.314 -5.252 1.00 0.52 H new ATOM 0 HG12 ILE B 80 -0.189 -3.468 -5.848 1.00 0.59 H new ATOM 0 HG13 ILE B 80 -0.146 -4.839 -4.757 1.00 0.59 H new ATOM 0 HG21 ILE B 80 -2.552 -4.448 -7.553 1.00 0.55 H new ATOM 0 HG22 ILE B 80 -3.856 -3.748 -6.565 1.00 0.55 H new ATOM 0 HG23 ILE B 80 -2.399 -2.790 -6.923 1.00 0.55 H new ATOM 0 HD11 ILE B 80 0.850 -5.407 -6.916 1.00 1.16 H new ATOM 0 HD12 ILE B 80 -0.622 -6.367 -6.635 1.00 1.16 H new ATOM 0 HD13 ILE B 80 -0.665 -4.975 -7.744 1.00 1.16 H new ATOM 2875 N GLY B 81 -3.600 -1.589 -5.252 1.00 0.47 N ATOM 2876 CA GLY B 81 -3.843 -0.201 -5.604 1.00 0.49 C ATOM 2877 C GLY B 81 -4.533 0.578 -4.488 1.00 0.43 C ATOM 2878 O GLY B 81 -4.714 1.791 -4.593 1.00 0.43 O ATOM 0 H GLY B 81 -4.312 -2.242 -5.578 1.00 0.47 H new ATOM 0 HA2 GLY B 81 -2.895 0.280 -5.844 1.00 0.49 H new ATOM 0 HA3 GLY B 81 -4.458 -0.161 -6.503 1.00 0.49 H new ATOM 2882 N GLU B 82 -4.924 -0.123 -3.420 1.00 0.42 N ATOM 2883 CA GLU B 82 -5.622 0.497 -2.300 1.00 0.39 C ATOM 2884 C GLU B 82 -4.670 1.193 -1.364 1.00 0.33 C ATOM 2885 O GLU B 82 -4.804 2.389 -1.099 1.00 0.34 O ATOM 2886 CB GLU B 82 -6.395 -0.534 -1.516 1.00 0.44 C ATOM 2887 CG GLU B 82 -7.520 -1.181 -2.301 1.00 0.46 C ATOM 2888 CD GLU B 82 -8.355 -0.168 -3.062 1.00 0.72 C ATOM 2889 OE1 GLU B 82 -9.222 0.477 -2.436 1.00 1.48 O ATOM 2890 OE2 GLU B 82 -8.138 -0.017 -4.283 1.00 1.39 O ATOM 0 H GLU B 82 -4.766 -1.125 -3.311 1.00 0.42 H new ATOM 0 HA GLU B 82 -6.304 1.233 -2.725 1.00 0.39 H new ATOM 0 HB2 GLU B 82 -5.708 -1.309 -1.177 1.00 0.44 H new ATOM 0 HB3 GLU B 82 -6.810 -0.063 -0.625 1.00 0.44 H new ATOM 0 HG2 GLU B 82 -7.101 -1.902 -3.003 1.00 0.46 H new ATOM 0 HG3 GLU B 82 -8.162 -1.737 -1.618 1.00 0.46 H new ATOM 2897 N LEU B 83 -3.693 0.441 -0.858 1.00 0.34 N ATOM 2898 CA LEU B 83 -2.700 1.012 0.035 1.00 0.35 C ATOM 2899 C LEU B 83 -2.043 2.194 -0.646 1.00 0.34 C ATOM 2900 O LEU B 83 -1.316 2.961 -0.023 1.00 0.41 O ATOM 2901 CB LEU B 83 -1.654 -0.025 0.440 1.00 0.43 C ATOM 2902 CG LEU B 83 -2.150 -1.104 1.402 1.00 0.50 C ATOM 2903 CD1 LEU B 83 -3.123 -2.039 0.702 1.00 1.27 C ATOM 2904 CD2 LEU B 83 -0.977 -1.879 1.978 1.00 1.31 C ATOM 0 H LEU B 83 -3.573 -0.553 -1.051 1.00 0.34 H new ATOM 0 HA LEU B 83 -3.196 1.344 0.947 1.00 0.35 H new ATOM 0 HB2 LEU B 83 -1.277 -0.509 -0.461 1.00 0.43 H new ATOM 0 HB3 LEU B 83 -0.812 0.492 0.901 1.00 0.43 H new ATOM 0 HG LEU B 83 -2.678 -0.620 2.224 1.00 0.50 H new ATOM 0 HD11 LEU B 83 -3.465 -2.800 1.403 1.00 1.27 H new ATOM 0 HD12 LEU B 83 -3.979 -1.469 0.340 1.00 1.27 H new ATOM 0 HD13 LEU B 83 -2.624 -2.519 -0.140 1.00 1.27 H new ATOM 0 HD21 LEU B 83 -1.346 -2.644 2.661 1.00 1.31 H new ATOM 0 HD22 LEU B 83 -0.422 -2.353 1.169 1.00 1.31 H new ATOM 0 HD23 LEU B 83 -0.320 -1.197 2.518 1.00 1.31 H new ATOM 2916 N ALA B 84 -2.236 2.293 -1.955 1.00 0.34 N ATOM 2917 CA ALA B 84 -1.727 3.425 -2.677 1.00 0.37 C ATOM 2918 C ALA B 84 -2.645 4.643 -2.527 1.00 0.41 C ATOM 2919 O ALA B 84 -2.165 5.767 -2.474 1.00 0.47 O ATOM 2920 CB ALA B 84 -1.546 3.086 -4.140 1.00 0.41 C ATOM 0 H ALA B 84 -2.736 1.608 -2.522 1.00 0.34 H new ATOM 0 HA ALA B 84 -0.756 3.678 -2.250 1.00 0.37 H new ATOM 0 HB1 ALA B 84 -1.160 3.957 -4.670 1.00 0.41 H new ATOM 0 HB2 ALA B 84 -0.842 2.260 -4.238 1.00 0.41 H new ATOM 0 HB3 ALA B 84 -2.506 2.797 -4.568 1.00 0.41 H new ATOM 2926 N LYS B 85 -3.970 4.431 -2.459 1.00 0.42 N ATOM 2927 CA LYS B 85 -4.915 5.556 -2.317 1.00 0.51 C ATOM 2928 C LYS B 85 -4.424 6.546 -1.277 1.00 0.50 C ATOM 2929 O LYS B 85 -4.665 7.750 -1.371 1.00 0.67 O ATOM 2930 CB LYS B 85 -6.326 5.068 -1.965 1.00 0.62 C ATOM 2931 CG LYS B 85 -6.935 4.156 -3.014 1.00 1.19 C ATOM 2932 CD LYS B 85 -7.763 3.059 -2.369 1.00 1.44 C ATOM 2933 CE LYS B 85 -8.947 3.619 -1.619 1.00 1.56 C ATOM 2934 NZ LYS B 85 -9.594 2.587 -0.761 1.00 2.69 N ATOM 0 H LYS B 85 -4.407 3.510 -2.499 1.00 0.42 H new ATOM 0 HA LYS B 85 -4.967 6.060 -3.282 1.00 0.51 H new ATOM 0 HB2 LYS B 85 -6.291 4.539 -1.013 1.00 0.62 H new ATOM 0 HB3 LYS B 85 -6.976 5.932 -1.826 1.00 0.62 H new ATOM 0 HG2 LYS B 85 -7.561 4.740 -3.689 1.00 1.19 H new ATOM 0 HG3 LYS B 85 -6.144 3.712 -3.618 1.00 1.19 H new ATOM 0 HD2 LYS B 85 -8.112 2.368 -3.136 1.00 1.44 H new ATOM 0 HD3 LYS B 85 -7.137 2.486 -1.685 1.00 1.44 H new ATOM 0 HE2 LYS B 85 -8.623 4.456 -1.000 1.00 1.56 H new ATOM 0 HE3 LYS B 85 -9.675 4.011 -2.329 1.00 1.56 H new ATOM 0 HZ1 LYS B 85 -10.622 2.746 -0.742 1.00 2.69 H new ATOM 0 HZ2 LYS B 85 -9.397 1.642 -1.147 1.00 2.69 H new ATOM 0 HZ3 LYS B 85 -9.216 2.652 0.206 1.00 2.69 H new ATOM 2948 N GLU B 86 -3.732 6.017 -0.294 1.00 0.44 N ATOM 2949 CA GLU B 86 -3.166 6.822 0.776 1.00 0.45 C ATOM 2950 C GLU B 86 -1.836 7.416 0.347 1.00 0.44 C ATOM 2951 O GLU B 86 -1.526 8.561 0.656 1.00 0.48 O ATOM 2952 CB GLU B 86 -2.951 5.979 2.030 1.00 0.48 C ATOM 2953 CG GLU B 86 -2.140 4.743 1.757 1.00 0.98 C ATOM 2954 CD GLU B 86 -1.821 3.937 2.998 1.00 2.07 C ATOM 2955 OE1 GLU B 86 -1.041 4.422 3.839 1.00 2.90 O ATOM 2956 OE2 GLU B 86 -2.344 2.810 3.122 1.00 2.60 O ATOM 0 H GLU B 86 -3.543 5.018 -0.209 1.00 0.44 H new ATOM 0 HA GLU B 86 -3.870 7.624 0.997 1.00 0.45 H new ATOM 0 HB2 GLU B 86 -2.448 6.581 2.787 1.00 0.48 H new ATOM 0 HB3 GLU B 86 -3.918 5.692 2.442 1.00 0.48 H new ATOM 0 HG2 GLU B 86 -2.683 4.111 1.054 1.00 0.98 H new ATOM 0 HG3 GLU B 86 -1.207 5.031 1.272 1.00 0.98 H new ATOM 2963 N VAL B 87 -1.058 6.623 -0.380 1.00 0.44 N ATOM 2964 CA VAL B 87 0.263 7.036 -0.826 1.00 0.46 C ATOM 2965 C VAL B 87 0.215 7.959 -2.046 1.00 0.46 C ATOM 2966 O VAL B 87 1.117 8.771 -2.251 1.00 0.54 O ATOM 2967 CB VAL B 87 1.147 5.810 -1.128 1.00 0.55 C ATOM 2968 CG1 VAL B 87 2.512 6.254 -1.596 1.00 1.01 C ATOM 2969 CG2 VAL B 87 1.270 4.929 0.107 1.00 0.81 C ATOM 0 H VAL B 87 -1.324 5.683 -0.674 1.00 0.44 H new ATOM 0 HA VAL B 87 0.701 7.605 -0.006 1.00 0.46 H new ATOM 0 HB VAL B 87 0.679 5.229 -1.922 1.00 0.55 H new ATOM 0 HG11 VAL B 87 3.127 5.379 -1.806 1.00 1.01 H new ATOM 0 HG12 VAL B 87 2.410 6.851 -2.502 1.00 1.01 H new ATOM 0 HG13 VAL B 87 2.986 6.853 -0.818 1.00 1.01 H new ATOM 0 HG21 VAL B 87 1.897 4.067 -0.122 1.00 0.81 H new ATOM 0 HG22 VAL B 87 1.721 5.501 0.918 1.00 0.81 H new ATOM 0 HG23 VAL B 87 0.280 4.587 0.410 1.00 0.81 H new ATOM 2979 N ARG B 88 -0.833 7.842 -2.846 1.00 0.49 N ATOM 2980 CA ARG B 88 -0.965 8.659 -4.045 1.00 0.51 C ATOM 2981 C ARG B 88 -0.901 10.139 -3.704 1.00 0.50 C ATOM 2982 O ARG B 88 0.066 10.820 -4.039 1.00 0.58 O ATOM 2983 CB ARG B 88 -2.274 8.333 -4.763 1.00 0.56 C ATOM 2984 CG ARG B 88 -2.242 8.645 -6.249 1.00 0.67 C ATOM 2985 CD ARG B 88 -3.545 8.258 -6.927 1.00 1.33 C ATOM 2986 NE ARG B 88 -3.509 8.514 -8.363 1.00 1.83 N ATOM 2987 CZ ARG B 88 -4.559 8.365 -9.164 1.00 2.72 C ATOM 2988 NH1 ARG B 88 -5.720 7.960 -8.669 1.00 3.25 N ATOM 2989 NH2 ARG B 88 -4.448 8.619 -10.461 1.00 3.50 N ATOM 0 H ARG B 88 -1.603 7.192 -2.689 1.00 0.49 H new ATOM 0 HA ARG B 88 -0.132 8.429 -4.709 1.00 0.51 H new ATOM 0 HB2 ARG B 88 -2.501 7.276 -4.626 1.00 0.56 H new ATOM 0 HB3 ARG B 88 -3.084 8.895 -4.299 1.00 0.56 H new ATOM 0 HG2 ARG B 88 -2.057 9.709 -6.395 1.00 0.67 H new ATOM 0 HG3 ARG B 88 -1.415 8.111 -6.716 1.00 0.67 H new ATOM 0 HD2 ARG B 88 -3.745 7.201 -6.752 1.00 1.33 H new ATOM 0 HD3 ARG B 88 -4.367 8.817 -6.479 1.00 1.33 H new ATOM 0 HE ARG B 88 -2.629 8.825 -8.775 1.00 1.83 H new ATOM 0 HH11 ARG B 88 -5.808 7.762 -7.672 1.00 3.25 H new ATOM 0 HH12 ARG B 88 -6.525 7.846 -9.285 1.00 3.25 H new ATOM 0 HH21 ARG B 88 -3.556 8.929 -10.845 1.00 3.50 H new ATOM 0 HH22 ARG B 88 -5.255 8.504 -11.074 1.00 3.50 H new ATOM 3003 N LYS B 89 -1.931 10.630 -3.031 1.00 0.47 N ATOM 3004 CA LYS B 89 -1.985 12.031 -2.639 1.00 0.49 C ATOM 3005 C LYS B 89 -0.714 12.413 -1.895 1.00 0.48 C ATOM 3006 O LYS B 89 -0.188 13.517 -2.029 1.00 0.53 O ATOM 3007 CB LYS B 89 -3.214 12.264 -1.751 1.00 0.56 C ATOM 3008 CG LYS B 89 -2.982 12.047 -0.251 1.00 0.69 C ATOM 3009 CD LYS B 89 -2.548 13.341 0.408 1.00 1.55 C ATOM 3010 CE LYS B 89 -1.699 13.077 1.633 1.00 2.46 C ATOM 3011 NZ LYS B 89 -0.609 14.072 1.767 1.00 3.29 N ATOM 0 H LYS B 89 -2.741 10.079 -2.745 1.00 0.47 H new ATOM 0 HA LYS B 89 -2.065 12.655 -3.529 1.00 0.49 H new ATOM 0 HB2 LYS B 89 -3.566 13.284 -1.905 1.00 0.56 H new ATOM 0 HB3 LYS B 89 -4.012 11.598 -2.080 1.00 0.56 H new ATOM 0 HG2 LYS B 89 -3.897 11.682 0.216 1.00 0.69 H new ATOM 0 HG3 LYS B 89 -2.221 11.282 -0.101 1.00 0.69 H new ATOM 0 HD2 LYS B 89 -1.984 13.943 -0.305 1.00 1.55 H new ATOM 0 HD3 LYS B 89 -3.427 13.920 0.690 1.00 1.55 H new ATOM 0 HE2 LYS B 89 -2.327 13.102 2.524 1.00 2.46 H new ATOM 0 HE3 LYS B 89 -1.273 12.076 1.572 1.00 2.46 H new ATOM 0 HZ1 LYS B 89 -0.079 13.891 2.643 1.00 3.29 H new ATOM 0 HZ2 LYS B 89 0.033 13.995 0.952 1.00 3.29 H new ATOM 0 HZ3 LYS B 89 -1.015 15.029 1.799 1.00 3.29 H new ATOM 3025 N GLU B 90 -0.248 11.463 -1.108 1.00 0.47 N ATOM 3026 CA GLU B 90 0.935 11.625 -0.300 1.00 0.52 C ATOM 3027 C GLU B 90 2.135 12.010 -1.156 1.00 0.56 C ATOM 3028 O GLU B 90 3.079 12.634 -0.678 1.00 0.62 O ATOM 3029 CB GLU B 90 1.180 10.316 0.445 1.00 0.56 C ATOM 3030 CG GLU B 90 0.369 10.191 1.722 1.00 0.62 C ATOM 3031 CD GLU B 90 0.777 11.221 2.762 1.00 1.24 C ATOM 3032 OE1 GLU B 90 1.997 11.411 2.960 1.00 1.93 O ATOM 3033 OE2 GLU B 90 -0.115 11.834 3.381 1.00 1.93 O ATOM 0 H GLU B 90 -0.689 10.548 -1.014 1.00 0.47 H new ATOM 0 HA GLU B 90 0.791 12.435 0.415 1.00 0.52 H new ATOM 0 HB2 GLU B 90 0.940 9.481 -0.213 1.00 0.56 H new ATOM 0 HB3 GLU B 90 2.240 10.236 0.687 1.00 0.56 H new ATOM 0 HG2 GLU B 90 -0.690 10.309 1.491 1.00 0.62 H new ATOM 0 HG3 GLU B 90 0.496 9.190 2.135 1.00 0.62 H new ATOM 3040 N LYS B 91 2.076 11.658 -2.432 1.00 0.54 N ATOM 3041 CA LYS B 91 3.155 11.958 -3.361 1.00 0.61 C ATOM 3042 C LYS B 91 3.528 13.438 -3.335 1.00 0.63 C ATOM 3043 O LYS B 91 4.704 13.790 -3.243 1.00 0.70 O ATOM 3044 CB LYS B 91 2.755 11.538 -4.778 1.00 0.62 C ATOM 3045 CG LYS B 91 1.821 12.510 -5.483 1.00 0.61 C ATOM 3046 CD LYS B 91 1.462 12.015 -6.873 1.00 0.67 C ATOM 3047 CE LYS B 91 0.612 13.023 -7.627 1.00 0.70 C ATOM 3048 NZ LYS B 91 0.356 12.592 -9.029 1.00 1.38 N ATOM 0 H LYS B 91 1.288 11.162 -2.849 1.00 0.54 H new ATOM 0 HA LYS B 91 4.033 11.392 -3.049 1.00 0.61 H new ATOM 0 HB2 LYS B 91 3.658 11.422 -5.378 1.00 0.62 H new ATOM 0 HB3 LYS B 91 2.275 10.561 -4.732 1.00 0.62 H new ATOM 0 HG2 LYS B 91 0.913 12.638 -4.894 1.00 0.61 H new ATOM 0 HG3 LYS B 91 2.296 13.489 -5.554 1.00 0.61 H new ATOM 0 HD2 LYS B 91 2.374 11.816 -7.435 1.00 0.67 H new ATOM 0 HD3 LYS B 91 0.923 11.071 -6.795 1.00 0.67 H new ATOM 0 HE2 LYS B 91 -0.338 13.157 -7.109 1.00 0.70 H new ATOM 0 HE3 LYS B 91 1.113 13.991 -7.630 1.00 0.70 H new ATOM 0 HZ1 LYS B 91 -0.227 13.306 -9.511 1.00 1.38 H new ATOM 0 HZ2 LYS B 91 1.261 12.488 -9.531 1.00 1.38 H new ATOM 0 HZ3 LYS B 91 -0.145 11.681 -9.026 1.00 1.38 H new ATOM 3062 N ALA B 92 2.522 14.296 -3.414 1.00 0.60 N ATOM 3063 CA ALA B 92 2.745 15.741 -3.436 1.00 0.65 C ATOM 3064 C ALA B 92 2.969 16.354 -2.054 1.00 0.63 C ATOM 3065 O ALA B 92 3.765 17.281 -1.916 1.00 0.69 O ATOM 3066 CB ALA B 92 1.585 16.433 -4.133 1.00 0.73 C ATOM 0 H ALA B 92 1.541 14.020 -3.464 1.00 0.60 H new ATOM 0 HA ALA B 92 3.670 15.900 -3.990 1.00 0.65 H new ATOM 0 HB1 ALA B 92 1.758 17.509 -4.146 1.00 0.73 H new ATOM 0 HB2 ALA B 92 1.504 16.066 -5.156 1.00 0.73 H new ATOM 0 HB3 ALA B 92 0.660 16.220 -3.598 1.00 0.73 H new ATOM 3072 N LEU B 93 2.279 15.859 -1.034 1.00 0.62 N ATOM 3073 CA LEU B 93 2.431 16.431 0.301 1.00 0.65 C ATOM 3074 C LEU B 93 3.676 15.928 1.010 1.00 0.59 C ATOM 3075 O LEU B 93 4.169 16.581 1.931 1.00 0.63 O ATOM 3076 CB LEU B 93 1.224 16.140 1.176 1.00 0.74 C ATOM 3077 CG LEU B 93 1.003 17.168 2.284 1.00 0.81 C ATOM 3078 CD1 LEU B 93 -0.072 18.164 1.880 1.00 1.03 C ATOM 3079 CD2 LEU B 93 0.642 16.485 3.593 1.00 0.95 C ATOM 0 H LEU B 93 1.623 15.081 -1.100 1.00 0.62 H new ATOM 0 HA LEU B 93 2.524 17.506 0.150 1.00 0.65 H new ATOM 0 HB2 LEU B 93 0.334 16.099 0.549 1.00 0.74 H new ATOM 0 HB3 LEU B 93 1.342 15.154 1.626 1.00 0.74 H new ATOM 0 HG LEU B 93 1.935 17.712 2.435 1.00 0.81 H new ATOM 0 HD11 LEU B 93 -0.216 18.889 2.681 1.00 1.03 H new ATOM 0 HD12 LEU B 93 0.236 18.683 0.972 1.00 1.03 H new ATOM 0 HD13 LEU B 93 -1.007 17.635 1.696 1.00 1.03 H new ATOM 0 HD21 LEU B 93 0.490 17.238 4.366 1.00 0.95 H new ATOM 0 HD22 LEU B 93 -0.274 15.909 3.462 1.00 0.95 H new ATOM 0 HD23 LEU B 93 1.451 15.818 3.891 1.00 0.95 H new ATOM 3091 N GLY B 94 4.183 14.767 0.599 1.00 0.53 N ATOM 3092 CA GLY B 94 5.374 14.215 1.231 1.00 0.51 C ATOM 3093 C GLY B 94 6.425 15.271 1.495 1.00 0.52 C ATOM 3094 O GLY B 94 7.014 15.320 2.575 1.00 0.57 O ATOM 0 H GLY B 94 3.794 14.201 -0.155 1.00 0.53 H new ATOM 0 HA2 GLY B 94 5.096 13.739 2.171 1.00 0.51 H new ATOM 0 HA3 GLY B 94 5.795 13.438 0.592 1.00 0.51 H new ATOM 3098 N ILE B 95 6.663 16.105 0.489 1.00 0.53 N ATOM 3099 CA ILE B 95 7.639 17.170 0.596 1.00 0.57 C ATOM 3100 C ILE B 95 7.277 18.139 1.701 1.00 0.60 C ATOM 3101 O ILE B 95 6.742 19.220 1.453 1.00 0.67 O ATOM 3102 CB ILE B 95 7.792 17.941 -0.725 1.00 0.63 C ATOM 3103 CG1 ILE B 95 6.426 18.318 -1.300 1.00 1.32 C ATOM 3104 CG2 ILE B 95 8.586 17.119 -1.708 1.00 1.13 C ATOM 3105 CD1 ILE B 95 6.506 19.248 -2.492 1.00 1.68 C ATOM 0 H ILE B 95 6.188 16.059 -0.412 1.00 0.53 H new ATOM 0 HA ILE B 95 8.591 16.694 0.834 1.00 0.57 H new ATOM 0 HB ILE B 95 8.332 18.868 -0.530 1.00 0.63 H new ATOM 0 HG12 ILE B 95 5.901 17.409 -1.594 1.00 1.32 H new ATOM 0 HG13 ILE B 95 5.831 18.792 -0.519 1.00 1.32 H new ATOM 0 HG21 ILE B 95 8.691 17.671 -2.642 1.00 1.13 H new ATOM 0 HG22 ILE B 95 9.574 16.912 -1.295 1.00 1.13 H new ATOM 0 HG23 ILE B 95 8.068 16.179 -1.898 1.00 1.13 H new ATOM 0 HD11 ILE B 95 5.500 19.472 -2.847 1.00 1.68 H new ATOM 0 HD12 ILE B 95 7.002 20.173 -2.199 1.00 1.68 H new ATOM 0 HD13 ILE B 95 7.074 18.769 -3.290 1.00 1.68 H new ATOM 3117 N ARG B 96 7.571 17.737 2.926 1.00 0.64 N ATOM 3118 CA ARG B 96 7.300 18.578 4.080 1.00 0.74 C ATOM 3119 C ARG B 96 8.321 19.711 4.123 1.00 0.82 C ATOM 3120 O ARG B 96 8.135 20.709 4.821 1.00 0.93 O ATOM 3121 CB ARG B 96 7.354 17.753 5.367 1.00 0.84 C ATOM 3122 CG ARG B 96 8.759 17.330 5.764 1.00 1.65 C ATOM 3123 CD ARG B 96 9.385 18.327 6.724 1.00 2.45 C ATOM 3124 NE ARG B 96 8.760 18.278 8.042 1.00 2.91 N ATOM 3125 CZ ARG B 96 8.921 19.216 8.971 1.00 3.85 C ATOM 3126 NH1 ARG B 96 9.679 20.274 8.720 1.00 4.47 N ATOM 3127 NH2 ARG B 96 8.325 19.095 10.149 1.00 4.48 N ATOM 0 H ARG B 96 7.996 16.836 3.147 1.00 0.64 H new ATOM 0 HA ARG B 96 6.299 19.000 3.995 1.00 0.74 H new ATOM 0 HB2 ARG B 96 6.916 18.334 6.179 1.00 0.84 H new ATOM 0 HB3 ARG B 96 6.737 16.863 5.243 1.00 0.84 H new ATOM 0 HG2 ARG B 96 8.727 16.345 6.229 1.00 1.65 H new ATOM 0 HG3 ARG B 96 9.380 17.241 4.873 1.00 1.65 H new ATOM 0 HD2 ARG B 96 10.451 18.119 6.819 1.00 2.45 H new ATOM 0 HD3 ARG B 96 9.292 19.333 6.315 1.00 2.45 H new ATOM 0 HE ARG B 96 8.166 17.479 8.263 1.00 2.91 H new ATOM 0 HH11 ARG B 96 10.139 20.369 7.814 1.00 4.47 H new ATOM 0 HH12 ARG B 96 9.803 20.993 9.432 1.00 4.47 H new ATOM 0 HH21 ARG B 96 7.742 18.281 10.344 1.00 4.48 H new ATOM 0 HH22 ARG B 96 8.450 19.816 10.860 1.00 4.48 H new ATOM 3141 N LYS B 97 9.403 19.540 3.362 1.00 0.82 N ATOM 3142 CA LYS B 97 10.456 20.529 3.280 1.00 0.94 C ATOM 3143 C LYS B 97 10.246 21.420 2.065 1.00 0.93 C ATOM 3144 O LYS B 97 10.826 21.190 1.003 1.00 0.98 O ATOM 3145 CB LYS B 97 11.813 19.831 3.193 1.00 1.07 C ATOM 3146 CG LYS B 97 11.825 18.698 2.184 1.00 1.00 C ATOM 3147 CD LYS B 97 13.204 18.121 1.981 1.00 1.56 C ATOM 3148 CE LYS B 97 13.127 16.932 1.049 1.00 1.83 C ATOM 3149 NZ LYS B 97 13.342 17.326 -0.371 1.00 2.90 N ATOM 0 H LYS B 97 9.565 18.711 2.790 1.00 0.82 H new ATOM 0 HA LYS B 97 10.431 21.150 4.175 1.00 0.94 H new ATOM 0 HB2 LYS B 97 12.576 20.561 2.922 1.00 1.07 H new ATOM 0 HB3 LYS B 97 12.080 19.440 4.175 1.00 1.07 H new ATOM 0 HG2 LYS B 97 11.150 17.910 2.519 1.00 1.00 H new ATOM 0 HG3 LYS B 97 11.442 19.061 1.230 1.00 1.00 H new ATOM 0 HD2 LYS B 97 13.868 18.879 1.565 1.00 1.56 H new ATOM 0 HD3 LYS B 97 13.626 17.818 2.939 1.00 1.56 H new ATOM 0 HE2 LYS B 97 13.875 16.194 1.339 1.00 1.83 H new ATOM 0 HE3 LYS B 97 12.153 16.454 1.150 1.00 1.83 H new ATOM 0 HZ1 LYS B 97 13.667 16.501 -0.915 1.00 2.90 H new ATOM 0 HZ2 LYS B 97 12.449 17.676 -0.773 1.00 2.90 H new ATOM 0 HZ3 LYS B 97 14.060 18.077 -0.418 1.00 2.90 H new ATOM 3163 N LYS B 98 9.407 22.434 2.227 1.00 0.96 N ATOM 3164 CA LYS B 98 9.112 23.363 1.147 1.00 1.06 C ATOM 3165 C LYS B 98 9.709 24.738 1.433 1.00 1.21 C ATOM 3166 O LYS B 98 10.876 24.966 1.051 1.00 1.61 O ATOM 3167 CB LYS B 98 7.600 23.474 0.946 1.00 1.07 C ATOM 3168 CG LYS B 98 6.958 22.205 0.402 1.00 1.07 C ATOM 3169 CD LYS B 98 5.451 22.357 0.281 1.00 1.52 C ATOM 3170 CE LYS B 98 4.798 21.070 -0.197 1.00 2.00 C ATOM 3171 NZ LYS B 98 3.315 21.191 -0.255 1.00 2.73 N ATOM 3172 OXT LYS B 98 9.004 25.574 2.036 1.00 1.70 O ATOM 0 H LYS B 98 8.918 22.634 3.099 1.00 0.96 H new ATOM 0 HA LYS B 98 9.564 22.979 0.232 1.00 1.06 H new ATOM 0 HB2 LYS B 98 7.134 23.726 1.898 1.00 1.07 H new ATOM 0 HB3 LYS B 98 7.393 24.297 0.262 1.00 1.07 H new ATOM 0 HG2 LYS B 98 7.382 21.970 -0.575 1.00 1.07 H new ATOM 0 HG3 LYS B 98 7.190 21.367 1.060 1.00 1.07 H new ATOM 0 HD2 LYS B 98 5.034 22.641 1.247 1.00 1.52 H new ATOM 0 HD3 LYS B 98 5.220 23.164 -0.415 1.00 1.52 H new ATOM 0 HE2 LYS B 98 5.181 20.813 -1.185 1.00 2.00 H new ATOM 0 HE3 LYS B 98 5.070 20.254 0.472 1.00 2.00 H new ATOM 0 HZ1 LYS B 98 2.906 20.294 -0.585 1.00 2.73 H new ATOM 0 HZ2 LYS B 98 2.947 21.411 0.693 1.00 2.73 H new ATOM 0 HZ3 LYS B 98 3.054 21.953 -0.913 1.00 2.73 H new