USER MOD reduce.3.24.130724 H: found=0, std=0, add=943, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 943 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: A 84 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 85 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 59 SER OG : rot -81:sc= 0.472 USER MOD Set 2.2: A 60 ASN : amide:sc= 0.436 K(o=0.91,f=-0.36) USER MOD Set 3.1: A 1 MET CE :methyl -152:sc= 0 (180deg=-0.808) USER MOD Set 3.2: A 53 LYS NZ :NH3+ 153:sc= 1.97 (180deg=0.433!) USER MOD Set 4.1: A 10 ASN : amide:sc= -1.17 K(o=-0.83,f=-7.4!) USER MOD Set 4.2: A 12 LYS NZ :NH3+ -151:sc= 0.335 (180deg=0.258) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 30:sc= -0.0611 USER MOD Single : A 9 SER OG : rot 180:sc= 0.313 USER MOD Single : A 13 LYS NZ :NH3+ 158:sc= -0.0551 (180deg=-0.451) USER MOD Single : A 20 LYS NZ :NH3+ -163:sc= 1.29 (180deg=1.18) USER MOD Single : A 21 MET CE :methyl -149:sc= -0.253 (180deg=-0.859) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 31 THR OG1 : rot 36:sc= 0.091 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= -1.28 USER MOD Single : A 39 LYS NZ :NH3+ 154:sc= 1.03 (180deg=0.562) USER MOD Single : A 40 LYS NZ :NH3+ -161:sc= 1.04 (180deg=0.77) USER MOD Single : A 41 TYR OH : rot -129:sc= 0.789 USER MOD Single : A 47 LYS NZ :NH3+ -122:sc= 0.551 (180deg=-0.105!) USER MOD Single : A 49 SER OG : rot 28:sc= 0.0576 USER MOD Single : A 50 GLN :FLIP amide:sc= 0 F(o=-0.82,f=0) USER MOD Single : A 51 ASN : amide:sc= 0.319 X(o=0.32,f=-0.036) USER MOD Single : A 66 LYS NZ :NH3+ 177:sc= -3.42! (180deg=-3.54!) USER MOD Single : A 68 LYS NZ :NH3+ 138:sc= 0.154 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 73 LYS NZ :NH3+ -107:sc= 0.921 (180deg=0.0459) USER MOD Single : A 74 MET CE :methyl 169:sc= -1.47 (180deg=-1.94) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -125:sc= 1.06 (180deg=-0.537!) USER MOD Single : A 90 LYS NZ :NH3+ -125:sc= -0.468 (180deg=-1.86!) USER MOD Single : A 94 LYS NZ :NH3+ 143:sc= 1.24 (180deg=0.179) USER MOD Single : A 97 SER OG : rot -35:sc= 1.24 USER MOD Single : A 102 SER OG : rot 40:sc= 0.617 USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 106 HIS : no HD1:sc= -0.683 K(o=-0.68,f=-1.6) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 108 HIS : no HD1:sc= -0.239 X(o=-0.24,f=0) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 HIS : no HE2:sc= -0.423 K(o=-0.42,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.601 16.594 5.012 1.00 53.50 N ATOM 2 CA MET A 1 -1.149 15.453 4.228 1.00 14.24 C ATOM 3 C MET A 1 -0.401 14.153 4.574 1.00 44.21 C ATOM 4 O MET A 1 0.803 14.044 4.343 1.00 41.42 O ATOM 5 CB MET A 1 -1.028 15.747 2.721 1.00 45.40 C ATOM 6 CG MET A 1 -2.038 15.001 1.858 1.00 41.21 C ATOM 7 SD MET A 1 -3.718 15.610 2.107 1.00 10.32 S ATOM 8 CE MET A 1 -4.653 14.526 1.030 1.00 73.11 C ATOM 0 H1 MET A 1 -1.117 17.463 4.767 1.00 53.50 H new ATOM 0 H2 MET A 1 -0.711 16.401 6.028 1.00 53.50 H new ATOM 0 H3 MET A 1 0.408 16.715 4.790 1.00 53.50 H new ATOM 0 HA MET A 1 -2.201 15.326 4.484 1.00 14.24 H new ATOM 0 HB2 MET A 1 -1.150 16.818 2.560 1.00 45.40 H new ATOM 0 HB3 MET A 1 -0.022 15.487 2.391 1.00 45.40 H new ATOM 0 HG2 MET A 1 -1.766 15.107 0.808 1.00 41.21 H new ATOM 0 HG3 MET A 1 -1.999 13.937 2.092 1.00 41.21 H new ATOM 0 HE1 MET A 1 -5.550 15.041 0.686 1.00 73.11 H new ATOM 0 HE2 MET A 1 -4.041 14.250 0.171 1.00 73.11 H new ATOM 0 HE3 MET A 1 -4.938 13.627 1.577 1.00 73.11 H new ATOM 20 N LEU A 2 -1.108 13.168 5.128 1.00 32.14 N ATOM 21 CA LEU A 2 -0.480 11.899 5.530 1.00 32.41 C ATOM 22 C LEU A 2 -0.383 10.917 4.349 1.00 61.41 C ATOM 23 O LEU A 2 -1.381 10.609 3.704 1.00 14.44 O ATOM 24 CB LEU A 2 -1.247 11.242 6.692 1.00 33.04 C ATOM 25 CG LEU A 2 -1.311 12.052 8.002 1.00 72.44 C ATOM 26 CD1 LEU A 2 -2.346 13.169 7.910 1.00 12.32 C ATOM 27 CD2 LEU A 2 -1.601 11.137 9.191 1.00 44.21 C ATOM 0 H LEU A 2 -2.110 13.219 5.310 1.00 32.14 H new ATOM 0 HA LEU A 2 0.530 12.136 5.865 1.00 32.41 H new ATOM 0 HB2 LEU A 2 -2.266 11.042 6.361 1.00 33.04 H new ATOM 0 HB3 LEU A 2 -0.786 10.278 6.906 1.00 33.04 H new ATOM 0 HG LEU A 2 -0.336 12.514 8.158 1.00 72.44 H new ATOM 0 HD11 LEU A 2 -2.368 13.723 8.849 1.00 12.32 H new ATOM 0 HD12 LEU A 2 -2.081 13.844 7.097 1.00 12.32 H new ATOM 0 HD13 LEU A 2 -3.329 12.739 7.719 1.00 12.32 H new ATOM 0 HD21 LEU A 2 -1.642 11.730 10.105 1.00 44.21 H new ATOM 0 HD22 LEU A 2 -2.557 10.637 9.040 1.00 44.21 H new ATOM 0 HD23 LEU A 2 -0.811 10.391 9.277 1.00 44.21 H new ATOM 39 N LEU A 3 0.827 10.425 4.078 1.00 64.11 N ATOM 40 CA LEU A 3 1.061 9.479 2.975 1.00 2.52 C ATOM 41 C LEU A 3 1.638 8.148 3.494 1.00 32.21 C ATOM 42 O LEU A 3 2.748 8.109 4.030 1.00 22.32 O ATOM 43 CB LEU A 3 2.025 10.094 1.948 1.00 53.33 C ATOM 44 CG LEU A 3 1.553 11.406 1.295 1.00 62.13 C ATOM 45 CD1 LEU A 3 2.629 11.964 0.364 1.00 63.14 C ATOM 46 CD2 LEU A 3 0.244 11.197 0.537 1.00 41.01 C ATOM 0 H LEU A 3 1.666 10.664 4.607 1.00 64.11 H new ATOM 0 HA LEU A 3 0.102 9.275 2.499 1.00 2.52 H new ATOM 0 HB2 LEU A 3 2.981 10.277 2.438 1.00 53.33 H new ATOM 0 HB3 LEU A 3 2.205 9.362 1.161 1.00 53.33 H new ATOM 0 HG LEU A 3 1.375 12.132 2.088 1.00 62.13 H new ATOM 0 HD11 LEU A 3 2.275 12.891 -0.087 1.00 63.14 H new ATOM 0 HD12 LEU A 3 3.537 12.161 0.934 1.00 63.14 H new ATOM 0 HD13 LEU A 3 2.844 11.238 -0.420 1.00 63.14 H new ATOM 0 HD21 LEU A 3 -0.069 12.138 0.085 1.00 41.01 H new ATOM 0 HD22 LEU A 3 0.391 10.450 -0.243 1.00 41.01 H new ATOM 0 HD23 LEU A 3 -0.526 10.853 1.228 1.00 41.01 H new ATOM 58 N TYR A 4 0.884 7.059 3.331 1.00 14.05 N ATOM 59 CA TYR A 4 1.319 5.729 3.795 1.00 3.11 C ATOM 60 C TYR A 4 1.303 4.699 2.657 1.00 50.12 C ATOM 61 O TYR A 4 0.615 4.879 1.653 1.00 33.40 O ATOM 62 CB TYR A 4 0.421 5.244 4.942 1.00 11.24 C ATOM 63 CG TYR A 4 0.504 6.106 6.187 1.00 14.13 C ATOM 64 CD1 TYR A 4 1.554 5.961 7.085 1.00 63.24 C ATOM 65 CD2 TYR A 4 -0.464 7.066 6.461 1.00 24.45 C ATOM 66 CE1 TYR A 4 1.634 6.742 8.220 1.00 1.44 C ATOM 67 CE2 TYR A 4 -0.388 7.850 7.594 1.00 23.34 C ATOM 68 CZ TYR A 4 0.661 7.686 8.469 1.00 62.04 C ATOM 69 OH TYR A 4 0.739 8.470 9.595 1.00 60.51 O ATOM 0 H TYR A 4 -0.032 7.066 2.882 1.00 14.05 H new ATOM 0 HA TYR A 4 2.345 5.827 4.151 1.00 3.11 H new ATOM 0 HB2 TYR A 4 -0.613 5.218 4.597 1.00 11.24 H new ATOM 0 HB3 TYR A 4 0.696 4.221 5.200 1.00 11.24 H new ATOM 0 HD1 TYR A 4 2.320 5.225 6.892 1.00 63.24 H new ATOM 0 HD2 TYR A 4 -1.288 7.200 5.776 1.00 24.45 H new ATOM 0 HE1 TYR A 4 2.455 6.614 8.910 1.00 1.44 H new ATOM 0 HE2 TYR A 4 -1.149 8.590 7.793 1.00 23.34 H new ATOM 0 HH TYR A 4 1.679 8.600 9.839 1.00 60.51 H new ATOM 79 N VAL A 5 2.060 3.615 2.827 1.00 64.33 N ATOM 80 CA VAL A 5 2.147 2.556 1.814 1.00 31.34 C ATOM 81 C VAL A 5 1.889 1.164 2.424 1.00 4.41 C ATOM 82 O VAL A 5 2.600 0.732 3.329 1.00 44.44 O ATOM 83 CB VAL A 5 3.538 2.553 1.123 1.00 64.21 C ATOM 84 CG1 VAL A 5 3.629 1.449 0.070 1.00 13.43 C ATOM 85 CG2 VAL A 5 3.838 3.918 0.501 1.00 43.01 C ATOM 0 H VAL A 5 2.625 3.444 3.659 1.00 64.33 H new ATOM 0 HA VAL A 5 1.375 2.768 1.074 1.00 31.34 H new ATOM 0 HB VAL A 5 4.289 2.351 1.887 1.00 64.21 H new ATOM 0 HG11 VAL A 5 4.614 1.472 -0.397 1.00 13.43 H new ATOM 0 HG12 VAL A 5 3.474 0.480 0.545 1.00 13.43 H new ATOM 0 HG13 VAL A 5 2.864 1.607 -0.690 1.00 13.43 H new ATOM 0 HG21 VAL A 5 4.817 3.893 0.023 1.00 43.01 H new ATOM 0 HG22 VAL A 5 3.077 4.154 -0.243 1.00 43.01 H new ATOM 0 HG23 VAL A 5 3.834 4.681 1.279 1.00 43.01 H new ATOM 95 N LEU A 6 0.872 0.467 1.920 1.00 54.14 N ATOM 96 CA LEU A 6 0.582 -0.913 2.332 1.00 21.14 C ATOM 97 C LEU A 6 0.960 -1.903 1.221 1.00 60.04 C ATOM 98 O LEU A 6 0.307 -1.964 0.178 1.00 72.00 O ATOM 99 CB LEU A 6 -0.908 -1.074 2.677 1.00 33.34 C ATOM 100 CG LEU A 6 -1.408 -0.247 3.873 1.00 73.14 C ATOM 101 CD1 LEU A 6 -2.903 -0.479 4.100 1.00 40.13 C ATOM 102 CD2 LEU A 6 -0.611 -0.581 5.132 1.00 33.12 C ATOM 0 H LEU A 6 0.228 0.836 1.220 1.00 54.14 H new ATOM 0 HA LEU A 6 1.179 -1.129 3.218 1.00 21.14 H new ATOM 0 HB2 LEU A 6 -1.496 -0.804 1.800 1.00 33.34 H new ATOM 0 HB3 LEU A 6 -1.104 -2.127 2.880 1.00 33.34 H new ATOM 0 HG LEU A 6 -1.257 0.808 3.646 1.00 73.14 H new ATOM 0 HD11 LEU A 6 -3.238 0.115 4.950 1.00 40.13 H new ATOM 0 HD12 LEU A 6 -3.457 -0.182 3.209 1.00 40.13 H new ATOM 0 HD13 LEU A 6 -3.081 -1.535 4.302 1.00 40.13 H new ATOM 0 HD21 LEU A 6 -0.981 0.015 5.966 1.00 33.12 H new ATOM 0 HD22 LEU A 6 -0.725 -1.640 5.364 1.00 33.12 H new ATOM 0 HD23 LEU A 6 0.443 -0.357 4.966 1.00 33.12 H new ATOM 114 N ILE A 7 2.016 -2.676 1.445 1.00 72.31 N ATOM 115 CA ILE A 7 2.478 -3.649 0.451 1.00 72.21 C ATOM 116 C ILE A 7 2.050 -5.079 0.817 1.00 53.04 C ATOM 117 O ILE A 7 2.451 -5.622 1.849 1.00 70.03 O ATOM 118 CB ILE A 7 4.020 -3.583 0.268 1.00 32.20 C ATOM 119 CG1 ILE A 7 4.492 -4.641 -0.747 1.00 73.41 C ATOM 120 CG2 ILE A 7 4.743 -3.744 1.607 1.00 23.15 C ATOM 121 CD1 ILE A 7 5.984 -4.610 -1.017 1.00 22.04 C ATOM 0 H ILE A 7 2.570 -2.652 2.301 1.00 72.31 H new ATOM 0 HA ILE A 7 2.006 -3.384 -0.495 1.00 72.21 H new ATOM 0 HB ILE A 7 4.272 -2.598 -0.126 1.00 32.20 H new ATOM 0 HG12 ILE A 7 4.220 -5.630 -0.379 1.00 73.41 H new ATOM 0 HG13 ILE A 7 3.959 -4.492 -1.686 1.00 73.41 H new ATOM 0 HG21 ILE A 7 5.820 -3.694 1.447 1.00 23.15 H new ATOM 0 HG22 ILE A 7 4.439 -2.945 2.283 1.00 23.15 H new ATOM 0 HG23 ILE A 7 4.486 -4.708 2.046 1.00 23.15 H new ATOM 0 HD11 ILE A 7 6.239 -5.384 -1.741 1.00 22.04 H new ATOM 0 HD12 ILE A 7 6.261 -3.634 -1.416 1.00 22.04 H new ATOM 0 HD13 ILE A 7 6.526 -4.790 -0.088 1.00 22.04 H new ATOM 133 N ILE A 8 1.210 -5.678 -0.024 1.00 51.43 N ATOM 134 CA ILE A 8 0.780 -7.063 0.174 1.00 52.03 C ATOM 135 C ILE A 8 1.585 -8.009 -0.729 1.00 60.24 C ATOM 136 O ILE A 8 1.326 -8.112 -1.931 1.00 71.52 O ATOM 137 CB ILE A 8 -0.731 -7.225 -0.143 1.00 14.43 C ATOM 138 CG1 ILE A 8 -1.562 -6.198 0.648 1.00 12.13 C ATOM 139 CG2 ILE A 8 -1.200 -8.649 0.159 1.00 34.33 C ATOM 140 CD1 ILE A 8 -3.043 -6.226 0.330 1.00 44.35 C ATOM 0 H ILE A 8 0.813 -5.228 -0.849 1.00 51.43 H new ATOM 0 HA ILE A 8 0.955 -7.318 1.219 1.00 52.03 H new ATOM 0 HB ILE A 8 -0.879 -7.039 -1.207 1.00 14.43 H new ATOM 0 HG12 ILE A 8 -1.426 -6.380 1.714 1.00 12.13 H new ATOM 0 HG13 ILE A 8 -1.176 -5.199 0.444 1.00 12.13 H new ATOM 0 HG21 ILE A 8 -2.262 -8.739 -0.071 1.00 34.33 H new ATOM 0 HG22 ILE A 8 -0.636 -9.355 -0.451 1.00 34.33 H new ATOM 0 HG23 ILE A 8 -1.037 -8.870 1.214 1.00 34.33 H new ATOM 0 HD11 ILE A 8 -3.558 -5.474 0.928 1.00 44.35 H new ATOM 0 HD12 ILE A 8 -3.192 -6.013 -0.728 1.00 44.35 H new ATOM 0 HD13 ILE A 8 -3.446 -7.212 0.562 1.00 44.35 H new ATOM 152 N SER A 9 2.560 -8.696 -0.144 1.00 1.23 N ATOM 153 CA SER A 9 3.406 -9.637 -0.889 1.00 14.42 C ATOM 154 C SER A 9 4.134 -10.598 0.051 1.00 15.11 C ATOM 155 O SER A 9 4.289 -10.321 1.244 1.00 51.40 O ATOM 156 CB SER A 9 4.438 -8.889 -1.747 1.00 32.12 C ATOM 157 OG SER A 9 5.297 -9.797 -2.423 1.00 44.21 O ATOM 0 H SER A 9 2.789 -8.622 0.847 1.00 1.23 H new ATOM 0 HA SER A 9 2.747 -10.212 -1.539 1.00 14.42 H new ATOM 0 HB2 SER A 9 3.924 -8.261 -2.474 1.00 32.12 H new ATOM 0 HB3 SER A 9 5.029 -8.227 -1.115 1.00 32.12 H new ATOM 0 HG SER A 9 5.943 -9.296 -2.963 1.00 44.21 H new ATOM 163 N ASN A 10 4.576 -11.724 -0.494 1.00 12.34 N ATOM 164 CA ASN A 10 5.381 -12.694 0.253 1.00 53.31 C ATOM 165 C ASN A 10 6.831 -12.693 -0.278 1.00 14.53 C ATOM 166 O ASN A 10 7.733 -13.272 0.330 1.00 2.44 O ATOM 167 CB ASN A 10 4.748 -14.091 0.127 1.00 31.41 C ATOM 168 CG ASN A 10 5.225 -15.077 1.184 1.00 30.55 C ATOM 169 OD1 ASN A 10 6.356 -15.025 1.650 1.00 24.42 O ATOM 170 ND2 ASN A 10 4.353 -15.983 1.577 1.00 1.34 N ATOM 0 H ASN A 10 4.391 -11.994 -1.460 1.00 12.34 H new ATOM 0 HA ASN A 10 5.405 -12.418 1.307 1.00 53.31 H new ATOM 0 HB2 ASN A 10 3.664 -13.996 0.194 1.00 31.41 H new ATOM 0 HB3 ASN A 10 4.972 -14.494 -0.861 1.00 31.41 H new ATOM 0 HD21 ASN A 10 4.613 -16.666 2.288 1.00 1.34 H new ATOM 0 HD22 ASN A 10 3.418 -16.001 1.170 1.00 1.34 H new ATOM 177 N ASP A 11 7.041 -12.000 -1.401 1.00 21.20 N ATOM 178 CA ASP A 11 8.345 -11.958 -2.076 1.00 34.10 C ATOM 179 C ASP A 11 9.304 -10.962 -1.402 1.00 64.44 C ATOM 180 O ASP A 11 9.172 -9.747 -1.563 1.00 23.02 O ATOM 181 CB ASP A 11 8.148 -11.582 -3.549 1.00 60.24 C ATOM 182 CG ASP A 11 7.186 -12.519 -4.254 1.00 41.13 C ATOM 183 OD1 ASP A 11 7.631 -13.584 -4.738 1.00 4.14 O ATOM 184 OD2 ASP A 11 5.978 -12.205 -4.321 1.00 50.05 O ATOM 0 H ASP A 11 6.317 -11.454 -1.867 1.00 21.20 H new ATOM 0 HA ASP A 11 8.795 -12.948 -2.004 1.00 34.10 H new ATOM 0 HB2 ASP A 11 7.772 -10.561 -3.615 1.00 60.24 H new ATOM 0 HB3 ASP A 11 9.111 -11.601 -4.059 1.00 60.24 H new ATOM 189 N LYS A 12 10.282 -11.484 -0.665 1.00 21.31 N ATOM 190 CA LYS A 12 11.212 -10.642 0.103 1.00 72.01 C ATOM 191 C LYS A 12 12.012 -9.681 -0.790 1.00 72.03 C ATOM 192 O LYS A 12 12.125 -8.498 -0.478 1.00 43.21 O ATOM 193 CB LYS A 12 12.168 -11.504 0.949 1.00 12.00 C ATOM 194 CG LYS A 12 11.539 -12.055 2.233 1.00 14.31 C ATOM 195 CD LYS A 12 10.355 -12.976 1.950 1.00 1.11 C ATOM 196 CE LYS A 12 9.620 -13.369 3.224 1.00 73.14 C ATOM 197 NZ LYS A 12 8.463 -14.257 2.940 1.00 24.20 N ATOM 0 H LYS A 12 10.455 -12.486 -0.580 1.00 21.31 H new ATOM 0 HA LYS A 12 10.600 -10.033 0.769 1.00 72.01 H new ATOM 0 HB2 LYS A 12 12.521 -12.338 0.343 1.00 12.00 H new ATOM 0 HB3 LYS A 12 13.042 -10.908 1.212 1.00 12.00 H new ATOM 0 HG2 LYS A 12 12.294 -12.601 2.799 1.00 14.31 H new ATOM 0 HG3 LYS A 12 11.210 -11.225 2.858 1.00 14.31 H new ATOM 0 HD2 LYS A 12 9.663 -12.478 1.271 1.00 1.11 H new ATOM 0 HD3 LYS A 12 10.708 -13.874 1.443 1.00 1.11 H new ATOM 0 HE2 LYS A 12 10.309 -13.875 3.900 1.00 73.14 H new ATOM 0 HE3 LYS A 12 9.273 -12.471 3.735 1.00 73.14 H new ATOM 0 HZ1 LYS A 12 7.732 -14.118 3.667 1.00 24.20 H new ATOM 0 HZ2 LYS A 12 8.070 -14.027 2.005 1.00 24.20 H new ATOM 0 HZ3 LYS A 12 8.776 -15.249 2.949 1.00 24.20 H new ATOM 211 N LYS A 13 12.556 -10.178 -1.902 1.00 13.25 N ATOM 212 CA LYS A 13 13.376 -9.340 -2.795 1.00 3.15 C ATOM 213 C LYS A 13 12.578 -8.144 -3.344 1.00 13.02 C ATOM 214 O LYS A 13 13.102 -7.034 -3.455 1.00 71.41 O ATOM 215 CB LYS A 13 13.946 -10.177 -3.951 1.00 24.24 C ATOM 216 CG LYS A 13 14.915 -11.295 -3.531 1.00 51.32 C ATOM 217 CD LYS A 13 16.298 -10.772 -3.109 1.00 52.01 C ATOM 218 CE LYS A 13 16.365 -10.378 -1.632 1.00 1.50 C ATOM 219 NZ LYS A 13 16.134 -11.537 -0.730 1.00 50.21 N ATOM 0 H LYS A 13 12.449 -11.145 -2.208 1.00 13.25 H new ATOM 0 HA LYS A 13 14.203 -8.945 -2.204 1.00 3.15 H new ATOM 0 HB2 LYS A 13 13.116 -10.623 -4.499 1.00 24.24 H new ATOM 0 HB3 LYS A 13 14.462 -9.510 -4.642 1.00 24.24 H new ATOM 0 HG2 LYS A 13 14.478 -11.854 -2.704 1.00 51.32 H new ATOM 0 HG3 LYS A 13 15.035 -11.993 -4.360 1.00 51.32 H new ATOM 0 HD2 LYS A 13 17.046 -11.539 -3.309 1.00 52.01 H new ATOM 0 HD3 LYS A 13 16.556 -9.908 -3.722 1.00 52.01 H new ATOM 0 HE2 LYS A 13 17.341 -9.942 -1.418 1.00 1.50 H new ATOM 0 HE3 LYS A 13 15.621 -9.608 -1.429 1.00 1.50 H new ATOM 0 HZ1 LYS A 13 16.541 -11.335 0.205 1.00 50.21 H new ATOM 0 HZ2 LYS A 13 15.112 -11.704 -0.634 1.00 50.21 H new ATOM 0 HZ3 LYS A 13 16.587 -12.384 -1.130 1.00 50.21 H new ATOM 233 N LEU A 14 11.310 -8.373 -3.680 1.00 72.51 N ATOM 234 CA LEU A 14 10.425 -7.290 -4.123 1.00 51.34 C ATOM 235 C LEU A 14 10.162 -6.300 -2.976 1.00 51.31 C ATOM 236 O LEU A 14 10.125 -5.084 -3.182 1.00 70.25 O ATOM 237 CB LEU A 14 9.107 -7.875 -4.669 1.00 41.10 C ATOM 238 CG LEU A 14 8.076 -6.847 -5.196 1.00 20.14 C ATOM 239 CD1 LEU A 14 7.304 -7.414 -6.385 1.00 62.11 C ATOM 240 CD2 LEU A 14 7.102 -6.426 -4.092 1.00 22.32 C ATOM 0 H LEU A 14 10.871 -9.293 -3.655 1.00 72.51 H new ATOM 0 HA LEU A 14 10.915 -6.741 -4.927 1.00 51.34 H new ATOM 0 HB2 LEU A 14 9.346 -8.567 -5.477 1.00 41.10 H new ATOM 0 HB3 LEU A 14 8.637 -8.459 -3.878 1.00 41.10 H new ATOM 0 HG LEU A 14 8.628 -5.966 -5.524 1.00 20.14 H new ATOM 0 HD11 LEU A 14 6.586 -6.674 -6.738 1.00 62.11 H new ATOM 0 HD12 LEU A 14 8.000 -7.657 -7.188 1.00 62.11 H new ATOM 0 HD13 LEU A 14 6.775 -8.316 -6.078 1.00 62.11 H new ATOM 0 HD21 LEU A 14 6.390 -5.704 -4.491 1.00 22.32 H new ATOM 0 HD22 LEU A 14 6.565 -7.302 -3.727 1.00 22.32 H new ATOM 0 HD23 LEU A 14 7.657 -5.972 -3.271 1.00 22.32 H new ATOM 252 N ILE A 15 9.994 -6.830 -1.765 1.00 53.02 N ATOM 253 CA ILE A 15 9.782 -5.995 -0.576 1.00 23.55 C ATOM 254 C ILE A 15 11.034 -5.158 -0.244 1.00 43.13 C ATOM 255 O ILE A 15 10.926 -4.029 0.244 1.00 1.34 O ATOM 256 CB ILE A 15 9.382 -6.855 0.656 1.00 23.20 C ATOM 257 CG1 ILE A 15 8.066 -7.612 0.382 1.00 34.54 C ATOM 258 CG2 ILE A 15 9.251 -5.991 1.913 1.00 1.41 C ATOM 259 CD1 ILE A 15 7.612 -8.499 1.526 1.00 0.44 C ATOM 0 H ILE A 15 10.000 -7.833 -1.578 1.00 53.02 H new ATOM 0 HA ILE A 15 8.962 -5.316 -0.808 1.00 23.55 H new ATOM 0 HB ILE A 15 10.174 -7.584 0.829 1.00 23.20 H new ATOM 0 HG12 ILE A 15 7.281 -6.888 0.165 1.00 34.54 H new ATOM 0 HG13 ILE A 15 8.191 -8.224 -0.511 1.00 34.54 H new ATOM 0 HG21 ILE A 15 8.970 -6.619 2.759 1.00 1.41 H new ATOM 0 HG22 ILE A 15 10.204 -5.506 2.122 1.00 1.41 H new ATOM 0 HG23 ILE A 15 8.485 -5.232 1.755 1.00 1.41 H new ATOM 0 HD11 ILE A 15 6.680 -8.995 1.254 1.00 0.44 H new ATOM 0 HD12 ILE A 15 8.376 -9.249 1.731 1.00 0.44 H new ATOM 0 HD13 ILE A 15 7.453 -7.891 2.417 1.00 0.44 H new ATOM 271 N GLU A 16 12.220 -5.708 -0.517 1.00 2.12 N ATOM 272 CA GLU A 16 13.481 -4.988 -0.282 1.00 0.54 C ATOM 273 C GLU A 16 13.506 -3.655 -1.038 1.00 14.12 C ATOM 274 O GLU A 16 13.714 -2.595 -0.445 1.00 14.43 O ATOM 275 CB GLU A 16 14.684 -5.838 -0.723 1.00 0.43 C ATOM 276 CG GLU A 16 14.841 -7.151 0.029 1.00 3.11 C ATOM 277 CD GLU A 16 15.032 -6.954 1.522 1.00 14.13 C ATOM 278 OE1 GLU A 16 16.170 -6.665 1.947 1.00 52.04 O ATOM 279 OE2 GLU A 16 14.048 -7.081 2.274 1.00 73.33 O ATOM 0 H GLU A 16 12.337 -6.646 -0.900 1.00 2.12 H new ATOM 0 HA GLU A 16 13.548 -4.792 0.788 1.00 0.54 H new ATOM 0 HB2 GLU A 16 14.590 -6.053 -1.787 1.00 0.43 H new ATOM 0 HB3 GLU A 16 15.593 -5.251 -0.596 1.00 0.43 H new ATOM 0 HG2 GLU A 16 13.960 -7.770 -0.142 1.00 3.11 H new ATOM 0 HG3 GLU A 16 15.695 -7.695 -0.373 1.00 3.11 H new ATOM 286 N GLU A 17 13.265 -3.719 -2.345 1.00 2.32 N ATOM 287 CA GLU A 17 13.249 -2.522 -3.193 1.00 65.52 C ATOM 288 C GLU A 17 12.179 -1.525 -2.727 1.00 62.35 C ATOM 289 O GLU A 17 12.388 -0.310 -2.758 1.00 31.04 O ATOM 290 CB GLU A 17 13.003 -2.915 -4.654 1.00 33.24 C ATOM 291 CG GLU A 17 14.111 -3.772 -5.265 1.00 15.40 C ATOM 292 CD GLU A 17 15.456 -3.058 -5.316 1.00 22.14 C ATOM 293 OE1 GLU A 17 15.602 -2.106 -6.114 1.00 23.43 O ATOM 294 OE2 GLU A 17 16.373 -3.439 -4.559 1.00 71.31 O ATOM 0 H GLU A 17 13.077 -4.588 -2.845 1.00 2.32 H new ATOM 0 HA GLU A 17 14.221 -2.036 -3.111 1.00 65.52 H new ATOM 0 HB2 GLU A 17 12.060 -3.459 -4.719 1.00 33.24 H new ATOM 0 HB3 GLU A 17 12.890 -2.009 -5.249 1.00 33.24 H new ATOM 0 HG2 GLU A 17 14.215 -4.689 -4.686 1.00 15.40 H new ATOM 0 HG3 GLU A 17 13.822 -4.064 -6.275 1.00 15.40 H new ATOM 301 N ALA A 18 11.035 -2.049 -2.291 1.00 74.23 N ATOM 302 CA ALA A 18 9.949 -1.215 -1.771 1.00 5.33 C ATOM 303 C ALA A 18 10.379 -0.449 -0.508 1.00 30.10 C ATOM 304 O ALA A 18 10.166 0.759 -0.400 1.00 32.35 O ATOM 305 CB ALA A 18 8.720 -2.073 -1.486 1.00 52.24 C ATOM 0 H ALA A 18 10.834 -3.049 -2.287 1.00 74.23 H new ATOM 0 HA ALA A 18 9.698 -0.476 -2.532 1.00 5.33 H new ATOM 0 HB1 ALA A 18 7.918 -1.443 -1.100 1.00 52.24 H new ATOM 0 HB2 ALA A 18 8.391 -2.555 -2.407 1.00 52.24 H new ATOM 0 HB3 ALA A 18 8.971 -2.834 -0.748 1.00 52.24 H new ATOM 311 N ARG A 19 10.996 -1.157 0.440 1.00 42.42 N ATOM 312 CA ARG A 19 11.451 -0.540 1.695 1.00 41.02 C ATOM 313 C ARG A 19 12.558 0.504 1.446 1.00 45.31 C ATOM 314 O ARG A 19 12.670 1.491 2.175 1.00 44.14 O ATOM 315 CB ARG A 19 11.926 -1.615 2.690 1.00 70.51 C ATOM 316 CG ARG A 19 10.819 -2.584 3.107 1.00 64.33 C ATOM 317 CD ARG A 19 11.205 -3.437 4.314 1.00 13.33 C ATOM 318 NE ARG A 19 12.284 -4.386 4.038 1.00 33.01 N ATOM 319 CZ ARG A 19 12.808 -5.174 4.944 1.00 34.25 C ATOM 320 NH1 ARG A 19 12.375 -5.159 6.165 1.00 43.15 N ATOM 321 NH2 ARG A 19 13.752 -5.995 4.632 1.00 2.20 N ATOM 0 H ARG A 19 11.193 -2.155 0.366 1.00 42.42 H new ATOM 0 HA ARG A 19 10.600 -0.017 2.132 1.00 41.02 H new ATOM 0 HB2 ARG A 19 12.744 -2.179 2.242 1.00 70.51 H new ATOM 0 HB3 ARG A 19 12.326 -1.127 3.579 1.00 70.51 H new ATOM 0 HG2 ARG A 19 9.916 -2.019 3.340 1.00 64.33 H new ATOM 0 HG3 ARG A 19 10.578 -3.237 2.268 1.00 64.33 H new ATOM 0 HD2 ARG A 19 11.509 -2.781 5.130 1.00 13.33 H new ATOM 0 HD3 ARG A 19 10.328 -3.986 4.656 1.00 13.33 H new ATOM 0 HE ARG A 19 12.649 -4.437 3.087 1.00 33.01 H new ATOM 0 HH11 ARG A 19 11.618 -4.529 6.430 1.00 43.15 H new ATOM 0 HH12 ARG A 19 12.791 -5.777 6.861 1.00 43.15 H new ATOM 0 HH21 ARG A 19 14.097 -6.035 3.673 1.00 2.20 H new ATOM 0 HH22 ARG A 19 14.154 -6.605 5.344 1.00 2.20 H new ATOM 335 N LYS A 20 13.373 0.279 0.416 1.00 42.42 N ATOM 336 CA LYS A 20 14.411 1.242 0.017 1.00 63.00 C ATOM 337 C LYS A 20 13.784 2.513 -0.580 1.00 44.33 C ATOM 338 O LYS A 20 14.079 3.634 -0.157 1.00 50.34 O ATOM 339 CB LYS A 20 15.354 0.597 -1.008 1.00 32.31 C ATOM 340 CG LYS A 20 16.046 -0.663 -0.496 1.00 70.53 C ATOM 341 CD LYS A 20 16.755 -1.417 -1.618 1.00 21.14 C ATOM 342 CE LYS A 20 17.296 -2.761 -1.140 1.00 31.51 C ATOM 343 NZ LYS A 20 17.881 -3.555 -2.252 1.00 51.25 N ATOM 0 H LYS A 20 13.338 -0.561 -0.161 1.00 42.42 H new ATOM 0 HA LYS A 20 14.976 1.523 0.906 1.00 63.00 H new ATOM 0 HB2 LYS A 20 14.787 0.350 -1.906 1.00 32.31 H new ATOM 0 HB3 LYS A 20 16.112 1.324 -1.300 1.00 32.31 H new ATOM 0 HG2 LYS A 20 16.769 -0.393 0.274 1.00 70.53 H new ATOM 0 HG3 LYS A 20 15.310 -1.317 -0.027 1.00 70.53 H new ATOM 0 HD2 LYS A 20 16.062 -1.577 -2.444 1.00 21.14 H new ATOM 0 HD3 LYS A 20 17.575 -0.811 -2.003 1.00 21.14 H new ATOM 0 HE2 LYS A 20 18.055 -2.595 -0.375 1.00 31.51 H new ATOM 0 HE3 LYS A 20 16.492 -3.330 -0.673 1.00 31.51 H new ATOM 0 HZ1 LYS A 20 17.971 -4.549 -1.959 1.00 51.25 H new ATOM 0 HZ2 LYS A 20 17.262 -3.494 -3.085 1.00 51.25 H new ATOM 0 HZ3 LYS A 20 18.820 -3.178 -2.491 1.00 51.25 H new ATOM 357 N MET A 21 12.902 2.323 -1.562 1.00 40.33 N ATOM 358 CA MET A 21 12.224 3.441 -2.227 1.00 43.31 C ATOM 359 C MET A 21 11.323 4.226 -1.268 1.00 5.22 C ATOM 360 O MET A 21 11.129 5.430 -1.439 1.00 52.12 O ATOM 361 CB MET A 21 11.406 2.936 -3.418 1.00 33.23 C ATOM 362 CG MET A 21 12.256 2.597 -4.630 1.00 10.44 C ATOM 363 SD MET A 21 13.199 4.016 -5.223 1.00 71.51 S ATOM 364 CE MET A 21 11.886 5.219 -5.474 1.00 70.35 C ATOM 0 H MET A 21 12.639 1.404 -1.917 1.00 40.33 H new ATOM 0 HA MET A 21 12.999 4.121 -2.580 1.00 43.31 H new ATOM 0 HB2 MET A 21 10.846 2.051 -3.116 1.00 33.23 H new ATOM 0 HB3 MET A 21 10.675 3.695 -3.696 1.00 33.23 H new ATOM 0 HG2 MET A 21 12.941 1.789 -4.376 1.00 10.44 H new ATOM 0 HG3 MET A 21 11.614 2.230 -5.431 1.00 10.44 H new ATOM 0 HE1 MET A 21 12.155 5.885 -6.294 1.00 70.35 H new ATOM 0 HE2 MET A 21 10.959 4.700 -5.717 1.00 70.35 H new ATOM 0 HE3 MET A 21 11.748 5.802 -4.563 1.00 70.35 H new ATOM 374 N ALA A 22 10.765 3.546 -0.269 1.00 65.44 N ATOM 375 CA ALA A 22 9.955 4.215 0.751 1.00 41.33 C ATOM 376 C ALA A 22 10.758 5.325 1.447 1.00 61.04 C ATOM 377 O ALA A 22 10.291 6.456 1.586 1.00 74.02 O ATOM 378 CB ALA A 22 9.441 3.203 1.771 1.00 22.35 C ATOM 0 H ALA A 22 10.857 2.538 -0.143 1.00 65.44 H new ATOM 0 HA ALA A 22 9.099 4.676 0.259 1.00 41.33 H new ATOM 0 HB1 ALA A 22 8.841 3.716 2.522 1.00 22.35 H new ATOM 0 HB2 ALA A 22 8.829 2.456 1.266 1.00 22.35 H new ATOM 0 HB3 ALA A 22 10.286 2.713 2.255 1.00 22.35 H new ATOM 384 N GLU A 23 11.981 4.993 1.860 1.00 42.42 N ATOM 385 CA GLU A 23 12.882 5.963 2.488 1.00 63.05 C ATOM 386 C GLU A 23 13.244 7.101 1.519 1.00 71.02 C ATOM 387 O GLU A 23 13.270 8.273 1.902 1.00 71.20 O ATOM 388 CB GLU A 23 14.162 5.266 2.970 1.00 4.15 C ATOM 389 CG GLU A 23 13.927 4.205 4.042 1.00 74.14 C ATOM 390 CD GLU A 23 13.303 4.772 5.307 1.00 53.02 C ATOM 391 OE1 GLU A 23 13.925 5.654 5.940 1.00 55.32 O ATOM 392 OE2 GLU A 23 12.188 4.346 5.678 1.00 21.21 O ATOM 0 H GLU A 23 12.373 4.056 1.771 1.00 42.42 H new ATOM 0 HA GLU A 23 12.361 6.394 3.342 1.00 63.05 H new ATOM 0 HB2 GLU A 23 14.654 4.801 2.115 1.00 4.15 H new ATOM 0 HB3 GLU A 23 14.847 6.018 3.362 1.00 4.15 H new ATOM 0 HG2 GLU A 23 13.278 3.427 3.640 1.00 74.14 H new ATOM 0 HG3 GLU A 23 14.876 3.731 4.292 1.00 74.14 H new ATOM 399 N LYS A 24 13.523 6.748 0.263 1.00 42.20 N ATOM 400 CA LYS A 24 13.865 7.739 -0.768 1.00 13.31 C ATOM 401 C LYS A 24 12.708 8.726 -1.010 1.00 73.01 C ATOM 402 O LYS A 24 12.919 9.934 -1.127 1.00 73.13 O ATOM 403 CB LYS A 24 14.236 7.032 -2.083 1.00 70.11 C ATOM 404 CG LYS A 24 15.414 6.065 -1.964 1.00 73.11 C ATOM 405 CD LYS A 24 16.670 6.750 -1.431 1.00 1.34 C ATOM 406 CE LYS A 24 17.128 7.892 -2.334 1.00 32.43 C ATOM 407 NZ LYS A 24 18.298 8.612 -1.765 1.00 15.51 N ATOM 0 H LYS A 24 13.520 5.783 -0.068 1.00 42.20 H new ATOM 0 HA LYS A 24 14.723 8.308 -0.409 1.00 13.31 H new ATOM 0 HB2 LYS A 24 13.366 6.484 -2.446 1.00 70.11 H new ATOM 0 HB3 LYS A 24 14.474 7.786 -2.833 1.00 70.11 H new ATOM 0 HG2 LYS A 24 15.142 5.243 -1.302 1.00 73.11 H new ATOM 0 HG3 LYS A 24 15.626 5.631 -2.941 1.00 73.11 H new ATOM 0 HD2 LYS A 24 16.475 7.136 -0.430 1.00 1.34 H new ATOM 0 HD3 LYS A 24 17.471 6.017 -1.340 1.00 1.34 H new ATOM 0 HE2 LYS A 24 17.387 7.497 -3.316 1.00 32.43 H new ATOM 0 HE3 LYS A 24 16.306 8.593 -2.479 1.00 32.43 H new ATOM 0 HZ1 LYS A 24 18.579 9.380 -2.407 1.00 15.51 H new ATOM 0 HZ2 LYS A 24 18.043 9.011 -0.839 1.00 15.51 H new ATOM 0 HZ3 LYS A 24 19.091 7.949 -1.650 1.00 15.51 H new ATOM 421 N ALA A 25 11.488 8.200 -1.079 1.00 63.25 N ATOM 422 CA ALA A 25 10.290 9.023 -1.286 1.00 5.51 C ATOM 423 C ALA A 25 9.744 9.587 0.040 1.00 51.53 C ATOM 424 O ALA A 25 8.751 10.321 0.054 1.00 43.34 O ATOM 425 CB ALA A 25 9.223 8.200 -1.998 1.00 51.02 C ATOM 0 H ALA A 25 11.298 7.201 -0.994 1.00 63.25 H new ATOM 0 HA ALA A 25 10.567 9.876 -1.906 1.00 5.51 H new ATOM 0 HB1 ALA A 25 8.334 8.812 -2.151 1.00 51.02 H new ATOM 0 HB2 ALA A 25 9.605 7.866 -2.963 1.00 51.02 H new ATOM 0 HB3 ALA A 25 8.966 7.333 -1.390 1.00 51.02 H new ATOM 431 N ASN A 26 10.405 9.231 1.148 1.00 20.25 N ATOM 432 CA ASN A 26 10.035 9.701 2.497 1.00 13.05 C ATOM 433 C ASN A 26 8.667 9.156 2.950 1.00 71.35 C ATOM 434 O ASN A 26 8.049 9.692 3.874 1.00 3.25 O ATOM 435 CB ASN A 26 10.040 11.236 2.553 1.00 31.31 C ATOM 436 CG ASN A 26 11.359 11.842 2.102 1.00 34.02 C ATOM 437 OD1 ASN A 26 12.459 11.149 2.329 1.00 45.55 O flip ATOM 438 ND2 ASN A 26 11.390 12.938 1.557 1.00 51.13 N flip ATOM 0 H ASN A 26 11.213 8.608 1.139 1.00 20.25 H new ATOM 0 HA ASN A 26 10.785 9.314 3.187 1.00 13.05 H new ATOM 0 HB2 ASN A 26 9.236 11.620 1.924 1.00 31.31 H new ATOM 0 HB3 ASN A 26 9.828 11.558 3.573 1.00 31.31 H new ATOM 0 HD21 ASN A 26 10.524 13.451 1.394 1.00 51.13 H new ATOM 0 HD22 ASN A 26 12.282 13.338 1.266 1.00 51.13 H new ATOM 445 N LEU A 27 8.214 8.071 2.325 1.00 64.12 N ATOM 446 CA LEU A 27 6.915 7.470 2.650 1.00 41.30 C ATOM 447 C LEU A 27 7.036 6.426 3.772 1.00 61.41 C ATOM 448 O LEU A 27 8.093 5.823 3.970 1.00 13.00 O ATOM 449 CB LEU A 27 6.300 6.824 1.398 1.00 4.21 C ATOM 450 CG LEU A 27 6.040 7.780 0.219 1.00 42.44 C ATOM 451 CD1 LEU A 27 5.348 7.045 -0.926 1.00 1.24 C ATOM 452 CD2 LEU A 27 5.211 8.983 0.667 1.00 53.03 C ATOM 0 H LEU A 27 8.726 7.586 1.588 1.00 64.12 H new ATOM 0 HA LEU A 27 6.263 8.268 3.004 1.00 41.30 H new ATOM 0 HB2 LEU A 27 6.963 6.028 1.058 1.00 4.21 H new ATOM 0 HB3 LEU A 27 5.357 6.356 1.678 1.00 4.21 H new ATOM 0 HG LEU A 27 7.002 8.146 -0.140 1.00 42.44 H new ATOM 0 HD11 LEU A 27 5.173 7.737 -1.750 1.00 1.24 H new ATOM 0 HD12 LEU A 27 5.981 6.227 -1.268 1.00 1.24 H new ATOM 0 HD13 LEU A 27 4.395 6.646 -0.579 1.00 1.24 H new ATOM 0 HD21 LEU A 27 5.040 9.644 -0.183 1.00 53.03 H new ATOM 0 HD22 LEU A 27 4.253 8.640 1.058 1.00 53.03 H new ATOM 0 HD23 LEU A 27 5.747 9.525 1.446 1.00 53.03 H new ATOM 464 N GLU A 28 5.940 6.221 4.495 1.00 62.24 N ATOM 465 CA GLU A 28 5.895 5.265 5.608 1.00 2.14 C ATOM 466 C GLU A 28 5.282 3.935 5.125 1.00 21.11 C ATOM 467 O GLU A 28 4.134 3.904 4.676 1.00 30.21 O ATOM 468 CB GLU A 28 5.070 5.879 6.756 1.00 60.03 C ATOM 469 CG GLU A 28 5.455 5.403 8.158 1.00 21.00 C ATOM 470 CD GLU A 28 5.052 3.967 8.448 1.00 22.41 C ATOM 471 OE1 GLU A 28 3.854 3.728 8.697 1.00 71.14 O ATOM 472 OE2 GLU A 28 5.936 3.083 8.456 1.00 73.23 O ATOM 0 H GLU A 28 5.059 6.708 4.331 1.00 62.24 H new ATOM 0 HA GLU A 28 6.901 5.056 5.972 1.00 2.14 H new ATOM 0 HB2 GLU A 28 5.172 6.963 6.716 1.00 60.03 H new ATOM 0 HB3 GLU A 28 4.017 5.652 6.588 1.00 60.03 H new ATOM 0 HG2 GLU A 28 6.534 5.500 8.282 1.00 21.00 H new ATOM 0 HG3 GLU A 28 4.989 6.058 8.895 1.00 21.00 H new ATOM 479 N LEU A 29 6.048 2.847 5.209 1.00 30.52 N ATOM 480 CA LEU A 29 5.655 1.568 4.591 1.00 65.22 C ATOM 481 C LEU A 29 5.319 0.487 5.637 1.00 21.24 C ATOM 482 O LEU A 29 6.065 0.267 6.592 1.00 13.32 O ATOM 483 CB LEU A 29 6.781 1.091 3.649 1.00 65.40 C ATOM 484 CG LEU A 29 6.501 -0.192 2.829 1.00 65.22 C ATOM 485 CD1 LEU A 29 7.300 -0.182 1.527 1.00 33.04 C ATOM 486 CD2 LEU A 29 6.833 -1.452 3.634 1.00 32.13 C ATOM 0 H LEU A 29 6.943 2.820 5.697 1.00 30.52 H new ATOM 0 HA LEU A 29 4.742 1.735 4.019 1.00 65.22 H new ATOM 0 HB2 LEU A 29 7.007 1.898 2.952 1.00 65.40 H new ATOM 0 HB3 LEU A 29 7.678 0.925 4.246 1.00 65.40 H new ATOM 0 HG LEU A 29 5.437 -0.207 2.594 1.00 65.22 H new ATOM 0 HD11 LEU A 29 7.090 -1.092 0.964 1.00 33.04 H new ATOM 0 HD12 LEU A 29 7.016 0.686 0.932 1.00 33.04 H new ATOM 0 HD13 LEU A 29 8.365 -0.133 1.754 1.00 33.04 H new ATOM 0 HD21 LEU A 29 6.625 -2.335 3.030 1.00 32.13 H new ATOM 0 HD22 LEU A 29 7.888 -1.441 3.909 1.00 32.13 H new ATOM 0 HD23 LEU A 29 6.223 -1.478 4.537 1.00 32.13 H new ATOM 498 N ARG A 30 4.195 -0.199 5.430 1.00 22.25 N ATOM 499 CA ARG A 30 3.774 -1.306 6.296 1.00 40.13 C ATOM 500 C ARG A 30 3.576 -2.597 5.484 1.00 3.03 C ATOM 501 O ARG A 30 2.844 -2.618 4.491 1.00 33.31 O ATOM 502 CB ARG A 30 2.474 -0.942 7.029 1.00 70.33 C ATOM 503 CG ARG A 30 2.603 0.259 7.962 1.00 63.04 C ATOM 504 CD ARG A 30 3.541 -0.026 9.132 1.00 23.30 C ATOM 505 NE ARG A 30 3.757 1.160 9.954 1.00 33.02 N ATOM 506 CZ ARG A 30 3.746 1.173 11.259 1.00 23.03 C ATOM 507 NH1 ARG A 30 3.525 0.090 11.936 1.00 13.45 N ATOM 508 NH2 ARG A 30 3.952 2.279 11.892 1.00 22.24 N ATOM 0 H ARG A 30 3.552 -0.006 4.662 1.00 22.25 H new ATOM 0 HA ARG A 30 4.561 -1.480 7.030 1.00 40.13 H new ATOM 0 HB2 ARG A 30 1.699 -0.734 6.291 1.00 70.33 H new ATOM 0 HB3 ARG A 30 2.141 -1.804 7.607 1.00 70.33 H new ATOM 0 HG2 ARG A 30 2.974 1.117 7.400 1.00 63.04 H new ATOM 0 HG3 ARG A 30 1.618 0.529 8.344 1.00 63.04 H new ATOM 0 HD2 ARG A 30 3.123 -0.823 9.747 1.00 23.30 H new ATOM 0 HD3 ARG A 30 4.498 -0.384 8.752 1.00 23.30 H new ATOM 0 HE ARG A 30 3.929 2.043 9.474 1.00 33.02 H new ATOM 0 HH11 ARG A 30 3.356 -0.790 11.449 1.00 13.45 H new ATOM 0 HH12 ARG A 30 3.520 0.118 12.956 1.00 13.45 H new ATOM 0 HH21 ARG A 30 4.123 3.140 11.372 1.00 22.24 H new ATOM 0 HH22 ARG A 30 3.944 2.292 12.912 1.00 22.24 H new ATOM 522 N THR A 31 4.232 -3.672 5.912 1.00 23.32 N ATOM 523 CA THR A 31 4.121 -4.973 5.236 1.00 23.55 C ATOM 524 C THR A 31 2.854 -5.734 5.660 1.00 13.33 C ATOM 525 O THR A 31 2.618 -5.965 6.848 1.00 42.05 O ATOM 526 CB THR A 31 5.362 -5.865 5.506 1.00 11.35 C ATOM 527 OG1 THR A 31 5.613 -5.966 6.920 1.00 4.34 O ATOM 528 CG2 THR A 31 6.600 -5.308 4.810 1.00 44.31 C ATOM 0 H THR A 31 4.848 -3.674 6.725 1.00 23.32 H new ATOM 0 HA THR A 31 4.061 -4.756 4.169 1.00 23.55 H new ATOM 0 HB THR A 31 5.150 -6.856 5.105 1.00 11.35 H new ATOM 0 HG1 THR A 31 4.761 -5.984 7.403 1.00 4.34 H new ATOM 0 HG21 THR A 31 7.454 -5.953 5.016 1.00 44.31 H new ATOM 0 HG22 THR A 31 6.426 -5.269 3.735 1.00 44.31 H new ATOM 0 HG23 THR A 31 6.805 -4.304 5.181 1.00 44.31 H new ATOM 536 N VAL A 32 2.040 -6.117 4.674 1.00 15.34 N ATOM 537 CA VAL A 32 0.805 -6.875 4.918 1.00 34.14 C ATOM 538 C VAL A 32 0.943 -8.326 4.433 1.00 5.44 C ATOM 539 O VAL A 32 1.538 -8.585 3.384 1.00 2.51 O ATOM 540 CB VAL A 32 -0.409 -6.226 4.200 1.00 3.11 C ATOM 541 CG1 VAL A 32 -1.698 -6.996 4.496 1.00 24.30 C ATOM 542 CG2 VAL A 32 -0.555 -4.756 4.589 1.00 60.44 C ATOM 0 H VAL A 32 2.214 -5.914 3.690 1.00 15.34 H new ATOM 0 HA VAL A 32 0.636 -6.863 5.995 1.00 34.14 H new ATOM 0 HB VAL A 32 -0.225 -6.274 3.127 1.00 3.11 H new ATOM 0 HG11 VAL A 32 -2.532 -6.520 3.981 1.00 24.30 H new ATOM 0 HG12 VAL A 32 -1.596 -8.024 4.148 1.00 24.30 H new ATOM 0 HG13 VAL A 32 -1.885 -6.993 5.570 1.00 24.30 H new ATOM 0 HG21 VAL A 32 -1.413 -4.326 4.072 1.00 60.44 H new ATOM 0 HG22 VAL A 32 -0.704 -4.678 5.666 1.00 60.44 H new ATOM 0 HG23 VAL A 32 0.348 -4.214 4.307 1.00 60.44 H new ATOM 552 N LYS A 33 0.399 -9.272 5.199 1.00 12.30 N ATOM 553 CA LYS A 33 0.411 -10.687 4.804 1.00 71.41 C ATOM 554 C LYS A 33 -1.015 -11.257 4.681 1.00 3.30 C ATOM 555 O LYS A 33 -1.313 -12.000 3.744 1.00 1.21 O ATOM 556 CB LYS A 33 1.218 -11.515 5.816 1.00 53.23 C ATOM 557 CG LYS A 33 2.654 -11.034 6.003 1.00 24.10 C ATOM 558 CD LYS A 33 3.363 -11.809 7.109 1.00 33.22 C ATOM 559 CE LYS A 33 4.801 -11.343 7.305 1.00 34.12 C ATOM 560 NZ LYS A 33 5.472 -12.084 8.407 1.00 42.55 N ATOM 0 H LYS A 33 -0.055 -9.089 6.094 1.00 12.30 H new ATOM 0 HA LYS A 33 0.883 -10.750 3.824 1.00 71.41 H new ATOM 0 HB2 LYS A 33 0.709 -11.490 6.779 1.00 53.23 H new ATOM 0 HB3 LYS A 33 1.233 -12.555 5.490 1.00 53.23 H new ATOM 0 HG2 LYS A 33 3.202 -11.149 5.068 1.00 24.10 H new ATOM 0 HG3 LYS A 33 2.654 -9.971 6.244 1.00 24.10 H new ATOM 0 HD2 LYS A 33 2.814 -11.691 8.043 1.00 33.22 H new ATOM 0 HD3 LYS A 33 3.357 -12.872 6.868 1.00 33.22 H new ATOM 0 HE2 LYS A 33 5.359 -11.483 6.379 1.00 34.12 H new ATOM 0 HE3 LYS A 33 4.811 -10.275 7.525 1.00 34.12 H new ATOM 0 HZ1 LYS A 33 6.448 -11.741 8.512 1.00 42.55 H new ATOM 0 HZ2 LYS A 33 4.953 -11.930 9.295 1.00 42.55 H new ATOM 0 HZ3 LYS A 33 5.484 -13.100 8.185 1.00 42.55 H new ATOM 574 N THR A 34 -1.891 -10.916 5.631 1.00 54.32 N ATOM 575 CA THR A 34 -3.264 -11.461 5.655 1.00 32.30 C ATOM 576 C THR A 34 -4.345 -10.385 5.442 1.00 72.41 C ATOM 577 O THR A 34 -4.097 -9.185 5.597 1.00 25.31 O ATOM 578 CB THR A 34 -3.565 -12.180 6.994 1.00 23.21 C ATOM 579 OG1 THR A 34 -3.594 -11.230 8.068 1.00 70.43 O ATOM 580 CG2 THR A 34 -2.521 -13.253 7.292 1.00 72.40 C ATOM 0 H THR A 34 -1.682 -10.270 6.392 1.00 54.32 H new ATOM 0 HA THR A 34 -3.303 -12.167 4.825 1.00 32.30 H new ATOM 0 HB THR A 34 -4.539 -12.661 6.903 1.00 23.21 H new ATOM 0 HG1 THR A 34 -3.787 -11.694 8.910 1.00 70.43 H new ATOM 0 HG21 THR A 34 -2.759 -13.740 8.238 1.00 72.40 H new ATOM 0 HG22 THR A 34 -2.522 -13.994 6.492 1.00 72.40 H new ATOM 0 HG23 THR A 34 -1.535 -12.793 7.359 1.00 72.40 H new ATOM 588 N GLU A 35 -5.551 -10.846 5.095 1.00 62.20 N ATOM 589 CA GLU A 35 -6.734 -9.983 4.935 1.00 13.41 C ATOM 590 C GLU A 35 -7.006 -9.149 6.202 1.00 74.20 C ATOM 591 O GLU A 35 -7.263 -7.943 6.125 1.00 41.04 O ATOM 592 CB GLU A 35 -7.953 -10.866 4.602 1.00 44.42 C ATOM 593 CG GLU A 35 -9.309 -10.157 4.631 1.00 41.13 C ATOM 594 CD GLU A 35 -9.554 -9.196 3.485 1.00 30.12 C ATOM 595 OE1 GLU A 35 -8.840 -9.255 2.463 1.00 34.32 O ATOM 596 OE2 GLU A 35 -10.514 -8.405 3.589 1.00 55.15 O ATOM 0 H GLU A 35 -5.739 -11.832 4.916 1.00 62.20 H new ATOM 0 HA GLU A 35 -6.547 -9.281 4.122 1.00 13.41 H new ATOM 0 HB2 GLU A 35 -7.808 -11.295 3.611 1.00 44.42 H new ATOM 0 HB3 GLU A 35 -7.982 -11.696 5.308 1.00 44.42 H new ATOM 0 HG2 GLU A 35 -10.096 -10.911 4.628 1.00 41.13 H new ATOM 0 HG3 GLU A 35 -9.396 -9.609 5.569 1.00 41.13 H new ATOM 603 N ASP A 36 -6.947 -9.798 7.366 1.00 24.22 N ATOM 604 CA ASP A 36 -7.174 -9.117 8.645 1.00 62.20 C ATOM 605 C ASP A 36 -6.195 -7.949 8.847 1.00 54.45 C ATOM 606 O ASP A 36 -6.586 -6.877 9.310 1.00 35.32 O ATOM 607 CB ASP A 36 -7.053 -10.109 9.809 1.00 5.31 C ATOM 608 CG ASP A 36 -7.302 -9.448 11.158 1.00 34.12 C ATOM 609 OD1 ASP A 36 -8.472 -9.112 11.450 1.00 20.44 O ATOM 610 OD2 ASP A 36 -6.332 -9.240 11.920 1.00 32.25 O ATOM 0 H ASP A 36 -6.744 -10.794 7.451 1.00 24.22 H new ATOM 0 HA ASP A 36 -8.185 -8.709 8.624 1.00 62.20 H new ATOM 0 HB2 ASP A 36 -7.766 -10.921 9.667 1.00 5.31 H new ATOM 0 HB3 ASP A 36 -6.058 -10.554 9.803 1.00 5.31 H new ATOM 615 N GLU A 37 -4.927 -8.161 8.493 1.00 40.54 N ATOM 616 CA GLU A 37 -3.899 -7.127 8.659 1.00 53.30 C ATOM 617 C GLU A 37 -4.201 -5.875 7.829 1.00 22.41 C ATOM 618 O GLU A 37 -4.164 -4.765 8.349 1.00 22.43 O ATOM 619 CB GLU A 37 -2.514 -7.668 8.297 1.00 22.24 C ATOM 620 CG GLU A 37 -2.012 -8.743 9.247 1.00 52.44 C ATOM 621 CD GLU A 37 -0.597 -9.188 8.925 1.00 0.33 C ATOM 622 OE1 GLU A 37 -0.420 -9.946 7.955 1.00 62.12 O ATOM 623 OE2 GLU A 37 0.341 -8.774 9.635 1.00 73.10 O ATOM 0 H GLU A 37 -4.586 -9.034 8.091 1.00 40.54 H new ATOM 0 HA GLU A 37 -3.908 -6.843 9.711 1.00 53.30 H new ATOM 0 HB2 GLU A 37 -2.545 -8.074 7.286 1.00 22.24 H new ATOM 0 HB3 GLU A 37 -1.802 -6.843 8.287 1.00 22.24 H new ATOM 0 HG2 GLU A 37 -2.047 -8.366 10.269 1.00 52.44 H new ATOM 0 HG3 GLU A 37 -2.679 -9.604 9.202 1.00 52.44 H new ATOM 630 N LEU A 38 -4.499 -6.057 6.541 1.00 64.43 N ATOM 631 CA LEU A 38 -4.829 -4.933 5.650 1.00 2.42 C ATOM 632 C LEU A 38 -5.911 -4.040 6.293 1.00 41.34 C ATOM 633 O LEU A 38 -5.728 -2.831 6.443 1.00 34.03 O ATOM 634 CB LEU A 38 -5.297 -5.482 4.283 1.00 62.53 C ATOM 635 CG LEU A 38 -5.257 -4.500 3.087 1.00 61.04 C ATOM 636 CD1 LEU A 38 -6.346 -3.438 3.185 1.00 1.15 C ATOM 637 CD2 LEU A 38 -3.881 -3.848 2.968 1.00 62.44 C ATOM 0 H LEU A 38 -4.520 -6.971 6.088 1.00 64.43 H new ATOM 0 HA LEU A 38 -3.942 -4.319 5.493 1.00 2.42 H new ATOM 0 HB2 LEU A 38 -4.680 -6.346 4.034 1.00 62.53 H new ATOM 0 HB3 LEU A 38 -6.320 -5.842 4.393 1.00 62.53 H new ATOM 0 HG LEU A 38 -5.448 -5.081 2.185 1.00 61.04 H new ATOM 0 HD11 LEU A 38 -6.281 -2.770 2.326 1.00 1.15 H new ATOM 0 HD12 LEU A 38 -7.324 -3.920 3.198 1.00 1.15 H new ATOM 0 HD13 LEU A 38 -6.213 -2.864 4.102 1.00 1.15 H new ATOM 0 HD21 LEU A 38 -3.876 -3.162 2.121 1.00 62.44 H new ATOM 0 HD22 LEU A 38 -3.659 -3.298 3.882 1.00 62.44 H new ATOM 0 HD23 LEU A 38 -3.125 -4.619 2.816 1.00 62.44 H new ATOM 649 N LYS A 39 -7.018 -4.662 6.696 1.00 15.55 N ATOM 650 CA LYS A 39 -8.081 -3.983 7.452 1.00 32.12 C ATOM 651 C LYS A 39 -7.534 -3.345 8.743 1.00 65.33 C ATOM 652 O LYS A 39 -7.858 -2.206 9.084 1.00 4.34 O ATOM 653 CB LYS A 39 -9.164 -5.008 7.812 1.00 61.22 C ATOM 654 CG LYS A 39 -10.275 -4.464 8.709 1.00 40.41 C ATOM 655 CD LYS A 39 -11.016 -5.591 9.428 1.00 3.22 C ATOM 656 CE LYS A 39 -10.082 -6.363 10.355 1.00 20.45 C ATOM 657 NZ LYS A 39 -10.768 -7.485 11.044 1.00 3.33 N ATOM 0 H LYS A 39 -7.207 -5.647 6.511 1.00 15.55 H new ATOM 0 HA LYS A 39 -8.494 -3.188 6.831 1.00 32.12 H new ATOM 0 HB2 LYS A 39 -9.609 -5.386 6.892 1.00 61.22 H new ATOM 0 HB3 LYS A 39 -8.694 -5.856 8.310 1.00 61.22 H new ATOM 0 HG2 LYS A 39 -9.849 -3.780 9.443 1.00 40.41 H new ATOM 0 HG3 LYS A 39 -10.980 -3.888 8.109 1.00 40.41 H new ATOM 0 HD2 LYS A 39 -11.843 -5.176 10.004 1.00 3.22 H new ATOM 0 HD3 LYS A 39 -11.448 -6.271 8.694 1.00 3.22 H new ATOM 0 HE2 LYS A 39 -9.243 -6.753 9.778 1.00 20.45 H new ATOM 0 HE3 LYS A 39 -9.668 -5.682 11.099 1.00 20.45 H new ATOM 0 HZ1 LYS A 39 -10.073 -8.217 11.292 1.00 3.33 H new ATOM 0 HZ2 LYS A 39 -11.224 -7.134 11.910 1.00 3.33 H new ATOM 0 HZ3 LYS A 39 -11.489 -7.891 10.413 1.00 3.33 H new ATOM 671 N LYS A 40 -6.699 -4.102 9.446 1.00 71.54 N ATOM 672 CA LYS A 40 -6.145 -3.691 10.741 1.00 71.24 C ATOM 673 C LYS A 40 -5.264 -2.433 10.621 1.00 14.33 C ATOM 674 O LYS A 40 -5.201 -1.621 11.544 1.00 13.13 O ATOM 675 CB LYS A 40 -5.363 -4.869 11.331 1.00 74.42 C ATOM 676 CG LYS A 40 -4.830 -4.662 12.749 1.00 63.31 C ATOM 677 CD LYS A 40 -4.596 -6.004 13.443 1.00 61.31 C ATOM 678 CE LYS A 40 -3.733 -6.947 12.605 1.00 23.22 C ATOM 679 NZ LYS A 40 -3.852 -8.358 13.058 1.00 12.24 N ATOM 0 H LYS A 40 -6.383 -5.021 9.137 1.00 71.54 H new ATOM 0 HA LYS A 40 -6.963 -3.421 11.409 1.00 71.24 H new ATOM 0 HB2 LYS A 40 -6.008 -5.748 11.329 1.00 74.42 H new ATOM 0 HB3 LYS A 40 -4.522 -5.089 10.674 1.00 74.42 H new ATOM 0 HG2 LYS A 40 -3.898 -4.099 12.713 1.00 63.31 H new ATOM 0 HG3 LYS A 40 -5.539 -4.068 13.326 1.00 63.31 H new ATOM 0 HD2 LYS A 40 -4.115 -5.834 14.406 1.00 61.31 H new ATOM 0 HD3 LYS A 40 -5.556 -6.478 13.646 1.00 61.31 H new ATOM 0 HE2 LYS A 40 -4.029 -6.876 11.558 1.00 23.22 H new ATOM 0 HE3 LYS A 40 -2.691 -6.634 12.664 1.00 23.22 H new ATOM 0 HZ1 LYS A 40 -3.042 -8.906 12.704 1.00 12.24 H new ATOM 0 HZ2 LYS A 40 -3.863 -8.389 14.097 1.00 12.24 H new ATOM 0 HZ3 LYS A 40 -4.734 -8.767 12.690 1.00 12.24 H new ATOM 693 N TYR A 41 -4.586 -2.272 9.483 1.00 73.12 N ATOM 694 CA TYR A 41 -3.854 -1.032 9.198 1.00 33.14 C ATOM 695 C TYR A 41 -4.835 0.093 8.842 1.00 61.41 C ATOM 696 O TYR A 41 -4.661 1.246 9.247 1.00 51.32 O ATOM 697 CB TYR A 41 -2.854 -1.229 8.047 1.00 2.04 C ATOM 698 CG TYR A 41 -1.730 -2.199 8.358 1.00 40.31 C ATOM 699 CD1 TYR A 41 -0.704 -1.852 9.233 1.00 44.45 C ATOM 700 CD2 TYR A 41 -1.689 -3.458 7.775 1.00 22.25 C ATOM 701 CE1 TYR A 41 0.324 -2.732 9.513 1.00 0.31 C ATOM 702 CE2 TYR A 41 -0.666 -4.343 8.051 1.00 32.35 C ATOM 703 CZ TYR A 41 0.336 -3.976 8.919 1.00 35.10 C ATOM 704 OH TYR A 41 1.355 -4.858 9.193 1.00 43.23 O ATOM 0 H TYR A 41 -4.527 -2.977 8.748 1.00 73.12 H new ATOM 0 HA TYR A 41 -3.298 -0.759 10.095 1.00 33.14 H new ATOM 0 HB2 TYR A 41 -3.393 -1.585 7.169 1.00 2.04 H new ATOM 0 HB3 TYR A 41 -2.423 -0.263 7.786 1.00 2.04 H new ATOM 0 HD1 TYR A 41 -0.712 -0.879 9.701 1.00 44.45 H new ATOM 0 HD2 TYR A 41 -2.473 -3.751 7.092 1.00 22.25 H new ATOM 0 HE1 TYR A 41 1.113 -2.447 10.193 1.00 0.31 H new ATOM 0 HE2 TYR A 41 -0.652 -5.319 7.588 1.00 32.35 H new ATOM 0 HH TYR A 41 1.734 -5.192 8.353 1.00 43.23 H new ATOM 714 N LEU A 42 -5.876 -0.261 8.091 1.00 20.55 N ATOM 715 CA LEU A 42 -6.917 0.690 7.691 1.00 64.10 C ATOM 716 C LEU A 42 -7.646 1.292 8.909 1.00 24.01 C ATOM 717 O LEU A 42 -8.161 2.408 8.840 1.00 75.24 O ATOM 718 CB LEU A 42 -7.926 0.006 6.758 1.00 42.53 C ATOM 719 CG LEU A 42 -7.390 -0.407 5.378 1.00 54.25 C ATOM 720 CD1 LEU A 42 -8.499 -1.038 4.539 1.00 21.22 C ATOM 721 CD2 LEU A 42 -6.776 0.787 4.648 1.00 10.44 C ATOM 0 H LEU A 42 -6.023 -1.208 7.743 1.00 20.55 H new ATOM 0 HA LEU A 42 -6.429 1.508 7.162 1.00 64.10 H new ATOM 0 HB2 LEU A 42 -8.310 -0.883 7.258 1.00 42.53 H new ATOM 0 HB3 LEU A 42 -8.771 0.679 6.612 1.00 42.53 H new ATOM 0 HG LEU A 42 -6.606 -1.149 5.529 1.00 54.25 H new ATOM 0 HD11 LEU A 42 -8.101 -1.324 3.565 1.00 21.22 H new ATOM 0 HD12 LEU A 42 -8.882 -1.922 5.048 1.00 21.22 H new ATOM 0 HD13 LEU A 42 -9.307 -0.319 4.404 1.00 21.22 H new ATOM 0 HD21 LEU A 42 -6.405 0.467 3.675 1.00 10.44 H new ATOM 0 HD22 LEU A 42 -7.534 1.559 4.511 1.00 10.44 H new ATOM 0 HD23 LEU A 42 -5.951 1.188 5.237 1.00 10.44 H new ATOM 733 N GLU A 43 -7.678 0.548 10.020 1.00 34.13 N ATOM 734 CA GLU A 43 -8.275 1.036 11.276 1.00 62.40 C ATOM 735 C GLU A 43 -7.700 2.409 11.661 1.00 5.50 C ATOM 736 O GLU A 43 -8.439 3.361 11.917 1.00 4.11 O ATOM 737 CB GLU A 43 -8.000 0.037 12.415 1.00 64.53 C ATOM 738 CG GLU A 43 -8.644 -1.338 12.236 1.00 12.21 C ATOM 739 CD GLU A 43 -10.135 -1.344 12.535 1.00 12.41 C ATOM 740 OE1 GLU A 43 -10.508 -1.107 13.704 1.00 13.12 O ATOM 741 OE2 GLU A 43 -10.941 -1.599 11.615 1.00 14.03 O ATOM 0 H GLU A 43 -7.298 -0.397 10.079 1.00 34.13 H new ATOM 0 HA GLU A 43 -9.350 1.134 11.121 1.00 62.40 H new ATOM 0 HB2 GLU A 43 -6.922 -0.093 12.512 1.00 64.53 H new ATOM 0 HB3 GLU A 43 -8.355 0.469 13.351 1.00 64.53 H new ATOM 0 HG2 GLU A 43 -8.484 -1.677 11.212 1.00 12.21 H new ATOM 0 HG3 GLU A 43 -8.146 -2.053 12.890 1.00 12.21 H new ATOM 748 N GLU A 44 -6.373 2.496 11.683 1.00 75.54 N ATOM 749 CA GLU A 44 -5.675 3.751 11.982 1.00 14.23 C ATOM 750 C GLU A 44 -5.878 4.782 10.858 1.00 73.41 C ATOM 751 O GLU A 44 -5.997 5.982 11.108 1.00 45.33 O ATOM 752 CB GLU A 44 -4.174 3.468 12.183 1.00 33.52 C ATOM 753 CG GLU A 44 -3.302 4.711 12.395 1.00 1.44 C ATOM 754 CD GLU A 44 -3.638 5.485 13.663 1.00 61.31 C ATOM 755 OE1 GLU A 44 -3.781 4.859 14.735 1.00 64.33 O ATOM 756 OE2 GLU A 44 -3.737 6.730 13.604 1.00 53.41 O ATOM 0 H GLU A 44 -5.752 1.708 11.496 1.00 75.54 H new ATOM 0 HA GLU A 44 -6.092 4.171 12.897 1.00 14.23 H new ATOM 0 HB2 GLU A 44 -4.056 2.809 13.043 1.00 33.52 H new ATOM 0 HB3 GLU A 44 -3.802 2.926 11.313 1.00 33.52 H new ATOM 0 HG2 GLU A 44 -2.256 4.408 12.431 1.00 1.44 H new ATOM 0 HG3 GLU A 44 -3.413 5.373 11.536 1.00 1.44 H new ATOM 763 N PHE A 45 -5.946 4.303 9.620 1.00 24.10 N ATOM 764 CA PHE A 45 -6.031 5.183 8.451 1.00 53.10 C ATOM 765 C PHE A 45 -7.414 5.851 8.299 1.00 73.05 C ATOM 766 O PHE A 45 -7.540 6.869 7.617 1.00 23.41 O ATOM 767 CB PHE A 45 -5.654 4.404 7.183 1.00 64.31 C ATOM 768 CG PHE A 45 -4.243 3.850 7.213 1.00 33.12 C ATOM 769 CD1 PHE A 45 -3.254 4.458 7.980 1.00 23.23 C ATOM 770 CD2 PHE A 45 -3.906 2.724 6.477 1.00 55.05 C ATOM 771 CE1 PHE A 45 -1.968 3.955 8.008 1.00 74.33 C ATOM 772 CE2 PHE A 45 -2.619 2.220 6.503 1.00 50.45 C ATOM 773 CZ PHE A 45 -1.650 2.835 7.268 1.00 32.52 C ATOM 0 H PHE A 45 -5.944 3.308 9.396 1.00 24.10 H new ATOM 0 HA PHE A 45 -5.319 5.994 8.603 1.00 53.10 H new ATOM 0 HB2 PHE A 45 -6.356 3.581 7.049 1.00 64.31 H new ATOM 0 HB3 PHE A 45 -5.761 5.059 6.318 1.00 64.31 H new ATOM 0 HD1 PHE A 45 -3.495 5.335 8.562 1.00 23.23 H new ATOM 0 HD2 PHE A 45 -4.658 2.235 5.876 1.00 55.05 H new ATOM 0 HE1 PHE A 45 -1.212 4.438 8.609 1.00 74.33 H new ATOM 0 HE2 PHE A 45 -2.372 1.343 5.923 1.00 50.45 H new ATOM 0 HZ PHE A 45 -0.645 2.441 7.288 1.00 32.52 H new ATOM 783 N ARG A 46 -8.446 5.286 8.930 1.00 74.14 N ATOM 784 CA ARG A 46 -9.775 5.926 8.955 1.00 35.05 C ATOM 785 C ARG A 46 -9.726 7.262 9.710 1.00 31.01 C ATOM 786 O ARG A 46 -10.327 8.255 9.295 1.00 43.22 O ATOM 787 CB ARG A 46 -10.808 5.022 9.638 1.00 31.42 C ATOM 788 CG ARG A 46 -11.095 3.717 8.913 1.00 31.53 C ATOM 789 CD ARG A 46 -12.092 2.868 9.691 1.00 24.33 C ATOM 790 NE ARG A 46 -11.651 2.656 11.071 1.00 23.31 N ATOM 791 CZ ARG A 46 -11.983 1.635 11.807 1.00 73.13 C ATOM 792 NH1 ARG A 46 -12.784 0.722 11.359 1.00 64.14 N ATOM 793 NH2 ARG A 46 -11.524 1.545 13.012 1.00 20.14 N ATOM 0 H ARG A 46 -8.395 4.397 9.427 1.00 74.14 H new ATOM 0 HA ARG A 46 -10.067 6.099 7.919 1.00 35.05 H new ATOM 0 HB2 ARG A 46 -10.459 4.792 10.645 1.00 31.42 H new ATOM 0 HB3 ARG A 46 -11.741 5.576 9.743 1.00 31.42 H new ATOM 0 HG2 ARG A 46 -11.489 3.928 7.919 1.00 31.53 H new ATOM 0 HG3 ARG A 46 -10.167 3.161 8.776 1.00 31.53 H new ATOM 0 HD2 ARG A 46 -13.067 3.356 9.690 1.00 24.33 H new ATOM 0 HD3 ARG A 46 -12.217 1.905 9.195 1.00 24.33 H new ATOM 0 HE ARG A 46 -11.039 3.359 11.486 1.00 23.31 H new ATOM 0 HH11 ARG A 46 -13.165 0.796 10.416 1.00 64.14 H new ATOM 0 HH12 ARG A 46 -13.034 -0.072 11.949 1.00 64.14 H new ATOM 0 HH21 ARG A 46 -10.907 2.270 13.378 1.00 20.14 H new ATOM 0 HH22 ARG A 46 -11.778 0.749 13.597 1.00 20.14 H new ATOM 807 N LYS A 47 -9.003 7.262 10.826 1.00 63.22 N ATOM 808 CA LYS A 47 -8.890 8.430 11.709 1.00 52.01 C ATOM 809 C LYS A 47 -8.498 9.702 10.937 1.00 22.44 C ATOM 810 O LYS A 47 -9.274 10.655 10.852 1.00 14.10 O ATOM 811 CB LYS A 47 -7.856 8.125 12.801 1.00 72.24 C ATOM 812 CG LYS A 47 -8.212 6.905 13.654 1.00 21.20 C ATOM 813 CD LYS A 47 -7.016 6.390 14.454 1.00 11.30 C ATOM 814 CE LYS A 47 -6.464 7.437 15.413 1.00 33.55 C ATOM 815 NZ LYS A 47 -5.214 6.976 16.069 1.00 13.12 N ATOM 0 H LYS A 47 -8.475 6.451 11.149 1.00 63.22 H new ATOM 0 HA LYS A 47 -9.865 8.622 12.157 1.00 52.01 H new ATOM 0 HB2 LYS A 47 -6.884 7.962 12.335 1.00 72.24 H new ATOM 0 HB3 LYS A 47 -7.756 8.995 13.449 1.00 72.24 H new ATOM 0 HG2 LYS A 47 -9.019 7.166 14.338 1.00 21.20 H new ATOM 0 HG3 LYS A 47 -8.585 6.109 13.009 1.00 21.20 H new ATOM 0 HD2 LYS A 47 -7.313 5.506 15.018 1.00 11.30 H new ATOM 0 HD3 LYS A 47 -6.229 6.080 13.767 1.00 11.30 H new ATOM 0 HE2 LYS A 47 -6.270 8.362 14.870 1.00 33.55 H new ATOM 0 HE3 LYS A 47 -7.211 7.664 16.173 1.00 33.55 H new ATOM 0 HZ1 LYS A 47 -5.340 6.986 17.101 1.00 13.12 H new ATOM 0 HZ2 LYS A 47 -4.994 6.009 15.756 1.00 13.12 H new ATOM 0 HZ3 LYS A 47 -4.432 7.610 15.810 1.00 13.12 H new ATOM 829 N GLU A 48 -7.305 9.706 10.351 1.00 41.42 N ATOM 830 CA GLU A 48 -6.833 10.860 9.578 1.00 72.23 C ATOM 831 C GLU A 48 -7.324 10.848 8.121 1.00 70.21 C ATOM 832 O GLU A 48 -6.675 11.420 7.242 1.00 4.31 O ATOM 833 CB GLU A 48 -5.298 10.939 9.618 1.00 55.32 C ATOM 834 CG GLU A 48 -4.759 11.846 10.719 1.00 63.22 C ATOM 835 CD GLU A 48 -5.249 13.283 10.579 1.00 23.11 C ATOM 836 OE1 GLU A 48 -5.111 13.864 9.480 1.00 71.04 O ATOM 837 OE2 GLU A 48 -5.762 13.844 11.568 1.00 74.32 O ATOM 0 H GLU A 48 -6.646 8.928 10.394 1.00 41.42 H new ATOM 0 HA GLU A 48 -7.259 11.746 10.049 1.00 72.23 H new ATOM 0 HB2 GLU A 48 -4.895 9.936 9.756 1.00 55.32 H new ATOM 0 HB3 GLU A 48 -4.936 11.298 8.654 1.00 55.32 H new ATOM 0 HG2 GLU A 48 -5.062 11.454 11.690 1.00 63.22 H new ATOM 0 HG3 GLU A 48 -3.669 11.833 10.696 1.00 63.22 H new ATOM 844 N SER A 49 -8.494 10.251 7.869 1.00 53.31 N ATOM 845 CA SER A 49 -9.110 10.294 6.527 1.00 1.31 C ATOM 846 C SER A 49 -9.237 11.741 6.031 1.00 73.13 C ATOM 847 O SER A 49 -9.397 11.995 4.837 1.00 52.31 O ATOM 848 CB SER A 49 -10.490 9.624 6.529 1.00 60.11 C ATOM 849 OG SER A 49 -11.077 9.626 5.233 1.00 62.14 O ATOM 0 H SER A 49 -9.033 9.736 8.565 1.00 53.31 H new ATOM 0 HA SER A 49 -8.457 9.743 5.850 1.00 1.31 H new ATOM 0 HB2 SER A 49 -10.396 8.598 6.884 1.00 60.11 H new ATOM 0 HB3 SER A 49 -11.146 10.144 7.227 1.00 60.11 H new ATOM 0 HG SER A 49 -10.370 9.632 4.554 1.00 62.14 H new ATOM 855 N GLN A 50 -9.150 12.681 6.972 1.00 32.31 N ATOM 856 CA GLN A 50 -9.171 14.115 6.676 1.00 33.23 C ATOM 857 C GLN A 50 -8.035 14.518 5.714 1.00 43.42 C ATOM 858 O GLN A 50 -8.253 15.273 4.763 1.00 42.24 O ATOM 859 CB GLN A 50 -9.028 14.909 7.985 1.00 4.14 C ATOM 860 CG GLN A 50 -9.955 14.437 9.104 1.00 71.13 C ATOM 861 CD GLN A 50 -11.429 14.664 8.808 1.00 53.13 C ATOM 862 OE1 GLN A 50 -11.747 15.747 8.130 1.00 42.05 O flip ATOM 863 NE2 GLN A 50 -12.284 13.882 9.212 1.00 34.11 N flip ATOM 0 H GLN A 50 -9.063 12.469 7.966 1.00 32.31 H new ATOM 0 HA GLN A 50 -10.121 14.342 6.192 1.00 33.23 H new ATOM 0 HB2 GLN A 50 -7.996 14.840 8.329 1.00 4.14 H new ATOM 0 HB3 GLN A 50 -9.226 15.962 7.783 1.00 4.14 H new ATOM 0 HG2 GLN A 50 -9.787 13.374 9.280 1.00 71.13 H new ATOM 0 HG3 GLN A 50 -9.693 14.957 10.025 1.00 71.13 H new ATOM 0 HE21 GLN A 50 -12.009 13.051 9.735 1.00 34.11 H new ATOM 0 HE22 GLN A 50 -13.270 14.063 9.025 1.00 34.11 H new ATOM 872 N ASN A 51 -6.822 14.012 5.974 1.00 64.11 N ATOM 873 CA ASN A 51 -5.627 14.420 5.212 1.00 42.24 C ATOM 874 C ASN A 51 -4.800 13.215 4.716 1.00 0.45 C ATOM 875 O ASN A 51 -3.684 13.388 4.226 1.00 2.42 O ATOM 876 CB ASN A 51 -4.722 15.301 6.090 1.00 14.14 C ATOM 877 CG ASN A 51 -5.464 16.444 6.756 1.00 15.02 C ATOM 878 OD1 ASN A 51 -5.603 17.526 6.196 1.00 34.35 O ATOM 879 ND2 ASN A 51 -5.931 16.221 7.969 1.00 22.25 N ATOM 0 H ASN A 51 -6.639 13.322 6.703 1.00 64.11 H new ATOM 0 HA ASN A 51 -5.984 14.971 4.342 1.00 42.24 H new ATOM 0 HB2 ASN A 51 -4.258 14.682 6.858 1.00 14.14 H new ATOM 0 HB3 ASN A 51 -3.917 15.707 5.478 1.00 14.14 H new ATOM 0 HD21 ASN A 51 -6.425 16.960 8.469 1.00 22.25 H new ATOM 0 HD22 ASN A 51 -5.799 15.309 8.407 1.00 22.25 H new ATOM 886 N ILE A 52 -5.333 12.003 4.838 1.00 61.33 N ATOM 887 CA ILE A 52 -4.547 10.794 4.543 1.00 70.13 C ATOM 888 C ILE A 52 -4.726 10.292 3.097 1.00 3.31 C ATOM 889 O ILE A 52 -5.763 10.497 2.463 1.00 40.12 O ATOM 890 CB ILE A 52 -4.897 9.642 5.520 1.00 40.02 C ATOM 891 CG1 ILE A 52 -3.762 8.609 5.566 1.00 74.35 C ATOM 892 CG2 ILE A 52 -6.207 8.969 5.113 1.00 62.10 C ATOM 893 CD1 ILE A 52 -3.982 7.515 6.585 1.00 52.33 C ATOM 0 H ILE A 52 -6.293 11.825 5.135 1.00 61.33 H new ATOM 0 HA ILE A 52 -3.505 11.088 4.671 1.00 70.13 H new ATOM 0 HB ILE A 52 -5.021 10.068 6.516 1.00 40.02 H new ATOM 0 HG12 ILE A 52 -3.651 8.159 4.580 1.00 74.35 H new ATOM 0 HG13 ILE A 52 -2.826 9.120 5.790 1.00 74.35 H new ATOM 0 HG21 ILE A 52 -6.435 8.164 5.811 1.00 62.10 H new ATOM 0 HG22 ILE A 52 -7.013 9.702 5.130 1.00 62.10 H new ATOM 0 HG23 ILE A 52 -6.109 8.560 4.107 1.00 62.10 H new ATOM 0 HD11 ILE A 52 -3.141 6.822 6.562 1.00 52.33 H new ATOM 0 HD12 ILE A 52 -4.063 7.955 7.579 1.00 52.33 H new ATOM 0 HD13 ILE A 52 -4.901 6.978 6.350 1.00 52.33 H new ATOM 905 N LYS A 53 -3.681 9.647 2.589 1.00 73.23 N ATOM 906 CA LYS A 53 -3.707 8.953 1.297 1.00 12.43 C ATOM 907 C LYS A 53 -2.915 7.636 1.422 1.00 51.51 C ATOM 908 O LYS A 53 -1.722 7.655 1.740 1.00 74.40 O ATOM 909 CB LYS A 53 -3.072 9.830 0.203 1.00 4.03 C ATOM 910 CG LYS A 53 -3.668 11.239 0.055 1.00 34.53 C ATOM 911 CD LYS A 53 -4.623 11.364 -1.138 1.00 21.40 C ATOM 912 CE LYS A 53 -5.974 10.700 -0.886 1.00 14.32 C ATOM 913 NZ LYS A 53 -6.772 11.416 0.149 1.00 4.55 N ATOM 0 H LYS A 53 -2.780 9.588 3.064 1.00 73.23 H new ATOM 0 HA LYS A 53 -4.741 8.746 1.022 1.00 12.43 H new ATOM 0 HB2 LYS A 53 -2.006 9.925 0.411 1.00 4.03 H new ATOM 0 HB3 LYS A 53 -3.165 9.313 -0.752 1.00 4.03 H new ATOM 0 HG2 LYS A 53 -4.202 11.500 0.969 1.00 34.53 H new ATOM 0 HG3 LYS A 53 -2.858 11.960 -0.058 1.00 34.53 H new ATOM 0 HD2 LYS A 53 -4.778 12.419 -1.364 1.00 21.40 H new ATOM 0 HD3 LYS A 53 -4.160 10.914 -2.017 1.00 21.40 H new ATOM 0 HE2 LYS A 53 -6.539 10.666 -1.818 1.00 14.32 H new ATOM 0 HE3 LYS A 53 -5.816 9.669 -0.571 1.00 14.32 H new ATOM 0 HZ1 LYS A 53 -7.785 11.253 -0.020 1.00 4.55 H new ATOM 0 HZ2 LYS A 53 -6.516 11.060 1.092 1.00 4.55 H new ATOM 0 HZ3 LYS A 53 -6.572 12.435 0.098 1.00 4.55 H new ATOM 927 N VAL A 54 -3.567 6.496 1.194 1.00 72.11 N ATOM 928 CA VAL A 54 -2.913 5.186 1.379 1.00 61.25 C ATOM 929 C VAL A 54 -2.601 4.489 0.041 1.00 60.42 C ATOM 930 O VAL A 54 -3.502 4.150 -0.713 1.00 43.21 O ATOM 931 CB VAL A 54 -3.790 4.246 2.243 1.00 70.55 C ATOM 932 CG1 VAL A 54 -3.075 2.921 2.510 1.00 11.13 C ATOM 933 CG2 VAL A 54 -4.183 4.929 3.553 1.00 41.22 C ATOM 0 H VAL A 54 -4.537 6.445 0.884 1.00 72.11 H new ATOM 0 HA VAL A 54 -1.970 5.387 1.888 1.00 61.25 H new ATOM 0 HB VAL A 54 -4.701 4.026 1.687 1.00 70.55 H new ATOM 0 HG11 VAL A 54 -3.713 2.280 3.119 1.00 11.13 H new ATOM 0 HG12 VAL A 54 -2.861 2.426 1.563 1.00 11.13 H new ATOM 0 HG13 VAL A 54 -2.141 3.112 3.039 1.00 11.13 H new ATOM 0 HG21 VAL A 54 -4.799 4.252 4.146 1.00 41.22 H new ATOM 0 HG22 VAL A 54 -3.284 5.186 4.113 1.00 41.22 H new ATOM 0 HG23 VAL A 54 -4.747 5.836 3.335 1.00 41.22 H new ATOM 943 N LEU A 55 -1.319 4.266 -0.235 1.00 33.24 N ATOM 944 CA LEU A 55 -0.881 3.559 -1.449 1.00 33.33 C ATOM 945 C LEU A 55 -0.773 2.049 -1.193 1.00 20.33 C ATOM 946 O LEU A 55 0.026 1.615 -0.368 1.00 51.52 O ATOM 947 CB LEU A 55 0.486 4.099 -1.897 1.00 42.14 C ATOM 948 CG LEU A 55 1.123 3.392 -3.109 1.00 50.11 C ATOM 949 CD1 LEU A 55 0.331 3.665 -4.386 1.00 10.04 C ATOM 950 CD2 LEU A 55 2.585 3.811 -3.271 1.00 54.14 C ATOM 0 H LEU A 55 -0.553 4.566 0.369 1.00 33.24 H new ATOM 0 HA LEU A 55 -1.621 3.728 -2.231 1.00 33.33 H new ATOM 0 HB2 LEU A 55 0.377 5.157 -2.134 1.00 42.14 H new ATOM 0 HB3 LEU A 55 1.176 4.030 -1.056 1.00 42.14 H new ATOM 0 HG LEU A 55 1.095 2.318 -2.926 1.00 50.11 H new ATOM 0 HD11 LEU A 55 0.804 3.153 -5.224 1.00 10.04 H new ATOM 0 HD12 LEU A 55 -0.689 3.299 -4.267 1.00 10.04 H new ATOM 0 HD13 LEU A 55 0.312 4.737 -4.580 1.00 10.04 H new ATOM 0 HD21 LEU A 55 3.016 3.301 -4.132 1.00 54.14 H new ATOM 0 HD22 LEU A 55 2.640 4.889 -3.423 1.00 54.14 H new ATOM 0 HD23 LEU A 55 3.142 3.542 -2.373 1.00 54.14 H new ATOM 962 N ILE A 56 -1.566 1.249 -1.902 1.00 62.52 N ATOM 963 CA ILE A 56 -1.573 -0.208 -1.698 1.00 5.31 C ATOM 964 C ILE A 56 -1.014 -0.958 -2.920 1.00 4.00 C ATOM 965 O ILE A 56 -1.512 -0.808 -4.035 1.00 14.22 O ATOM 966 CB ILE A 56 -3.004 -0.728 -1.395 1.00 55.04 C ATOM 967 CG1 ILE A 56 -3.606 0.016 -0.188 1.00 4.02 C ATOM 968 CG2 ILE A 56 -2.983 -2.239 -1.147 1.00 41.21 C ATOM 969 CD1 ILE A 56 -5.019 -0.410 0.155 1.00 22.55 C ATOM 0 H ILE A 56 -2.211 1.577 -2.621 1.00 62.52 H new ATOM 0 HA ILE A 56 -0.929 -0.403 -0.840 1.00 5.31 H new ATOM 0 HB ILE A 56 -3.634 -0.533 -2.263 1.00 55.04 H new ATOM 0 HG12 ILE A 56 -2.968 -0.145 0.681 1.00 4.02 H new ATOM 0 HG13 ILE A 56 -3.600 1.086 -0.394 1.00 4.02 H new ATOM 0 HG21 ILE A 56 -3.994 -2.587 -0.936 1.00 41.21 H new ATOM 0 HG22 ILE A 56 -2.601 -2.748 -2.032 1.00 41.21 H new ATOM 0 HG23 ILE A 56 -2.339 -2.459 -0.296 1.00 41.21 H new ATOM 0 HD11 ILE A 56 -5.372 0.159 1.015 1.00 22.55 H new ATOM 0 HD12 ILE A 56 -5.672 -0.223 -0.697 1.00 22.55 H new ATOM 0 HD13 ILE A 56 -5.031 -1.473 0.394 1.00 22.55 H new ATOM 981 N LEU A 57 0.023 -1.771 -2.703 1.00 34.45 N ATOM 982 CA LEU A 57 0.623 -2.585 -3.773 1.00 72.10 C ATOM 983 C LEU A 57 0.367 -4.077 -3.527 1.00 60.40 C ATOM 984 O LEU A 57 0.839 -4.639 -2.540 1.00 61.31 O ATOM 985 CB LEU A 57 2.138 -2.332 -3.882 1.00 65.54 C ATOM 986 CG LEU A 57 2.558 -0.931 -4.371 1.00 3.22 C ATOM 987 CD1 LEU A 57 1.805 -0.548 -5.642 1.00 75.41 C ATOM 988 CD2 LEU A 57 2.360 0.119 -3.280 1.00 54.03 C ATOM 0 H LEU A 57 0.469 -1.886 -1.793 1.00 34.45 H new ATOM 0 HA LEU A 57 0.152 -2.291 -4.711 1.00 72.10 H new ATOM 0 HB2 LEU A 57 2.586 -2.502 -2.903 1.00 65.54 H new ATOM 0 HB3 LEU A 57 2.562 -3.073 -4.559 1.00 65.54 H new ATOM 0 HG LEU A 57 3.622 -0.967 -4.607 1.00 3.22 H new ATOM 0 HD11 LEU A 57 2.119 0.444 -5.966 1.00 75.41 H new ATOM 0 HD12 LEU A 57 2.024 -1.272 -6.427 1.00 75.41 H new ATOM 0 HD13 LEU A 57 0.733 -0.542 -5.442 1.00 75.41 H new ATOM 0 HD21 LEU A 57 2.665 1.096 -3.655 1.00 54.03 H new ATOM 0 HD22 LEU A 57 1.309 0.152 -2.994 1.00 54.03 H new ATOM 0 HD23 LEU A 57 2.965 -0.141 -2.411 1.00 54.03 H new ATOM 1000 N VAL A 58 -0.371 -4.717 -4.428 1.00 12.40 N ATOM 1001 CA VAL A 58 -0.758 -6.123 -4.261 1.00 12.35 C ATOM 1002 C VAL A 58 -0.060 -7.043 -5.277 1.00 4.23 C ATOM 1003 O VAL A 58 0.382 -6.594 -6.331 1.00 12.34 O ATOM 1004 CB VAL A 58 -2.286 -6.288 -4.408 1.00 55.20 C ATOM 1005 CG1 VAL A 58 -3.029 -5.383 -3.429 1.00 15.04 C ATOM 1006 CG2 VAL A 58 -2.723 -6.019 -5.847 1.00 13.42 C ATOM 0 H VAL A 58 -0.717 -4.287 -5.286 1.00 12.40 H new ATOM 0 HA VAL A 58 -0.444 -6.415 -3.259 1.00 12.35 H new ATOM 0 HB VAL A 58 -2.541 -7.320 -4.166 1.00 55.20 H new ATOM 0 HG11 VAL A 58 -4.104 -5.518 -3.553 1.00 15.04 H new ATOM 0 HG12 VAL A 58 -2.746 -5.641 -2.408 1.00 15.04 H new ATOM 0 HG13 VAL A 58 -2.769 -4.343 -3.626 1.00 15.04 H new ATOM 0 HG21 VAL A 58 -3.803 -6.141 -5.928 1.00 13.42 H new ATOM 0 HG22 VAL A 58 -2.451 -5.001 -6.126 1.00 13.42 H new ATOM 0 HG23 VAL A 58 -2.227 -6.723 -6.515 1.00 13.42 H new ATOM 1016 N SER A 59 0.019 -8.335 -4.955 1.00 32.43 N ATOM 1017 CA SER A 59 0.630 -9.330 -5.855 1.00 62.43 C ATOM 1018 C SER A 59 -0.330 -9.767 -6.981 1.00 11.44 C ATOM 1019 O SER A 59 -0.003 -9.671 -8.162 1.00 54.12 O ATOM 1020 CB SER A 59 1.078 -10.567 -5.059 1.00 74.12 C ATOM 1021 OG SER A 59 1.611 -11.575 -5.909 1.00 22.43 O ATOM 0 H SER A 59 -0.331 -8.723 -4.079 1.00 32.43 H new ATOM 0 HA SER A 59 1.494 -8.852 -6.317 1.00 62.43 H new ATOM 0 HB2 SER A 59 1.829 -10.275 -4.325 1.00 74.12 H new ATOM 0 HB3 SER A 59 0.230 -10.969 -4.504 1.00 74.12 H new ATOM 0 HG SER A 59 0.877 -12.086 -6.310 1.00 22.43 H new ATOM 1027 N ASN A 60 -1.516 -10.252 -6.607 1.00 70.44 N ATOM 1028 CA ASN A 60 -2.480 -10.797 -7.583 1.00 41.24 C ATOM 1029 C ASN A 60 -3.687 -9.862 -7.772 1.00 13.45 C ATOM 1030 O ASN A 60 -3.925 -8.963 -6.964 1.00 54.23 O ATOM 1031 CB ASN A 60 -2.983 -12.176 -7.125 1.00 72.20 C ATOM 1032 CG ASN A 60 -1.871 -13.099 -6.655 1.00 72.43 C ATOM 1033 OD1 ASN A 60 -0.733 -13.016 -7.102 1.00 41.05 O ATOM 1034 ND2 ASN A 60 -2.196 -13.991 -5.739 1.00 40.01 N ATOM 0 H ASN A 60 -1.837 -10.281 -5.639 1.00 70.44 H new ATOM 0 HA ASN A 60 -1.958 -10.888 -8.535 1.00 41.24 H new ATOM 0 HB2 ASN A 60 -3.700 -12.042 -6.315 1.00 72.20 H new ATOM 0 HB3 ASN A 60 -3.516 -12.652 -7.948 1.00 72.20 H new ATOM 0 HD21 ASN A 60 -1.491 -14.637 -5.383 1.00 40.01 H new ATOM 0 HD22 ASN A 60 -3.152 -14.035 -5.387 1.00 40.01 H new ATOM 1041 N ASP A 61 -4.463 -10.097 -8.830 1.00 22.24 N ATOM 1042 CA ASP A 61 -5.679 -9.318 -9.088 1.00 5.23 C ATOM 1043 C ASP A 61 -6.749 -9.579 -8.011 1.00 42.22 C ATOM 1044 O ASP A 61 -7.504 -8.679 -7.642 1.00 73.02 O ATOM 1045 CB ASP A 61 -6.224 -9.647 -10.478 1.00 33.52 C ATOM 1046 CG ASP A 61 -5.230 -9.294 -11.569 1.00 11.54 C ATOM 1047 OD1 ASP A 61 -4.367 -10.134 -11.890 1.00 40.44 O ATOM 1048 OD2 ASP A 61 -5.290 -8.163 -12.097 1.00 4.21 O ATOM 0 H ASP A 61 -4.273 -10.820 -9.524 1.00 22.24 H new ATOM 0 HA ASP A 61 -5.422 -8.259 -9.049 1.00 5.23 H new ATOM 0 HB2 ASP A 61 -6.463 -10.709 -10.533 1.00 33.52 H new ATOM 0 HB3 ASP A 61 -7.154 -9.102 -10.643 1.00 33.52 H new ATOM 1053 N GLU A 62 -6.803 -10.814 -7.513 1.00 74.42 N ATOM 1054 CA GLU A 62 -7.683 -11.160 -6.384 1.00 34.02 C ATOM 1055 C GLU A 62 -7.367 -10.279 -5.162 1.00 32.53 C ATOM 1056 O GLU A 62 -8.268 -9.725 -4.527 1.00 62.03 O ATOM 1057 CB GLU A 62 -7.513 -12.646 -6.027 1.00 42.15 C ATOM 1058 CG GLU A 62 -8.407 -13.130 -4.886 1.00 51.05 C ATOM 1059 CD GLU A 62 -9.890 -13.091 -5.228 1.00 1.45 C ATOM 1060 OE1 GLU A 62 -10.318 -13.854 -6.119 1.00 15.31 O ATOM 1061 OE2 GLU A 62 -10.632 -12.298 -4.606 1.00 4.33 O ATOM 0 H GLU A 62 -6.251 -11.594 -7.869 1.00 74.42 H new ATOM 0 HA GLU A 62 -8.717 -10.980 -6.678 1.00 34.02 H new ATOM 0 HB2 GLU A 62 -7.720 -13.246 -6.913 1.00 42.15 H new ATOM 0 HB3 GLU A 62 -6.472 -12.825 -5.757 1.00 42.15 H new ATOM 0 HG2 GLU A 62 -8.128 -14.150 -4.622 1.00 51.05 H new ATOM 0 HG3 GLU A 62 -8.227 -12.513 -4.006 1.00 51.05 H new ATOM 1068 N GLU A 63 -6.075 -10.145 -4.851 1.00 31.12 N ATOM 1069 CA GLU A 63 -5.618 -9.261 -3.770 1.00 33.32 C ATOM 1070 C GLU A 63 -6.039 -7.810 -4.057 1.00 14.22 C ATOM 1071 O GLU A 63 -6.475 -7.082 -3.166 1.00 62.35 O ATOM 1072 CB GLU A 63 -4.085 -9.314 -3.627 1.00 63.40 C ATOM 1073 CG GLU A 63 -3.453 -10.681 -3.873 1.00 72.12 C ATOM 1074 CD GLU A 63 -3.968 -11.775 -2.956 1.00 32.34 C ATOM 1075 OE1 GLU A 63 -3.450 -11.904 -1.828 1.00 60.40 O ATOM 1076 OE2 GLU A 63 -4.868 -12.528 -3.376 1.00 35.42 O ATOM 0 H GLU A 63 -5.323 -10.638 -5.333 1.00 31.12 H new ATOM 0 HA GLU A 63 -6.077 -9.605 -2.843 1.00 33.32 H new ATOM 0 HB2 GLU A 63 -3.647 -8.599 -4.323 1.00 63.40 H new ATOM 0 HB3 GLU A 63 -3.819 -8.985 -2.623 1.00 63.40 H new ATOM 0 HG2 GLU A 63 -3.635 -10.973 -4.907 1.00 72.12 H new ATOM 0 HG3 GLU A 63 -2.373 -10.598 -3.751 1.00 72.12 H new ATOM 1083 N LEU A 64 -5.890 -7.409 -5.325 1.00 3.22 N ATOM 1084 CA LEU A 64 -6.278 -6.071 -5.799 1.00 42.15 C ATOM 1085 C LEU A 64 -7.735 -5.756 -5.428 1.00 15.33 C ATOM 1086 O LEU A 64 -8.044 -4.673 -4.917 1.00 22.53 O ATOM 1087 CB LEU A 64 -6.083 -5.995 -7.328 1.00 71.53 C ATOM 1088 CG LEU A 64 -6.291 -4.614 -7.973 1.00 21.53 C ATOM 1089 CD1 LEU A 64 -5.246 -3.624 -7.474 1.00 21.24 C ATOM 1090 CD2 LEU A 64 -6.247 -4.715 -9.497 1.00 11.43 C ATOM 0 H LEU A 64 -5.496 -8.003 -6.055 1.00 3.22 H new ATOM 0 HA LEU A 64 -5.644 -5.328 -5.314 1.00 42.15 H new ATOM 0 HB2 LEU A 64 -5.073 -6.333 -7.562 1.00 71.53 H new ATOM 0 HB3 LEU A 64 -6.771 -6.699 -7.796 1.00 71.53 H new ATOM 0 HG LEU A 64 -7.276 -4.250 -7.682 1.00 21.53 H new ATOM 0 HD11 LEU A 64 -5.411 -2.654 -7.942 1.00 21.24 H new ATOM 0 HD12 LEU A 64 -5.328 -3.523 -6.392 1.00 21.24 H new ATOM 0 HD13 LEU A 64 -4.250 -3.986 -7.730 1.00 21.24 H new ATOM 0 HD21 LEU A 64 -6.396 -3.727 -9.932 1.00 11.43 H new ATOM 0 HD22 LEU A 64 -5.278 -5.105 -9.808 1.00 11.43 H new ATOM 0 HD23 LEU A 64 -7.035 -5.385 -9.840 1.00 11.43 H new ATOM 1102 N ASP A 65 -8.623 -6.719 -5.674 1.00 33.24 N ATOM 1103 CA ASP A 65 -10.032 -6.587 -5.303 1.00 3.14 C ATOM 1104 C ASP A 65 -10.211 -6.447 -3.784 1.00 64.43 C ATOM 1105 O ASP A 65 -10.808 -5.482 -3.315 1.00 22.43 O ATOM 1106 CB ASP A 65 -10.843 -7.777 -5.829 1.00 13.35 C ATOM 1107 CG ASP A 65 -11.189 -7.634 -7.302 1.00 33.42 C ATOM 1108 OD1 ASP A 65 -12.109 -6.849 -7.626 1.00 61.34 O ATOM 1109 OD2 ASP A 65 -10.554 -8.305 -8.141 1.00 62.30 O ATOM 0 H ASP A 65 -8.391 -7.601 -6.130 1.00 33.24 H new ATOM 0 HA ASP A 65 -10.406 -5.674 -5.765 1.00 3.14 H new ATOM 0 HB2 ASP A 65 -10.275 -8.695 -5.679 1.00 13.35 H new ATOM 0 HB3 ASP A 65 -11.762 -7.872 -5.250 1.00 13.35 H new ATOM 1114 N LYS A 66 -9.687 -7.402 -3.020 1.00 15.00 N ATOM 1115 CA LYS A 66 -9.816 -7.384 -1.554 1.00 41.23 C ATOM 1116 C LYS A 66 -9.252 -6.095 -0.925 1.00 55.13 C ATOM 1117 O LYS A 66 -9.806 -5.579 0.048 1.00 53.52 O ATOM 1118 CB LYS A 66 -9.124 -8.609 -0.936 1.00 63.32 C ATOM 1119 CG LYS A 66 -9.739 -9.949 -1.341 1.00 15.43 C ATOM 1120 CD LYS A 66 -11.226 -10.063 -0.975 1.00 41.10 C ATOM 1121 CE LYS A 66 -11.482 -10.042 0.534 1.00 61.34 C ATOM 1122 NZ LYS A 66 -11.305 -8.691 1.133 1.00 14.11 N ATOM 0 H LYS A 66 -9.168 -8.200 -3.386 1.00 15.00 H new ATOM 0 HA LYS A 66 -10.883 -7.416 -1.335 1.00 41.23 H new ATOM 0 HB2 LYS A 66 -8.073 -8.603 -1.225 1.00 63.32 H new ATOM 0 HB3 LYS A 66 -9.156 -8.521 0.150 1.00 63.32 H new ATOM 0 HG2 LYS A 66 -9.624 -10.085 -2.416 1.00 15.43 H new ATOM 0 HG3 LYS A 66 -9.189 -10.756 -0.857 1.00 15.43 H new ATOM 0 HD2 LYS A 66 -11.771 -9.242 -1.440 1.00 41.10 H new ATOM 0 HD3 LYS A 66 -11.626 -10.988 -1.391 1.00 41.10 H new ATOM 0 HE2 LYS A 66 -12.496 -10.391 0.730 1.00 61.34 H new ATOM 0 HE3 LYS A 66 -10.804 -10.742 1.022 1.00 61.34 H new ATOM 0 HZ1 LYS A 66 -11.540 -8.727 2.145 1.00 14.11 H new ATOM 0 HZ2 LYS A 66 -10.317 -8.387 1.018 1.00 14.11 H new ATOM 0 HZ3 LYS A 66 -11.934 -8.014 0.655 1.00 14.11 H new ATOM 1136 N ALA A 67 -8.157 -5.579 -1.482 1.00 75.54 N ATOM 1137 CA ALA A 67 -7.528 -4.356 -0.968 1.00 55.54 C ATOM 1138 C ALA A 67 -8.438 -3.127 -1.141 1.00 65.32 C ATOM 1139 O ALA A 67 -8.731 -2.416 -0.176 1.00 34.11 O ATOM 1140 CB ALA A 67 -6.186 -4.129 -1.656 1.00 0.14 C ATOM 0 H ALA A 67 -7.685 -5.986 -2.289 1.00 75.54 H new ATOM 0 HA ALA A 67 -7.364 -4.490 0.101 1.00 55.54 H new ATOM 0 HB1 ALA A 67 -5.727 -3.219 -1.268 1.00 0.14 H new ATOM 0 HB2 ALA A 67 -5.530 -4.977 -1.462 1.00 0.14 H new ATOM 0 HB3 ALA A 67 -6.340 -4.028 -2.730 1.00 0.14 H new ATOM 1146 N LYS A 68 -8.892 -2.882 -2.374 1.00 73.31 N ATOM 1147 CA LYS A 68 -9.822 -1.777 -2.648 1.00 53.30 C ATOM 1148 C LYS A 68 -11.151 -2.009 -1.916 1.00 20.51 C ATOM 1149 O LYS A 68 -11.822 -1.068 -1.489 1.00 41.15 O ATOM 1150 CB LYS A 68 -10.080 -1.657 -4.159 1.00 5.23 C ATOM 1151 CG LYS A 68 -10.973 -2.764 -4.722 1.00 11.02 C ATOM 1152 CD LYS A 68 -11.082 -2.703 -6.245 1.00 62.20 C ATOM 1153 CE LYS A 68 -12.037 -3.767 -6.779 1.00 41.24 C ATOM 1154 NZ LYS A 68 -12.003 -3.867 -8.263 1.00 2.21 N ATOM 0 H LYS A 68 -8.634 -3.429 -3.195 1.00 73.31 H new ATOM 0 HA LYS A 68 -9.372 -0.851 -2.289 1.00 53.30 H new ATOM 0 HB2 LYS A 68 -10.542 -0.691 -4.364 1.00 5.23 H new ATOM 0 HB3 LYS A 68 -9.125 -1.671 -4.684 1.00 5.23 H new ATOM 0 HG2 LYS A 68 -10.574 -3.735 -4.427 1.00 11.02 H new ATOM 0 HG3 LYS A 68 -11.968 -2.682 -4.285 1.00 11.02 H new ATOM 0 HD2 LYS A 68 -11.430 -1.715 -6.547 1.00 62.20 H new ATOM 0 HD3 LYS A 68 -10.096 -2.842 -6.688 1.00 62.20 H new ATOM 0 HE2 LYS A 68 -11.778 -4.733 -6.347 1.00 41.24 H new ATOM 0 HE3 LYS A 68 -13.052 -3.535 -6.456 1.00 41.24 H new ATOM 0 HZ1 LYS A 68 -12.018 -4.868 -8.544 1.00 2.21 H new ATOM 0 HZ2 LYS A 68 -12.832 -3.383 -8.663 1.00 2.21 H new ATOM 0 HZ3 LYS A 68 -11.135 -3.420 -8.621 1.00 2.21 H new ATOM 1168 N GLU A 69 -11.503 -3.285 -1.783 1.00 33.01 N ATOM 1169 CA GLU A 69 -12.737 -3.714 -1.132 1.00 34.34 C ATOM 1170 C GLU A 69 -12.825 -3.180 0.305 1.00 52.10 C ATOM 1171 O GLU A 69 -13.738 -2.428 0.643 1.00 74.05 O ATOM 1172 CB GLU A 69 -12.772 -5.248 -1.116 1.00 10.54 C ATOM 1173 CG GLU A 69 -14.140 -5.845 -0.859 1.00 11.44 C ATOM 1174 CD GLU A 69 -14.062 -7.234 -0.240 1.00 2.43 C ATOM 1175 OE1 GLU A 69 -13.708 -7.341 0.955 1.00 33.24 O ATOM 1176 OE2 GLU A 69 -14.331 -8.227 -0.946 1.00 74.14 O ATOM 0 H GLU A 69 -10.934 -4.058 -2.128 1.00 33.01 H new ATOM 0 HA GLU A 69 -13.587 -3.317 -1.687 1.00 34.34 H new ATOM 0 HB2 GLU A 69 -12.403 -5.617 -2.073 1.00 10.54 H new ATOM 0 HB3 GLU A 69 -12.084 -5.606 -0.350 1.00 10.54 H new ATOM 0 HG2 GLU A 69 -14.702 -5.186 -0.197 1.00 11.44 H new ATOM 0 HG3 GLU A 69 -14.692 -5.899 -1.798 1.00 11.44 H new ATOM 1183 N LEU A 70 -11.861 -3.578 1.141 1.00 33.22 N ATOM 1184 CA LEU A 70 -11.805 -3.132 2.541 1.00 52.31 C ATOM 1185 C LEU A 70 -11.834 -1.601 2.651 1.00 70.41 C ATOM 1186 O LEU A 70 -12.565 -1.041 3.469 1.00 62.45 O ATOM 1187 CB LEU A 70 -10.545 -3.686 3.227 1.00 15.54 C ATOM 1188 CG LEU A 70 -10.577 -5.184 3.573 1.00 23.03 C ATOM 1189 CD1 LEU A 70 -9.252 -5.613 4.197 1.00 53.10 C ATOM 1190 CD2 LEU A 70 -11.746 -5.487 4.511 1.00 23.31 C ATOM 0 H LEU A 70 -11.106 -4.210 0.874 1.00 33.22 H new ATOM 0 HA LEU A 70 -12.690 -3.519 3.045 1.00 52.31 H new ATOM 0 HB2 LEU A 70 -9.689 -3.500 2.578 1.00 15.54 H new ATOM 0 HB3 LEU A 70 -10.377 -3.123 4.145 1.00 15.54 H new ATOM 0 HG LEU A 70 -10.720 -5.754 2.655 1.00 23.03 H new ATOM 0 HD11 LEU A 70 -9.290 -6.676 4.437 1.00 53.10 H new ATOM 0 HD12 LEU A 70 -8.441 -5.429 3.492 1.00 53.10 H new ATOM 0 HD13 LEU A 70 -9.077 -5.042 5.109 1.00 53.10 H new ATOM 0 HD21 LEU A 70 -11.756 -6.551 4.748 1.00 23.31 H new ATOM 0 HD22 LEU A 70 -11.633 -4.912 5.430 1.00 23.31 H new ATOM 0 HD23 LEU A 70 -12.683 -5.214 4.025 1.00 23.31 H new ATOM 1202 N ALA A 71 -11.043 -0.931 1.814 1.00 71.43 N ATOM 1203 CA ALA A 71 -10.995 0.536 1.792 1.00 53.23 C ATOM 1204 C ALA A 71 -12.389 1.150 1.573 1.00 72.45 C ATOM 1205 O ALA A 71 -12.774 2.109 2.244 1.00 12.41 O ATOM 1206 CB ALA A 71 -10.037 1.002 0.708 1.00 34.33 C ATOM 0 H ALA A 71 -10.424 -1.380 1.139 1.00 71.43 H new ATOM 0 HA ALA A 71 -10.638 0.876 2.764 1.00 53.23 H new ATOM 0 HB1 ALA A 71 -10.004 2.091 0.695 1.00 34.33 H new ATOM 0 HB2 ALA A 71 -9.040 0.611 0.911 1.00 34.33 H new ATOM 0 HB3 ALA A 71 -10.379 0.638 -0.261 1.00 34.33 H new ATOM 1212 N GLN A 72 -13.138 0.588 0.627 1.00 74.54 N ATOM 1213 CA GLN A 72 -14.509 1.035 0.347 1.00 23.41 C ATOM 1214 C GLN A 72 -15.480 0.612 1.463 1.00 21.41 C ATOM 1215 O GLN A 72 -16.415 1.338 1.797 1.00 2.35 O ATOM 1216 CB GLN A 72 -14.968 0.478 -1.009 1.00 52.33 C ATOM 1217 CG GLN A 72 -14.293 1.155 -2.199 1.00 52.55 C ATOM 1218 CD GLN A 72 -14.671 0.538 -3.536 1.00 14.14 C ATOM 1219 OE1 GLN A 72 -15.755 -0.011 -3.705 1.00 43.14 O ATOM 1220 NE2 GLN A 72 -13.783 0.638 -4.503 1.00 63.42 N ATOM 0 H GLN A 72 -12.821 -0.181 0.037 1.00 74.54 H new ATOM 0 HA GLN A 72 -14.513 2.124 0.309 1.00 23.41 H new ATOM 0 HB2 GLN A 72 -14.762 -0.592 -1.043 1.00 52.33 H new ATOM 0 HB3 GLN A 72 -16.048 0.597 -1.096 1.00 52.33 H new ATOM 0 HG2 GLN A 72 -14.560 2.212 -2.206 1.00 52.55 H new ATOM 0 HG3 GLN A 72 -13.212 1.100 -2.074 1.00 52.55 H new ATOM 0 HE21 GLN A 72 -12.891 1.101 -4.330 1.00 63.42 H new ATOM 0 HE22 GLN A 72 -13.988 0.253 -5.425 1.00 63.42 H new ATOM 1229 N LYS A 73 -15.240 -0.558 2.043 1.00 25.24 N ATOM 1230 CA LYS A 73 -16.066 -1.073 3.143 1.00 22.23 C ATOM 1231 C LYS A 73 -15.805 -0.313 4.455 1.00 12.23 C ATOM 1232 O LYS A 73 -16.613 -0.358 5.384 1.00 1.42 O ATOM 1233 CB LYS A 73 -15.796 -2.574 3.331 1.00 44.33 C ATOM 1234 CG LYS A 73 -16.311 -3.429 2.176 1.00 31.33 C ATOM 1235 CD LYS A 73 -15.673 -4.818 2.145 1.00 65.25 C ATOM 1236 CE LYS A 73 -15.870 -5.595 3.441 1.00 23.42 C ATOM 1237 NZ LYS A 73 -15.366 -6.990 3.318 1.00 42.52 N ATOM 0 H LYS A 73 -14.476 -1.176 1.772 1.00 25.24 H new ATOM 0 HA LYS A 73 -17.113 -0.920 2.882 1.00 22.23 H new ATOM 0 HB2 LYS A 73 -14.723 -2.732 3.441 1.00 44.33 H new ATOM 0 HB3 LYS A 73 -16.264 -2.907 4.257 1.00 44.33 H new ATOM 0 HG2 LYS A 73 -17.393 -3.532 2.259 1.00 31.33 H new ATOM 0 HG3 LYS A 73 -16.110 -2.920 1.234 1.00 31.33 H new ATOM 0 HD2 LYS A 73 -16.097 -5.388 1.319 1.00 65.25 H new ATOM 0 HD3 LYS A 73 -14.606 -4.717 1.948 1.00 65.25 H new ATOM 0 HE2 LYS A 73 -15.349 -5.088 4.254 1.00 23.42 H new ATOM 0 HE3 LYS A 73 -16.928 -5.610 3.701 1.00 23.42 H new ATOM 0 HZ1 LYS A 73 -16.171 -7.646 3.264 1.00 42.52 H new ATOM 0 HZ2 LYS A 73 -14.791 -7.077 2.456 1.00 42.52 H new ATOM 0 HZ3 LYS A 73 -14.784 -7.223 4.148 1.00 42.52 H new ATOM 1251 N MET A 74 -14.671 0.380 4.525 1.00 42.13 N ATOM 1252 CA MET A 74 -14.303 1.161 5.715 1.00 52.32 C ATOM 1253 C MET A 74 -14.246 2.673 5.421 1.00 51.31 C ATOM 1254 O MET A 74 -13.887 3.464 6.296 1.00 74.40 O ATOM 1255 CB MET A 74 -12.953 0.669 6.258 1.00 13.13 C ATOM 1256 CG MET A 74 -12.975 -0.788 6.714 1.00 52.01 C ATOM 1257 SD MET A 74 -11.353 -1.403 7.224 1.00 53.23 S ATOM 1258 CE MET A 74 -10.949 -0.282 8.562 1.00 4.43 C ATOM 0 H MET A 74 -13.985 0.420 3.771 1.00 42.13 H new ATOM 0 HA MET A 74 -15.077 1.010 6.467 1.00 52.32 H new ATOM 0 HB2 MET A 74 -12.194 0.788 5.485 1.00 13.13 H new ATOM 0 HB3 MET A 74 -12.656 1.299 7.096 1.00 13.13 H new ATOM 0 HG2 MET A 74 -13.672 -0.891 7.545 1.00 52.01 H new ATOM 0 HG3 MET A 74 -13.353 -1.410 5.902 1.00 52.01 H new ATOM 0 HE1 MET A 74 -10.076 -0.655 9.098 1.00 4.43 H new ATOM 0 HE2 MET A 74 -10.731 0.706 8.156 1.00 4.43 H new ATOM 0 HE3 MET A 74 -11.794 -0.214 9.247 1.00 4.43 H new ATOM 1268 N GLU A 75 -14.604 3.062 4.190 1.00 52.43 N ATOM 1269 CA GLU A 75 -14.634 4.480 3.776 1.00 22.10 C ATOM 1270 C GLU A 75 -13.259 5.161 3.928 1.00 41.03 C ATOM 1271 O GLU A 75 -13.070 6.015 4.802 1.00 72.03 O ATOM 1272 CB GLU A 75 -15.692 5.253 4.585 1.00 23.32 C ATOM 1273 CG GLU A 75 -17.110 4.701 4.462 1.00 30.31 C ATOM 1274 CD GLU A 75 -17.654 4.770 3.043 1.00 1.40 C ATOM 1275 OE1 GLU A 75 -17.620 5.867 2.444 1.00 14.31 O ATOM 1276 OE2 GLU A 75 -18.135 3.740 2.533 1.00 25.20 O ATOM 0 H GLU A 75 -14.880 2.412 3.454 1.00 52.43 H new ATOM 0 HA GLU A 75 -14.897 4.499 2.718 1.00 22.10 H new ATOM 0 HB2 GLU A 75 -15.403 5.247 5.636 1.00 23.32 H new ATOM 0 HB3 GLU A 75 -15.691 6.293 4.260 1.00 23.32 H new ATOM 0 HG2 GLU A 75 -17.121 3.665 4.799 1.00 30.31 H new ATOM 0 HG3 GLU A 75 -17.770 5.259 5.126 1.00 30.31 H new ATOM 1283 N ILE A 76 -12.296 4.783 3.083 1.00 23.12 N ATOM 1284 CA ILE A 76 -10.918 5.295 3.201 1.00 53.11 C ATOM 1285 C ILE A 76 -10.319 5.721 1.847 1.00 51.31 C ATOM 1286 O ILE A 76 -10.641 5.159 0.799 1.00 51.12 O ATOM 1287 CB ILE A 76 -9.993 4.225 3.843 1.00 31.14 C ATOM 1288 CG1 ILE A 76 -10.567 3.767 5.191 1.00 4.10 C ATOM 1289 CG2 ILE A 76 -8.569 4.757 4.023 1.00 71.12 C ATOM 1290 CD1 ILE A 76 -9.750 2.694 5.866 1.00 11.02 C ATOM 0 H ILE A 76 -12.438 4.129 2.313 1.00 23.12 H new ATOM 0 HA ILE A 76 -10.976 6.179 3.836 1.00 53.11 H new ATOM 0 HB ILE A 76 -9.948 3.370 3.168 1.00 31.14 H new ATOM 0 HG12 ILE A 76 -10.640 4.628 5.856 1.00 4.10 H new ATOM 0 HG13 ILE A 76 -11.580 3.396 5.037 1.00 4.10 H new ATOM 0 HG21 ILE A 76 -7.946 3.985 4.475 1.00 71.12 H new ATOM 0 HG22 ILE A 76 -8.158 5.033 3.052 1.00 71.12 H new ATOM 0 HG23 ILE A 76 -8.587 5.633 4.671 1.00 71.12 H new ATOM 0 HD11 ILE A 76 -10.218 2.422 6.812 1.00 11.02 H new ATOM 0 HD12 ILE A 76 -9.698 1.817 5.221 1.00 11.02 H new ATOM 0 HD13 ILE A 76 -8.743 3.067 6.053 1.00 11.02 H new ATOM 1302 N ASP A 77 -9.445 6.726 1.895 1.00 12.25 N ATOM 1303 CA ASP A 77 -8.705 7.198 0.719 1.00 2.41 C ATOM 1304 C ASP A 77 -7.529 6.264 0.379 1.00 5.41 C ATOM 1305 O ASP A 77 -6.579 6.141 1.161 1.00 62.02 O ATOM 1306 CB ASP A 77 -8.163 8.600 0.998 1.00 21.40 C ATOM 1307 CG ASP A 77 -9.259 9.614 1.259 1.00 1.22 C ATOM 1308 OD1 ASP A 77 -9.893 9.559 2.334 1.00 33.43 O ATOM 1309 OD2 ASP A 77 -9.464 10.497 0.398 1.00 62.25 O ATOM 0 H ASP A 77 -9.228 7.238 2.750 1.00 12.25 H new ATOM 0 HA ASP A 77 -9.388 7.210 -0.130 1.00 2.41 H new ATOM 0 HB2 ASP A 77 -7.497 8.562 1.860 1.00 21.40 H new ATOM 0 HB3 ASP A 77 -7.565 8.929 0.148 1.00 21.40 H new ATOM 1314 N VAL A 78 -7.569 5.623 -0.791 1.00 41.14 N ATOM 1315 CA VAL A 78 -6.526 4.652 -1.167 1.00 4.11 C ATOM 1316 C VAL A 78 -6.099 4.746 -2.640 1.00 70.41 C ATOM 1317 O VAL A 78 -6.803 5.292 -3.492 1.00 55.04 O ATOM 1318 CB VAL A 78 -6.971 3.192 -0.878 1.00 60.21 C ATOM 1319 CG1 VAL A 78 -7.161 2.962 0.620 1.00 63.23 C ATOM 1320 CG2 VAL A 78 -8.246 2.857 -1.652 1.00 21.53 C ATOM 0 H VAL A 78 -8.300 5.753 -1.490 1.00 41.14 H new ATOM 0 HA VAL A 78 -5.669 4.915 -0.548 1.00 4.11 H new ATOM 0 HB VAL A 78 -6.181 2.522 -1.217 1.00 60.21 H new ATOM 0 HG11 VAL A 78 -7.472 1.932 0.793 1.00 63.23 H new ATOM 0 HG12 VAL A 78 -6.221 3.149 1.139 1.00 63.23 H new ATOM 0 HG13 VAL A 78 -7.925 3.641 0.998 1.00 63.23 H new ATOM 0 HG21 VAL A 78 -8.543 1.830 -1.437 1.00 21.53 H new ATOM 0 HG22 VAL A 78 -9.044 3.536 -1.351 1.00 21.53 H new ATOM 0 HG23 VAL A 78 -8.062 2.965 -2.721 1.00 21.53 H new ATOM 1330 N ARG A 79 -4.932 4.174 -2.917 1.00 51.41 N ATOM 1331 CA ARG A 79 -4.353 4.117 -4.257 1.00 31.30 C ATOM 1332 C ARG A 79 -3.874 2.681 -4.531 1.00 42.24 C ATOM 1333 O ARG A 79 -2.728 2.335 -4.246 1.00 72.22 O ATOM 1334 CB ARG A 79 -3.168 5.096 -4.362 1.00 43.14 C ATOM 1335 CG ARG A 79 -2.675 5.328 -5.788 1.00 42.34 C ATOM 1336 CD ARG A 79 -3.458 6.439 -6.478 1.00 41.32 C ATOM 1337 NE ARG A 79 -3.151 7.753 -5.908 1.00 30.34 N ATOM 1338 CZ ARG A 79 -3.765 8.860 -6.235 1.00 51.42 C ATOM 1339 NH1 ARG A 79 -4.680 8.859 -7.150 1.00 64.21 N ATOM 1340 NH2 ARG A 79 -3.437 9.974 -5.664 1.00 73.04 N ATOM 0 H ARG A 79 -4.351 3.729 -2.206 1.00 51.41 H new ATOM 0 HA ARG A 79 -5.104 4.401 -4.994 1.00 31.30 H new ATOM 0 HB2 ARG A 79 -3.462 6.053 -3.931 1.00 43.14 H new ATOM 0 HB3 ARG A 79 -2.342 4.716 -3.761 1.00 43.14 H new ATOM 0 HG2 ARG A 79 -1.616 5.585 -5.770 1.00 42.34 H new ATOM 0 HG3 ARG A 79 -2.769 4.406 -6.361 1.00 42.34 H new ATOM 0 HD2 ARG A 79 -3.225 6.441 -7.543 1.00 41.32 H new ATOM 0 HD3 ARG A 79 -4.526 6.243 -6.386 1.00 41.32 H new ATOM 0 HE ARG A 79 -2.409 7.808 -5.210 1.00 30.34 H new ATOM 0 HH11 ARG A 79 -4.928 7.990 -7.623 1.00 64.21 H new ATOM 0 HH12 ARG A 79 -5.154 9.727 -7.398 1.00 64.21 H new ATOM 0 HH21 ARG A 79 -2.700 9.988 -4.959 1.00 73.04 H new ATOM 0 HH22 ARG A 79 -3.916 10.838 -5.919 1.00 73.04 H new ATOM 1354 N THR A 80 -4.761 1.838 -5.052 1.00 70.32 N ATOM 1355 CA THR A 80 -4.479 0.398 -5.156 1.00 11.20 C ATOM 1356 C THR A 80 -3.952 0.008 -6.547 1.00 24.55 C ATOM 1357 O THR A 80 -4.581 0.300 -7.565 1.00 61.10 O ATOM 1358 CB THR A 80 -5.740 -0.446 -4.839 1.00 11.55 C ATOM 1359 OG1 THR A 80 -6.479 0.153 -3.759 1.00 64.41 O ATOM 1360 CG2 THR A 80 -5.360 -1.870 -4.445 1.00 25.43 C ATOM 0 H THR A 80 -5.675 2.118 -5.408 1.00 70.32 H new ATOM 0 HA THR A 80 -3.704 0.186 -4.420 1.00 11.20 H new ATOM 0 HB THR A 80 -6.354 -0.476 -5.739 1.00 11.55 H new ATOM 0 HG1 THR A 80 -7.274 -0.387 -3.568 1.00 64.41 H new ATOM 0 HG21 THR A 80 -6.263 -2.441 -4.228 1.00 25.43 H new ATOM 0 HG22 THR A 80 -4.820 -2.343 -5.266 1.00 25.43 H new ATOM 0 HG23 THR A 80 -4.725 -1.845 -3.560 1.00 25.43 H new ATOM 1368 N ARG A 81 -2.791 -0.651 -6.576 1.00 72.52 N ATOM 1369 CA ARG A 81 -2.173 -1.118 -7.829 1.00 22.25 C ATOM 1370 C ARG A 81 -1.621 -2.549 -7.677 1.00 15.53 C ATOM 1371 O ARG A 81 -1.377 -3.014 -6.562 1.00 73.53 O ATOM 1372 CB ARG A 81 -1.036 -0.170 -8.241 1.00 13.23 C ATOM 1373 CG ARG A 81 -1.492 1.240 -8.603 1.00 32.44 C ATOM 1374 CD ARG A 81 -2.424 1.238 -9.810 1.00 44.41 C ATOM 1375 NE ARG A 81 -2.805 2.588 -10.213 1.00 74.35 N ATOM 1376 CZ ARG A 81 -3.546 2.860 -11.251 1.00 54.53 C ATOM 1377 NH1 ARG A 81 -4.008 1.915 -12.006 1.00 55.14 N ATOM 1378 NH2 ARG A 81 -3.821 4.088 -11.539 1.00 32.44 N ATOM 0 H ARG A 81 -2.252 -0.877 -5.740 1.00 72.52 H new ATOM 0 HA ARG A 81 -2.942 -1.124 -8.601 1.00 22.25 H new ATOM 0 HB2 ARG A 81 -0.317 -0.108 -7.424 1.00 13.23 H new ATOM 0 HB3 ARG A 81 -0.512 -0.600 -9.095 1.00 13.23 H new ATOM 0 HG2 ARG A 81 -2.002 1.688 -7.750 1.00 32.44 H new ATOM 0 HG3 ARG A 81 -0.622 1.861 -8.816 1.00 32.44 H new ATOM 0 HD2 ARG A 81 -1.934 0.736 -10.644 1.00 44.41 H new ATOM 0 HD3 ARG A 81 -3.320 0.664 -9.574 1.00 44.41 H new ATOM 0 HE ARG A 81 -2.471 3.368 -9.647 1.00 74.35 H new ATOM 0 HH11 ARG A 81 -3.794 0.941 -11.792 1.00 55.14 H new ATOM 0 HH12 ARG A 81 -4.586 2.145 -12.814 1.00 55.14 H new ATOM 0 HH21 ARG A 81 -3.459 4.842 -10.955 1.00 32.44 H new ATOM 0 HH22 ARG A 81 -4.400 4.304 -12.350 1.00 32.44 H new ATOM 1392 N LYS A 82 -1.417 -3.242 -8.799 1.00 42.50 N ATOM 1393 CA LYS A 82 -0.869 -4.606 -8.771 1.00 41.25 C ATOM 1394 C LYS A 82 0.592 -4.632 -9.247 1.00 11.13 C ATOM 1395 O LYS A 82 0.913 -4.161 -10.344 1.00 73.24 O ATOM 1396 CB LYS A 82 -1.711 -5.546 -9.646 1.00 55.43 C ATOM 1397 CG LYS A 82 -1.255 -7.004 -9.579 1.00 35.45 C ATOM 1398 CD LYS A 82 -2.034 -7.903 -10.538 1.00 72.21 C ATOM 1399 CE LYS A 82 -1.784 -7.533 -11.995 1.00 22.15 C ATOM 1400 NZ LYS A 82 -2.491 -8.448 -12.929 1.00 32.42 N ATOM 0 H LYS A 82 -1.620 -2.887 -9.734 1.00 42.50 H new ATOM 0 HA LYS A 82 -0.903 -4.950 -7.737 1.00 41.25 H new ATOM 0 HB2 LYS A 82 -2.754 -5.484 -9.335 1.00 55.43 H new ATOM 0 HB3 LYS A 82 -1.666 -5.206 -10.681 1.00 55.43 H new ATOM 0 HG2 LYS A 82 -0.192 -7.061 -9.815 1.00 35.45 H new ATOM 0 HG3 LYS A 82 -1.376 -7.373 -8.561 1.00 35.45 H new ATOM 0 HD2 LYS A 82 -1.749 -8.942 -10.373 1.00 72.21 H new ATOM 0 HD3 LYS A 82 -3.100 -7.827 -10.322 1.00 72.21 H new ATOM 0 HE2 LYS A 82 -2.114 -6.509 -12.171 1.00 22.15 H new ATOM 0 HE3 LYS A 82 -0.714 -7.563 -12.198 1.00 22.15 H new ATOM 0 HZ1 LYS A 82 -1.808 -8.858 -13.597 1.00 32.42 H new ATOM 0 HZ2 LYS A 82 -2.948 -9.210 -12.389 1.00 32.42 H new ATOM 0 HZ3 LYS A 82 -3.213 -7.916 -13.456 1.00 32.42 H new ATOM 1414 N VAL A 83 1.477 -5.194 -8.427 1.00 4.22 N ATOM 1415 CA VAL A 83 2.896 -5.300 -8.774 1.00 54.42 C ATOM 1416 C VAL A 83 3.368 -6.765 -8.798 1.00 4.43 C ATOM 1417 O VAL A 83 3.073 -7.545 -7.892 1.00 1.13 O ATOM 1418 CB VAL A 83 3.778 -4.490 -7.785 1.00 40.13 C ATOM 1419 CG1 VAL A 83 3.380 -3.015 -7.794 1.00 23.12 C ATOM 1420 CG2 VAL A 83 3.693 -5.061 -6.369 1.00 1.51 C ATOM 0 H VAL A 83 1.238 -5.584 -7.515 1.00 4.22 H new ATOM 0 HA VAL A 83 3.006 -4.883 -9.775 1.00 54.42 H new ATOM 0 HB VAL A 83 4.813 -4.573 -8.117 1.00 40.13 H new ATOM 0 HG11 VAL A 83 4.009 -2.464 -7.095 1.00 23.12 H new ATOM 0 HG12 VAL A 83 3.511 -2.609 -8.797 1.00 23.12 H new ATOM 0 HG13 VAL A 83 2.336 -2.918 -7.496 1.00 23.12 H new ATOM 0 HG21 VAL A 83 4.321 -4.472 -5.701 1.00 1.51 H new ATOM 0 HG22 VAL A 83 2.660 -5.023 -6.023 1.00 1.51 H new ATOM 0 HG23 VAL A 83 4.037 -6.095 -6.373 1.00 1.51 H new ATOM 1430 N THR A 84 4.097 -7.130 -9.848 1.00 73.03 N ATOM 1431 CA THR A 84 4.707 -8.465 -9.951 1.00 35.54 C ATOM 1432 C THR A 84 6.237 -8.368 -9.979 1.00 54.14 C ATOM 1433 O THR A 84 6.941 -9.223 -9.435 1.00 11.44 O ATOM 1434 CB THR A 84 4.221 -9.224 -11.210 1.00 40.31 C ATOM 1435 OG1 THR A 84 4.528 -8.474 -12.400 1.00 54.12 O ATOM 1436 CG2 THR A 84 2.719 -9.481 -11.142 1.00 63.24 C ATOM 0 H THR A 84 4.284 -6.523 -10.646 1.00 73.03 H new ATOM 0 HA THR A 84 4.395 -9.022 -9.068 1.00 35.54 H new ATOM 0 HB THR A 84 4.741 -10.181 -11.245 1.00 40.31 H new ATOM 0 HG1 THR A 84 4.216 -8.967 -13.187 1.00 54.12 H new ATOM 0 HG21 THR A 84 2.400 -10.015 -12.037 1.00 63.24 H new ATOM 0 HG22 THR A 84 2.492 -10.081 -10.261 1.00 63.24 H new ATOM 0 HG23 THR A 84 2.190 -8.530 -11.079 1.00 63.24 H new ATOM 1444 N SER A 85 6.744 -7.319 -10.623 1.00 44.11 N ATOM 1445 CA SER A 85 8.186 -7.039 -10.652 1.00 51.34 C ATOM 1446 C SER A 85 8.539 -5.960 -9.621 1.00 3.34 C ATOM 1447 O SER A 85 7.756 -5.035 -9.398 1.00 12.23 O ATOM 1448 CB SER A 85 8.611 -6.571 -12.052 1.00 30.13 C ATOM 1449 OG SER A 85 8.252 -7.517 -13.048 1.00 20.41 O ATOM 0 H SER A 85 6.178 -6.643 -11.136 1.00 44.11 H new ATOM 0 HA SER A 85 8.719 -7.957 -10.406 1.00 51.34 H new ATOM 0 HB2 SER A 85 8.143 -5.612 -12.274 1.00 30.13 H new ATOM 0 HB3 SER A 85 9.689 -6.412 -12.072 1.00 30.13 H new ATOM 0 HG SER A 85 8.534 -7.189 -13.927 1.00 20.41 H new ATOM 1455 N PRO A 86 9.722 -6.047 -8.979 1.00 64.22 N ATOM 1456 CA PRO A 86 10.143 -5.060 -7.967 1.00 64.35 C ATOM 1457 C PRO A 86 10.115 -3.614 -8.495 1.00 64.53 C ATOM 1458 O PRO A 86 9.742 -2.686 -7.771 1.00 23.00 O ATOM 1459 CB PRO A 86 11.575 -5.491 -7.617 1.00 15.21 C ATOM 1460 CG PRO A 86 11.635 -6.940 -7.978 1.00 61.45 C ATOM 1461 CD PRO A 86 10.737 -7.102 -9.176 1.00 51.25 C ATOM 0 HA PRO A 86 9.470 -5.049 -7.110 1.00 64.35 H new ATOM 0 HB2 PRO A 86 12.310 -4.913 -8.177 1.00 15.21 H new ATOM 0 HB3 PRO A 86 11.787 -5.338 -6.559 1.00 15.21 H new ATOM 0 HG2 PRO A 86 12.656 -7.243 -8.211 1.00 61.45 H new ATOM 0 HG3 PRO A 86 11.298 -7.564 -7.150 1.00 61.45 H new ATOM 0 HD2 PRO A 86 11.283 -6.967 -10.110 1.00 51.25 H new ATOM 0 HD3 PRO A 86 10.286 -8.094 -9.211 1.00 51.25 H new ATOM 1469 N ASP A 87 10.500 -3.436 -9.762 1.00 22.41 N ATOM 1470 CA ASP A 87 10.477 -2.118 -10.413 1.00 4.14 C ATOM 1471 C ASP A 87 9.091 -1.457 -10.320 1.00 51.51 C ATOM 1472 O ASP A 87 8.984 -0.247 -10.106 1.00 53.32 O ATOM 1473 CB ASP A 87 10.895 -2.254 -11.882 1.00 43.32 C ATOM 1474 CG ASP A 87 10.899 -0.917 -12.609 1.00 43.45 C ATOM 1475 OD1 ASP A 87 11.875 -0.155 -12.453 1.00 21.24 O ATOM 1476 OD2 ASP A 87 9.925 -0.618 -13.332 1.00 35.45 O ATOM 0 H ASP A 87 10.833 -4.191 -10.362 1.00 22.41 H new ATOM 0 HA ASP A 87 11.185 -1.476 -9.888 1.00 4.14 H new ATOM 0 HB2 ASP A 87 11.890 -2.696 -11.935 1.00 43.32 H new ATOM 0 HB3 ASP A 87 10.215 -2.938 -12.389 1.00 43.32 H new ATOM 1481 N GLU A 88 8.036 -2.261 -10.478 1.00 43.43 N ATOM 1482 CA GLU A 88 6.655 -1.763 -10.389 1.00 41.04 C ATOM 1483 C GLU A 88 6.424 -1.022 -9.061 1.00 55.13 C ATOM 1484 O GLU A 88 6.065 0.157 -9.045 1.00 44.41 O ATOM 1485 CB GLU A 88 5.655 -2.926 -10.509 1.00 72.32 C ATOM 1486 CG GLU A 88 5.728 -3.704 -11.821 1.00 75.31 C ATOM 1487 CD GLU A 88 5.327 -2.869 -13.029 1.00 63.54 C ATOM 1488 OE1 GLU A 88 4.162 -2.424 -13.088 1.00 12.12 O ATOM 1489 OE2 GLU A 88 6.169 -2.662 -13.925 1.00 52.32 O ATOM 0 H GLU A 88 8.109 -3.260 -10.668 1.00 43.43 H new ATOM 0 HA GLU A 88 6.497 -1.067 -11.213 1.00 41.04 H new ATOM 0 HB2 GLU A 88 5.824 -3.618 -9.684 1.00 72.32 H new ATOM 0 HB3 GLU A 88 4.646 -2.531 -10.393 1.00 72.32 H new ATOM 0 HG2 GLU A 88 6.744 -4.073 -11.962 1.00 75.31 H new ATOM 0 HG3 GLU A 88 5.078 -4.576 -11.757 1.00 75.31 H new ATOM 1496 N ALA A 89 6.652 -1.728 -7.951 1.00 21.10 N ATOM 1497 CA ALA A 89 6.493 -1.154 -6.609 1.00 50.01 C ATOM 1498 C ALA A 89 7.368 0.097 -6.428 1.00 30.52 C ATOM 1499 O ALA A 89 6.909 1.116 -5.907 1.00 41.15 O ATOM 1500 CB ALA A 89 6.828 -2.198 -5.545 1.00 51.21 C ATOM 0 H ALA A 89 6.949 -2.704 -7.954 1.00 21.10 H new ATOM 0 HA ALA A 89 5.452 -0.852 -6.493 1.00 50.01 H new ATOM 0 HB1 ALA A 89 6.706 -1.760 -4.554 1.00 51.21 H new ATOM 0 HB2 ALA A 89 6.158 -3.052 -5.649 1.00 51.21 H new ATOM 0 HB3 ALA A 89 7.859 -2.528 -5.671 1.00 51.21 H new ATOM 1506 N LYS A 90 8.627 0.010 -6.870 1.00 51.12 N ATOM 1507 CA LYS A 90 9.560 1.146 -6.820 1.00 61.35 C ATOM 1508 C LYS A 90 8.954 2.393 -7.479 1.00 4.45 C ATOM 1509 O LYS A 90 8.987 3.494 -6.919 1.00 55.41 O ATOM 1510 CB LYS A 90 10.872 0.781 -7.534 1.00 31.24 C ATOM 1511 CG LYS A 90 11.655 -0.338 -6.862 1.00 15.41 C ATOM 1512 CD LYS A 90 12.889 -0.758 -7.667 1.00 72.43 C ATOM 1513 CE LYS A 90 13.865 0.396 -7.903 1.00 41.33 C ATOM 1514 NZ LYS A 90 13.499 1.224 -9.086 1.00 33.25 N ATOM 0 H LYS A 90 9.027 -0.839 -7.269 1.00 51.12 H new ATOM 0 HA LYS A 90 9.759 1.369 -5.772 1.00 61.35 H new ATOM 0 HB2 LYS A 90 10.646 0.487 -8.559 1.00 31.24 H new ATOM 0 HB3 LYS A 90 11.502 1.669 -7.589 1.00 31.24 H new ATOM 0 HG2 LYS A 90 11.966 -0.013 -5.869 1.00 15.41 H new ATOM 0 HG3 LYS A 90 11.004 -1.201 -6.725 1.00 15.41 H new ATOM 0 HD2 LYS A 90 13.404 -1.561 -7.140 1.00 72.43 H new ATOM 0 HD3 LYS A 90 12.570 -1.160 -8.629 1.00 72.43 H new ATOM 0 HE2 LYS A 90 13.894 1.029 -7.016 1.00 41.33 H new ATOM 0 HE3 LYS A 90 14.869 -0.005 -8.042 1.00 41.33 H new ATOM 0 HZ1 LYS A 90 14.307 1.272 -9.739 1.00 33.25 H new ATOM 0 HZ2 LYS A 90 12.686 0.795 -9.572 1.00 33.25 H new ATOM 0 HZ3 LYS A 90 13.249 2.184 -8.774 1.00 33.25 H new ATOM 1528 N ARG A 91 8.399 2.199 -8.669 1.00 12.21 N ATOM 1529 CA ARG A 91 7.805 3.290 -9.434 1.00 0.40 C ATOM 1530 C ARG A 91 6.607 3.903 -8.699 1.00 40.45 C ATOM 1531 O ARG A 91 6.550 5.112 -8.496 1.00 14.22 O ATOM 1532 CB ARG A 91 7.371 2.791 -10.817 1.00 21.01 C ATOM 1533 CG ARG A 91 6.813 3.889 -11.715 1.00 14.23 C ATOM 1534 CD ARG A 91 6.348 3.345 -13.060 1.00 52.33 C ATOM 1535 NE ARG A 91 5.861 4.410 -13.929 1.00 63.35 N ATOM 1536 CZ ARG A 91 4.931 4.261 -14.825 1.00 65.42 C ATOM 1537 NH1 ARG A 91 4.344 3.118 -14.998 1.00 21.34 N ATOM 1538 NH2 ARG A 91 4.573 5.269 -15.545 1.00 35.11 N ATOM 0 H ARG A 91 8.348 1.290 -9.128 1.00 12.21 H new ATOM 0 HA ARG A 91 8.562 4.066 -9.551 1.00 0.40 H new ATOM 0 HB2 ARG A 91 8.225 2.328 -11.311 1.00 21.01 H new ATOM 0 HB3 ARG A 91 6.615 2.015 -10.693 1.00 21.01 H new ATOM 0 HG2 ARG A 91 5.978 4.378 -11.213 1.00 14.23 H new ATOM 0 HG3 ARG A 91 7.577 4.649 -11.876 1.00 14.23 H new ATOM 0 HD2 ARG A 91 7.172 2.825 -13.548 1.00 52.33 H new ATOM 0 HD3 ARG A 91 5.557 2.612 -12.903 1.00 52.33 H new ATOM 0 HE ARG A 91 6.279 5.335 -13.827 1.00 63.35 H new ATOM 0 HH11 ARG A 91 4.610 2.316 -14.426 1.00 21.34 H new ATOM 0 HH12 ARG A 91 3.616 3.020 -15.706 1.00 21.34 H new ATOM 0 HH21 ARG A 91 5.019 6.176 -15.410 1.00 35.11 H new ATOM 0 HH22 ARG A 91 3.844 5.159 -16.250 1.00 35.11 H new ATOM 1552 N TRP A 92 5.659 3.059 -8.293 1.00 24.22 N ATOM 1553 CA TRP A 92 4.438 3.532 -7.626 1.00 70.33 C ATOM 1554 C TRP A 92 4.742 4.323 -6.344 1.00 2.15 C ATOM 1555 O TRP A 92 4.064 5.306 -6.044 1.00 62.35 O ATOM 1556 CB TRP A 92 3.497 2.360 -7.321 1.00 11.25 C ATOM 1557 CG TRP A 92 2.909 1.740 -8.556 1.00 75.44 C ATOM 1558 CD1 TRP A 92 3.103 0.471 -9.014 1.00 2.14 C ATOM 1559 CD2 TRP A 92 2.036 2.375 -9.494 1.00 61.00 C ATOM 1560 NE1 TRP A 92 2.403 0.280 -10.179 1.00 43.33 N ATOM 1561 CE2 TRP A 92 1.741 1.433 -10.495 1.00 53.24 C ATOM 1562 CE3 TRP A 92 1.476 3.653 -9.585 1.00 70.51 C ATOM 1563 CZ2 TRP A 92 0.909 1.727 -11.574 1.00 71.24 C ATOM 1564 CZ3 TRP A 92 0.651 3.944 -10.652 1.00 13.22 C ATOM 1565 CH2 TRP A 92 0.372 2.985 -11.635 1.00 11.42 C ATOM 0 H TRP A 92 5.709 2.047 -8.412 1.00 24.22 H new ATOM 0 HA TRP A 92 3.943 4.214 -8.317 1.00 70.33 H new ATOM 0 HB2 TRP A 92 4.043 1.599 -6.764 1.00 11.25 H new ATOM 0 HB3 TRP A 92 2.690 2.708 -6.677 1.00 11.25 H new ATOM 0 HD1 TRP A 92 3.717 -0.275 -8.531 1.00 2.14 H new ATOM 0 HE1 TRP A 92 2.381 -0.583 -10.722 1.00 43.33 H new ATOM 0 HE3 TRP A 92 1.686 4.399 -8.833 1.00 70.51 H new ATOM 0 HZ2 TRP A 92 0.696 0.990 -12.334 1.00 71.24 H new ATOM 0 HZ3 TRP A 92 0.213 4.928 -10.731 1.00 13.22 H new ATOM 0 HH2 TRP A 92 -0.279 3.243 -12.457 1.00 11.42 H new ATOM 1576 N ILE A 93 5.758 3.900 -5.593 1.00 70.24 N ATOM 1577 CA ILE A 93 6.190 4.646 -4.403 1.00 50.12 C ATOM 1578 C ILE A 93 6.650 6.065 -4.783 1.00 63.31 C ATOM 1579 O ILE A 93 6.316 7.045 -4.110 1.00 2.11 O ATOM 1580 CB ILE A 93 7.323 3.901 -3.650 1.00 65.05 C ATOM 1581 CG1 ILE A 93 6.807 2.548 -3.125 1.00 61.51 C ATOM 1582 CG2 ILE A 93 7.873 4.751 -2.502 1.00 71.13 C ATOM 1583 CD1 ILE A 93 7.850 1.733 -2.390 1.00 13.32 C ATOM 0 H ILE A 93 6.295 3.054 -5.781 1.00 70.24 H new ATOM 0 HA ILE A 93 5.331 4.723 -3.736 1.00 50.12 H new ATOM 0 HB ILE A 93 8.139 3.719 -4.350 1.00 65.05 H new ATOM 0 HG12 ILE A 93 5.964 2.727 -2.457 1.00 61.51 H new ATOM 0 HG13 ILE A 93 6.430 1.964 -3.965 1.00 61.51 H new ATOM 0 HG21 ILE A 93 8.666 4.204 -1.992 1.00 71.13 H new ATOM 0 HG22 ILE A 93 8.273 5.684 -2.899 1.00 71.13 H new ATOM 0 HG23 ILE A 93 7.072 4.971 -1.796 1.00 71.13 H new ATOM 0 HD11 ILE A 93 7.408 0.796 -2.052 1.00 13.32 H new ATOM 0 HD12 ILE A 93 8.684 1.521 -3.059 1.00 13.32 H new ATOM 0 HD13 ILE A 93 8.210 2.295 -1.528 1.00 13.32 H new ATOM 1595 N LYS A 94 7.403 6.172 -5.877 1.00 5.13 N ATOM 1596 CA LYS A 94 7.823 7.479 -6.392 1.00 43.04 C ATOM 1597 C LYS A 94 6.614 8.311 -6.858 1.00 14.24 C ATOM 1598 O LYS A 94 6.396 9.423 -6.375 1.00 72.13 O ATOM 1599 CB LYS A 94 8.822 7.306 -7.545 1.00 43.15 C ATOM 1600 CG LYS A 94 9.124 8.603 -8.290 1.00 52.13 C ATOM 1601 CD LYS A 94 10.205 8.424 -9.350 1.00 55.32 C ATOM 1602 CE LYS A 94 10.370 9.679 -10.203 1.00 72.53 C ATOM 1603 NZ LYS A 94 10.553 10.898 -9.371 1.00 2.14 N ATOM 0 H LYS A 94 7.734 5.376 -6.422 1.00 5.13 H new ATOM 0 HA LYS A 94 8.311 8.016 -5.578 1.00 43.04 H new ATOM 0 HB2 LYS A 94 9.753 6.898 -7.150 1.00 43.15 H new ATOM 0 HB3 LYS A 94 8.427 6.575 -8.250 1.00 43.15 H new ATOM 0 HG2 LYS A 94 8.212 8.969 -8.762 1.00 52.13 H new ATOM 0 HG3 LYS A 94 9.441 9.364 -7.577 1.00 52.13 H new ATOM 0 HD2 LYS A 94 11.152 8.185 -8.867 1.00 55.32 H new ATOM 0 HD3 LYS A 94 9.951 7.579 -9.990 1.00 55.32 H new ATOM 0 HE2 LYS A 94 11.229 9.558 -10.863 1.00 72.53 H new ATOM 0 HE3 LYS A 94 9.494 9.803 -10.839 1.00 72.53 H new ATOM 0 HZ1 LYS A 94 11.232 11.535 -9.834 1.00 2.14 H new ATOM 0 HZ2 LYS A 94 9.640 11.385 -9.263 1.00 2.14 H new ATOM 0 HZ3 LYS A 94 10.915 10.628 -8.434 1.00 2.14 H new ATOM 1617 N GLU A 95 5.824 7.754 -7.778 1.00 22.04 N ATOM 1618 CA GLU A 95 4.644 8.444 -8.320 1.00 4.25 C ATOM 1619 C GLU A 95 3.745 8.985 -7.198 1.00 10.34 C ATOM 1620 O GLU A 95 3.417 10.171 -7.161 1.00 51.32 O ATOM 1621 CB GLU A 95 3.819 7.490 -9.204 1.00 42.42 C ATOM 1622 CG GLU A 95 4.613 6.790 -10.306 1.00 25.22 C ATOM 1623 CD GLU A 95 5.303 7.748 -11.264 1.00 40.03 C ATOM 1624 OE1 GLU A 95 4.599 8.503 -11.967 1.00 73.14 O ATOM 1625 OE2 GLU A 95 6.551 7.733 -11.338 1.00 54.42 O ATOM 0 H GLU A 95 5.978 6.824 -8.167 1.00 22.04 H new ATOM 0 HA GLU A 95 5.006 9.281 -8.917 1.00 4.25 H new ATOM 0 HB2 GLU A 95 3.362 6.732 -8.568 1.00 42.42 H new ATOM 0 HB3 GLU A 95 3.007 8.054 -9.663 1.00 42.42 H new ATOM 0 HG2 GLU A 95 5.363 6.145 -9.848 1.00 25.22 H new ATOM 0 HG3 GLU A 95 3.941 6.145 -10.872 1.00 25.22 H new ATOM 1632 N PHE A 96 3.374 8.104 -6.272 1.00 30.44 N ATOM 1633 CA PHE A 96 2.461 8.449 -5.181 1.00 65.45 C ATOM 1634 C PHE A 96 2.996 9.607 -4.320 1.00 24.22 C ATOM 1635 O PHE A 96 2.252 10.525 -3.969 1.00 70.44 O ATOM 1636 CB PHE A 96 2.214 7.215 -4.311 1.00 74.43 C ATOM 1637 CG PHE A 96 1.215 7.436 -3.209 1.00 71.21 C ATOM 1638 CD1 PHE A 96 -0.140 7.508 -3.494 1.00 12.24 C ATOM 1639 CD2 PHE A 96 1.628 7.575 -1.891 1.00 62.43 C ATOM 1640 CE1 PHE A 96 -1.061 7.709 -2.488 1.00 33.22 C ATOM 1641 CE2 PHE A 96 0.709 7.777 -0.882 1.00 70.34 C ATOM 1642 CZ PHE A 96 -0.636 7.846 -1.183 1.00 73.43 C ATOM 0 H PHE A 96 3.695 7.136 -6.255 1.00 30.44 H new ATOM 0 HA PHE A 96 1.523 8.785 -5.624 1.00 65.45 H new ATOM 0 HB2 PHE A 96 1.866 6.399 -4.945 1.00 74.43 H new ATOM 0 HB3 PHE A 96 3.160 6.897 -3.872 1.00 74.43 H new ATOM 0 HD1 PHE A 96 -0.478 7.406 -4.515 1.00 12.24 H new ATOM 0 HD2 PHE A 96 2.680 7.524 -1.653 1.00 62.43 H new ATOM 0 HE1 PHE A 96 -2.114 7.759 -2.722 1.00 33.22 H new ATOM 0 HE2 PHE A 96 1.041 7.881 0.140 1.00 70.34 H new ATOM 0 HZ PHE A 96 -1.357 8.008 -0.395 1.00 73.43 H new ATOM 1652 N SER A 97 4.286 9.564 -3.982 1.00 54.11 N ATOM 1653 CA SER A 97 4.904 10.634 -3.183 1.00 22.40 C ATOM 1654 C SER A 97 4.880 11.975 -3.931 1.00 74.04 C ATOM 1655 O SER A 97 4.892 13.043 -3.312 1.00 32.12 O ATOM 1656 CB SER A 97 6.349 10.282 -2.803 1.00 55.01 C ATOM 1657 OG SER A 97 7.179 10.177 -3.946 1.00 31.22 O ATOM 0 H SER A 97 4.921 8.810 -4.244 1.00 54.11 H new ATOM 0 HA SER A 97 4.315 10.731 -2.271 1.00 22.40 H new ATOM 0 HB2 SER A 97 6.746 11.045 -2.134 1.00 55.01 H new ATOM 0 HB3 SER A 97 6.362 9.340 -2.255 1.00 55.01 H new ATOM 0 HG SER A 97 6.664 9.803 -4.691 1.00 31.22 H new ATOM 1663 N GLU A 98 4.853 11.916 -5.264 1.00 62.42 N ATOM 1664 CA GLU A 98 4.737 13.123 -6.090 1.00 2.50 C ATOM 1665 C GLU A 98 3.267 13.542 -6.282 1.00 23.32 C ATOM 1666 O GLU A 98 2.973 14.716 -6.524 1.00 52.35 O ATOM 1667 CB GLU A 98 5.421 12.914 -7.448 1.00 34.11 C ATOM 1668 CG GLU A 98 6.920 12.641 -7.337 1.00 44.12 C ATOM 1669 CD GLU A 98 7.637 12.709 -8.677 1.00 72.35 C ATOM 1670 OE1 GLU A 98 7.903 13.834 -9.153 1.00 72.43 O ATOM 1671 OE2 GLU A 98 7.948 11.649 -9.256 1.00 73.04 O ATOM 0 H GLU A 98 4.910 11.047 -5.795 1.00 62.42 H new ATOM 0 HA GLU A 98 5.243 13.932 -5.564 1.00 2.50 H new ATOM 0 HB2 GLU A 98 4.944 12.079 -7.962 1.00 34.11 H new ATOM 0 HB3 GLU A 98 5.265 13.799 -8.065 1.00 34.11 H new ATOM 0 HG2 GLU A 98 7.366 13.365 -6.655 1.00 44.12 H new ATOM 0 HG3 GLU A 98 7.073 11.655 -6.899 1.00 44.12 H new ATOM 1678 N GLU A 99 2.349 12.579 -6.182 1.00 42.33 N ATOM 1679 CA GLU A 99 0.910 12.876 -6.220 1.00 4.15 C ATOM 1680 C GLU A 99 0.479 13.641 -4.958 1.00 70.52 C ATOM 1681 O GLU A 99 -0.197 14.665 -5.042 1.00 41.23 O ATOM 1682 CB GLU A 99 0.082 11.585 -6.359 1.00 5.55 C ATOM 1683 CG GLU A 99 0.328 10.825 -7.661 1.00 44.12 C ATOM 1684 CD GLU A 99 -0.581 9.610 -7.820 1.00 74.33 C ATOM 1685 OE1 GLU A 99 -0.378 8.610 -7.096 1.00 53.13 O ATOM 1686 OE2 GLU A 99 -1.507 9.654 -8.661 1.00 53.34 O ATOM 0 H GLU A 99 2.572 11.589 -6.074 1.00 42.33 H new ATOM 0 HA GLU A 99 0.724 13.502 -7.093 1.00 4.15 H new ATOM 0 HB2 GLU A 99 0.308 10.928 -5.519 1.00 5.55 H new ATOM 0 HB3 GLU A 99 -0.977 11.836 -6.291 1.00 5.55 H new ATOM 0 HG2 GLU A 99 0.176 11.499 -8.504 1.00 44.12 H new ATOM 0 HG3 GLU A 99 1.368 10.501 -7.696 1.00 44.12 H new ATOM 1693 N GLY A 100 0.870 13.130 -3.792 1.00 31.34 N ATOM 1694 CA GLY A 100 0.584 13.812 -2.530 1.00 25.03 C ATOM 1695 C GLY A 100 -0.908 13.927 -2.212 1.00 12.43 C ATOM 1696 O GLY A 100 -1.474 13.071 -1.531 1.00 0.13 O ATOM 0 H GLY A 100 1.382 12.253 -3.694 1.00 31.34 H new ATOM 0 HA2 GLY A 100 1.078 13.277 -1.719 1.00 25.03 H new ATOM 0 HA3 GLY A 100 1.017 14.812 -2.562 1.00 25.03 H new ATOM 1700 N GLY A 101 -1.540 14.996 -2.697 1.00 31.52 N ATOM 1701 CA GLY A 101 -2.961 15.218 -2.444 1.00 0.31 C ATOM 1702 C GLY A 101 -3.662 15.967 -3.575 1.00 64.24 C ATOM 1703 O GLY A 101 -3.574 15.572 -4.742 1.00 34.14 O ATOM 0 H GLY A 101 -1.093 15.717 -3.264 1.00 31.52 H new ATOM 0 HA2 GLY A 101 -3.452 14.256 -2.295 1.00 0.31 H new ATOM 0 HA3 GLY A 101 -3.075 15.781 -1.518 1.00 0.31 H new ATOM 1707 N SER A 102 -4.364 17.049 -3.233 1.00 43.55 N ATOM 1708 CA SER A 102 -5.092 17.847 -4.232 1.00 50.35 C ATOM 1709 C SER A 102 -4.135 18.686 -5.095 1.00 11.24 C ATOM 1710 O SER A 102 -3.783 19.816 -4.744 1.00 30.33 O ATOM 1711 CB SER A 102 -6.129 18.759 -3.554 1.00 40.12 C ATOM 1712 OG SER A 102 -5.521 19.658 -2.633 1.00 33.51 O ATOM 0 H SER A 102 -4.446 17.395 -2.277 1.00 43.55 H new ATOM 0 HA SER A 102 -5.612 17.148 -4.887 1.00 50.35 H new ATOM 0 HB2 SER A 102 -6.667 19.326 -4.314 1.00 40.12 H new ATOM 0 HB3 SER A 102 -6.865 18.147 -3.033 1.00 40.12 H new ATOM 0 HG SER A 102 -4.681 19.995 -3.010 1.00 33.51 H new ATOM 1718 N LEU A 103 -3.702 18.113 -6.216 1.00 65.34 N ATOM 1719 CA LEU A 103 -2.785 18.795 -7.142 1.00 65.34 C ATOM 1720 C LEU A 103 -3.521 19.793 -8.053 1.00 54.54 C ATOM 1721 O LEU A 103 -3.299 21.005 -7.974 1.00 41.00 O ATOM 1722 CB LEU A 103 -2.042 17.762 -8.003 1.00 22.51 C ATOM 1723 CG LEU A 103 -1.112 16.807 -7.239 1.00 43.34 C ATOM 1724 CD1 LEU A 103 -0.498 15.780 -8.190 1.00 51.21 C ATOM 1725 CD2 LEU A 103 -0.022 17.589 -6.507 1.00 73.35 C ATOM 0 H LEU A 103 -3.970 17.174 -6.511 1.00 65.34 H new ATOM 0 HA LEU A 103 -2.072 19.357 -6.539 1.00 65.34 H new ATOM 0 HB2 LEU A 103 -2.779 17.168 -8.543 1.00 22.51 H new ATOM 0 HB3 LEU A 103 -1.453 18.294 -8.750 1.00 22.51 H new ATOM 0 HG LEU A 103 -1.703 16.272 -6.496 1.00 43.34 H new ATOM 0 HD11 LEU A 103 0.158 15.113 -7.631 1.00 51.21 H new ATOM 0 HD12 LEU A 103 -1.292 15.199 -8.660 1.00 51.21 H new ATOM 0 HD13 LEU A 103 0.079 16.295 -8.958 1.00 51.21 H new ATOM 0 HD21 LEU A 103 0.626 16.895 -5.972 1.00 73.35 H new ATOM 0 HD22 LEU A 103 0.568 18.154 -7.229 1.00 73.35 H new ATOM 0 HD23 LEU A 103 -0.482 18.277 -5.797 1.00 73.35 H new ATOM 1737 N GLU A 104 -4.398 19.275 -8.908 1.00 4.31 N ATOM 1738 CA GLU A 104 -5.081 20.088 -9.921 1.00 61.25 C ATOM 1739 C GLU A 104 -6.072 21.086 -9.298 1.00 12.14 C ATOM 1740 O GLU A 104 -7.157 20.702 -8.856 1.00 71.21 O ATOM 1741 CB GLU A 104 -5.834 19.181 -10.904 1.00 25.20 C ATOM 1742 CG GLU A 104 -4.968 18.106 -11.551 1.00 73.42 C ATOM 1743 CD GLU A 104 -5.758 17.205 -12.492 1.00 11.32 C ATOM 1744 OE1 GLU A 104 -6.772 16.625 -12.051 1.00 12.41 O ATOM 1745 OE2 GLU A 104 -5.366 17.064 -13.669 1.00 41.44 O ATOM 0 H GLU A 104 -4.657 18.288 -8.922 1.00 4.31 H new ATOM 0 HA GLU A 104 -4.312 20.658 -10.443 1.00 61.25 H new ATOM 0 HB2 GLU A 104 -6.659 18.700 -10.378 1.00 25.20 H new ATOM 0 HB3 GLU A 104 -6.273 19.799 -11.688 1.00 25.20 H new ATOM 0 HG2 GLU A 104 -4.158 18.581 -12.104 1.00 73.42 H new ATOM 0 HG3 GLU A 104 -4.508 17.498 -10.772 1.00 73.42 H new ATOM 1752 N HIS A 105 -5.695 22.362 -9.254 1.00 5.21 N ATOM 1753 CA HIS A 105 -6.621 23.415 -8.831 1.00 22.41 C ATOM 1754 C HIS A 105 -7.486 23.841 -10.029 1.00 12.11 C ATOM 1755 O HIS A 105 -8.674 24.125 -9.888 1.00 11.34 O ATOM 1756 CB HIS A 105 -5.844 24.608 -8.258 1.00 20.31 C ATOM 1757 CG HIS A 105 -6.637 25.453 -7.306 1.00 64.23 C ATOM 1758 ND1 HIS A 105 -6.746 25.160 -5.963 1.00 50.32 N ATOM 1759 CD2 HIS A 105 -7.347 26.591 -7.497 1.00 72.21 C ATOM 1760 CE1 HIS A 105 -7.483 26.076 -5.371 1.00 14.30 C ATOM 1761 NE2 HIS A 105 -7.859 26.955 -6.277 1.00 73.10 N ATOM 0 H HIS A 105 -4.763 22.692 -9.504 1.00 5.21 H new ATOM 0 HA HIS A 105 -7.273 23.035 -8.045 1.00 22.41 H new ATOM 0 HB2 HIS A 105 -4.956 24.238 -7.746 1.00 20.31 H new ATOM 0 HB3 HIS A 105 -5.499 25.233 -9.082 1.00 20.31 H new ATOM 0 HD2 HIS A 105 -7.484 27.113 -8.433 1.00 72.21 H new ATOM 0 HE1 HIS A 105 -7.736 26.102 -4.321 1.00 14.30 H new ATOM 0 HE2 HIS A 105 -8.438 27.776 -6.100 1.00 73.10 H new ATOM 1770 N HIS A 106 -6.852 23.914 -11.204 1.00 31.31 N ATOM 1771 CA HIS A 106 -7.555 24.029 -12.497 1.00 71.12 C ATOM 1772 C HIS A 106 -8.344 25.348 -12.665 1.00 12.31 C ATOM 1773 O HIS A 106 -8.903 25.597 -13.732 1.00 61.14 O ATOM 1774 CB HIS A 106 -8.490 22.819 -12.690 1.00 24.23 C ATOM 1775 CG HIS A 106 -9.154 22.758 -14.038 1.00 74.12 C ATOM 1776 ND1 HIS A 106 -10.359 23.371 -14.312 1.00 25.20 N ATOM 1777 CD2 HIS A 106 -8.775 22.159 -15.193 1.00 14.10 C ATOM 1778 CE1 HIS A 106 -10.690 23.152 -15.566 1.00 25.43 C ATOM 1779 NE2 HIS A 106 -9.750 22.422 -16.123 1.00 25.13 N ATOM 0 H HIS A 106 -5.836 23.895 -11.291 1.00 31.31 H new ATOM 0 HA HIS A 106 -6.785 24.041 -13.268 1.00 71.12 H new ATOM 0 HB2 HIS A 106 -7.917 21.904 -12.539 1.00 24.23 H new ATOM 0 HB3 HIS A 106 -9.260 22.844 -11.919 1.00 24.23 H new ATOM 0 HD2 HIS A 106 -7.875 21.583 -15.352 1.00 14.10 H new ATOM 0 HE1 HIS A 106 -11.583 23.511 -16.055 1.00 25.43 H new ATOM 0 HE2 HIS A 106 -9.745 22.102 -17.091 1.00 25.13 H new ATOM 1788 N HIS A 107 -8.383 26.191 -11.636 1.00 11.30 N ATOM 1789 CA HIS A 107 -9.163 27.436 -11.691 1.00 74.41 C ATOM 1790 C HIS A 107 -8.694 28.358 -12.834 1.00 24.32 C ATOM 1791 O HIS A 107 -7.691 29.062 -12.708 1.00 61.41 O ATOM 1792 CB HIS A 107 -9.080 28.181 -10.351 1.00 34.34 C ATOM 1793 CG HIS A 107 -9.866 29.458 -10.329 1.00 53.23 C ATOM 1794 ND1 HIS A 107 -9.321 30.681 -10.650 1.00 14.32 N ATOM 1795 CD2 HIS A 107 -11.168 29.695 -10.043 1.00 20.03 C ATOM 1796 CE1 HIS A 107 -10.249 31.612 -10.565 1.00 71.41 C ATOM 1797 NE2 HIS A 107 -11.379 31.042 -10.197 1.00 42.40 N ATOM 0 H HIS A 107 -7.889 26.041 -10.757 1.00 11.30 H new ATOM 0 HA HIS A 107 -10.199 27.160 -11.888 1.00 74.41 H new ATOM 0 HB2 HIS A 107 -9.441 27.527 -9.557 1.00 34.34 H new ATOM 0 HB3 HIS A 107 -8.036 28.402 -10.131 1.00 34.34 H new ATOM 0 HD2 HIS A 107 -11.903 28.961 -9.749 1.00 20.03 H new ATOM 0 HE1 HIS A 107 -10.108 32.664 -10.763 1.00 71.41 H new ATOM 0 HE2 HIS A 107 -12.266 31.524 -10.051 1.00 42.40 H new ATOM 1806 N HIS A 108 -9.415 28.331 -13.951 1.00 12.52 N ATOM 1807 CA HIS A 108 -9.118 29.214 -15.083 1.00 71.51 C ATOM 1808 C HIS A 108 -9.789 30.591 -14.915 1.00 61.14 C ATOM 1809 O HIS A 108 -10.592 30.798 -14.000 1.00 71.33 O ATOM 1810 CB HIS A 108 -9.560 28.556 -16.399 1.00 34.23 C ATOM 1811 CG HIS A 108 -8.828 27.284 -16.717 1.00 35.51 C ATOM 1812 ND1 HIS A 108 -9.231 26.413 -17.706 1.00 4.14 N ATOM 1813 CD2 HIS A 108 -7.706 26.738 -16.180 1.00 51.13 C ATOM 1814 CE1 HIS A 108 -8.397 25.394 -17.765 1.00 32.21 C ATOM 1815 NE2 HIS A 108 -7.464 25.566 -16.852 1.00 54.02 N ATOM 0 H HIS A 108 -10.209 27.709 -14.100 1.00 12.52 H new ATOM 0 HA HIS A 108 -8.040 29.374 -15.112 1.00 71.51 H new ATOM 0 HB2 HIS A 108 -10.628 28.346 -16.348 1.00 34.23 H new ATOM 0 HB3 HIS A 108 -9.412 29.263 -17.215 1.00 34.23 H new ATOM 0 HD2 HIS A 108 -7.115 27.149 -15.375 1.00 51.13 H new ATOM 0 HE1 HIS A 108 -8.467 24.559 -18.447 1.00 32.21 H new ATOM 0 HE2 HIS A 108 -6.687 24.931 -16.673 1.00 54.02 H new ATOM 1824 N HIS A 109 -9.457 31.528 -15.802 1.00 2.32 N ATOM 1825 CA HIS A 109 -9.985 32.898 -15.720 1.00 35.31 C ATOM 1826 C HIS A 109 -10.545 33.381 -17.071 1.00 5.30 C ATOM 1827 O HIS A 109 -10.373 32.730 -18.103 1.00 65.13 O ATOM 1828 CB HIS A 109 -8.888 33.854 -15.233 1.00 23.43 C ATOM 1829 CG HIS A 109 -7.725 33.969 -16.174 1.00 4.42 C ATOM 1830 ND1 HIS A 109 -7.559 35.028 -17.040 1.00 63.54 N ATOM 1831 CD2 HIS A 109 -6.667 33.151 -16.381 1.00 62.33 C ATOM 1832 CE1 HIS A 109 -6.457 34.855 -17.737 1.00 10.32 C ATOM 1833 NE2 HIS A 109 -5.895 33.727 -17.357 1.00 33.44 N ATOM 0 H HIS A 109 -8.826 31.368 -16.587 1.00 2.32 H new ATOM 0 HA HIS A 109 -10.809 32.892 -15.006 1.00 35.31 H new ATOM 0 HB2 HIS A 109 -9.321 34.843 -15.083 1.00 23.43 H new ATOM 0 HB3 HIS A 109 -8.526 33.513 -14.263 1.00 23.43 H new ATOM 0 HD2 HIS A 109 -6.468 32.219 -15.873 1.00 62.33 H new ATOM 0 HE1 HIS A 109 -6.077 35.526 -18.494 1.00 10.32 H new ATOM 0 HE2 HIS A 109 -5.026 33.343 -17.728 1.00 33.44 H new ATOM 1842 N HIS A 110 -11.194 34.543 -17.053 1.00 31.14 N ATOM 1843 CA HIS A 110 -11.810 35.126 -18.258 1.00 10.42 C ATOM 1844 C HIS A 110 -11.134 36.458 -18.656 1.00 21.41 C ATOM 1845 O HIS A 110 -10.285 36.449 -19.576 1.00 38.53 O ATOM 1846 CB HIS A 110 -13.323 35.321 -18.034 1.00 32.41 C ATOM 1847 CG HIS A 110 -13.669 35.911 -16.698 1.00 52.33 C ATOM 1848 ND1 HIS A 110 -13.577 37.257 -16.421 1.00 34.42 N ATOM 1849 CD2 HIS A 110 -14.094 35.325 -15.554 1.00 62.32 C ATOM 1850 CE1 HIS A 110 -13.927 37.475 -15.172 1.00 51.44 C ATOM 1851 NE2 HIS A 110 -14.244 36.321 -14.623 1.00 23.12 N ATOM 1852 OXT HIS A 110 -11.450 37.502 -18.044 1.00 38.53 O ATOM 0 H HIS A 110 -11.311 35.109 -16.213 1.00 31.14 H new ATOM 0 HA HIS A 110 -11.662 34.431 -19.085 1.00 10.42 H new ATOM 0 HB2 HIS A 110 -13.716 35.968 -18.819 1.00 32.41 H new ATOM 0 HB3 HIS A 110 -13.822 34.357 -18.135 1.00 32.41 H new ATOM 0 HD1 HIS A 110 -13.283 37.975 -17.083 1.00 34.42 H new ATOM 0 HD2 HIS A 110 -14.280 34.272 -15.403 1.00 62.32 H new ATOM 0 HE1 HIS A 110 -13.950 38.436 -14.681 1.00 51.44 H new TER 1861 HIS A 110