USER MOD reduce.3.24.130724 H: found=0, std=0, add=957, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 957 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 Single : A 1 MET CE :methyl -168:sc= -0.0147 (180deg=-0.213) USER MOD Single : A 1 MET N :NH3+ -168:sc= 1.05 (180deg=0.789) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 148:sc= 1.02 (180deg=0.407) USER MOD Single : A 10 SER OG : rot -168:sc= 0.236 USER MOD Single : A 11 SER OG : rot 49:sc= 0.112 USER MOD Single : A 14 THR OG1 : rot -30:sc= 0.0204 USER MOD Single : A 15 THR OG1 : rot 86:sc= 0.237 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -170:sc= 1.14 (180deg=1.06) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -116:sc= 0.624 (180deg=-0.244) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 174:sc=-0.00859 (180deg=-0.0552) USER MOD Single : A 45 LYS NZ :NH3+ 177:sc= -0.807 (180deg=-0.857) USER MOD Single : A 47 GLN : amide:sc= -0.0519 X(o=-0.052,f=-0.036) USER MOD Single : A 48 LYS NZ :NH3+ -163:sc= -0.105 (180deg=-0.393) USER MOD Single : A 50 LYS NZ :NH3+ 167:sc= 0.441 (180deg=0.348) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN :FLIP amide:sc= -0.587 F(o=-2.5!,f=-0.59) USER MOD Single : A 58 LYS NZ :NH3+ -177:sc= 0.464 (180deg=0.45) USER MOD Single : A 60 LYS NZ :NH3+ 152:sc= 0.652 (180deg=-0.0399) USER MOD Single : A 67 LYS NZ :NH3+ 169:sc= -0.0442 (180deg=-0.154) USER MOD Single : A 71 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0313) USER MOD Single : A 73 LYS NZ :NH3+ -101:sc= -0.552 (180deg=-1.91!) USER MOD Single : A 74 LYS NZ :NH3+ 151:sc= 1.12 (180deg=0.555) USER MOD Single : A 78 GLN : amide:sc= -0.415 X(o=-0.42,f=0) USER MOD Single : A 83 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.021) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0136 USER MOD Single : A 89 GLN : amide:sc=-0.00702 X(o=-0.007,f=-0.007) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.518 X(o=-0.52,f=-0.057) USER MOD Single : A 98 LYS NZ :NH3+ -138:sc= 0.57 (180deg=-0.321) USER MOD Single : A 99 LYS NZ :NH3+ -174:sc= 0.399 (180deg=0.376) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 43:sc= 0.155 USER MOD Single : A 105 HIS : no HD1:sc= -0.131 X(o=-0.13,f=-0.56) USER MOD Single : A 106 HIS :FLIP no HD1:sc= -0.415 F(o=-1.9!,f=-0.41) USER MOD Single : A 107 HIS : no HE2:sc= -0.112 K(o=-0.11,f=-1.9) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.667 13.136 -11.008 1.00 42.12 N ATOM 2 CA MET A 1 5.189 14.538 -11.064 1.00 43.53 C ATOM 3 C MET A 1 3.650 14.542 -11.021 1.00 62.41 C ATOM 4 O MET A 1 3.023 13.861 -11.838 1.00 20.34 O ATOM 5 CB MET A 1 5.710 15.244 -12.357 1.00 41.12 C ATOM 6 CG MET A 1 5.570 16.787 -12.381 1.00 72.42 C ATOM 7 SD MET A 1 3.868 17.403 -12.366 1.00 34.04 S ATOM 8 CE MET A 1 3.237 16.779 -13.920 1.00 2.42 C ATOM 0 H1 MET A 1 6.692 13.125 -10.832 1.00 42.12 H new ATOM 0 H2 MET A 1 5.179 12.633 -10.240 1.00 42.12 H new ATOM 0 H3 MET A 1 5.466 12.664 -11.913 1.00 42.12 H new ATOM 0 HA MET A 1 5.575 15.091 -10.208 1.00 43.53 H new ATOM 0 HB2 MET A 1 6.762 14.991 -12.489 1.00 41.12 H new ATOM 0 HB3 MET A 1 5.174 14.835 -13.214 1.00 41.12 H new ATOM 0 HG2 MET A 1 6.096 17.198 -11.519 1.00 72.42 H new ATOM 0 HG3 MET A 1 6.070 17.168 -13.271 1.00 72.42 H new ATOM 0 HE1 MET A 1 2.281 17.254 -14.142 1.00 2.42 H new ATOM 0 HE2 MET A 1 3.947 17.002 -14.717 1.00 2.42 H new ATOM 0 HE3 MET A 1 3.098 15.700 -13.849 1.00 2.42 H new ATOM 20 N GLY A 2 3.064 15.314 -10.075 1.00 43.51 N ATOM 21 CA GLY A 2 1.606 15.484 -9.956 1.00 35.14 C ATOM 22 C GLY A 2 0.920 14.249 -9.388 1.00 43.22 C ATOM 23 O GLY A 2 0.608 14.194 -8.193 1.00 5.10 O ATOM 0 H GLY A 2 3.594 15.834 -9.375 1.00 43.51 H new ATOM 0 HA2 GLY A 2 1.394 16.340 -9.316 1.00 35.14 H new ATOM 0 HA3 GLY A 2 1.188 15.709 -10.937 1.00 35.14 H new ATOM 27 N SER A 3 0.698 13.254 -10.258 1.00 21.13 N ATOM 28 CA SER A 3 0.152 11.946 -9.875 1.00 74.55 C ATOM 29 C SER A 3 1.304 11.027 -9.436 1.00 4.55 C ATOM 30 O SER A 3 2.366 11.021 -10.065 1.00 54.02 O ATOM 31 CB SER A 3 -0.605 11.332 -11.074 1.00 73.32 C ATOM 32 OG SER A 3 -1.622 12.205 -11.521 1.00 4.54 O ATOM 0 H SER A 3 0.894 13.336 -11.256 1.00 21.13 H new ATOM 0 HA SER A 3 -0.545 12.061 -9.045 1.00 74.55 H new ATOM 0 HB2 SER A 3 0.093 11.131 -11.887 1.00 73.32 H new ATOM 0 HB3 SER A 3 -1.041 10.376 -10.785 1.00 73.32 H new ATOM 0 HG SER A 3 -2.089 11.801 -12.281 1.00 4.54 H new ATOM 38 N LYS A 4 1.078 10.290 -8.342 1.00 43.41 N ATOM 39 CA LYS A 4 2.003 9.269 -7.811 1.00 65.33 C ATOM 40 C LYS A 4 1.223 8.025 -7.408 1.00 62.31 C ATOM 41 O LYS A 4 -0.005 7.984 -7.531 1.00 70.11 O ATOM 42 CB LYS A 4 2.866 9.776 -6.607 1.00 53.30 C ATOM 43 CG LYS A 4 2.170 10.618 -5.509 1.00 65.13 C ATOM 44 CD LYS A 4 1.991 12.091 -5.938 1.00 73.55 C ATOM 45 CE LYS A 4 1.393 12.988 -4.850 1.00 70.43 C ATOM 46 NZ LYS A 4 1.119 14.357 -5.364 1.00 3.54 N ATOM 0 H LYS A 4 0.229 10.385 -7.785 1.00 43.41 H new ATOM 0 HA LYS A 4 2.702 9.033 -8.613 1.00 65.33 H new ATOM 0 HB2 LYS A 4 3.311 8.905 -6.126 1.00 53.30 H new ATOM 0 HB3 LYS A 4 3.686 10.370 -7.012 1.00 53.30 H new ATOM 0 HG2 LYS A 4 1.196 10.185 -5.283 1.00 65.13 H new ATOM 0 HG3 LYS A 4 2.758 10.576 -4.592 1.00 65.13 H new ATOM 0 HD2 LYS A 4 2.960 12.493 -6.234 1.00 73.55 H new ATOM 0 HD3 LYS A 4 1.349 12.127 -6.818 1.00 73.55 H new ATOM 0 HE2 LYS A 4 0.469 12.545 -4.479 1.00 70.43 H new ATOM 0 HE3 LYS A 4 2.080 13.046 -4.006 1.00 70.43 H new ATOM 0 HZ1 LYS A 4 0.289 14.751 -4.877 1.00 3.54 H new ATOM 0 HZ2 LYS A 4 1.944 14.965 -5.189 1.00 3.54 H new ATOM 0 HZ3 LYS A 4 0.932 14.313 -6.386 1.00 3.54 H new ATOM 60 N ILE A 5 1.952 6.985 -6.992 1.00 75.45 N ATOM 61 CA ILE A 5 1.370 5.814 -6.340 1.00 34.12 C ATOM 62 C ILE A 5 2.026 5.632 -4.970 1.00 50.20 C ATOM 63 O ILE A 5 3.228 5.885 -4.789 1.00 53.23 O ATOM 64 CB ILE A 5 1.505 4.495 -7.189 1.00 11.33 C ATOM 65 CG1 ILE A 5 2.995 4.060 -7.351 1.00 0.21 C ATOM 66 CG2 ILE A 5 0.822 4.670 -8.568 1.00 34.34 C ATOM 67 CD1 ILE A 5 3.189 2.675 -7.936 1.00 12.54 C ATOM 0 H ILE A 5 2.965 6.934 -7.100 1.00 75.45 H new ATOM 0 HA ILE A 5 0.300 5.996 -6.235 1.00 34.12 H new ATOM 0 HB ILE A 5 0.997 3.697 -6.649 1.00 11.33 H new ATOM 0 HG12 ILE A 5 3.504 4.784 -7.988 1.00 0.21 H new ATOM 0 HG13 ILE A 5 3.479 4.099 -6.375 1.00 0.21 H new ATOM 0 HG21 ILE A 5 0.924 3.750 -9.144 1.00 34.34 H new ATOM 0 HG22 ILE A 5 -0.235 4.894 -8.425 1.00 34.34 H new ATOM 0 HG23 ILE A 5 1.296 5.490 -9.108 1.00 34.34 H new ATOM 0 HD11 ILE A 5 4.254 2.458 -8.012 1.00 12.54 H new ATOM 0 HD12 ILE A 5 2.714 1.937 -7.290 1.00 12.54 H new ATOM 0 HD13 ILE A 5 2.739 2.633 -8.928 1.00 12.54 H new ATOM 79 N ILE A 6 1.212 5.244 -4.003 1.00 62.33 N ATOM 80 CA ILE A 6 1.650 4.954 -2.645 1.00 14.12 C ATOM 81 C ILE A 6 1.456 3.465 -2.390 1.00 14.51 C ATOM 82 O ILE A 6 0.367 2.954 -2.579 1.00 22.13 O ATOM 83 CB ILE A 6 0.828 5.797 -1.616 1.00 5.11 C ATOM 84 CG1 ILE A 6 1.011 7.334 -1.868 1.00 73.42 C ATOM 85 CG2 ILE A 6 1.180 5.407 -0.163 1.00 43.23 C ATOM 86 CD1 ILE A 6 2.432 7.859 -1.790 1.00 44.45 C ATOM 0 H ILE A 6 0.209 5.119 -4.141 1.00 62.33 H new ATOM 0 HA ILE A 6 2.701 5.218 -2.527 1.00 14.12 H new ATOM 0 HB ILE A 6 -0.227 5.568 -1.764 1.00 5.11 H new ATOM 0 HG12 ILE A 6 0.612 7.570 -2.855 1.00 73.42 H new ATOM 0 HG13 ILE A 6 0.405 7.875 -1.141 1.00 73.42 H new ATOM 0 HG21 ILE A 6 0.592 6.011 0.528 1.00 43.23 H new ATOM 0 HG22 ILE A 6 0.956 4.352 -0.005 1.00 43.23 H new ATOM 0 HG23 ILE A 6 2.241 5.583 0.014 1.00 43.23 H new ATOM 0 HD11 ILE A 6 2.434 8.932 -1.981 1.00 44.45 H new ATOM 0 HD12 ILE A 6 2.837 7.666 -0.797 1.00 44.45 H new ATOM 0 HD13 ILE A 6 3.047 7.356 -2.536 1.00 44.45 H new ATOM 98 N VAL A 7 2.511 2.780 -1.948 1.00 70.24 N ATOM 99 CA VAL A 7 2.477 1.340 -1.685 1.00 73.23 C ATOM 100 C VAL A 7 2.597 1.106 -0.174 1.00 62.44 C ATOM 101 O VAL A 7 3.669 1.288 0.397 1.00 71.34 O ATOM 102 CB VAL A 7 3.603 0.573 -2.466 1.00 3.45 C ATOM 103 CG1 VAL A 7 3.515 -0.945 -2.193 1.00 44.34 C ATOM 104 CG2 VAL A 7 3.535 0.873 -3.988 1.00 52.45 C ATOM 0 H VAL A 7 3.417 3.210 -1.761 1.00 70.24 H new ATOM 0 HA VAL A 7 1.527 0.943 -2.043 1.00 73.23 H new ATOM 0 HB VAL A 7 4.568 0.928 -2.105 1.00 3.45 H new ATOM 0 HG11 VAL A 7 4.303 -1.460 -2.743 1.00 44.34 H new ATOM 0 HG12 VAL A 7 3.636 -1.130 -1.126 1.00 44.34 H new ATOM 0 HG13 VAL A 7 2.543 -1.317 -2.518 1.00 44.34 H new ATOM 0 HG21 VAL A 7 4.327 0.328 -4.502 1.00 52.45 H new ATOM 0 HG22 VAL A 7 2.567 0.559 -4.378 1.00 52.45 H new ATOM 0 HG23 VAL A 7 3.664 1.943 -4.154 1.00 52.45 H new ATOM 114 N ILE A 8 1.486 0.701 0.460 1.00 12.41 N ATOM 115 CA ILE A 8 1.397 0.538 1.919 1.00 31.54 C ATOM 116 C ILE A 8 1.531 -0.944 2.279 1.00 51.30 C ATOM 117 O ILE A 8 0.692 -1.752 1.899 1.00 73.52 O ATOM 118 CB ILE A 8 0.051 1.122 2.494 1.00 21.22 C ATOM 119 CG1 ILE A 8 -0.052 2.648 2.165 1.00 63.20 C ATOM 120 CG2 ILE A 8 -0.078 0.845 4.015 1.00 45.05 C ATOM 121 CD1 ILE A 8 -1.188 3.388 2.846 1.00 11.22 C ATOM 0 H ILE A 8 0.619 0.476 -0.028 1.00 12.41 H new ATOM 0 HA ILE A 8 2.213 1.101 2.372 1.00 31.54 H new ATOM 0 HB ILE A 8 -0.786 0.616 2.013 1.00 21.22 H new ATOM 0 HG12 ILE A 8 0.888 3.126 2.442 1.00 63.20 H new ATOM 0 HG13 ILE A 8 -0.162 2.763 1.087 1.00 63.20 H new ATOM 0 HG21 ILE A 8 -1.017 1.260 4.382 1.00 45.05 H new ATOM 0 HG22 ILE A 8 -0.063 -0.231 4.192 1.00 45.05 H new ATOM 0 HG23 ILE A 8 0.755 1.311 4.542 1.00 45.05 H new ATOM 0 HD11 ILE A 8 -1.168 4.437 2.550 1.00 11.22 H new ATOM 0 HD12 ILE A 8 -2.139 2.945 2.551 1.00 11.22 H new ATOM 0 HD13 ILE A 8 -1.074 3.314 3.927 1.00 11.22 H new ATOM 133 N ILE A 9 2.564 -1.275 3.047 1.00 30.23 N ATOM 134 CA ILE A 9 2.856 -2.651 3.449 1.00 65.32 C ATOM 135 C ILE A 9 2.107 -2.915 4.774 1.00 34.04 C ATOM 136 O ILE A 9 2.536 -2.447 5.837 1.00 74.44 O ATOM 137 CB ILE A 9 4.407 -2.936 3.624 1.00 13.24 C ATOM 138 CG1 ILE A 9 5.227 -2.666 2.305 1.00 15.52 C ATOM 139 CG2 ILE A 9 4.627 -4.391 4.112 1.00 20.44 C ATOM 140 CD1 ILE A 9 5.484 -1.198 1.971 1.00 23.21 C ATOM 0 H ILE A 9 3.228 -0.593 3.412 1.00 30.23 H new ATOM 0 HA ILE A 9 2.522 -3.323 2.659 1.00 65.32 H new ATOM 0 HB ILE A 9 4.781 -2.239 4.374 1.00 13.24 H new ATOM 0 HG12 ILE A 9 6.188 -3.174 2.387 1.00 15.52 H new ATOM 0 HG13 ILE A 9 4.695 -3.122 1.469 1.00 15.52 H new ATOM 0 HG21 ILE A 9 5.694 -4.578 4.229 1.00 20.44 H new ATOM 0 HG22 ILE A 9 4.126 -4.533 5.070 1.00 20.44 H new ATOM 0 HG23 ILE A 9 4.215 -5.086 3.380 1.00 20.44 H new ATOM 0 HD11 ILE A 9 6.055 -1.130 1.045 1.00 23.21 H new ATOM 0 HD12 ILE A 9 4.532 -0.681 1.849 1.00 23.21 H new ATOM 0 HD13 ILE A 9 6.048 -0.734 2.780 1.00 23.21 H new ATOM 152 N SER A 10 0.961 -3.612 4.695 1.00 52.01 N ATOM 153 CA SER A 10 0.101 -3.891 5.858 1.00 2.12 C ATOM 154 C SER A 10 0.330 -5.319 6.386 1.00 63.34 C ATOM 155 O SER A 10 0.650 -6.245 5.628 1.00 13.10 O ATOM 156 CB SER A 10 -1.381 -3.699 5.481 1.00 62.30 C ATOM 157 OG SER A 10 -2.243 -3.966 6.581 1.00 74.51 O ATOM 0 H SER A 10 0.604 -3.999 3.821 1.00 52.01 H new ATOM 0 HA SER A 10 0.363 -3.189 6.649 1.00 2.12 H new ATOM 0 HB2 SER A 10 -1.539 -2.678 5.135 1.00 62.30 H new ATOM 0 HB3 SER A 10 -1.634 -4.360 4.652 1.00 62.30 H new ATOM 0 HG SER A 10 -3.169 -4.020 6.265 1.00 74.51 H new ATOM 163 N SER A 11 0.166 -5.455 7.706 1.00 2.53 N ATOM 164 CA SER A 11 0.297 -6.721 8.433 1.00 54.43 C ATOM 165 C SER A 11 -0.732 -6.754 9.584 1.00 11.23 C ATOM 166 O SER A 11 -0.408 -6.359 10.716 1.00 43.50 O ATOM 167 CB SER A 11 1.752 -6.898 8.941 1.00 23.51 C ATOM 168 OG SER A 11 2.224 -5.729 9.602 1.00 12.23 O ATOM 0 H SER A 11 -0.067 -4.669 8.313 1.00 2.53 H new ATOM 0 HA SER A 11 0.087 -7.559 7.769 1.00 54.43 H new ATOM 0 HB2 SER A 11 1.798 -7.746 9.624 1.00 23.51 H new ATOM 0 HB3 SER A 11 2.406 -7.130 8.100 1.00 23.51 H new ATOM 0 HG SER A 11 1.557 -5.431 10.255 1.00 12.23 H new ATOM 174 N ASP A 12 -1.994 -7.113 9.245 1.00 1.14 N ATOM 175 CA ASP A 12 -3.132 -7.251 10.199 1.00 53.15 C ATOM 176 C ASP A 12 -3.737 -5.884 10.641 1.00 72.44 C ATOM 177 O ASP A 12 -4.960 -5.782 10.788 1.00 4.21 O ATOM 178 CB ASP A 12 -2.755 -8.131 11.436 1.00 34.21 C ATOM 179 CG ASP A 12 -3.893 -8.290 12.471 1.00 25.22 C ATOM 180 OD1 ASP A 12 -4.805 -9.105 12.244 1.00 21.01 O ATOM 181 OD2 ASP A 12 -3.866 -7.619 13.529 1.00 13.13 O ATOM 0 H ASP A 12 -2.259 -7.320 8.282 1.00 1.14 H new ATOM 0 HA ASP A 12 -3.916 -7.769 9.646 1.00 53.15 H new ATOM 0 HB2 ASP A 12 -2.456 -9.119 11.087 1.00 34.21 H new ATOM 0 HB3 ASP A 12 -1.888 -7.691 11.930 1.00 34.21 H new ATOM 186 N ASP A 13 -2.892 -4.852 10.848 1.00 41.33 N ATOM 187 CA ASP A 13 -3.347 -3.504 11.296 1.00 44.02 C ATOM 188 C ASP A 13 -4.244 -2.815 10.244 1.00 51.01 C ATOM 189 O ASP A 13 -3.998 -2.915 9.043 1.00 61.41 O ATOM 190 CB ASP A 13 -2.135 -2.588 11.644 1.00 14.54 C ATOM 191 CG ASP A 13 -2.547 -1.126 11.944 1.00 10.13 C ATOM 192 OD1 ASP A 13 -3.250 -0.895 12.949 1.00 50.43 O ATOM 193 OD2 ASP A 13 -2.216 -0.222 11.147 1.00 44.41 O ATOM 0 H ASP A 13 -1.883 -4.921 10.713 1.00 41.33 H new ATOM 0 HA ASP A 13 -3.943 -3.658 12.196 1.00 44.02 H new ATOM 0 HB2 ASP A 13 -1.614 -2.998 12.509 1.00 14.54 H new ATOM 0 HB3 ASP A 13 -1.429 -2.597 10.813 1.00 14.54 H new ATOM 198 N THR A 14 -5.266 -2.092 10.738 1.00 54.41 N ATOM 199 CA THR A 14 -6.286 -1.443 9.903 1.00 53.34 C ATOM 200 C THR A 14 -6.023 0.065 9.718 1.00 74.11 C ATOM 201 O THR A 14 -6.557 0.666 8.776 1.00 5.02 O ATOM 202 CB THR A 14 -7.715 -1.665 10.507 1.00 34.24 C ATOM 203 OG1 THR A 14 -8.729 -1.205 9.590 1.00 50.24 O ATOM 204 CG2 THR A 14 -7.896 -0.968 11.871 1.00 61.55 C ATOM 0 H THR A 14 -5.406 -1.942 11.737 1.00 54.41 H new ATOM 0 HA THR A 14 -6.230 -1.909 8.919 1.00 53.34 H new ATOM 0 HB THR A 14 -7.823 -2.738 10.668 1.00 34.24 H new ATOM 0 HG1 THR A 14 -8.376 -0.462 9.057 1.00 50.24 H new ATOM 0 HG21 THR A 14 -8.903 -1.154 12.244 1.00 61.55 H new ATOM 0 HG22 THR A 14 -7.168 -1.362 12.580 1.00 61.55 H new ATOM 0 HG23 THR A 14 -7.745 0.105 11.754 1.00 61.55 H new ATOM 212 N THR A 15 -5.227 0.679 10.623 1.00 75.42 N ATOM 213 CA THR A 15 -5.009 2.142 10.646 1.00 0.15 C ATOM 214 C THR A 15 -4.427 2.679 9.318 1.00 21.12 C ATOM 215 O THR A 15 -4.933 3.653 8.775 1.00 34.13 O ATOM 216 CB THR A 15 -4.078 2.548 11.832 1.00 61.11 C ATOM 217 OG1 THR A 15 -4.546 1.928 13.039 1.00 65.10 O ATOM 218 CG2 THR A 15 -4.029 4.077 12.042 1.00 13.53 C ATOM 0 H THR A 15 -4.721 0.177 11.353 1.00 75.42 H new ATOM 0 HA THR A 15 -5.991 2.596 10.783 1.00 0.15 H new ATOM 0 HB THR A 15 -3.071 2.211 11.586 1.00 61.11 H new ATOM 0 HG1 THR A 15 -4.173 1.024 13.108 1.00 65.10 H new ATOM 0 HG21 THR A 15 -3.369 4.308 12.878 1.00 13.53 H new ATOM 0 HG22 THR A 15 -3.653 4.556 11.138 1.00 13.53 H new ATOM 0 HG23 THR A 15 -5.031 4.447 12.258 1.00 13.53 H new ATOM 226 N LEU A 16 -3.388 2.020 8.788 1.00 41.13 N ATOM 227 CA LEU A 16 -2.742 2.456 7.525 1.00 52.02 C ATOM 228 C LEU A 16 -3.588 2.083 6.283 1.00 42.34 C ATOM 229 O LEU A 16 -3.433 2.698 5.222 1.00 41.52 O ATOM 230 CB LEU A 16 -1.262 1.953 7.422 1.00 73.32 C ATOM 231 CG LEU A 16 -0.906 0.562 8.057 1.00 30.30 C ATOM 232 CD1 LEU A 16 -1.707 -0.595 7.445 1.00 31.03 C ATOM 233 CD2 LEU A 16 0.607 0.293 7.967 1.00 1.23 C ATOM 0 H LEU A 16 -2.973 1.187 9.205 1.00 41.13 H new ATOM 0 HA LEU A 16 -2.695 3.545 7.546 1.00 52.02 H new ATOM 0 HB2 LEU A 16 -0.996 1.915 6.366 1.00 73.32 H new ATOM 0 HB3 LEU A 16 -0.622 2.704 7.885 1.00 73.32 H new ATOM 0 HG LEU A 16 -1.191 0.614 9.108 1.00 30.30 H new ATOM 0 HD11 LEU A 16 -1.418 -1.531 7.924 1.00 31.03 H new ATOM 0 HD12 LEU A 16 -2.772 -0.422 7.600 1.00 31.03 H new ATOM 0 HD13 LEU A 16 -1.501 -0.655 6.376 1.00 31.03 H new ATOM 0 HD21 LEU A 16 0.831 -0.676 8.413 1.00 1.23 H new ATOM 0 HD22 LEU A 16 0.915 0.291 6.921 1.00 1.23 H new ATOM 0 HD23 LEU A 16 1.148 1.073 8.503 1.00 1.23 H new ATOM 245 N GLU A 17 -4.487 1.092 6.437 1.00 40.12 N ATOM 246 CA GLU A 17 -5.425 0.681 5.373 1.00 52.31 C ATOM 247 C GLU A 17 -6.507 1.759 5.166 1.00 53.52 C ATOM 248 O GLU A 17 -6.897 2.045 4.030 1.00 14.52 O ATOM 249 CB GLU A 17 -6.094 -0.671 5.724 1.00 32.41 C ATOM 250 CG GLU A 17 -5.119 -1.833 6.036 1.00 11.14 C ATOM 251 CD GLU A 17 -5.832 -3.149 6.428 1.00 73.33 C ATOM 252 OE1 GLU A 17 -6.943 -3.090 7.008 1.00 63.30 O ATOM 253 OE2 GLU A 17 -5.292 -4.246 6.167 1.00 71.41 O ATOM 0 H GLU A 17 -4.584 0.555 7.299 1.00 40.12 H new ATOM 0 HA GLU A 17 -4.858 0.562 4.450 1.00 52.31 H new ATOM 0 HB2 GLU A 17 -6.743 -0.523 6.587 1.00 32.41 H new ATOM 0 HB3 GLU A 17 -6.732 -0.968 4.892 1.00 32.41 H new ATOM 0 HG2 GLU A 17 -4.492 -2.015 5.163 1.00 11.14 H new ATOM 0 HG3 GLU A 17 -4.456 -1.533 6.847 1.00 11.14 H new ATOM 260 N GLU A 18 -6.999 2.343 6.286 1.00 5.24 N ATOM 261 CA GLU A 18 -7.991 3.435 6.235 1.00 51.41 C ATOM 262 C GLU A 18 -7.320 4.772 5.881 1.00 44.22 C ATOM 263 O GLU A 18 -7.922 5.583 5.184 1.00 30.52 O ATOM 264 CB GLU A 18 -8.809 3.552 7.551 1.00 31.53 C ATOM 265 CG GLU A 18 -7.994 3.860 8.816 1.00 34.11 C ATOM 266 CD GLU A 18 -8.862 4.094 10.060 1.00 34.00 C ATOM 267 OE1 GLU A 18 -9.205 3.115 10.753 1.00 21.31 O ATOM 268 OE2 GLU A 18 -9.216 5.261 10.340 1.00 44.03 O ATOM 0 H GLU A 18 -6.724 2.074 7.231 1.00 5.24 H new ATOM 0 HA GLU A 18 -8.698 3.186 5.444 1.00 51.41 H new ATOM 0 HB2 GLU A 18 -9.557 4.334 7.424 1.00 31.53 H new ATOM 0 HB3 GLU A 18 -9.348 2.617 7.707 1.00 31.53 H new ATOM 0 HG2 GLU A 18 -7.311 3.033 9.009 1.00 34.11 H new ATOM 0 HG3 GLU A 18 -7.382 4.744 8.638 1.00 34.11 H new ATOM 275 N LEU A 19 -6.060 4.979 6.348 1.00 44.00 N ATOM 276 CA LEU A 19 -5.247 6.165 5.974 1.00 32.20 C ATOM 277 C LEU A 19 -5.061 6.218 4.446 1.00 14.45 C ATOM 278 O LEU A 19 -5.074 7.293 3.863 1.00 24.40 O ATOM 279 CB LEU A 19 -3.855 6.171 6.688 1.00 3.33 C ATOM 280 CG LEU A 19 -3.857 6.516 8.216 1.00 14.34 C ATOM 281 CD1 LEU A 19 -2.473 6.257 8.853 1.00 71.15 C ATOM 282 CD2 LEU A 19 -4.309 7.970 8.465 1.00 0.24 C ATOM 0 H LEU A 19 -5.586 4.338 6.985 1.00 44.00 H new ATOM 0 HA LEU A 19 -5.788 7.052 6.305 1.00 32.20 H new ATOM 0 HB2 LEU A 19 -3.401 5.188 6.560 1.00 3.33 H new ATOM 0 HB3 LEU A 19 -3.212 6.888 6.177 1.00 3.33 H new ATOM 0 HG LEU A 19 -4.578 5.854 8.696 1.00 14.34 H new ATOM 0 HD11 LEU A 19 -2.508 6.506 9.914 1.00 71.15 H new ATOM 0 HD12 LEU A 19 -2.210 5.206 8.736 1.00 71.15 H new ATOM 0 HD13 LEU A 19 -1.724 6.876 8.359 1.00 71.15 H new ATOM 0 HD21 LEU A 19 -4.299 8.176 9.535 1.00 0.24 H new ATOM 0 HD22 LEU A 19 -3.629 8.654 7.957 1.00 0.24 H new ATOM 0 HD23 LEU A 19 -5.319 8.108 8.078 1.00 0.24 H new ATOM 294 N ALA A 20 -4.936 5.024 3.827 1.00 61.21 N ATOM 295 CA ALA A 20 -4.809 4.850 2.367 1.00 33.12 C ATOM 296 C ALA A 20 -5.968 5.505 1.589 1.00 11.34 C ATOM 297 O ALA A 20 -5.761 6.019 0.492 1.00 2.41 O ATOM 298 CB ALA A 20 -4.724 3.360 2.033 1.00 40.21 C ATOM 0 H ALA A 20 -4.920 4.141 4.338 1.00 61.21 H new ATOM 0 HA ALA A 20 -3.894 5.355 2.056 1.00 33.12 H new ATOM 0 HB1 ALA A 20 -4.630 3.234 0.954 1.00 40.21 H new ATOM 0 HB2 ALA A 20 -3.854 2.926 2.526 1.00 40.21 H new ATOM 0 HB3 ALA A 20 -5.627 2.857 2.380 1.00 40.21 H new ATOM 304 N ARG A 21 -7.176 5.471 2.185 1.00 73.44 N ATOM 305 CA ARG A 21 -8.399 6.068 1.607 1.00 2.45 C ATOM 306 C ARG A 21 -8.291 7.613 1.574 1.00 75.41 C ATOM 307 O ARG A 21 -8.740 8.256 0.621 1.00 1.43 O ATOM 308 CB ARG A 21 -9.633 5.598 2.434 1.00 72.21 C ATOM 309 CG ARG A 21 -11.012 5.929 1.818 1.00 72.25 C ATOM 310 CD ARG A 21 -12.179 5.335 2.636 1.00 10.20 C ATOM 311 NE ARG A 21 -13.501 5.664 2.060 1.00 54.45 N ATOM 312 CZ ARG A 21 -14.685 5.460 2.671 1.00 42.21 C ATOM 313 NH1 ARG A 21 -14.751 4.918 3.893 1.00 52.03 N ATOM 314 NH2 ARG A 21 -15.804 5.809 2.042 1.00 42.15 N ATOM 0 H ARG A 21 -7.333 5.025 3.089 1.00 73.44 H new ATOM 0 HA ARG A 21 -8.519 5.734 0.576 1.00 2.45 H new ATOM 0 HB2 ARG A 21 -9.566 4.519 2.573 1.00 72.21 H new ATOM 0 HB3 ARG A 21 -9.579 6.051 3.424 1.00 72.21 H new ATOM 0 HG2 ARG A 21 -11.129 7.011 1.756 1.00 72.25 H new ATOM 0 HG3 ARG A 21 -11.053 5.545 0.799 1.00 72.25 H new ATOM 0 HD2 ARG A 21 -12.068 4.252 2.687 1.00 10.20 H new ATOM 0 HD3 ARG A 21 -12.129 5.709 3.659 1.00 10.20 H new ATOM 0 HE ARG A 21 -13.518 6.077 1.128 1.00 54.45 H new ATOM 0 HH11 ARG A 21 -13.895 4.651 4.379 1.00 52.03 H new ATOM 0 HH12 ARG A 21 -15.657 4.772 4.338 1.00 52.03 H new ATOM 0 HH21 ARG A 21 -15.758 6.224 1.111 1.00 42.15 H new ATOM 0 HH22 ARG A 21 -16.708 5.661 2.490 1.00 42.15 H new ATOM 328 N LYS A 22 -7.651 8.182 2.616 1.00 42.10 N ATOM 329 CA LYS A 22 -7.395 9.640 2.722 1.00 11.44 C ATOM 330 C LYS A 22 -6.308 10.047 1.700 1.00 53.32 C ATOM 331 O LYS A 22 -6.416 11.075 1.034 1.00 2.04 O ATOM 332 CB LYS A 22 -6.933 10.054 4.161 1.00 10.32 C ATOM 333 CG LYS A 22 -8.006 9.988 5.285 1.00 40.52 C ATOM 334 CD LYS A 22 -8.539 8.563 5.537 1.00 70.03 C ATOM 335 CE LYS A 22 -9.357 8.428 6.831 1.00 25.23 C ATOM 336 NZ LYS A 22 -10.557 9.307 6.869 1.00 2.13 N ATOM 0 H LYS A 22 -7.296 7.647 3.409 1.00 42.10 H new ATOM 0 HA LYS A 22 -8.331 10.156 2.511 1.00 11.44 H new ATOM 0 HB2 LYS A 22 -6.099 9.413 4.448 1.00 10.32 H new ATOM 0 HB3 LYS A 22 -6.550 11.074 4.115 1.00 10.32 H new ATOM 0 HG2 LYS A 22 -7.578 10.377 6.209 1.00 40.52 H new ATOM 0 HG3 LYS A 22 -8.840 10.639 5.021 1.00 40.52 H new ATOM 0 HD2 LYS A 22 -9.159 8.262 4.693 1.00 70.03 H new ATOM 0 HD3 LYS A 22 -7.697 7.872 5.576 1.00 70.03 H new ATOM 0 HE2 LYS A 22 -9.672 7.391 6.946 1.00 25.23 H new ATOM 0 HE3 LYS A 22 -8.717 8.663 7.682 1.00 25.23 H new ATOM 0 HZ1 LYS A 22 -11.062 9.166 7.767 1.00 2.13 H new ATOM 0 HZ2 LYS A 22 -10.262 10.301 6.790 1.00 2.13 H new ATOM 0 HZ3 LYS A 22 -11.187 9.069 6.077 1.00 2.13 H new ATOM 350 N ILE A 23 -5.273 9.196 1.603 1.00 55.32 N ATOM 351 CA ILE A 23 -4.109 9.383 0.719 1.00 3.35 C ATOM 352 C ILE A 23 -4.520 9.408 -0.771 1.00 71.54 C ATOM 353 O ILE A 23 -4.087 10.285 -1.524 1.00 52.21 O ATOM 354 CB ILE A 23 -3.052 8.233 0.997 1.00 72.31 C ATOM 355 CG1 ILE A 23 -2.473 8.351 2.451 1.00 30.34 C ATOM 356 CG2 ILE A 23 -1.914 8.210 -0.043 1.00 74.14 C ATOM 357 CD1 ILE A 23 -1.672 7.148 2.924 1.00 74.43 C ATOM 0 H ILE A 23 -5.221 8.337 2.151 1.00 55.32 H new ATOM 0 HA ILE A 23 -3.658 10.351 0.938 1.00 3.35 H new ATOM 0 HB ILE A 23 -3.584 7.286 0.905 1.00 72.31 H new ATOM 0 HG12 ILE A 23 -1.837 9.235 2.502 1.00 30.34 H new ATOM 0 HG13 ILE A 23 -3.300 8.513 3.143 1.00 30.34 H new ATOM 0 HG21 ILE A 23 -1.220 7.404 0.195 1.00 74.14 H new ATOM 0 HG22 ILE A 23 -2.332 8.047 -1.036 1.00 74.14 H new ATOM 0 HG23 ILE A 23 -1.385 9.163 -0.024 1.00 74.14 H new ATOM 0 HD11 ILE A 23 -1.315 7.325 3.938 1.00 74.43 H new ATOM 0 HD12 ILE A 23 -2.306 6.261 2.912 1.00 74.43 H new ATOM 0 HD13 ILE A 23 -0.821 6.994 2.261 1.00 74.43 H new ATOM 369 N LYS A 24 -5.383 8.453 -1.187 1.00 32.44 N ATOM 370 CA LYS A 24 -5.836 8.354 -2.591 1.00 4.20 C ATOM 371 C LYS A 24 -6.893 9.400 -2.946 1.00 24.23 C ATOM 372 O LYS A 24 -7.146 9.629 -4.135 1.00 44.14 O ATOM 373 CB LYS A 24 -6.289 6.932 -2.984 1.00 25.51 C ATOM 374 CG LYS A 24 -7.507 6.335 -2.254 1.00 21.33 C ATOM 375 CD LYS A 24 -8.069 5.093 -3.007 1.00 31.23 C ATOM 376 CE LYS A 24 -6.977 4.100 -3.468 1.00 34.44 C ATOM 377 NZ LYS A 24 -7.540 2.973 -4.253 1.00 0.14 N ATOM 0 H LYS A 24 -5.778 7.742 -0.571 1.00 32.44 H new ATOM 0 HA LYS A 24 -4.954 8.575 -3.192 1.00 4.20 H new ATOM 0 HB2 LYS A 24 -6.507 6.934 -4.052 1.00 25.51 H new ATOM 0 HB3 LYS A 24 -5.445 6.259 -2.832 1.00 25.51 H new ATOM 0 HG2 LYS A 24 -7.222 6.050 -1.241 1.00 21.33 H new ATOM 0 HG3 LYS A 24 -8.286 7.092 -2.165 1.00 21.33 H new ATOM 0 HD2 LYS A 24 -8.771 4.571 -2.356 1.00 31.23 H new ATOM 0 HD3 LYS A 24 -8.632 5.431 -3.877 1.00 31.23 H new ATOM 0 HE2 LYS A 24 -6.239 4.628 -4.072 1.00 34.44 H new ATOM 0 HE3 LYS A 24 -6.453 3.708 -2.596 1.00 34.44 H new ATOM 0 HZ1 LYS A 24 -6.807 2.249 -4.396 1.00 0.14 H new ATOM 0 HZ2 LYS A 24 -8.342 2.557 -3.737 1.00 0.14 H new ATOM 0 HZ3 LYS A 24 -7.866 3.322 -5.177 1.00 0.14 H new ATOM 391 N ASP A 25 -7.519 10.012 -1.919 1.00 54.52 N ATOM 392 CA ASP A 25 -8.465 11.140 -2.094 1.00 62.34 C ATOM 393 C ASP A 25 -7.781 12.379 -2.754 1.00 25.14 C ATOM 394 O ASP A 25 -8.454 13.315 -3.196 1.00 50.44 O ATOM 395 CB ASP A 25 -9.096 11.507 -0.721 1.00 43.20 C ATOM 396 CG ASP A 25 -10.259 12.511 -0.833 1.00 65.41 C ATOM 397 OD1 ASP A 25 -11.345 12.112 -1.296 1.00 51.12 O ATOM 398 OD2 ASP A 25 -10.100 13.693 -0.457 1.00 3.43 O ATOM 0 H ASP A 25 -7.385 9.740 -0.945 1.00 54.52 H new ATOM 0 HA ASP A 25 -9.255 10.824 -2.775 1.00 62.34 H new ATOM 0 HB2 ASP A 25 -9.456 10.598 -0.240 1.00 43.20 H new ATOM 0 HB3 ASP A 25 -8.325 11.926 -0.075 1.00 43.20 H new ATOM 403 N GLU A 26 -6.433 12.350 -2.831 1.00 51.21 N ATOM 404 CA GLU A 26 -5.617 13.333 -3.583 1.00 4.44 C ATOM 405 C GLU A 26 -5.699 13.128 -5.113 1.00 63.53 C ATOM 406 O GLU A 26 -5.187 13.959 -5.878 1.00 62.25 O ATOM 407 CB GLU A 26 -4.141 13.209 -3.132 1.00 74.41 C ATOM 408 CG GLU A 26 -3.876 13.614 -1.675 1.00 42.13 C ATOM 409 CD GLU A 26 -4.073 15.114 -1.430 1.00 31.12 C ATOM 410 OE1 GLU A 26 -3.192 15.903 -1.827 1.00 43.41 O ATOM 411 OE2 GLU A 26 -5.108 15.520 -0.856 1.00 53.14 O ATOM 0 H GLU A 26 -5.872 11.635 -2.368 1.00 51.21 H new ATOM 0 HA GLU A 26 -6.013 14.325 -3.366 1.00 4.44 H new ATOM 0 HB2 GLU A 26 -3.819 12.177 -3.272 1.00 74.41 H new ATOM 0 HB3 GLU A 26 -3.524 13.827 -3.784 1.00 74.41 H new ATOM 0 HG2 GLU A 26 -4.542 13.053 -1.020 1.00 42.13 H new ATOM 0 HG3 GLU A 26 -2.857 13.337 -1.405 1.00 42.13 H new ATOM 418 N GLY A 27 -6.317 12.017 -5.546 1.00 1.45 N ATOM 419 CA GLY A 27 -6.418 11.669 -6.965 1.00 32.32 C ATOM 420 C GLY A 27 -5.251 10.818 -7.446 1.00 41.14 C ATOM 421 O GLY A 27 -4.870 10.878 -8.621 1.00 71.31 O ATOM 0 H GLY A 27 -6.757 11.340 -4.922 1.00 1.45 H new ATOM 0 HA2 GLY A 27 -7.350 11.131 -7.137 1.00 32.32 H new ATOM 0 HA3 GLY A 27 -6.464 12.583 -7.557 1.00 32.32 H new ATOM 425 N LEU A 28 -4.685 10.014 -6.530 1.00 74.23 N ATOM 426 CA LEU A 28 -3.562 9.095 -6.823 1.00 13.30 C ATOM 427 C LEU A 28 -3.972 7.653 -6.478 1.00 41.40 C ATOM 428 O LEU A 28 -4.911 7.458 -5.713 1.00 31.02 O ATOM 429 CB LEU A 28 -2.295 9.553 -6.041 1.00 61.31 C ATOM 430 CG LEU A 28 -2.385 9.637 -4.470 1.00 14.02 C ATOM 431 CD1 LEU A 28 -2.085 8.281 -3.791 1.00 21.00 C ATOM 432 CD2 LEU A 28 -1.459 10.735 -3.924 1.00 61.23 C ATOM 0 H LEU A 28 -4.993 9.980 -5.558 1.00 74.23 H new ATOM 0 HA LEU A 28 -3.319 9.121 -7.885 1.00 13.30 H new ATOM 0 HB2 LEU A 28 -1.483 8.871 -6.293 1.00 61.31 H new ATOM 0 HB3 LEU A 28 -2.011 10.538 -6.412 1.00 61.31 H new ATOM 0 HG LEU A 28 -3.415 9.897 -4.226 1.00 14.02 H new ATOM 0 HD11 LEU A 28 -2.160 8.391 -2.709 1.00 21.00 H new ATOM 0 HD12 LEU A 28 -2.805 7.537 -4.130 1.00 21.00 H new ATOM 0 HD13 LEU A 28 -1.078 7.957 -4.054 1.00 21.00 H new ATOM 0 HD21 LEU A 28 -1.540 10.772 -2.838 1.00 61.23 H new ATOM 0 HD22 LEU A 28 -0.429 10.515 -4.204 1.00 61.23 H new ATOM 0 HD23 LEU A 28 -1.750 11.698 -4.343 1.00 61.23 H new ATOM 444 N GLU A 29 -3.292 6.647 -7.054 1.00 64.11 N ATOM 445 CA GLU A 29 -3.562 5.228 -6.736 1.00 24.53 C ATOM 446 C GLU A 29 -2.739 4.774 -5.514 1.00 62.40 C ATOM 447 O GLU A 29 -1.597 5.194 -5.341 1.00 31.34 O ATOM 448 CB GLU A 29 -3.242 4.336 -7.968 1.00 33.41 C ATOM 449 CG GLU A 29 -3.553 2.826 -7.787 1.00 71.35 C ATOM 450 CD GLU A 29 -5.030 2.533 -7.451 1.00 14.33 C ATOM 451 OE1 GLU A 29 -5.845 2.383 -8.384 1.00 32.34 O ATOM 452 OE2 GLU A 29 -5.381 2.450 -6.249 1.00 3.45 O ATOM 0 H GLU A 29 -2.552 6.786 -7.742 1.00 64.11 H new ATOM 0 HA GLU A 29 -4.619 5.124 -6.490 1.00 24.53 H new ATOM 0 HB2 GLU A 29 -3.807 4.708 -8.823 1.00 33.41 H new ATOM 0 HB3 GLU A 29 -2.186 4.447 -8.212 1.00 33.41 H new ATOM 0 HG2 GLU A 29 -3.286 2.297 -8.702 1.00 71.35 H new ATOM 0 HG3 GLU A 29 -2.923 2.427 -6.992 1.00 71.35 H new ATOM 459 N VAL A 30 -3.339 3.913 -4.667 1.00 11.01 N ATOM 460 CA VAL A 30 -2.650 3.262 -3.541 1.00 2.21 C ATOM 461 C VAL A 30 -2.721 1.727 -3.713 1.00 43.01 C ATOM 462 O VAL A 30 -3.807 1.165 -3.921 1.00 60.32 O ATOM 463 CB VAL A 30 -3.248 3.679 -2.142 1.00 12.11 C ATOM 464 CG1 VAL A 30 -2.510 2.965 -0.987 1.00 11.31 C ATOM 465 CG2 VAL A 30 -3.184 5.208 -1.944 1.00 72.53 C ATOM 0 H VAL A 30 -4.321 3.650 -4.748 1.00 11.01 H new ATOM 0 HA VAL A 30 -1.612 3.595 -3.553 1.00 2.21 H new ATOM 0 HB VAL A 30 -4.294 3.371 -2.129 1.00 12.11 H new ATOM 0 HG11 VAL A 30 -2.943 3.271 -0.035 1.00 11.31 H new ATOM 0 HG12 VAL A 30 -2.612 1.886 -1.102 1.00 11.31 H new ATOM 0 HG13 VAL A 30 -1.454 3.234 -1.009 1.00 11.31 H new ATOM 0 HG21 VAL A 30 -3.603 5.467 -0.972 1.00 72.53 H new ATOM 0 HG22 VAL A 30 -2.146 5.538 -1.992 1.00 72.53 H new ATOM 0 HG23 VAL A 30 -3.758 5.701 -2.729 1.00 72.53 H new ATOM 475 N TYR A 31 -1.555 1.070 -3.597 1.00 73.12 N ATOM 476 CA TYR A 31 -1.400 -0.380 -3.688 1.00 10.20 C ATOM 477 C TYR A 31 -1.037 -0.905 -2.296 1.00 33.04 C ATOM 478 O TYR A 31 0.003 -0.531 -1.764 1.00 53.12 O ATOM 479 CB TYR A 31 -0.264 -0.749 -4.669 1.00 60.32 C ATOM 480 CG TYR A 31 -0.487 -0.342 -6.135 1.00 14.41 C ATOM 481 CD1 TYR A 31 -1.110 -1.208 -7.038 1.00 21.42 C ATOM 482 CD2 TYR A 31 -0.048 0.892 -6.625 1.00 35.23 C ATOM 483 CE1 TYR A 31 -1.283 -0.860 -8.368 1.00 2.42 C ATOM 484 CE2 TYR A 31 -0.225 1.237 -7.949 1.00 0.33 C ATOM 485 CZ TYR A 31 -0.840 0.366 -8.814 1.00 21.25 C ATOM 486 OH TYR A 31 -1.015 0.727 -10.133 1.00 31.32 O ATOM 0 H TYR A 31 -0.672 1.553 -3.433 1.00 73.12 H new ATOM 0 HA TYR A 31 -2.329 -0.821 -4.049 1.00 10.20 H new ATOM 0 HB2 TYR A 31 0.658 -0.285 -4.319 1.00 60.32 H new ATOM 0 HB3 TYR A 31 -0.112 -1.828 -4.630 1.00 60.32 H new ATOM 0 HD1 TYR A 31 -1.464 -2.168 -6.692 1.00 21.42 H new ATOM 0 HD2 TYR A 31 0.438 1.587 -5.956 1.00 35.23 H new ATOM 0 HE1 TYR A 31 -1.762 -1.546 -9.051 1.00 2.42 H new ATOM 0 HE2 TYR A 31 0.121 2.196 -8.306 1.00 0.33 H new ATOM 0 HH TYR A 31 -0.646 1.623 -10.279 1.00 31.32 H new ATOM 496 N ILE A 32 -1.874 -1.748 -1.693 1.00 53.34 N ATOM 497 CA ILE A 32 -1.588 -2.292 -0.354 1.00 41.53 C ATOM 498 C ILE A 32 -0.904 -3.672 -0.509 1.00 70.44 C ATOM 499 O ILE A 32 -1.448 -4.552 -1.168 1.00 15.41 O ATOM 500 CB ILE A 32 -2.892 -2.428 0.528 1.00 54.24 C ATOM 501 CG1 ILE A 32 -3.830 -1.178 0.408 1.00 1.51 C ATOM 502 CG2 ILE A 32 -2.517 -2.666 2.012 1.00 12.13 C ATOM 503 CD1 ILE A 32 -3.302 0.088 1.048 1.00 11.40 C ATOM 0 H ILE A 32 -2.751 -2.071 -2.102 1.00 53.34 H new ATOM 0 HA ILE A 32 -0.927 -1.596 0.162 1.00 41.53 H new ATOM 0 HB ILE A 32 -3.444 -3.287 0.147 1.00 54.24 H new ATOM 0 HG12 ILE A 32 -4.015 -0.982 -0.648 1.00 1.51 H new ATOM 0 HG13 ILE A 32 -4.792 -1.421 0.860 1.00 1.51 H new ATOM 0 HG21 ILE A 32 -3.426 -2.758 2.607 1.00 12.13 H new ATOM 0 HG22 ILE A 32 -1.934 -3.583 2.097 1.00 12.13 H new ATOM 0 HG23 ILE A 32 -1.927 -1.825 2.378 1.00 12.13 H new ATOM 0 HD11 ILE A 32 -4.023 0.893 0.910 1.00 11.40 H new ATOM 0 HD12 ILE A 32 -3.145 -0.081 2.113 1.00 11.40 H new ATOM 0 HD13 ILE A 32 -2.356 0.364 0.582 1.00 11.40 H new ATOM 515 N LEU A 33 0.302 -3.857 0.054 1.00 31.01 N ATOM 516 CA LEU A 33 0.979 -5.166 0.081 1.00 32.11 C ATOM 517 C LEU A 33 0.735 -5.828 1.436 1.00 61.12 C ATOM 518 O LEU A 33 1.325 -5.441 2.447 1.00 53.23 O ATOM 519 CB LEU A 33 2.502 -5.028 -0.211 1.00 53.14 C ATOM 520 CG LEU A 33 2.869 -4.465 -1.618 1.00 75.13 C ATOM 521 CD1 LEU A 33 4.389 -4.519 -1.872 1.00 1.12 C ATOM 522 CD2 LEU A 33 2.080 -5.181 -2.736 1.00 25.33 C ATOM 0 H LEU A 33 0.833 -3.109 0.501 1.00 31.01 H new ATOM 0 HA LEU A 33 0.564 -5.794 -0.707 1.00 32.11 H new ATOM 0 HB2 LEU A 33 2.942 -4.379 0.546 1.00 53.14 H new ATOM 0 HB3 LEU A 33 2.966 -6.008 -0.099 1.00 53.14 H new ATOM 0 HG LEU A 33 2.577 -3.415 -1.635 1.00 75.13 H new ATOM 0 HD11 LEU A 33 4.607 -4.119 -2.862 1.00 1.12 H new ATOM 0 HD12 LEU A 33 4.905 -3.924 -1.118 1.00 1.12 H new ATOM 0 HD13 LEU A 33 4.731 -5.552 -1.815 1.00 1.12 H new ATOM 0 HD21 LEU A 33 2.360 -4.764 -3.703 1.00 25.33 H new ATOM 0 HD22 LEU A 33 2.311 -6.246 -2.719 1.00 25.33 H new ATOM 0 HD23 LEU A 33 1.011 -5.039 -2.575 1.00 25.33 H new ATOM 534 N LEU A 34 -0.154 -6.822 1.439 1.00 55.31 N ATOM 535 CA LEU A 34 -0.551 -7.552 2.644 1.00 43.33 C ATOM 536 C LEU A 34 0.394 -8.757 2.824 1.00 22.51 C ATOM 537 O LEU A 34 0.593 -9.547 1.891 1.00 63.32 O ATOM 538 CB LEU A 34 -2.053 -8.020 2.542 1.00 43.33 C ATOM 539 CG LEU A 34 -3.088 -7.340 3.508 1.00 24.40 C ATOM 540 CD1 LEU A 34 -2.742 -7.555 4.997 1.00 14.15 C ATOM 541 CD2 LEU A 34 -3.247 -5.854 3.193 1.00 12.24 C ATOM 0 H LEU A 34 -0.625 -7.147 0.594 1.00 55.31 H new ATOM 0 HA LEU A 34 -0.474 -6.899 3.513 1.00 43.33 H new ATOM 0 HB2 LEU A 34 -2.389 -7.855 1.518 1.00 43.33 H new ATOM 0 HB3 LEU A 34 -2.084 -9.095 2.718 1.00 43.33 H new ATOM 0 HG LEU A 34 -4.045 -7.832 3.332 1.00 24.40 H new ATOM 0 HD11 LEU A 34 -3.490 -7.064 5.619 1.00 14.15 H new ATOM 0 HD12 LEU A 34 -2.731 -8.622 5.217 1.00 14.15 H new ATOM 0 HD13 LEU A 34 -1.760 -7.131 5.207 1.00 14.15 H new ATOM 0 HD21 LEU A 34 -3.970 -5.412 3.879 1.00 12.24 H new ATOM 0 HD22 LEU A 34 -2.286 -5.353 3.307 1.00 12.24 H new ATOM 0 HD23 LEU A 34 -3.599 -5.735 2.168 1.00 12.24 H new ATOM 553 N LYS A 35 0.972 -8.879 4.025 1.00 60.45 N ATOM 554 CA LYS A 35 1.743 -10.053 4.449 1.00 24.14 C ATOM 555 C LYS A 35 1.531 -10.256 5.964 1.00 32.11 C ATOM 556 O LYS A 35 1.771 -9.351 6.768 1.00 24.44 O ATOM 557 CB LYS A 35 3.254 -9.923 4.083 1.00 4.30 C ATOM 558 CG LYS A 35 3.937 -8.622 4.559 1.00 70.24 C ATOM 559 CD LYS A 35 5.483 -8.725 4.537 1.00 20.25 C ATOM 560 CE LYS A 35 6.156 -7.506 5.184 1.00 10.32 C ATOM 561 NZ LYS A 35 7.628 -7.662 5.314 1.00 15.15 N ATOM 0 H LYS A 35 0.916 -8.154 4.740 1.00 60.45 H new ATOM 0 HA LYS A 35 1.386 -10.932 3.913 1.00 24.14 H new ATOM 0 HB2 LYS A 35 3.789 -10.772 4.509 1.00 4.30 H new ATOM 0 HB3 LYS A 35 3.356 -9.993 3.000 1.00 4.30 H new ATOM 0 HG2 LYS A 35 3.621 -7.795 3.923 1.00 70.24 H new ATOM 0 HG3 LYS A 35 3.605 -8.390 5.571 1.00 70.24 H new ATOM 0 HD2 LYS A 35 5.792 -9.629 5.061 1.00 20.25 H new ATOM 0 HD3 LYS A 35 5.824 -8.821 3.506 1.00 20.25 H new ATOM 0 HE2 LYS A 35 5.941 -6.619 4.588 1.00 10.32 H new ATOM 0 HE3 LYS A 35 5.724 -7.340 6.171 1.00 10.32 H new ATOM 0 HZ1 LYS A 35 7.888 -7.672 6.321 1.00 15.15 H new ATOM 0 HZ2 LYS A 35 7.923 -8.556 4.871 1.00 15.15 H new ATOM 0 HZ3 LYS A 35 8.104 -6.868 4.841 1.00 15.15 H new ATOM 575 N ASP A 36 1.044 -11.438 6.335 1.00 3.33 N ATOM 576 CA ASP A 36 0.712 -11.808 7.724 1.00 74.34 C ATOM 577 C ASP A 36 1.314 -13.193 8.011 1.00 2.51 C ATOM 578 O ASP A 36 1.809 -13.851 7.086 1.00 72.44 O ATOM 579 CB ASP A 36 -0.835 -11.807 7.897 1.00 73.13 C ATOM 580 CG ASP A 36 -1.313 -11.976 9.353 1.00 22.31 C ATOM 581 OD1 ASP A 36 -1.357 -10.974 10.092 1.00 71.34 O ATOM 582 OD2 ASP A 36 -1.656 -13.107 9.762 1.00 13.15 O ATOM 0 H ASP A 36 0.862 -12.188 5.668 1.00 3.33 H new ATOM 0 HA ASP A 36 1.128 -11.092 8.433 1.00 74.34 H new ATOM 0 HB2 ASP A 36 -1.232 -10.871 7.503 1.00 73.13 H new ATOM 0 HB3 ASP A 36 -1.256 -12.611 7.293 1.00 73.13 H new ATOM 587 N LYS A 37 1.271 -13.631 9.283 1.00 41.21 N ATOM 588 CA LYS A 37 1.803 -14.942 9.700 1.00 55.43 C ATOM 589 C LYS A 37 0.918 -16.093 9.162 1.00 13.42 C ATOM 590 O LYS A 37 1.416 -17.189 8.870 1.00 22.32 O ATOM 591 CB LYS A 37 1.912 -14.998 11.251 1.00 2.55 C ATOM 592 CG LYS A 37 2.812 -16.139 11.807 1.00 71.54 C ATOM 593 CD LYS A 37 4.297 -16.023 11.354 1.00 61.40 C ATOM 594 CE LYS A 37 4.967 -14.704 11.796 1.00 2.52 C ATOM 595 NZ LYS A 37 6.363 -14.584 11.297 1.00 2.53 N ATOM 0 H LYS A 37 0.868 -13.089 10.048 1.00 41.21 H new ATOM 0 HA LYS A 37 2.799 -15.068 9.276 1.00 55.43 H new ATOM 0 HB2 LYS A 37 2.300 -14.044 11.607 1.00 2.55 H new ATOM 0 HB3 LYS A 37 0.911 -15.111 11.667 1.00 2.55 H new ATOM 0 HG2 LYS A 37 2.769 -16.129 12.896 1.00 71.54 H new ATOM 0 HG3 LYS A 37 2.413 -17.100 11.481 1.00 71.54 H new ATOM 0 HD2 LYS A 37 4.861 -16.863 11.760 1.00 61.40 H new ATOM 0 HD3 LYS A 37 4.346 -16.102 10.268 1.00 61.40 H new ATOM 0 HE2 LYS A 37 4.380 -13.861 11.432 1.00 2.52 H new ATOM 0 HE3 LYS A 37 4.967 -14.646 12.884 1.00 2.52 H new ATOM 0 HZ1 LYS A 37 6.771 -13.683 11.619 1.00 2.53 H new ATOM 0 HZ2 LYS A 37 6.932 -15.373 11.665 1.00 2.53 H new ATOM 0 HZ3 LYS A 37 6.364 -14.612 10.257 1.00 2.53 H new ATOM 609 N ASP A 38 -0.390 -15.817 9.012 1.00 31.23 N ATOM 610 CA ASP A 38 -1.384 -16.790 8.524 1.00 62.21 C ATOM 611 C ASP A 38 -1.966 -16.313 7.179 1.00 71.04 C ATOM 612 O ASP A 38 -2.668 -15.297 7.138 1.00 25.33 O ATOM 613 CB ASP A 38 -2.514 -16.959 9.572 1.00 63.33 C ATOM 614 CG ASP A 38 -3.585 -17.969 9.125 1.00 43.23 C ATOM 615 OD1 ASP A 38 -3.350 -19.190 9.256 1.00 41.44 O ATOM 616 OD2 ASP A 38 -4.648 -17.558 8.622 1.00 53.02 O ATOM 0 H ASP A 38 -0.790 -14.904 9.228 1.00 31.23 H new ATOM 0 HA ASP A 38 -0.900 -17.755 8.373 1.00 62.21 H new ATOM 0 HB2 ASP A 38 -2.082 -17.287 10.518 1.00 63.33 H new ATOM 0 HB3 ASP A 38 -2.984 -15.993 9.754 1.00 63.33 H new ATOM 621 N GLU A 39 -1.667 -17.060 6.091 1.00 64.32 N ATOM 622 CA GLU A 39 -2.089 -16.715 4.713 1.00 62.43 C ATOM 623 C GLU A 39 -3.617 -16.805 4.472 1.00 22.41 C ATOM 624 O GLU A 39 -4.096 -16.261 3.473 1.00 72.23 O ATOM 625 CB GLU A 39 -1.350 -17.587 3.661 1.00 75.10 C ATOM 626 CG GLU A 39 0.182 -17.403 3.630 1.00 2.14 C ATOM 627 CD GLU A 39 0.843 -18.157 2.465 1.00 0.02 C ATOM 628 OE1 GLU A 39 0.940 -17.590 1.348 1.00 23.35 O ATOM 629 OE2 GLU A 39 1.248 -19.327 2.642 1.00 61.40 O ATOM 0 H GLU A 39 -1.124 -17.922 6.144 1.00 64.32 H new ATOM 0 HA GLU A 39 -1.812 -15.668 4.594 1.00 62.43 H new ATOM 0 HB2 GLU A 39 -1.572 -18.636 3.858 1.00 75.10 H new ATOM 0 HB3 GLU A 39 -1.750 -17.357 2.673 1.00 75.10 H new ATOM 0 HG2 GLU A 39 0.415 -16.341 3.550 1.00 2.14 H new ATOM 0 HG3 GLU A 39 0.606 -17.753 4.572 1.00 2.14 H new ATOM 636 N LYS A 40 -4.383 -17.475 5.368 1.00 71.41 N ATOM 637 CA LYS A 40 -5.844 -17.647 5.178 1.00 24.55 C ATOM 638 C LYS A 40 -6.571 -16.321 5.429 1.00 43.30 C ATOM 639 O LYS A 40 -7.206 -15.774 4.517 1.00 45.44 O ATOM 640 CB LYS A 40 -6.419 -18.756 6.102 1.00 2.35 C ATOM 641 CG LYS A 40 -5.779 -20.143 5.888 1.00 21.51 C ATOM 642 CD LYS A 40 -6.438 -21.253 6.735 1.00 75.21 C ATOM 643 CE LYS A 40 -7.924 -21.478 6.392 1.00 31.41 C ATOM 644 NZ LYS A 40 -8.140 -21.814 4.957 1.00 65.31 N ATOM 0 H LYS A 40 -4.018 -17.901 6.220 1.00 71.41 H new ATOM 0 HA LYS A 40 -6.008 -17.958 4.146 1.00 24.55 H new ATOM 0 HB2 LYS A 40 -6.278 -18.458 7.141 1.00 2.35 H new ATOM 0 HB3 LYS A 40 -7.493 -18.833 5.935 1.00 2.35 H new ATOM 0 HG2 LYS A 40 -5.849 -20.410 4.833 1.00 21.51 H new ATOM 0 HG3 LYS A 40 -4.718 -20.089 6.134 1.00 21.51 H new ATOM 0 HD2 LYS A 40 -5.893 -22.185 6.588 1.00 75.21 H new ATOM 0 HD3 LYS A 40 -6.350 -20.996 7.791 1.00 75.21 H new ATOM 0 HE2 LYS A 40 -8.318 -22.283 7.012 1.00 31.41 H new ATOM 0 HE3 LYS A 40 -8.489 -20.580 6.639 1.00 31.41 H new ATOM 0 HZ1 LYS A 40 -9.140 -22.054 4.803 1.00 65.31 H new ATOM 0 HZ2 LYS A 40 -7.886 -20.996 4.367 1.00 65.31 H new ATOM 0 HZ3 LYS A 40 -7.545 -22.627 4.697 1.00 65.31 H new ATOM 658 N ARG A 41 -6.412 -15.785 6.659 1.00 54.51 N ATOM 659 CA ARG A 41 -7.066 -14.524 7.074 1.00 2.42 C ATOM 660 C ARG A 41 -6.453 -13.335 6.317 1.00 5.24 C ATOM 661 O ARG A 41 -7.078 -12.282 6.173 1.00 71.43 O ATOM 662 CB ARG A 41 -6.937 -14.309 8.608 1.00 71.11 C ATOM 663 CG ARG A 41 -7.247 -15.560 9.465 1.00 52.30 C ATOM 664 CD ARG A 41 -8.651 -16.151 9.220 1.00 33.22 C ATOM 665 NE ARG A 41 -8.772 -17.515 9.767 1.00 64.54 N ATOM 666 CZ ARG A 41 -9.339 -18.559 9.139 1.00 31.22 C ATOM 667 NH1 ARG A 41 -9.865 -18.424 7.929 1.00 41.42 N ATOM 668 NH2 ARG A 41 -9.337 -19.746 9.713 1.00 22.35 N ATOM 0 H ARG A 41 -5.834 -16.208 7.385 1.00 54.51 H new ATOM 0 HA ARG A 41 -8.126 -14.593 6.829 1.00 2.42 H new ATOM 0 HB2 ARG A 41 -5.923 -13.975 8.830 1.00 71.11 H new ATOM 0 HB3 ARG A 41 -7.610 -13.505 8.906 1.00 71.11 H new ATOM 0 HG2 ARG A 41 -6.500 -16.326 9.257 1.00 52.30 H new ATOM 0 HG3 ARG A 41 -7.152 -15.299 10.519 1.00 52.30 H new ATOM 0 HD2 ARG A 41 -9.402 -15.507 9.678 1.00 33.22 H new ATOM 0 HD3 ARG A 41 -8.857 -16.169 8.150 1.00 33.22 H new ATOM 0 HE ARG A 41 -8.394 -17.680 10.700 1.00 64.54 H new ATOM 0 HH11 ARG A 41 -9.843 -17.518 7.461 1.00 41.42 H new ATOM 0 HH12 ARG A 41 -10.292 -19.226 7.466 1.00 41.42 H new ATOM 0 HH21 ARG A 41 -8.906 -19.869 10.630 1.00 22.35 H new ATOM 0 HH22 ARG A 41 -9.766 -20.542 9.241 1.00 22.35 H new ATOM 682 N LEU A 42 -5.215 -13.546 5.848 1.00 75.13 N ATOM 683 CA LEU A 42 -4.461 -12.613 5.019 1.00 41.31 C ATOM 684 C LEU A 42 -5.160 -12.377 3.670 1.00 44.00 C ATOM 685 O LEU A 42 -5.401 -11.232 3.296 1.00 63.31 O ATOM 686 CB LEU A 42 -3.049 -13.204 4.817 1.00 63.24 C ATOM 687 CG LEU A 42 -2.034 -12.396 3.966 1.00 41.45 C ATOM 688 CD1 LEU A 42 -1.886 -10.978 4.508 1.00 61.20 C ATOM 689 CD2 LEU A 42 -0.669 -13.125 3.916 1.00 21.32 C ATOM 0 H LEU A 42 -4.699 -14.403 6.046 1.00 75.13 H new ATOM 0 HA LEU A 42 -4.397 -11.642 5.510 1.00 41.31 H new ATOM 0 HB2 LEU A 42 -2.609 -13.360 5.802 1.00 63.24 H new ATOM 0 HB3 LEU A 42 -3.161 -14.187 4.359 1.00 63.24 H new ATOM 0 HG LEU A 42 -2.413 -12.324 2.947 1.00 41.45 H new ATOM 0 HD11 LEU A 42 -1.170 -10.428 3.897 1.00 61.20 H new ATOM 0 HD12 LEU A 42 -2.852 -10.474 4.477 1.00 61.20 H new ATOM 0 HD13 LEU A 42 -1.530 -11.017 5.538 1.00 61.20 H new ATOM 0 HD21 LEU A 42 0.031 -12.545 3.315 1.00 21.32 H new ATOM 0 HD22 LEU A 42 -0.277 -13.233 4.927 1.00 21.32 H new ATOM 0 HD23 LEU A 42 -0.799 -14.111 3.470 1.00 21.32 H new ATOM 701 N GLU A 43 -5.505 -13.475 2.965 1.00 32.25 N ATOM 702 CA GLU A 43 -6.200 -13.409 1.659 1.00 42.21 C ATOM 703 C GLU A 43 -7.592 -12.764 1.793 1.00 71.11 C ATOM 704 O GLU A 43 -8.012 -12.013 0.921 1.00 1.53 O ATOM 705 CB GLU A 43 -6.314 -14.824 1.041 1.00 50.33 C ATOM 706 CG GLU A 43 -4.986 -15.396 0.502 1.00 34.50 C ATOM 707 CD GLU A 43 -4.516 -14.728 -0.811 1.00 23.31 C ATOM 708 OE1 GLU A 43 -3.816 -13.702 -0.760 1.00 1.01 O ATOM 709 OE2 GLU A 43 -4.855 -15.234 -1.907 1.00 63.44 O ATOM 0 H GLU A 43 -5.312 -14.426 3.280 1.00 32.25 H new ATOM 0 HA GLU A 43 -5.608 -12.780 0.995 1.00 42.21 H new ATOM 0 HB2 GLU A 43 -6.709 -15.505 1.795 1.00 50.33 H new ATOM 0 HB3 GLU A 43 -7.039 -14.794 0.227 1.00 50.33 H new ATOM 0 HG2 GLU A 43 -4.212 -15.274 1.260 1.00 34.50 H new ATOM 0 HG3 GLU A 43 -5.102 -16.467 0.335 1.00 34.50 H new ATOM 716 N GLU A 44 -8.274 -13.061 2.912 1.00 63.40 N ATOM 717 CA GLU A 44 -9.600 -12.503 3.228 1.00 41.11 C ATOM 718 C GLU A 44 -9.508 -10.979 3.479 1.00 41.33 C ATOM 719 O GLU A 44 -10.376 -10.217 3.047 1.00 72.40 O ATOM 720 CB GLU A 44 -10.172 -13.241 4.462 1.00 70.13 C ATOM 721 CG GLU A 44 -10.421 -14.748 4.221 1.00 4.24 C ATOM 722 CD GLU A 44 -10.724 -15.520 5.510 1.00 30.33 C ATOM 723 OE1 GLU A 44 -11.841 -15.382 6.049 1.00 24.40 O ATOM 724 OE2 GLU A 44 -9.850 -16.269 5.999 1.00 41.34 O ATOM 0 H GLU A 44 -7.920 -13.698 3.626 1.00 63.40 H new ATOM 0 HA GLU A 44 -10.271 -12.650 2.381 1.00 41.11 H new ATOM 0 HB2 GLU A 44 -9.481 -13.124 5.297 1.00 70.13 H new ATOM 0 HB3 GLU A 44 -11.110 -12.769 4.755 1.00 70.13 H new ATOM 0 HG2 GLU A 44 -11.255 -14.866 3.529 1.00 4.24 H new ATOM 0 HG3 GLU A 44 -9.544 -15.183 3.741 1.00 4.24 H new ATOM 731 N LYS A 45 -8.406 -10.565 4.145 1.00 2.21 N ATOM 732 CA LYS A 45 -8.083 -9.151 4.450 1.00 44.12 C ATOM 733 C LYS A 45 -7.911 -8.354 3.135 1.00 74.44 C ATOM 734 O LYS A 45 -8.410 -7.222 2.988 1.00 62.23 O ATOM 735 CB LYS A 45 -6.773 -9.117 5.308 1.00 21.20 C ATOM 736 CG LYS A 45 -6.365 -7.756 5.927 1.00 64.11 C ATOM 737 CD LYS A 45 -7.248 -7.288 7.124 1.00 4.23 C ATOM 738 CE LYS A 45 -8.528 -6.547 6.701 1.00 22.01 C ATOM 739 NZ LYS A 45 -8.218 -5.418 5.787 1.00 52.22 N ATOM 0 H LYS A 45 -7.702 -11.217 4.492 1.00 2.21 H new ATOM 0 HA LYS A 45 -8.893 -8.688 5.014 1.00 44.12 H new ATOM 0 HB2 LYS A 45 -6.882 -9.837 6.119 1.00 21.20 H new ATOM 0 HB3 LYS A 45 -5.951 -9.463 4.682 1.00 21.20 H new ATOM 0 HG2 LYS A 45 -5.330 -7.821 6.262 1.00 64.11 H new ATOM 0 HG3 LYS A 45 -6.401 -6.994 5.148 1.00 64.11 H new ATOM 0 HD2 LYS A 45 -7.523 -8.157 7.721 1.00 4.23 H new ATOM 0 HD3 LYS A 45 -6.657 -6.635 7.766 1.00 4.23 H new ATOM 0 HE2 LYS A 45 -9.207 -7.242 6.207 1.00 22.01 H new ATOM 0 HE3 LYS A 45 -9.043 -6.172 7.585 1.00 22.01 H new ATOM 0 HZ1 LYS A 45 -9.103 -4.968 5.478 1.00 52.22 H new ATOM 0 HZ2 LYS A 45 -7.630 -4.719 6.285 1.00 52.22 H new ATOM 0 HZ3 LYS A 45 -7.703 -5.775 4.957 1.00 52.22 H new ATOM 753 N ILE A 46 -7.239 -9.024 2.181 1.00 23.02 N ATOM 754 CA ILE A 46 -7.006 -8.540 0.815 1.00 51.44 C ATOM 755 C ILE A 46 -8.343 -8.334 0.069 1.00 52.11 C ATOM 756 O ILE A 46 -8.547 -7.275 -0.522 1.00 54.43 O ATOM 757 CB ILE A 46 -6.071 -9.557 0.038 1.00 74.11 C ATOM 758 CG1 ILE A 46 -4.660 -9.580 0.698 1.00 23.35 C ATOM 759 CG2 ILE A 46 -5.976 -9.255 -1.479 1.00 14.53 C ATOM 760 CD1 ILE A 46 -3.672 -10.548 0.093 1.00 43.13 C ATOM 0 H ILE A 46 -6.832 -9.944 2.348 1.00 23.02 H new ATOM 0 HA ILE A 46 -6.505 -7.573 0.864 1.00 51.44 H new ATOM 0 HB ILE A 46 -6.524 -10.545 0.116 1.00 74.11 H new ATOM 0 HG12 ILE A 46 -4.237 -8.577 0.645 1.00 23.35 H new ATOM 0 HG13 ILE A 46 -4.777 -9.821 1.755 1.00 23.35 H new ATOM 0 HG21 ILE A 46 -5.322 -9.985 -1.955 1.00 14.53 H new ATOM 0 HG22 ILE A 46 -6.969 -9.313 -1.924 1.00 14.53 H new ATOM 0 HG23 ILE A 46 -5.570 -8.254 -1.626 1.00 14.53 H new ATOM 0 HD11 ILE A 46 -2.724 -10.482 0.627 1.00 43.13 H new ATOM 0 HD12 ILE A 46 -4.063 -11.563 0.171 1.00 43.13 H new ATOM 0 HD13 ILE A 46 -3.515 -10.299 -0.956 1.00 43.13 H new ATOM 772 N GLN A 47 -9.262 -9.337 0.153 1.00 61.22 N ATOM 773 CA GLN A 47 -10.551 -9.313 -0.589 1.00 53.52 C ATOM 774 C GLN A 47 -11.448 -8.158 -0.110 1.00 42.33 C ATOM 775 O GLN A 47 -12.144 -7.539 -0.919 1.00 65.24 O ATOM 776 CB GLN A 47 -11.338 -10.650 -0.465 1.00 21.02 C ATOM 777 CG GLN A 47 -10.564 -11.926 -0.867 1.00 4.43 C ATOM 778 CD GLN A 47 -9.805 -11.810 -2.195 1.00 32.24 C ATOM 779 OE1 GLN A 47 -10.339 -12.087 -3.271 1.00 52.15 O ATOM 780 NE2 GLN A 47 -8.543 -11.425 -2.118 1.00 73.23 N ATOM 0 H GLN A 47 -9.132 -10.170 0.727 1.00 61.22 H new ATOM 0 HA GLN A 47 -10.290 -9.166 -1.637 1.00 53.52 H new ATOM 0 HB2 GLN A 47 -11.670 -10.760 0.567 1.00 21.02 H new ATOM 0 HB3 GLN A 47 -12.233 -10.581 -1.083 1.00 21.02 H new ATOM 0 HG2 GLN A 47 -9.855 -12.171 -0.076 1.00 4.43 H new ATOM 0 HG3 GLN A 47 -11.266 -12.757 -0.934 1.00 4.43 H new ATOM 0 HE21 GLN A 47 -8.132 -11.203 -1.211 1.00 73.23 H new ATOM 0 HE22 GLN A 47 -7.980 -11.350 -2.965 1.00 73.23 H new ATOM 789 N LYS A 48 -11.422 -7.898 1.216 1.00 64.01 N ATOM 790 CA LYS A 48 -12.183 -6.801 1.841 1.00 22.42 C ATOM 791 C LYS A 48 -11.695 -5.436 1.346 1.00 62.43 C ATOM 792 O LYS A 48 -12.506 -4.580 0.992 1.00 12.43 O ATOM 793 CB LYS A 48 -12.081 -6.867 3.386 1.00 0.42 C ATOM 794 CG LYS A 48 -12.684 -8.139 4.006 1.00 10.03 C ATOM 795 CD LYS A 48 -14.185 -8.322 3.687 1.00 44.21 C ATOM 796 CE LYS A 48 -14.734 -9.656 4.219 1.00 21.41 C ATOM 797 NZ LYS A 48 -13.950 -10.816 3.715 1.00 61.21 N ATOM 0 H LYS A 48 -10.873 -8.444 1.880 1.00 64.01 H new ATOM 0 HA LYS A 48 -13.227 -6.922 1.551 1.00 22.42 H new ATOM 0 HB2 LYS A 48 -11.031 -6.800 3.672 1.00 0.42 H new ATOM 0 HB3 LYS A 48 -12.583 -5.997 3.809 1.00 0.42 H new ATOM 0 HG2 LYS A 48 -12.134 -9.007 3.643 1.00 10.03 H new ATOM 0 HG3 LYS A 48 -12.551 -8.106 5.087 1.00 10.03 H new ATOM 0 HD2 LYS A 48 -14.750 -7.499 4.123 1.00 44.21 H new ATOM 0 HD3 LYS A 48 -14.334 -8.274 2.608 1.00 44.21 H new ATOM 0 HE2 LYS A 48 -14.713 -9.649 5.309 1.00 21.41 H new ATOM 0 HE3 LYS A 48 -15.777 -9.765 3.921 1.00 21.41 H new ATOM 0 HZ1 LYS A 48 -14.499 -11.689 3.847 1.00 61.21 H new ATOM 0 HZ2 LYS A 48 -13.746 -10.684 2.704 1.00 61.21 H new ATOM 0 HZ3 LYS A 48 -13.056 -10.886 4.242 1.00 61.21 H new ATOM 811 N LEU A 49 -10.360 -5.261 1.319 1.00 44.25 N ATOM 812 CA LEU A 49 -9.736 -4.006 0.863 1.00 75.11 C ATOM 813 C LEU A 49 -9.913 -3.790 -0.659 1.00 61.35 C ATOM 814 O LEU A 49 -10.014 -2.649 -1.107 1.00 61.32 O ATOM 815 CB LEU A 49 -8.240 -3.980 1.232 1.00 51.51 C ATOM 816 CG LEU A 49 -7.893 -3.910 2.744 1.00 50.44 C ATOM 817 CD1 LEU A 49 -6.381 -4.093 2.956 1.00 34.32 C ATOM 818 CD2 LEU A 49 -8.389 -2.594 3.372 1.00 43.31 C ATOM 0 H LEU A 49 -9.692 -5.975 1.609 1.00 44.25 H new ATOM 0 HA LEU A 49 -10.245 -3.189 1.374 1.00 75.11 H new ATOM 0 HB2 LEU A 49 -7.772 -4.873 0.817 1.00 51.51 H new ATOM 0 HB3 LEU A 49 -7.783 -3.122 0.739 1.00 51.51 H new ATOM 0 HG LEU A 49 -8.410 -4.725 3.250 1.00 50.44 H new ATOM 0 HD11 LEU A 49 -6.154 -4.041 4.021 1.00 34.32 H new ATOM 0 HD12 LEU A 49 -6.074 -5.063 2.566 1.00 34.32 H new ATOM 0 HD13 LEU A 49 -5.842 -3.304 2.431 1.00 34.32 H new ATOM 0 HD21 LEU A 49 -8.131 -2.576 4.431 1.00 43.31 H new ATOM 0 HD22 LEU A 49 -7.917 -1.750 2.869 1.00 43.31 H new ATOM 0 HD23 LEU A 49 -9.471 -2.523 3.261 1.00 43.31 H new ATOM 830 N LYS A 50 -9.958 -4.885 -1.450 1.00 65.21 N ATOM 831 CA LYS A 50 -10.197 -4.807 -2.908 1.00 41.15 C ATOM 832 C LYS A 50 -11.662 -4.425 -3.186 1.00 5.30 C ATOM 833 O LYS A 50 -11.950 -3.695 -4.141 1.00 55.31 O ATOM 834 CB LYS A 50 -9.811 -6.148 -3.604 1.00 14.41 C ATOM 835 CG LYS A 50 -8.284 -6.445 -3.593 1.00 31.25 C ATOM 836 CD LYS A 50 -7.916 -7.805 -4.234 1.00 53.13 C ATOM 837 CE LYS A 50 -8.270 -7.893 -5.729 1.00 3.40 C ATOM 838 NZ LYS A 50 -7.562 -6.867 -6.549 1.00 54.50 N ATOM 0 H LYS A 50 -9.832 -5.835 -1.102 1.00 65.21 H new ATOM 0 HA LYS A 50 -9.561 -4.028 -3.328 1.00 41.15 H new ATOM 0 HB2 LYS A 50 -10.334 -6.967 -3.110 1.00 14.41 H new ATOM 0 HB3 LYS A 50 -10.159 -6.124 -4.637 1.00 14.41 H new ATOM 0 HG2 LYS A 50 -7.763 -5.649 -4.125 1.00 31.25 H new ATOM 0 HG3 LYS A 50 -7.926 -6.428 -2.564 1.00 31.25 H new ATOM 0 HD2 LYS A 50 -6.847 -7.979 -4.111 1.00 53.13 H new ATOM 0 HD3 LYS A 50 -8.432 -8.602 -3.699 1.00 53.13 H new ATOM 0 HE2 LYS A 50 -8.018 -8.886 -6.100 1.00 3.40 H new ATOM 0 HE3 LYS A 50 -9.346 -7.771 -5.851 1.00 3.40 H new ATOM 0 HZ1 LYS A 50 -7.658 -7.102 -7.558 1.00 54.50 H new ATOM 0 HZ2 LYS A 50 -7.980 -5.931 -6.371 1.00 54.50 H new ATOM 0 HZ3 LYS A 50 -6.555 -6.851 -6.291 1.00 54.50 H new ATOM 852 N SER A 51 -12.572 -4.919 -2.328 1.00 30.42 N ATOM 853 CA SER A 51 -13.990 -4.520 -2.327 1.00 35.24 C ATOM 854 C SER A 51 -14.160 -3.035 -1.888 1.00 23.04 C ATOM 855 O SER A 51 -15.080 -2.343 -2.346 1.00 40.41 O ATOM 856 CB SER A 51 -14.794 -5.472 -1.412 1.00 33.10 C ATOM 857 OG SER A 51 -16.177 -5.190 -1.446 1.00 71.21 O ATOM 0 H SER A 51 -12.343 -5.609 -1.613 1.00 30.42 H new ATOM 0 HA SER A 51 -14.378 -4.597 -3.343 1.00 35.24 H new ATOM 0 HB2 SER A 51 -14.626 -6.503 -1.723 1.00 33.10 H new ATOM 0 HB3 SER A 51 -14.431 -5.385 -0.388 1.00 33.10 H new ATOM 0 HG SER A 51 -16.652 -5.813 -0.857 1.00 71.21 H new ATOM 863 N GLN A 52 -13.258 -2.565 -0.999 1.00 62.03 N ATOM 864 CA GLN A 52 -13.159 -1.133 -0.622 1.00 13.33 C ATOM 865 C GLN A 52 -12.621 -0.281 -1.791 1.00 72.43 C ATOM 866 O GLN A 52 -12.801 0.937 -1.809 1.00 64.42 O ATOM 867 CB GLN A 52 -12.252 -0.935 0.619 1.00 62.05 C ATOM 868 CG GLN A 52 -12.826 -1.465 1.949 1.00 40.41 C ATOM 869 CD GLN A 52 -11.856 -1.344 3.129 1.00 3.44 C ATOM 870 OE1 GLN A 52 -11.010 -0.325 3.133 1.00 30.32 O flip ATOM 871 NE2 GLN A 52 -11.883 -2.154 4.051 1.00 34.50 N flip ATOM 0 H GLN A 52 -12.581 -3.161 -0.524 1.00 62.03 H new ATOM 0 HA GLN A 52 -14.168 -0.801 -0.377 1.00 13.33 H new ATOM 0 HB2 GLN A 52 -11.298 -1.428 0.433 1.00 62.05 H new ATOM 0 HB3 GLN A 52 -12.045 0.129 0.731 1.00 62.05 H new ATOM 0 HG2 GLN A 52 -13.740 -0.919 2.184 1.00 40.41 H new ATOM 0 HG3 GLN A 52 -13.103 -2.512 1.824 1.00 40.41 H new ATOM 0 HE21 GLN A 52 -12.543 -2.932 4.028 1.00 34.50 H new ATOM 0 HE22 GLN A 52 -11.246 -2.049 4.841 1.00 34.50 H new ATOM 880 N GLY A 53 -11.966 -0.942 -2.760 1.00 31.45 N ATOM 881 CA GLY A 53 -11.405 -0.277 -3.931 1.00 64.10 C ATOM 882 C GLY A 53 -9.948 0.095 -3.722 1.00 45.52 C ATOM 883 O GLY A 53 -9.563 1.243 -3.918 1.00 63.53 O ATOM 0 H GLY A 53 -11.815 -1.951 -2.747 1.00 31.45 H new ATOM 0 HA2 GLY A 53 -11.493 -0.932 -4.798 1.00 64.10 H new ATOM 0 HA3 GLY A 53 -11.982 0.621 -4.150 1.00 64.10 H new ATOM 887 N PHE A 54 -9.152 -0.884 -3.264 1.00 13.04 N ATOM 888 CA PHE A 54 -7.678 -0.785 -3.169 1.00 4.04 C ATOM 889 C PHE A 54 -7.080 -1.971 -3.926 1.00 1.45 C ATOM 890 O PHE A 54 -7.582 -3.094 -3.783 1.00 25.33 O ATOM 891 CB PHE A 54 -7.191 -0.837 -1.689 1.00 51.14 C ATOM 892 CG PHE A 54 -7.673 0.311 -0.813 1.00 61.24 C ATOM 893 CD1 PHE A 54 -7.037 1.549 -0.849 1.00 13.52 C ATOM 894 CD2 PHE A 54 -8.764 0.158 0.048 1.00 52.24 C ATOM 895 CE1 PHE A 54 -7.474 2.587 -0.057 1.00 5.11 C ATOM 896 CE2 PHE A 54 -9.192 1.203 0.840 1.00 23.42 C ATOM 897 CZ PHE A 54 -8.550 2.415 0.783 1.00 30.00 C ATOM 0 H PHE A 54 -9.515 -1.782 -2.943 1.00 13.04 H new ATOM 0 HA PHE A 54 -7.360 0.168 -3.593 1.00 4.04 H new ATOM 0 HB2 PHE A 54 -7.522 -1.776 -1.246 1.00 51.14 H new ATOM 0 HB3 PHE A 54 -6.101 -0.848 -1.681 1.00 51.14 H new ATOM 0 HD1 PHE A 54 -6.192 1.697 -1.505 1.00 13.52 H new ATOM 0 HD2 PHE A 54 -9.278 -0.791 0.093 1.00 52.24 H new ATOM 0 HE1 PHE A 54 -6.970 3.541 -0.095 1.00 5.11 H new ATOM 0 HE2 PHE A 54 -10.032 1.068 1.505 1.00 23.42 H new ATOM 0 HZ PHE A 54 -8.890 3.235 1.398 1.00 30.00 H new ATOM 907 N GLU A 55 -6.028 -1.748 -4.743 1.00 75.14 N ATOM 908 CA GLU A 55 -5.320 -2.862 -5.390 1.00 53.34 C ATOM 909 C GLU A 55 -4.341 -3.478 -4.383 1.00 43.01 C ATOM 910 O GLU A 55 -3.279 -2.920 -4.093 1.00 72.41 O ATOM 911 CB GLU A 55 -4.604 -2.459 -6.703 1.00 35.40 C ATOM 912 CG GLU A 55 -3.892 -3.646 -7.420 1.00 15.41 C ATOM 913 CD GLU A 55 -4.835 -4.839 -7.729 1.00 52.13 C ATOM 914 OE1 GLU A 55 -5.476 -4.840 -8.796 1.00 33.34 O ATOM 915 OE2 GLU A 55 -4.941 -5.782 -6.902 1.00 23.30 O ATOM 0 H GLU A 55 -5.659 -0.823 -4.964 1.00 75.14 H new ATOM 0 HA GLU A 55 -6.063 -3.602 -5.689 1.00 53.34 H new ATOM 0 HB2 GLU A 55 -5.333 -2.020 -7.384 1.00 35.40 H new ATOM 0 HB3 GLU A 55 -3.868 -1.686 -6.482 1.00 35.40 H new ATOM 0 HG2 GLU A 55 -3.455 -3.288 -8.352 1.00 15.41 H new ATOM 0 HG3 GLU A 55 -3.069 -3.996 -6.796 1.00 15.41 H new ATOM 922 N VAL A 56 -4.749 -4.620 -3.825 1.00 13.45 N ATOM 923 CA VAL A 56 -4.033 -5.296 -2.741 1.00 65.30 C ATOM 924 C VAL A 56 -3.478 -6.625 -3.241 1.00 34.11 C ATOM 925 O VAL A 56 -4.202 -7.392 -3.880 1.00 14.34 O ATOM 926 CB VAL A 56 -4.971 -5.538 -1.509 1.00 64.13 C ATOM 927 CG1 VAL A 56 -4.188 -6.103 -0.308 1.00 65.33 C ATOM 928 CG2 VAL A 56 -5.703 -4.245 -1.130 1.00 51.32 C ATOM 0 H VAL A 56 -5.596 -5.107 -4.117 1.00 13.45 H new ATOM 0 HA VAL A 56 -3.212 -4.655 -2.421 1.00 65.30 H new ATOM 0 HB VAL A 56 -5.714 -6.283 -1.793 1.00 64.13 H new ATOM 0 HG11 VAL A 56 -4.868 -6.259 0.529 1.00 65.33 H new ATOM 0 HG12 VAL A 56 -3.731 -7.053 -0.586 1.00 65.33 H new ATOM 0 HG13 VAL A 56 -3.410 -5.397 -0.016 1.00 65.33 H new ATOM 0 HG21 VAL A 56 -6.350 -4.431 -0.273 1.00 51.32 H new ATOM 0 HG22 VAL A 56 -4.974 -3.476 -0.874 1.00 51.32 H new ATOM 0 HG23 VAL A 56 -6.306 -3.908 -1.973 1.00 51.32 H new ATOM 938 N ARG A 57 -2.194 -6.888 -2.946 1.00 34.22 N ATOM 939 CA ARG A 57 -1.464 -8.076 -3.419 1.00 23.25 C ATOM 940 C ARG A 57 -0.837 -8.770 -2.195 1.00 51.23 C ATOM 941 O ARG A 57 -0.401 -8.084 -1.259 1.00 74.33 O ATOM 942 CB ARG A 57 -0.329 -7.672 -4.424 1.00 41.03 C ATOM 943 CG ARG A 57 -0.698 -6.622 -5.501 1.00 22.51 C ATOM 944 CD ARG A 57 -1.898 -7.004 -6.383 1.00 51.03 C ATOM 945 NE ARG A 57 -1.675 -8.223 -7.176 1.00 62.11 N ATOM 946 CZ ARG A 57 -2.636 -8.881 -7.862 1.00 64.22 C ATOM 947 NH1 ARG A 57 -3.894 -8.453 -7.855 1.00 70.20 N ATOM 948 NH2 ARG A 57 -2.317 -9.961 -8.562 1.00 60.04 N ATOM 0 H ARG A 57 -1.626 -6.272 -2.364 1.00 34.22 H new ATOM 0 HA ARG A 57 -2.154 -8.743 -3.936 1.00 23.25 H new ATOM 0 HB2 ARG A 57 0.514 -7.289 -3.849 1.00 41.03 H new ATOM 0 HB3 ARG A 57 0.014 -8.574 -4.931 1.00 41.03 H new ATOM 0 HG2 ARG A 57 -0.914 -5.675 -5.007 1.00 22.51 H new ATOM 0 HG3 ARG A 57 0.169 -6.457 -6.141 1.00 22.51 H new ATOM 0 HD2 ARG A 57 -2.774 -7.146 -5.750 1.00 51.03 H new ATOM 0 HD3 ARG A 57 -2.122 -6.177 -7.057 1.00 51.03 H new ATOM 0 HE ARG A 57 -0.727 -8.599 -7.211 1.00 62.11 H new ATOM 0 HH11 ARG A 57 -4.145 -7.617 -7.327 1.00 70.20 H new ATOM 0 HH12 ARG A 57 -4.608 -8.960 -8.378 1.00 70.20 H new ATOM 0 HH21 ARG A 57 -1.352 -10.290 -8.580 1.00 60.04 H new ATOM 0 HH22 ARG A 57 -3.037 -10.463 -9.082 1.00 60.04 H new ATOM 962 N LYS A 58 -0.793 -10.113 -2.184 1.00 75.41 N ATOM 963 CA LYS A 58 -0.015 -10.868 -1.188 1.00 55.14 C ATOM 964 C LYS A 58 1.419 -10.985 -1.711 1.00 0.23 C ATOM 965 O LYS A 58 1.632 -11.323 -2.885 1.00 75.05 O ATOM 966 CB LYS A 58 -0.626 -12.277 -0.915 1.00 22.10 C ATOM 967 CG LYS A 58 0.102 -13.100 0.175 1.00 42.33 C ATOM 968 CD LYS A 58 -0.668 -14.376 0.598 1.00 40.10 C ATOM 969 CE LYS A 58 -0.853 -15.399 -0.535 1.00 72.33 C ATOM 970 NZ LYS A 58 0.442 -15.911 -1.044 1.00 11.14 N ATOM 0 H LYS A 58 -1.289 -10.699 -2.856 1.00 75.41 H new ATOM 0 HA LYS A 58 -0.034 -10.340 -0.235 1.00 55.14 H new ATOM 0 HB2 LYS A 58 -1.669 -12.155 -0.622 1.00 22.10 H new ATOM 0 HB3 LYS A 58 -0.620 -12.846 -1.845 1.00 22.10 H new ATOM 0 HG2 LYS A 58 1.088 -13.384 -0.193 1.00 42.33 H new ATOM 0 HG3 LYS A 58 0.258 -12.471 1.052 1.00 42.33 H new ATOM 0 HD2 LYS A 58 -0.136 -14.853 1.421 1.00 40.10 H new ATOM 0 HD3 LYS A 58 -1.648 -14.088 0.977 1.00 40.10 H new ATOM 0 HE2 LYS A 58 -1.455 -16.233 -0.174 1.00 72.33 H new ATOM 0 HE3 LYS A 58 -1.406 -14.937 -1.353 1.00 72.33 H new ATOM 0 HZ1 LYS A 58 0.271 -16.558 -1.840 1.00 11.14 H new ATOM 0 HZ2 LYS A 58 1.028 -15.114 -1.366 1.00 11.14 H new ATOM 0 HZ3 LYS A 58 0.937 -16.420 -0.284 1.00 11.14 H new ATOM 984 N VAL A 59 2.393 -10.694 -0.850 1.00 25.55 N ATOM 985 CA VAL A 59 3.822 -10.708 -1.209 1.00 20.52 C ATOM 986 C VAL A 59 4.546 -11.813 -0.438 1.00 34.40 C ATOM 987 O VAL A 59 4.114 -12.216 0.651 1.00 4.43 O ATOM 988 CB VAL A 59 4.506 -9.301 -0.975 1.00 64.45 C ATOM 989 CG1 VAL A 59 4.133 -8.317 -2.107 1.00 12.31 C ATOM 990 CG2 VAL A 59 4.134 -8.711 0.404 1.00 31.40 C ATOM 0 H VAL A 59 2.219 -10.440 0.122 1.00 25.55 H new ATOM 0 HA VAL A 59 3.898 -10.918 -2.276 1.00 20.52 H new ATOM 0 HB VAL A 59 5.585 -9.453 -0.989 1.00 64.45 H new ATOM 0 HG11 VAL A 59 4.614 -7.356 -1.927 1.00 12.31 H new ATOM 0 HG12 VAL A 59 4.470 -8.718 -3.063 1.00 12.31 H new ATOM 0 HG13 VAL A 59 3.052 -8.183 -2.131 1.00 12.31 H new ATOM 0 HG21 VAL A 59 4.622 -7.744 0.530 1.00 31.40 H new ATOM 0 HG22 VAL A 59 3.053 -8.583 0.465 1.00 31.40 H new ATOM 0 HG23 VAL A 59 4.464 -9.389 1.191 1.00 31.40 H new ATOM 1000 N LYS A 60 5.632 -12.306 -1.051 1.00 2.04 N ATOM 1001 CA LYS A 60 6.410 -13.446 -0.547 1.00 3.45 C ATOM 1002 C LYS A 60 7.238 -13.042 0.685 1.00 51.10 C ATOM 1003 O LYS A 60 7.288 -13.777 1.678 1.00 15.24 O ATOM 1004 CB LYS A 60 7.347 -13.979 -1.673 1.00 11.43 C ATOM 1005 CG LYS A 60 6.639 -14.239 -3.024 1.00 50.24 C ATOM 1006 CD LYS A 60 7.621 -14.636 -4.151 1.00 24.13 C ATOM 1007 CE LYS A 60 6.940 -14.658 -5.529 1.00 44.44 C ATOM 1008 NZ LYS A 60 6.426 -13.314 -5.922 1.00 15.51 N ATOM 0 H LYS A 60 5.999 -11.919 -1.921 1.00 2.04 H new ATOM 0 HA LYS A 60 5.720 -14.235 -0.248 1.00 3.45 H new ATOM 0 HB2 LYS A 60 8.151 -13.260 -1.830 1.00 11.43 H new ATOM 0 HB3 LYS A 60 7.810 -14.906 -1.335 1.00 11.43 H new ATOM 0 HG2 LYS A 60 5.902 -15.031 -2.896 1.00 50.24 H new ATOM 0 HG3 LYS A 60 6.095 -13.343 -3.322 1.00 50.24 H new ATOM 0 HD2 LYS A 60 8.454 -13.933 -4.170 1.00 24.13 H new ATOM 0 HD3 LYS A 60 8.039 -15.620 -3.938 1.00 24.13 H new ATOM 0 HE2 LYS A 60 7.650 -15.007 -6.278 1.00 44.44 H new ATOM 0 HE3 LYS A 60 6.116 -15.371 -5.514 1.00 44.44 H new ATOM 0 HZ1 LYS A 60 6.417 -13.236 -6.959 1.00 15.51 H new ATOM 0 HZ2 LYS A 60 5.460 -13.191 -5.557 1.00 15.51 H new ATOM 0 HZ3 LYS A 60 7.043 -12.577 -5.525 1.00 15.51 H new ATOM 1022 N ASP A 61 7.875 -11.856 0.585 1.00 2.21 N ATOM 1023 CA ASP A 61 8.817 -11.325 1.599 1.00 5.43 C ATOM 1024 C ASP A 61 9.236 -9.875 1.240 1.00 35.03 C ATOM 1025 O ASP A 61 8.702 -9.302 0.291 1.00 54.43 O ATOM 1026 CB ASP A 61 10.054 -12.262 1.750 1.00 35.11 C ATOM 1027 CG ASP A 61 10.768 -12.552 0.416 1.00 63.23 C ATOM 1028 OD1 ASP A 61 11.602 -11.734 -0.005 1.00 11.45 O ATOM 1029 OD2 ASP A 61 10.493 -13.605 -0.213 1.00 5.34 O ATOM 0 H ASP A 61 7.749 -11.231 -0.211 1.00 2.21 H new ATOM 0 HA ASP A 61 8.312 -11.296 2.565 1.00 5.43 H new ATOM 0 HB2 ASP A 61 10.763 -11.807 2.442 1.00 35.11 H new ATOM 0 HB3 ASP A 61 9.735 -13.204 2.195 1.00 35.11 H new ATOM 1034 N ASP A 62 10.168 -9.273 2.021 1.00 23.24 N ATOM 1035 CA ASP A 62 10.626 -7.865 1.818 1.00 51.52 C ATOM 1036 C ASP A 62 11.432 -7.669 0.521 1.00 1.42 C ATOM 1037 O ASP A 62 11.268 -6.646 -0.150 1.00 72.32 O ATOM 1038 CB ASP A 62 11.458 -7.367 3.033 1.00 34.23 C ATOM 1039 CG ASP A 62 10.611 -7.218 4.307 1.00 3.42 C ATOM 1040 OD1 ASP A 62 9.890 -6.204 4.430 1.00 63.41 O ATOM 1041 OD2 ASP A 62 10.637 -8.123 5.177 1.00 73.53 O ATOM 0 H ASP A 62 10.623 -9.741 2.805 1.00 23.24 H new ATOM 0 HA ASP A 62 9.718 -7.268 1.728 1.00 51.52 H new ATOM 0 HB2 ASP A 62 12.273 -8.066 3.222 1.00 34.23 H new ATOM 0 HB3 ASP A 62 11.912 -6.407 2.789 1.00 34.23 H new ATOM 1046 N ASP A 63 12.357 -8.611 0.221 1.00 4.31 N ATOM 1047 CA ASP A 63 13.068 -8.651 -1.095 1.00 41.14 C ATOM 1048 C ASP A 63 12.055 -8.587 -2.259 1.00 33.03 C ATOM 1049 O ASP A 63 12.290 -7.898 -3.256 1.00 4.32 O ATOM 1050 CB ASP A 63 13.965 -9.918 -1.264 1.00 13.11 C ATOM 1051 CG ASP A 63 15.156 -9.982 -0.292 1.00 24.02 C ATOM 1052 OD1 ASP A 63 15.001 -10.487 0.839 1.00 52.31 O ATOM 1053 OD2 ASP A 63 16.259 -9.518 -0.652 1.00 41.13 O ATOM 0 H ASP A 63 12.633 -9.353 0.864 1.00 4.31 H new ATOM 0 HA ASP A 63 13.721 -7.779 -1.116 1.00 41.14 H new ATOM 0 HB2 ASP A 63 13.349 -10.807 -1.125 1.00 13.11 H new ATOM 0 HB3 ASP A 63 14.343 -9.948 -2.286 1.00 13.11 H new ATOM 1058 N ASP A 64 10.906 -9.269 -2.073 1.00 43.24 N ATOM 1059 CA ASP A 64 9.815 -9.312 -3.061 1.00 12.02 C ATOM 1060 C ASP A 64 9.135 -7.926 -3.148 1.00 34.30 C ATOM 1061 O ASP A 64 8.846 -7.449 -4.238 1.00 40.35 O ATOM 1062 CB ASP A 64 8.791 -10.423 -2.681 1.00 72.34 C ATOM 1063 CG ASP A 64 7.731 -10.699 -3.761 1.00 15.34 C ATOM 1064 OD1 ASP A 64 8.108 -11.078 -4.887 1.00 63.01 O ATOM 1065 OD2 ASP A 64 6.522 -10.592 -3.477 1.00 52.14 O ATOM 0 H ASP A 64 10.711 -9.807 -1.229 1.00 43.24 H new ATOM 0 HA ASP A 64 10.222 -9.555 -4.043 1.00 12.02 H new ATOM 0 HB2 ASP A 64 9.333 -11.346 -2.475 1.00 72.34 H new ATOM 0 HB3 ASP A 64 8.287 -10.137 -1.758 1.00 72.34 H new ATOM 1070 N ILE A 65 8.954 -7.276 -1.975 1.00 44.14 N ATOM 1071 CA ILE A 65 8.331 -5.929 -1.855 1.00 35.41 C ATOM 1072 C ILE A 65 9.149 -4.839 -2.594 1.00 74.40 C ATOM 1073 O ILE A 65 8.591 -4.072 -3.377 1.00 25.14 O ATOM 1074 CB ILE A 65 8.150 -5.514 -0.338 1.00 54.44 C ATOM 1075 CG1 ILE A 65 7.139 -6.468 0.372 1.00 24.52 C ATOM 1076 CG2 ILE A 65 7.723 -4.027 -0.180 1.00 15.34 C ATOM 1077 CD1 ILE A 65 6.997 -6.250 1.867 1.00 3.22 C ATOM 0 H ILE A 65 9.236 -7.670 -1.078 1.00 44.14 H new ATOM 0 HA ILE A 65 7.351 -6.000 -2.327 1.00 35.41 H new ATOM 0 HB ILE A 65 9.122 -5.614 0.145 1.00 54.44 H new ATOM 0 HG12 ILE A 65 6.160 -6.347 -0.093 1.00 24.52 H new ATOM 0 HG13 ILE A 65 7.450 -7.498 0.198 1.00 24.52 H new ATOM 0 HG21 ILE A 65 7.612 -3.791 0.878 1.00 15.34 H new ATOM 0 HG22 ILE A 65 8.484 -3.381 -0.618 1.00 15.34 H new ATOM 0 HG23 ILE A 65 6.773 -3.865 -0.690 1.00 15.34 H new ATOM 0 HD11 ILE A 65 6.274 -6.959 2.271 1.00 3.22 H new ATOM 0 HD12 ILE A 65 7.962 -6.402 2.350 1.00 3.22 H new ATOM 0 HD13 ILE A 65 6.653 -5.233 2.055 1.00 3.22 H new ATOM 1089 N ASP A 66 10.461 -4.767 -2.311 1.00 23.45 N ATOM 1090 CA ASP A 66 11.362 -3.737 -2.879 1.00 24.04 C ATOM 1091 C ASP A 66 11.337 -3.754 -4.423 1.00 54.54 C ATOM 1092 O ASP A 66 11.070 -2.728 -5.066 1.00 61.12 O ATOM 1093 CB ASP A 66 12.807 -3.948 -2.343 1.00 52.13 C ATOM 1094 CG ASP A 66 13.801 -2.871 -2.836 1.00 72.43 C ATOM 1095 OD1 ASP A 66 13.888 -1.796 -2.206 1.00 43.44 O ATOM 1096 OD2 ASP A 66 14.496 -3.099 -3.851 1.00 3.23 O ATOM 0 H ASP A 66 10.931 -5.419 -1.683 1.00 23.45 H new ATOM 0 HA ASP A 66 11.007 -2.756 -2.562 1.00 24.04 H new ATOM 0 HB2 ASP A 66 12.788 -3.944 -1.253 1.00 52.13 H new ATOM 0 HB3 ASP A 66 13.163 -4.931 -2.652 1.00 52.13 H new ATOM 1101 N LYS A 67 11.621 -4.938 -4.988 1.00 3.33 N ATOM 1102 CA LYS A 67 11.559 -5.176 -6.443 1.00 24.34 C ATOM 1103 C LYS A 67 10.115 -5.078 -7.008 1.00 2.31 C ATOM 1104 O LYS A 67 9.955 -4.860 -8.216 1.00 43.24 O ATOM 1105 CB LYS A 67 12.242 -6.529 -6.827 1.00 14.24 C ATOM 1106 CG LYS A 67 13.743 -6.420 -7.223 1.00 23.12 C ATOM 1107 CD LYS A 67 14.683 -5.958 -6.081 1.00 50.31 C ATOM 1108 CE LYS A 67 14.807 -6.987 -4.945 1.00 42.10 C ATOM 1109 NZ LYS A 67 15.278 -8.320 -5.422 1.00 71.02 N ATOM 0 H LYS A 67 11.900 -5.759 -4.451 1.00 3.33 H new ATOM 0 HA LYS A 67 12.124 -4.372 -6.915 1.00 24.34 H new ATOM 0 HB2 LYS A 67 12.153 -7.215 -5.985 1.00 14.24 H new ATOM 0 HB3 LYS A 67 11.694 -6.972 -7.658 1.00 14.24 H new ATOM 0 HG2 LYS A 67 14.081 -7.392 -7.583 1.00 23.12 H new ATOM 0 HG3 LYS A 67 13.835 -5.722 -8.055 1.00 23.12 H new ATOM 0 HD2 LYS A 67 15.673 -5.759 -6.492 1.00 50.31 H new ATOM 0 HD3 LYS A 67 14.313 -5.018 -5.672 1.00 50.31 H new ATOM 0 HE2 LYS A 67 15.500 -6.610 -4.193 1.00 42.10 H new ATOM 0 HE3 LYS A 67 13.839 -7.102 -4.457 1.00 42.10 H new ATOM 0 HZ1 LYS A 67 15.522 -8.915 -4.605 1.00 71.02 H new ATOM 0 HZ2 LYS A 67 14.523 -8.779 -5.972 1.00 71.02 H new ATOM 0 HZ3 LYS A 67 16.118 -8.197 -6.023 1.00 71.02 H new ATOM 1123 N TRP A 68 9.078 -5.237 -6.145 1.00 71.33 N ATOM 1124 CA TRP A 68 7.655 -5.039 -6.537 1.00 31.50 C ATOM 1125 C TRP A 68 7.413 -3.568 -6.927 1.00 2.00 C ATOM 1126 O TRP A 68 6.649 -3.266 -7.844 1.00 30.55 O ATOM 1127 CB TRP A 68 6.687 -5.463 -5.377 1.00 74.24 C ATOM 1128 CG TRP A 68 5.248 -5.615 -5.786 1.00 23.14 C ATOM 1129 CD1 TRP A 68 4.650 -6.761 -6.198 1.00 13.35 C ATOM 1130 CD2 TRP A 68 4.235 -4.601 -5.811 1.00 22.41 C ATOM 1131 NE1 TRP A 68 3.340 -6.519 -6.516 1.00 0.32 N ATOM 1132 CE2 TRP A 68 3.061 -5.201 -6.284 1.00 2.13 C ATOM 1133 CE3 TRP A 68 4.210 -3.244 -5.487 1.00 31.14 C ATOM 1134 CZ2 TRP A 68 1.880 -4.493 -6.448 1.00 62.23 C ATOM 1135 CZ3 TRP A 68 3.037 -2.545 -5.642 1.00 54.15 C ATOM 1136 CH2 TRP A 68 1.885 -3.172 -6.121 1.00 13.13 C ATOM 0 H TRP A 68 9.201 -5.503 -5.168 1.00 71.33 H new ATOM 0 HA TRP A 68 7.446 -5.673 -7.399 1.00 31.50 H new ATOM 0 HB2 TRP A 68 7.034 -6.408 -4.959 1.00 74.24 H new ATOM 0 HB3 TRP A 68 6.748 -4.721 -4.581 1.00 74.24 H new ATOM 0 HD1 TRP A 68 5.136 -7.723 -6.265 1.00 13.35 H new ATOM 0 HE1 TRP A 68 2.679 -7.211 -6.869 1.00 0.32 H new ATOM 0 HE3 TRP A 68 5.098 -2.751 -5.120 1.00 31.14 H new ATOM 0 HZ2 TRP A 68 0.988 -4.973 -6.822 1.00 62.23 H new ATOM 0 HZ3 TRP A 68 3.006 -1.495 -5.390 1.00 54.15 H new ATOM 0 HH2 TRP A 68 0.978 -2.596 -6.234 1.00 13.13 H new ATOM 1147 N ILE A 69 8.084 -2.668 -6.206 1.00 44.13 N ATOM 1148 CA ILE A 69 8.053 -1.217 -6.471 1.00 12.33 C ATOM 1149 C ILE A 69 8.933 -0.886 -7.696 1.00 73.53 C ATOM 1150 O ILE A 69 8.534 -0.099 -8.570 1.00 43.14 O ATOM 1151 CB ILE A 69 8.517 -0.404 -5.185 1.00 30.41 C ATOM 1152 CG1 ILE A 69 7.341 -0.240 -4.162 1.00 13.54 C ATOM 1153 CG2 ILE A 69 9.146 0.971 -5.522 1.00 44.54 C ATOM 1154 CD1 ILE A 69 6.876 -1.514 -3.485 1.00 41.42 C ATOM 0 H ILE A 69 8.672 -2.922 -5.412 1.00 44.13 H new ATOM 0 HA ILE A 69 7.030 -0.918 -6.697 1.00 12.33 H new ATOM 0 HB ILE A 69 9.304 -1.000 -4.723 1.00 30.41 H new ATOM 0 HG12 ILE A 69 7.650 0.467 -3.392 1.00 13.54 H new ATOM 0 HG13 ILE A 69 6.492 0.205 -4.681 1.00 13.54 H new ATOM 0 HG21 ILE A 69 9.440 1.472 -4.600 1.00 44.54 H new ATOM 0 HG22 ILE A 69 10.024 0.825 -6.152 1.00 44.54 H new ATOM 0 HG23 ILE A 69 8.417 1.584 -6.052 1.00 44.54 H new ATOM 0 HD11 ILE A 69 6.060 -1.285 -2.799 1.00 41.42 H new ATOM 0 HD12 ILE A 69 6.528 -2.221 -4.239 1.00 41.42 H new ATOM 0 HD13 ILE A 69 7.704 -1.954 -2.930 1.00 41.42 H new ATOM 1166 N ASP A 70 10.112 -1.536 -7.756 1.00 62.50 N ATOM 1167 CA ASP A 70 11.159 -1.256 -8.755 1.00 23.32 C ATOM 1168 C ASP A 70 10.673 -1.522 -10.191 1.00 13.11 C ATOM 1169 O ASP A 70 10.999 -0.757 -11.108 1.00 43.03 O ATOM 1170 CB ASP A 70 12.438 -2.072 -8.434 1.00 1.30 C ATOM 1171 CG ASP A 70 13.611 -1.742 -9.374 1.00 51.53 C ATOM 1172 OD1 ASP A 70 13.993 -0.560 -9.443 1.00 13.12 O ATOM 1173 OD2 ASP A 70 14.178 -2.652 -10.012 1.00 63.21 O ATOM 0 H ASP A 70 10.366 -2.278 -7.104 1.00 62.50 H new ATOM 0 HA ASP A 70 11.399 -0.194 -8.697 1.00 23.32 H new ATOM 0 HB2 ASP A 70 12.738 -1.877 -7.404 1.00 1.30 H new ATOM 0 HB3 ASP A 70 12.211 -3.136 -8.504 1.00 1.30 H new ATOM 1178 N LYS A 71 9.868 -2.586 -10.361 1.00 52.15 N ATOM 1179 CA LYS A 71 9.306 -2.952 -11.669 1.00 52.34 C ATOM 1180 C LYS A 71 8.280 -1.903 -12.152 1.00 4.21 C ATOM 1181 O LYS A 71 8.277 -1.560 -13.330 1.00 20.33 O ATOM 1182 CB LYS A 71 8.687 -4.379 -11.631 1.00 13.21 C ATOM 1183 CG LYS A 71 7.531 -4.574 -10.618 1.00 0.31 C ATOM 1184 CD LYS A 71 7.034 -6.034 -10.523 1.00 23.35 C ATOM 1185 CE LYS A 71 6.425 -6.554 -11.840 1.00 52.20 C ATOM 1186 NZ LYS A 71 5.213 -5.790 -12.244 1.00 24.42 N ATOM 0 H LYS A 71 9.592 -3.210 -9.602 1.00 52.15 H new ATOM 0 HA LYS A 71 10.122 -2.965 -12.391 1.00 52.34 H new ATOM 0 HB2 LYS A 71 8.320 -4.624 -12.628 1.00 13.21 H new ATOM 0 HB3 LYS A 71 9.477 -5.093 -11.398 1.00 13.21 H new ATOM 0 HG2 LYS A 71 7.863 -4.247 -9.633 1.00 0.31 H new ATOM 0 HG3 LYS A 71 6.697 -3.933 -10.903 1.00 0.31 H new ATOM 0 HD2 LYS A 71 7.866 -6.677 -10.236 1.00 23.35 H new ATOM 0 HD3 LYS A 71 6.288 -6.107 -9.732 1.00 23.35 H new ATOM 0 HE2 LYS A 71 7.171 -6.492 -12.632 1.00 52.20 H new ATOM 0 HE3 LYS A 71 6.167 -7.607 -11.727 1.00 52.20 H new ATOM 0 HZ1 LYS A 71 4.782 -6.239 -13.077 1.00 24.42 H new ATOM 0 HZ2 LYS A 71 4.529 -5.784 -11.461 1.00 24.42 H new ATOM 0 HZ3 LYS A 71 5.481 -4.812 -12.477 1.00 24.42 H new ATOM 1200 N ILE A 72 7.449 -1.365 -11.220 1.00 20.41 N ATOM 1201 CA ILE A 72 6.407 -0.367 -11.563 1.00 34.45 C ATOM 1202 C ILE A 72 7.053 0.980 -11.960 1.00 52.44 C ATOM 1203 O ILE A 72 6.531 1.686 -12.824 1.00 65.34 O ATOM 1204 CB ILE A 72 5.370 -0.130 -10.393 1.00 33.42 C ATOM 1205 CG1 ILE A 72 4.757 -1.479 -9.900 1.00 63.41 C ATOM 1206 CG2 ILE A 72 4.239 0.837 -10.849 1.00 21.34 C ATOM 1207 CD1 ILE A 72 3.765 -1.337 -8.761 1.00 52.41 C ATOM 0 H ILE A 72 7.482 -1.606 -10.230 1.00 20.41 H new ATOM 0 HA ILE A 72 5.857 -0.779 -12.409 1.00 34.45 H new ATOM 0 HB ILE A 72 5.908 0.325 -9.561 1.00 33.42 H new ATOM 0 HG12 ILE A 72 4.261 -1.967 -10.739 1.00 63.41 H new ATOM 0 HG13 ILE A 72 5.566 -2.137 -9.582 1.00 63.41 H new ATOM 0 HG21 ILE A 72 3.536 0.987 -10.030 1.00 21.34 H new ATOM 0 HG22 ILE A 72 4.673 1.795 -11.135 1.00 21.34 H new ATOM 0 HG23 ILE A 72 3.715 0.407 -11.703 1.00 21.34 H new ATOM 0 HD11 ILE A 72 3.389 -2.321 -8.481 1.00 52.41 H new ATOM 0 HD12 ILE A 72 4.259 -0.880 -7.903 1.00 52.41 H new ATOM 0 HD13 ILE A 72 2.934 -0.708 -9.079 1.00 52.41 H new ATOM 1219 N LYS A 73 8.200 1.319 -11.324 1.00 60.43 N ATOM 1220 CA LYS A 73 8.975 2.530 -11.672 1.00 34.20 C ATOM 1221 C LYS A 73 9.522 2.447 -13.115 1.00 63.42 C ATOM 1222 O LYS A 73 9.656 3.471 -13.795 1.00 33.04 O ATOM 1223 CB LYS A 73 10.135 2.755 -10.670 1.00 54.15 C ATOM 1224 CG LYS A 73 9.677 2.993 -9.215 1.00 72.44 C ATOM 1225 CD LYS A 73 10.810 3.437 -8.254 1.00 53.21 C ATOM 1226 CE LYS A 73 11.862 2.346 -7.976 1.00 44.31 C ATOM 1227 NZ LYS A 73 12.785 2.091 -9.121 1.00 5.02 N ATOM 0 H LYS A 73 8.607 0.769 -10.567 1.00 60.43 H new ATOM 0 HA LYS A 73 8.297 3.381 -11.611 1.00 34.20 H new ATOM 0 HB2 LYS A 73 10.795 1.887 -10.694 1.00 54.15 H new ATOM 0 HB3 LYS A 73 10.723 3.612 -10.999 1.00 54.15 H new ATOM 0 HG2 LYS A 73 8.896 3.753 -9.212 1.00 72.44 H new ATOM 0 HG3 LYS A 73 9.231 2.075 -8.832 1.00 72.44 H new ATOM 0 HD2 LYS A 73 11.309 4.309 -8.676 1.00 53.21 H new ATOM 0 HD3 LYS A 73 10.368 3.750 -7.308 1.00 53.21 H new ATOM 0 HE2 LYS A 73 12.450 2.636 -7.105 1.00 44.31 H new ATOM 0 HE3 LYS A 73 11.350 1.418 -7.721 1.00 44.31 H new ATOM 0 HZ1 LYS A 73 12.484 1.232 -9.625 1.00 5.02 H new ATOM 0 HZ2 LYS A 73 12.762 2.901 -9.773 1.00 5.02 H new ATOM 0 HZ3 LYS A 73 13.753 1.961 -8.764 1.00 5.02 H new ATOM 1241 N LYS A 74 9.823 1.211 -13.564 1.00 1.32 N ATOM 1242 CA LYS A 74 10.277 0.946 -14.936 1.00 14.43 C ATOM 1243 C LYS A 74 9.093 1.070 -15.922 1.00 45.45 C ATOM 1244 O LYS A 74 9.255 1.604 -17.021 1.00 54.42 O ATOM 1245 CB LYS A 74 10.939 -0.457 -15.027 1.00 23.35 C ATOM 1246 CG LYS A 74 11.504 -0.827 -16.423 1.00 33.10 C ATOM 1247 CD LYS A 74 12.336 -2.134 -16.422 1.00 65.51 C ATOM 1248 CE LYS A 74 11.511 -3.392 -16.082 1.00 52.04 C ATOM 1249 NZ LYS A 74 10.498 -3.718 -17.124 1.00 21.24 N ATOM 0 H LYS A 74 9.757 0.374 -12.984 1.00 1.32 H new ATOM 0 HA LYS A 74 11.027 1.688 -15.210 1.00 14.43 H new ATOM 0 HB2 LYS A 74 11.749 -0.508 -14.299 1.00 23.35 H new ATOM 0 HB3 LYS A 74 10.204 -1.208 -14.739 1.00 23.35 H new ATOM 0 HG2 LYS A 74 10.677 -0.932 -17.126 1.00 33.10 H new ATOM 0 HG3 LYS A 74 12.127 -0.008 -16.784 1.00 33.10 H new ATOM 0 HD2 LYS A 74 12.794 -2.264 -17.403 1.00 65.51 H new ATOM 0 HD3 LYS A 74 13.148 -2.037 -15.702 1.00 65.51 H new ATOM 0 HE2 LYS A 74 12.185 -4.240 -15.959 1.00 52.04 H new ATOM 0 HE3 LYS A 74 11.008 -3.243 -15.127 1.00 52.04 H new ATOM 0 HZ1 LYS A 74 10.329 -4.744 -17.135 1.00 21.24 H new ATOM 0 HZ2 LYS A 74 9.609 -3.223 -16.911 1.00 21.24 H new ATOM 0 HZ3 LYS A 74 10.848 -3.415 -18.055 1.00 21.24 H new ATOM 1263 N GLU A 75 7.901 0.588 -15.509 1.00 5.32 N ATOM 1264 CA GLU A 75 6.677 0.651 -16.346 1.00 11.14 C ATOM 1265 C GLU A 75 6.150 2.091 -16.459 1.00 2.35 C ATOM 1266 O GLU A 75 5.623 2.490 -17.503 1.00 52.13 O ATOM 1267 CB GLU A 75 5.554 -0.268 -15.781 1.00 62.40 C ATOM 1268 CG GLU A 75 5.988 -1.721 -15.483 1.00 3.25 C ATOM 1269 CD GLU A 75 6.766 -2.404 -16.626 1.00 4.12 C ATOM 1270 OE1 GLU A 75 6.134 -2.963 -17.542 1.00 11.20 O ATOM 1271 OE2 GLU A 75 8.020 -2.404 -16.599 1.00 3.04 O ATOM 0 H GLU A 75 7.757 0.149 -14.599 1.00 5.32 H new ATOM 0 HA GLU A 75 6.955 0.297 -17.339 1.00 11.14 H new ATOM 0 HB2 GLU A 75 5.169 0.176 -14.863 1.00 62.40 H new ATOM 0 HB3 GLU A 75 4.730 -0.290 -16.494 1.00 62.40 H new ATOM 0 HG2 GLU A 75 6.607 -1.725 -14.586 1.00 3.25 H new ATOM 0 HG3 GLU A 75 5.101 -2.313 -15.260 1.00 3.25 H new ATOM 1278 N ARG A 76 6.295 2.860 -15.362 1.00 52.40 N ATOM 1279 CA ARG A 76 5.742 4.219 -15.239 1.00 65.32 C ATOM 1280 C ARG A 76 6.738 5.138 -14.499 1.00 51.32 C ATOM 1281 O ARG A 76 6.750 5.177 -13.262 1.00 74.23 O ATOM 1282 CB ARG A 76 4.365 4.196 -14.498 1.00 74.32 C ATOM 1283 CG ARG A 76 3.222 3.511 -15.277 1.00 72.11 C ATOM 1284 CD ARG A 76 1.902 3.468 -14.495 1.00 62.32 C ATOM 1285 NE ARG A 76 0.841 2.785 -15.259 1.00 4.24 N ATOM 1286 CZ ARG A 76 0.596 1.468 -15.235 1.00 21.34 C ATOM 1287 NH1 ARG A 76 1.325 0.644 -14.481 1.00 44.33 N ATOM 1288 NH2 ARG A 76 -0.382 0.974 -15.983 1.00 24.41 N ATOM 0 H ARG A 76 6.802 2.552 -14.533 1.00 52.40 H new ATOM 0 HA ARG A 76 5.580 4.614 -16.242 1.00 65.32 H new ATOM 0 HB2 ARG A 76 4.491 3.687 -13.543 1.00 74.32 H new ATOM 0 HB3 ARG A 76 4.071 5.222 -14.276 1.00 74.32 H new ATOM 0 HG2 ARG A 76 3.063 4.039 -16.217 1.00 72.11 H new ATOM 0 HG3 ARG A 76 3.521 2.494 -15.530 1.00 72.11 H new ATOM 0 HD2 ARG A 76 2.057 2.954 -13.546 1.00 62.32 H new ATOM 0 HD3 ARG A 76 1.585 4.484 -14.259 1.00 62.32 H new ATOM 0 HE ARG A 76 0.246 3.362 -15.854 1.00 4.24 H new ATOM 0 HH11 ARG A 76 2.084 1.014 -13.909 1.00 44.33 H new ATOM 0 HH12 ARG A 76 1.123 -0.356 -14.476 1.00 44.33 H new ATOM 0 HH21 ARG A 76 -0.939 1.595 -16.569 1.00 24.41 H new ATOM 0 HH22 ARG A 76 -0.577 -0.027 -15.972 1.00 24.41 H new ATOM 1302 N PRO A 77 7.636 5.850 -15.250 1.00 75.02 N ATOM 1303 CA PRO A 77 8.498 6.918 -14.676 1.00 41.14 C ATOM 1304 C PRO A 77 7.727 8.227 -14.384 1.00 3.41 C ATOM 1305 O PRO A 77 8.227 9.074 -13.633 1.00 74.04 O ATOM 1306 CB PRO A 77 9.574 7.125 -15.774 1.00 4.52 C ATOM 1307 CG PRO A 77 8.883 6.759 -17.054 1.00 15.43 C ATOM 1308 CD PRO A 77 7.931 5.628 -16.699 1.00 71.31 C ATOM 0 HA PRO A 77 8.910 6.638 -13.706 1.00 41.14 H new ATOM 0 HB2 PRO A 77 9.926 8.156 -15.794 1.00 4.52 H new ATOM 0 HB3 PRO A 77 10.445 6.494 -15.599 1.00 4.52 H new ATOM 0 HG2 PRO A 77 8.342 7.612 -17.465 1.00 15.43 H new ATOM 0 HG3 PRO A 77 9.602 6.443 -17.810 1.00 15.43 H new ATOM 0 HD2 PRO A 77 7.024 5.665 -17.302 1.00 71.31 H new ATOM 0 HD3 PRO A 77 8.387 4.653 -16.869 1.00 71.31 H new ATOM 1316 N GLN A 78 6.506 8.365 -14.964 1.00 20.05 N ATOM 1317 CA GLN A 78 5.679 9.600 -14.866 1.00 24.32 C ATOM 1318 C GLN A 78 5.319 9.957 -13.406 1.00 60.51 C ATOM 1319 O GLN A 78 5.140 11.135 -13.067 1.00 35.52 O ATOM 1320 CB GLN A 78 4.368 9.441 -15.701 1.00 22.44 C ATOM 1321 CG GLN A 78 3.388 8.363 -15.172 1.00 13.52 C ATOM 1322 CD GLN A 78 2.107 8.179 -15.998 1.00 51.04 C ATOM 1323 OE1 GLN A 78 1.552 7.077 -16.060 1.00 14.24 O ATOM 1324 NE2 GLN A 78 1.604 9.245 -16.610 1.00 61.42 N ATOM 0 H GLN A 78 6.067 7.625 -15.512 1.00 20.05 H new ATOM 0 HA GLN A 78 6.281 10.415 -15.267 1.00 24.32 H new ATOM 0 HB2 GLN A 78 3.851 10.400 -15.727 1.00 22.44 H new ATOM 0 HB3 GLN A 78 4.636 9.196 -16.729 1.00 22.44 H new ATOM 0 HG2 GLN A 78 3.913 7.409 -15.128 1.00 13.52 H new ATOM 0 HG3 GLN A 78 3.108 8.620 -14.150 1.00 13.52 H new ATOM 0 HE21 GLN A 78 2.081 10.144 -16.543 1.00 61.42 H new ATOM 0 HE22 GLN A 78 0.740 9.165 -17.147 1.00 61.42 H new ATOM 1333 N LEU A 79 5.219 8.920 -12.566 1.00 71.35 N ATOM 1334 CA LEU A 79 4.785 9.022 -11.168 1.00 14.34 C ATOM 1335 C LEU A 79 5.963 8.750 -10.222 1.00 12.13 C ATOM 1336 O LEU A 79 6.995 8.224 -10.646 1.00 45.05 O ATOM 1337 CB LEU A 79 3.590 8.033 -10.938 1.00 30.04 C ATOM 1338 CG LEU A 79 3.721 6.564 -11.497 1.00 71.14 C ATOM 1339 CD1 LEU A 79 4.615 5.666 -10.611 1.00 41.34 C ATOM 1340 CD2 LEU A 79 2.331 5.928 -11.715 1.00 3.11 C ATOM 0 H LEU A 79 5.443 7.965 -12.846 1.00 71.35 H new ATOM 0 HA LEU A 79 4.438 10.032 -10.949 1.00 14.34 H new ATOM 0 HB2 LEU A 79 3.415 7.966 -9.864 1.00 30.04 H new ATOM 0 HB3 LEU A 79 2.699 8.479 -11.379 1.00 30.04 H new ATOM 0 HG LEU A 79 4.219 6.639 -12.464 1.00 71.14 H new ATOM 0 HD11 LEU A 79 4.669 4.667 -11.043 1.00 41.34 H new ATOM 0 HD12 LEU A 79 5.617 6.092 -10.555 1.00 41.34 H new ATOM 0 HD13 LEU A 79 4.190 5.605 -9.609 1.00 41.34 H new ATOM 0 HD21 LEU A 79 2.451 4.916 -12.101 1.00 3.11 H new ATOM 0 HD22 LEU A 79 1.794 5.894 -10.767 1.00 3.11 H new ATOM 0 HD23 LEU A 79 1.766 6.525 -12.431 1.00 3.11 H new ATOM 1352 N GLU A 80 5.811 9.144 -8.952 1.00 52.15 N ATOM 1353 CA GLU A 80 6.730 8.726 -7.872 1.00 12.25 C ATOM 1354 C GLU A 80 6.087 7.595 -7.051 1.00 44.43 C ATOM 1355 O GLU A 80 4.887 7.335 -7.176 1.00 12.32 O ATOM 1356 CB GLU A 80 7.208 9.923 -6.970 1.00 34.24 C ATOM 1357 CG GLU A 80 6.199 11.051 -6.649 1.00 70.43 C ATOM 1358 CD GLU A 80 5.883 11.999 -7.836 1.00 34.21 C ATOM 1359 OE1 GLU A 80 6.785 12.737 -8.274 1.00 74.02 O ATOM 1360 OE2 GLU A 80 4.737 11.999 -8.342 1.00 71.04 O ATOM 0 H GLU A 80 5.057 9.756 -8.640 1.00 52.15 H new ATOM 0 HA GLU A 80 7.639 8.345 -8.337 1.00 12.25 H new ATOM 0 HB2 GLU A 80 7.554 9.508 -6.023 1.00 34.24 H new ATOM 0 HB3 GLU A 80 8.072 10.378 -7.453 1.00 34.24 H new ATOM 0 HG2 GLU A 80 5.268 10.600 -6.305 1.00 70.43 H new ATOM 0 HG3 GLU A 80 6.590 11.644 -5.823 1.00 70.43 H new ATOM 1367 N VAL A 81 6.907 6.886 -6.248 1.00 25.21 N ATOM 1368 CA VAL A 81 6.465 5.717 -5.458 1.00 5.34 C ATOM 1369 C VAL A 81 7.025 5.832 -4.030 1.00 55.33 C ATOM 1370 O VAL A 81 8.227 6.068 -3.854 1.00 61.22 O ATOM 1371 CB VAL A 81 6.922 4.334 -6.077 1.00 34.21 C ATOM 1372 CG1 VAL A 81 6.226 3.162 -5.343 1.00 3.14 C ATOM 1373 CG2 VAL A 81 6.678 4.263 -7.609 1.00 44.21 C ATOM 0 H VAL A 81 7.895 7.108 -6.129 1.00 25.21 H new ATOM 0 HA VAL A 81 5.375 5.727 -5.461 1.00 5.34 H new ATOM 0 HB VAL A 81 7.999 4.248 -5.931 1.00 34.21 H new ATOM 0 HG11 VAL A 81 6.549 2.217 -5.779 1.00 3.14 H new ATOM 0 HG12 VAL A 81 6.493 3.185 -4.286 1.00 3.14 H new ATOM 0 HG13 VAL A 81 5.145 3.258 -5.446 1.00 3.14 H new ATOM 0 HG21 VAL A 81 7.008 3.295 -7.986 1.00 44.21 H new ATOM 0 HG22 VAL A 81 5.615 4.389 -7.814 1.00 44.21 H new ATOM 0 HG23 VAL A 81 7.239 5.055 -8.104 1.00 44.21 H new ATOM 1383 N ARG A 82 6.153 5.670 -3.021 1.00 22.02 N ATOM 1384 CA ARG A 82 6.537 5.757 -1.601 1.00 22.52 C ATOM 1385 C ARG A 82 6.094 4.484 -0.852 1.00 73.21 C ATOM 1386 O ARG A 82 4.909 4.138 -0.882 1.00 12.22 O ATOM 1387 CB ARG A 82 5.866 7.008 -0.998 1.00 4.43 C ATOM 1388 CG ARG A 82 6.334 7.406 0.413 1.00 50.45 C ATOM 1389 CD ARG A 82 7.794 7.904 0.458 1.00 2.23 C ATOM 1390 NE ARG A 82 8.102 8.597 1.722 1.00 13.03 N ATOM 1391 CZ ARG A 82 7.903 9.906 1.956 1.00 24.13 C ATOM 1392 NH1 ARG A 82 7.400 10.709 1.024 1.00 73.25 N ATOM 1393 NH2 ARG A 82 8.201 10.414 3.139 1.00 75.24 N ATOM 0 H ARG A 82 5.162 5.475 -3.166 1.00 22.02 H new ATOM 0 HA ARG A 82 7.620 5.838 -1.505 1.00 22.52 H new ATOM 0 HB2 ARG A 82 6.040 7.849 -1.669 1.00 4.43 H new ATOM 0 HB3 ARG A 82 4.789 6.841 -0.969 1.00 4.43 H new ATOM 0 HG2 ARG A 82 5.679 8.188 0.797 1.00 50.45 H new ATOM 0 HG3 ARG A 82 6.230 6.548 1.077 1.00 50.45 H new ATOM 0 HD2 ARG A 82 8.470 7.058 0.334 1.00 2.23 H new ATOM 0 HD3 ARG A 82 7.973 8.579 -0.379 1.00 2.23 H new ATOM 0 HE ARG A 82 8.497 8.039 2.479 1.00 13.03 H new ATOM 0 HH11 ARG A 82 7.156 10.336 0.107 1.00 73.25 H new ATOM 0 HH12 ARG A 82 7.258 11.699 1.226 1.00 73.25 H new ATOM 0 HH21 ARG A 82 8.581 9.814 3.871 1.00 75.24 H new ATOM 0 HH22 ARG A 82 8.051 11.407 3.320 1.00 75.24 H new ATOM 1407 N LYS A 83 7.036 3.805 -0.171 1.00 22.42 N ATOM 1408 CA LYS A 83 6.746 2.589 0.606 1.00 31.45 C ATOM 1409 C LYS A 83 6.411 2.973 2.056 1.00 71.14 C ATOM 1410 O LYS A 83 7.239 3.555 2.763 1.00 12.31 O ATOM 1411 CB LYS A 83 7.930 1.588 0.574 1.00 70.32 C ATOM 1412 CG LYS A 83 8.308 1.110 -0.847 1.00 1.14 C ATOM 1413 CD LYS A 83 9.152 -0.188 -0.860 1.00 2.42 C ATOM 1414 CE LYS A 83 10.470 -0.072 -0.082 1.00 25.03 C ATOM 1415 NZ LYS A 83 11.321 1.034 -0.583 1.00 21.44 N ATOM 0 H LYS A 83 8.017 4.084 -0.145 1.00 22.42 H new ATOM 0 HA LYS A 83 5.889 2.092 0.150 1.00 31.45 H new ATOM 0 HB2 LYS A 83 8.801 2.056 1.033 1.00 70.32 H new ATOM 0 HB3 LYS A 83 7.676 0.720 1.183 1.00 70.32 H new ATOM 0 HG2 LYS A 83 7.396 0.946 -1.421 1.00 1.14 H new ATOM 0 HG3 LYS A 83 8.864 1.900 -1.351 1.00 1.14 H new ATOM 0 HD2 LYS A 83 8.561 -1.000 -0.437 1.00 2.42 H new ATOM 0 HD3 LYS A 83 9.372 -0.458 -1.893 1.00 2.42 H new ATOM 0 HE2 LYS A 83 10.253 0.088 0.974 1.00 25.03 H new ATOM 0 HE3 LYS A 83 11.018 -1.012 -0.156 1.00 25.03 H new ATOM 0 HZ1 LYS A 83 12.221 1.042 -0.062 1.00 21.44 H new ATOM 0 HZ2 LYS A 83 11.508 0.896 -1.597 1.00 21.44 H new ATOM 0 HZ3 LYS A 83 10.831 1.940 -0.442 1.00 21.44 H new ATOM 1429 N VAL A 84 5.184 2.667 2.469 1.00 62.31 N ATOM 1430 CA VAL A 84 4.670 2.948 3.809 1.00 42.32 C ATOM 1431 C VAL A 84 4.758 1.672 4.663 1.00 23.15 C ATOM 1432 O VAL A 84 3.894 0.800 4.618 1.00 41.25 O ATOM 1433 CB VAL A 84 3.205 3.503 3.707 1.00 22.32 C ATOM 1434 CG1 VAL A 84 2.485 3.563 5.074 1.00 13.11 C ATOM 1435 CG2 VAL A 84 3.212 4.887 3.007 1.00 74.23 C ATOM 0 H VAL A 84 4.502 2.205 1.867 1.00 62.31 H new ATOM 0 HA VAL A 84 5.272 3.715 4.298 1.00 42.32 H new ATOM 0 HB VAL A 84 2.631 2.801 3.102 1.00 22.32 H new ATOM 0 HG11 VAL A 84 1.477 3.955 4.937 1.00 13.11 H new ATOM 0 HG12 VAL A 84 2.430 2.561 5.501 1.00 13.11 H new ATOM 0 HG13 VAL A 84 3.039 4.215 5.749 1.00 13.11 H new ATOM 0 HG21 VAL A 84 2.192 5.266 2.940 1.00 74.23 H new ATOM 0 HG22 VAL A 84 3.821 5.583 3.584 1.00 74.23 H new ATOM 0 HG23 VAL A 84 3.628 4.786 2.005 1.00 74.23 H new ATOM 1445 N THR A 85 5.858 1.575 5.413 1.00 54.14 N ATOM 1446 CA THR A 85 6.199 0.390 6.217 1.00 13.53 C ATOM 1447 C THR A 85 5.542 0.421 7.619 1.00 42.34 C ATOM 1448 O THR A 85 5.592 -0.571 8.359 1.00 43.35 O ATOM 1449 CB THR A 85 7.746 0.300 6.331 1.00 41.42 C ATOM 1450 OG1 THR A 85 8.259 1.549 6.823 1.00 14.22 O ATOM 1451 CG2 THR A 85 8.407 -0.023 4.970 1.00 51.11 C ATOM 0 H THR A 85 6.548 2.323 5.483 1.00 54.14 H new ATOM 0 HA THR A 85 5.807 -0.496 5.718 1.00 13.53 H new ATOM 0 HB THR A 85 7.984 -0.510 7.020 1.00 41.42 H new ATOM 0 HG1 THR A 85 9.235 1.495 6.898 1.00 14.22 H new ATOM 0 HG21 THR A 85 9.489 -0.077 5.094 1.00 51.11 H new ATOM 0 HG22 THR A 85 8.036 -0.980 4.603 1.00 51.11 H new ATOM 0 HG23 THR A 85 8.163 0.760 4.252 1.00 51.11 H new ATOM 1459 N ASP A 86 4.936 1.566 7.960 1.00 10.41 N ATOM 1460 CA ASP A 86 4.172 1.765 9.213 1.00 22.14 C ATOM 1461 C ASP A 86 3.159 2.906 8.991 1.00 74.00 C ATOM 1462 O ASP A 86 3.352 3.720 8.088 1.00 11.42 O ATOM 1463 CB ASP A 86 5.137 2.101 10.388 1.00 4.14 C ATOM 1464 CG ASP A 86 4.443 2.169 11.769 1.00 55.53 C ATOM 1465 OD1 ASP A 86 4.268 1.114 12.412 1.00 40.33 O ATOM 1466 OD2 ASP A 86 4.079 3.271 12.218 1.00 44.54 O ATOM 0 H ASP A 86 4.959 2.397 7.369 1.00 10.41 H new ATOM 0 HA ASP A 86 3.639 0.851 9.475 1.00 22.14 H new ATOM 0 HB2 ASP A 86 5.925 1.349 10.425 1.00 4.14 H new ATOM 0 HB3 ASP A 86 5.619 3.058 10.187 1.00 4.14 H new ATOM 1471 N GLU A 87 2.083 2.954 9.814 1.00 45.04 N ATOM 1472 CA GLU A 87 1.040 4.010 9.742 1.00 22.12 C ATOM 1473 C GLU A 87 1.639 5.435 9.861 1.00 31.54 C ATOM 1474 O GLU A 87 1.074 6.387 9.328 1.00 3.11 O ATOM 1475 CB GLU A 87 -0.032 3.789 10.845 1.00 52.14 C ATOM 1476 CG GLU A 87 0.481 4.016 12.286 1.00 70.44 C ATOM 1477 CD GLU A 87 -0.512 3.587 13.381 1.00 23.51 C ATOM 1478 OE1 GLU A 87 -0.632 2.371 13.640 1.00 1.25 O ATOM 1479 OE2 GLU A 87 -1.168 4.457 13.992 1.00 20.43 O ATOM 0 H GLU A 87 1.913 2.264 10.545 1.00 45.04 H new ATOM 0 HA GLU A 87 0.572 3.932 8.761 1.00 22.12 H new ATOM 0 HB2 GLU A 87 -0.870 4.461 10.660 1.00 52.14 H new ATOM 0 HB3 GLU A 87 -0.415 2.772 10.764 1.00 52.14 H new ATOM 0 HG2 GLU A 87 1.413 3.466 12.420 1.00 70.44 H new ATOM 0 HG3 GLU A 87 0.714 5.073 12.415 1.00 70.44 H new ATOM 1486 N ASP A 88 2.780 5.550 10.575 1.00 51.10 N ATOM 1487 CA ASP A 88 3.565 6.795 10.698 1.00 61.12 C ATOM 1488 C ASP A 88 3.983 7.326 9.325 1.00 11.21 C ATOM 1489 O ASP A 88 3.862 8.520 9.063 1.00 34.13 O ATOM 1490 CB ASP A 88 4.816 6.530 11.574 1.00 63.11 C ATOM 1491 CG ASP A 88 5.811 7.706 11.606 1.00 11.01 C ATOM 1492 OD1 ASP A 88 5.519 8.712 12.279 1.00 73.23 O ATOM 1493 OD2 ASP A 88 6.897 7.620 10.978 1.00 74.53 O ATOM 0 H ASP A 88 3.186 4.768 11.089 1.00 51.10 H new ATOM 0 HA ASP A 88 2.941 7.554 11.170 1.00 61.12 H new ATOM 0 HB2 ASP A 88 4.495 6.309 12.592 1.00 63.11 H new ATOM 0 HB3 ASP A 88 5.328 5.643 11.202 1.00 63.11 H new ATOM 1498 N GLN A 89 4.459 6.416 8.462 1.00 63.41 N ATOM 1499 CA GLN A 89 4.863 6.744 7.085 1.00 32.22 C ATOM 1500 C GLN A 89 3.663 7.271 6.269 1.00 53.32 C ATOM 1501 O GLN A 89 3.811 8.185 5.458 1.00 54.32 O ATOM 1502 CB GLN A 89 5.477 5.498 6.399 1.00 13.22 C ATOM 1503 CG GLN A 89 6.767 4.963 7.053 1.00 24.34 C ATOM 1504 CD GLN A 89 7.944 5.932 6.921 1.00 52.04 C ATOM 1505 OE1 GLN A 89 8.177 6.786 7.783 1.00 41.13 O ATOM 1506 NE2 GLN A 89 8.700 5.795 5.842 1.00 72.31 N ATOM 0 H GLN A 89 4.575 5.431 8.699 1.00 63.41 H new ATOM 0 HA GLN A 89 5.616 7.531 7.126 1.00 32.22 H new ATOM 0 HB2 GLN A 89 4.733 4.701 6.394 1.00 13.22 H new ATOM 0 HB3 GLN A 89 5.690 5.743 5.358 1.00 13.22 H new ATOM 0 HG2 GLN A 89 6.580 4.768 8.109 1.00 24.34 H new ATOM 0 HG3 GLN A 89 7.033 4.010 6.595 1.00 24.34 H new ATOM 0 HE21 GLN A 89 8.477 5.079 5.151 1.00 72.31 H new ATOM 0 HE22 GLN A 89 9.505 6.406 5.702 1.00 72.31 H new ATOM 1515 N ALA A 90 2.471 6.685 6.518 1.00 33.23 N ATOM 1516 CA ALA A 90 1.211 7.120 5.889 1.00 71.33 C ATOM 1517 C ALA A 90 0.806 8.531 6.366 1.00 64.42 C ATOM 1518 O ALA A 90 0.237 9.305 5.604 1.00 51.22 O ATOM 1519 CB ALA A 90 0.091 6.109 6.174 1.00 71.22 C ATOM 0 H ALA A 90 2.359 5.900 7.159 1.00 33.23 H new ATOM 0 HA ALA A 90 1.371 7.166 4.812 1.00 71.33 H new ATOM 0 HB1 ALA A 90 -0.832 6.446 5.702 1.00 71.22 H new ATOM 0 HB2 ALA A 90 0.369 5.135 5.772 1.00 71.22 H new ATOM 0 HB3 ALA A 90 -0.060 6.028 7.250 1.00 71.22 H new ATOM 1525 N LYS A 91 1.130 8.846 7.632 1.00 53.54 N ATOM 1526 CA LYS A 91 0.842 10.161 8.238 1.00 55.30 C ATOM 1527 C LYS A 91 1.853 11.230 7.768 1.00 53.10 C ATOM 1528 O LYS A 91 1.500 12.405 7.637 1.00 71.43 O ATOM 1529 CB LYS A 91 0.852 10.049 9.780 1.00 65.22 C ATOM 1530 CG LYS A 91 -0.270 9.159 10.367 1.00 74.10 C ATOM 1531 CD LYS A 91 -0.101 8.934 11.890 1.00 60.21 C ATOM 1532 CE LYS A 91 -0.139 10.242 12.707 1.00 23.22 C ATOM 1533 NZ LYS A 91 0.131 10.002 14.152 1.00 51.00 N ATOM 0 H LYS A 91 1.599 8.198 8.265 1.00 53.54 H new ATOM 0 HA LYS A 91 -0.149 10.475 7.911 1.00 55.30 H new ATOM 0 HB2 LYS A 91 1.816 9.652 10.096 1.00 65.22 H new ATOM 0 HB3 LYS A 91 0.765 11.049 10.205 1.00 65.22 H new ATOM 0 HG2 LYS A 91 -1.237 9.623 10.175 1.00 74.10 H new ATOM 0 HG3 LYS A 91 -0.272 8.196 9.857 1.00 74.10 H new ATOM 0 HD2 LYS A 91 -0.891 8.270 12.242 1.00 60.21 H new ATOM 0 HD3 LYS A 91 0.846 8.427 12.073 1.00 60.21 H new ATOM 0 HE2 LYS A 91 0.599 10.939 12.311 1.00 23.22 H new ATOM 0 HE3 LYS A 91 -1.115 10.713 12.593 1.00 23.22 H new ATOM 0 HZ1 LYS A 91 0.097 10.905 14.666 1.00 51.00 H new ATOM 0 HZ2 LYS A 91 -0.588 9.357 14.537 1.00 51.00 H new ATOM 0 HZ3 LYS A 91 1.073 9.576 14.263 1.00 51.00 H new ATOM 1547 N GLN A 92 3.106 10.803 7.519 1.00 65.45 N ATOM 1548 CA GLN A 92 4.174 11.685 7.017 1.00 60.55 C ATOM 1549 C GLN A 92 3.838 12.161 5.603 1.00 11.30 C ATOM 1550 O GLN A 92 3.989 13.336 5.280 1.00 10.05 O ATOM 1551 CB GLN A 92 5.555 10.953 7.022 1.00 53.54 C ATOM 1552 CG GLN A 92 6.147 10.715 8.426 1.00 23.44 C ATOM 1553 CD GLN A 92 6.513 12.005 9.179 1.00 44.25 C ATOM 1554 OE1 GLN A 92 6.405 12.073 10.402 1.00 4.44 O ATOM 1555 NE2 GLN A 92 6.995 13.024 8.470 1.00 53.45 N ATOM 0 H GLN A 92 3.405 9.838 7.660 1.00 65.45 H new ATOM 0 HA GLN A 92 4.244 12.548 7.680 1.00 60.55 H new ATOM 0 HB2 GLN A 92 5.444 9.992 6.520 1.00 53.54 H new ATOM 0 HB3 GLN A 92 6.264 11.538 6.437 1.00 53.54 H new ATOM 0 HG2 GLN A 92 5.429 10.151 9.021 1.00 23.44 H new ATOM 0 HG3 GLN A 92 7.039 10.096 8.332 1.00 23.44 H new ATOM 0 HE21 GLN A 92 7.076 12.947 7.456 1.00 53.45 H new ATOM 0 HE22 GLN A 92 7.283 13.882 8.941 1.00 53.45 H new ATOM 1564 N ILE A 93 3.387 11.220 4.761 1.00 13.14 N ATOM 1565 CA ILE A 93 3.035 11.521 3.369 1.00 31.40 C ATOM 1566 C ILE A 93 1.720 12.300 3.243 1.00 1.33 C ATOM 1567 O ILE A 93 1.514 12.948 2.241 1.00 73.12 O ATOM 1568 CB ILE A 93 3.017 10.255 2.457 1.00 72.32 C ATOM 1569 CG1 ILE A 93 1.853 9.299 2.830 1.00 42.11 C ATOM 1570 CG2 ILE A 93 4.378 9.535 2.542 1.00 13.14 C ATOM 1571 CD1 ILE A 93 1.749 8.075 1.952 1.00 34.50 C ATOM 0 H ILE A 93 3.258 10.242 5.022 1.00 13.14 H new ATOM 0 HA ILE A 93 3.835 12.168 3.010 1.00 31.40 H new ATOM 0 HB ILE A 93 2.849 10.573 1.428 1.00 72.32 H new ATOM 0 HG12 ILE A 93 1.978 8.980 3.865 1.00 42.11 H new ATOM 0 HG13 ILE A 93 0.914 9.850 2.777 1.00 42.11 H new ATOM 0 HG21 ILE A 93 4.363 8.651 1.904 1.00 13.14 H new ATOM 0 HG22 ILE A 93 5.168 10.209 2.209 1.00 13.14 H new ATOM 0 HG23 ILE A 93 4.567 9.235 3.573 1.00 13.14 H new ATOM 0 HD11 ILE A 93 0.910 7.461 2.281 1.00 34.50 H new ATOM 0 HD12 ILE A 93 1.591 8.381 0.918 1.00 34.50 H new ATOM 0 HD13 ILE A 93 2.671 7.497 2.022 1.00 34.50 H new ATOM 1583 N LEU A 94 0.826 12.226 4.249 1.00 13.14 N ATOM 1584 CA LEU A 94 -0.333 13.154 4.329 1.00 4.13 C ATOM 1585 C LEU A 94 0.148 14.629 4.283 1.00 73.30 C ATOM 1586 O LEU A 94 -0.556 15.503 3.778 1.00 22.31 O ATOM 1587 CB LEU A 94 -1.191 12.899 5.607 1.00 61.52 C ATOM 1588 CG LEU A 94 -1.984 11.555 5.653 1.00 44.43 C ATOM 1589 CD1 LEU A 94 -2.636 11.340 7.036 1.00 75.12 C ATOM 1590 CD2 LEU A 94 -3.030 11.477 4.513 1.00 32.22 C ATOM 0 H LEU A 94 0.877 11.547 5.009 1.00 13.14 H new ATOM 0 HA LEU A 94 -0.968 12.963 3.464 1.00 4.13 H new ATOM 0 HB2 LEU A 94 -0.532 12.937 6.474 1.00 61.52 H new ATOM 0 HB3 LEU A 94 -1.902 13.719 5.711 1.00 61.52 H new ATOM 0 HG LEU A 94 -1.272 10.745 5.496 1.00 44.43 H new ATOM 0 HD11 LEU A 94 -3.181 10.396 7.038 1.00 75.12 H new ATOM 0 HD12 LEU A 94 -1.862 11.314 7.803 1.00 75.12 H new ATOM 0 HD13 LEU A 94 -3.326 12.158 7.244 1.00 75.12 H new ATOM 0 HD21 LEU A 94 -3.564 10.529 4.574 1.00 32.22 H new ATOM 0 HD22 LEU A 94 -3.738 12.300 4.612 1.00 32.22 H new ATOM 0 HD23 LEU A 94 -2.524 11.547 3.550 1.00 32.22 H new ATOM 1602 N GLU A 95 1.366 14.868 4.802 1.00 30.13 N ATOM 1603 CA GLU A 95 2.042 16.170 4.727 1.00 3.35 C ATOM 1604 C GLU A 95 2.763 16.322 3.356 1.00 45.54 C ATOM 1605 O GLU A 95 2.622 17.343 2.692 1.00 72.31 O ATOM 1606 CB GLU A 95 3.053 16.304 5.908 1.00 65.30 C ATOM 1607 CG GLU A 95 2.475 15.940 7.304 1.00 31.03 C ATOM 1608 CD GLU A 95 1.271 16.810 7.719 1.00 72.33 C ATOM 1609 OE1 GLU A 95 1.487 17.936 8.218 1.00 11.32 O ATOM 1610 OE2 GLU A 95 0.106 16.381 7.546 1.00 32.00 O ATOM 0 H GLU A 95 1.910 14.156 5.288 1.00 30.13 H new ATOM 0 HA GLU A 95 1.303 16.967 4.810 1.00 3.35 H new ATOM 0 HB2 GLU A 95 3.912 15.663 5.707 1.00 65.30 H new ATOM 0 HB3 GLU A 95 3.421 17.330 5.939 1.00 65.30 H new ATOM 0 HG2 GLU A 95 2.172 14.893 7.301 1.00 31.03 H new ATOM 0 HG3 GLU A 95 3.262 16.042 8.052 1.00 31.03 H new ATOM 1617 N ASP A 96 3.571 15.298 2.976 1.00 42.30 N ATOM 1618 CA ASP A 96 4.304 15.265 1.669 1.00 53.20 C ATOM 1619 C ASP A 96 3.382 15.465 0.430 1.00 60.32 C ATOM 1620 O ASP A 96 3.823 15.995 -0.582 1.00 10.31 O ATOM 1621 CB ASP A 96 5.128 13.953 1.495 1.00 5.41 C ATOM 1622 CG ASP A 96 6.283 13.807 2.507 1.00 54.40 C ATOM 1623 OD1 ASP A 96 7.161 14.701 2.549 1.00 21.21 O ATOM 1624 OD2 ASP A 96 6.341 12.797 3.247 1.00 30.25 O ATOM 0 H ASP A 96 3.736 14.476 3.557 1.00 42.30 H new ATOM 0 HA ASP A 96 4.984 16.116 1.712 1.00 53.20 H new ATOM 0 HB2 ASP A 96 4.459 13.098 1.595 1.00 5.41 H new ATOM 0 HB3 ASP A 96 5.536 13.922 0.485 1.00 5.41 H new ATOM 1629 N LEU A 97 2.109 15.056 0.529 1.00 33.41 N ATOM 1630 CA LEU A 97 1.104 15.198 -0.566 1.00 2.11 C ATOM 1631 C LEU A 97 0.622 16.667 -0.668 1.00 4.22 C ATOM 1632 O LEU A 97 0.108 17.099 -1.704 1.00 50.12 O ATOM 1633 CB LEU A 97 -0.088 14.207 -0.329 1.00 10.11 C ATOM 1634 CG LEU A 97 0.059 12.745 -0.917 1.00 1.33 C ATOM 1635 CD1 LEU A 97 1.472 12.155 -0.751 1.00 23.43 C ATOM 1636 CD2 LEU A 97 -0.976 11.808 -0.271 1.00 32.23 C ATOM 0 H LEU A 97 1.734 14.614 1.368 1.00 33.41 H new ATOM 0 HA LEU A 97 1.567 14.941 -1.519 1.00 2.11 H new ATOM 0 HB2 LEU A 97 -0.250 14.124 0.746 1.00 10.11 H new ATOM 0 HB3 LEU A 97 -0.988 14.653 -0.753 1.00 10.11 H new ATOM 0 HG LEU A 97 -0.122 12.827 -1.989 1.00 1.33 H new ATOM 0 HD11 LEU A 97 1.500 11.152 -1.176 1.00 23.43 H new ATOM 0 HD12 LEU A 97 2.194 12.788 -1.267 1.00 23.43 H new ATOM 0 HD13 LEU A 97 1.724 12.107 0.308 1.00 23.43 H new ATOM 0 HD21 LEU A 97 -0.866 10.805 -0.683 1.00 32.23 H new ATOM 0 HD22 LEU A 97 -0.816 11.777 0.807 1.00 32.23 H new ATOM 0 HD23 LEU A 97 -1.980 12.177 -0.478 1.00 32.23 H new ATOM 1648 N LYS A 98 0.811 17.405 0.436 1.00 51.53 N ATOM 1649 CA LYS A 98 0.546 18.857 0.511 1.00 45.44 C ATOM 1650 C LYS A 98 1.774 19.628 -0.009 1.00 0.44 C ATOM 1651 O LYS A 98 1.641 20.619 -0.734 1.00 62.21 O ATOM 1652 CB LYS A 98 0.221 19.290 1.971 1.00 32.00 C ATOM 1653 CG LYS A 98 -0.955 18.550 2.662 1.00 45.22 C ATOM 1654 CD LYS A 98 -2.346 18.754 1.976 1.00 70.24 C ATOM 1655 CE LYS A 98 -2.654 17.718 0.883 1.00 42.35 C ATOM 1656 NZ LYS A 98 -3.918 18.005 0.163 1.00 25.24 N ATOM 0 H LYS A 98 1.155 17.011 1.312 1.00 51.53 H new ATOM 0 HA LYS A 98 -0.321 19.087 -0.109 1.00 45.44 H new ATOM 0 HB2 LYS A 98 1.116 19.150 2.577 1.00 32.00 H new ATOM 0 HB3 LYS A 98 0.000 20.357 1.970 1.00 32.00 H new ATOM 0 HG2 LYS A 98 -0.731 17.484 2.688 1.00 45.22 H new ATOM 0 HG3 LYS A 98 -1.022 18.887 3.696 1.00 45.22 H new ATOM 0 HD2 LYS A 98 -3.126 18.710 2.736 1.00 70.24 H new ATOM 0 HD3 LYS A 98 -2.383 19.752 1.539 1.00 70.24 H new ATOM 0 HE2 LYS A 98 -1.831 17.694 0.169 1.00 42.35 H new ATOM 0 HE3 LYS A 98 -2.714 16.727 1.334 1.00 42.35 H new ATOM 0 HZ1 LYS A 98 -4.443 17.119 0.017 1.00 25.24 H new ATOM 0 HZ2 LYS A 98 -4.496 18.662 0.725 1.00 25.24 H new ATOM 0 HZ3 LYS A 98 -3.702 18.436 -0.759 1.00 25.24 H new ATOM 1670 N LYS A 99 2.964 19.144 0.392 1.00 5.44 N ATOM 1671 CA LYS A 99 4.266 19.730 0.024 1.00 54.14 C ATOM 1672 C LYS A 99 4.564 19.521 -1.480 1.00 64.35 C ATOM 1673 O LYS A 99 4.389 20.449 -2.284 1.00 25.44 O ATOM 1674 CB LYS A 99 5.375 19.086 0.912 1.00 22.04 C ATOM 1675 CG LYS A 99 5.199 19.312 2.438 1.00 41.34 C ATOM 1676 CD LYS A 99 6.032 18.318 3.288 1.00 14.03 C ATOM 1677 CE LYS A 99 7.534 18.340 2.965 1.00 1.00 C ATOM 1678 NZ LYS A 99 8.279 17.312 3.737 1.00 22.45 N ATOM 0 H LYS A 99 3.049 18.322 0.990 1.00 5.44 H new ATOM 0 HA LYS A 99 4.243 20.806 0.198 1.00 54.14 H new ATOM 0 HB2 LYS A 99 5.399 18.014 0.718 1.00 22.04 H new ATOM 0 HB3 LYS A 99 6.342 19.487 0.609 1.00 22.04 H new ATOM 0 HG2 LYS A 99 5.493 20.332 2.687 1.00 41.34 H new ATOM 0 HG3 LYS A 99 4.145 19.212 2.697 1.00 41.34 H new ATOM 0 HD2 LYS A 99 5.893 18.550 4.344 1.00 14.03 H new ATOM 0 HD3 LYS A 99 5.650 17.309 3.130 1.00 14.03 H new ATOM 0 HE2 LYS A 99 7.679 18.169 1.898 1.00 1.00 H new ATOM 0 HE3 LYS A 99 7.939 19.327 3.188 1.00 1.00 H new ATOM 0 HZ1 LYS A 99 9.299 17.424 3.570 1.00 22.45 H new ATOM 0 HZ2 LYS A 99 8.080 17.427 4.751 1.00 22.45 H new ATOM 0 HZ3 LYS A 99 7.980 16.364 3.431 1.00 22.45 H new ATOM 1692 N LYS A 100 4.958 18.278 -1.843 1.00 14.10 N ATOM 1693 CA LYS A 100 5.343 17.898 -3.219 1.00 12.14 C ATOM 1694 C LYS A 100 5.658 16.390 -3.303 1.00 33.14 C ATOM 1695 O LYS A 100 5.957 15.746 -2.285 1.00 50.22 O ATOM 1696 CB LYS A 100 6.590 18.700 -3.705 1.00 25.34 C ATOM 1697 CG LYS A 100 7.892 18.457 -2.888 1.00 12.43 C ATOM 1698 CD LYS A 100 9.144 19.043 -3.577 1.00 12.31 C ATOM 1699 CE LYS A 100 9.422 18.388 -4.946 1.00 24.40 C ATOM 1700 NZ LYS A 100 10.646 18.946 -5.586 1.00 53.43 N ATOM 0 H LYS A 100 5.018 17.504 -1.181 1.00 14.10 H new ATOM 0 HA LYS A 100 4.496 18.133 -3.863 1.00 12.14 H new ATOM 0 HB2 LYS A 100 6.782 18.447 -4.748 1.00 25.34 H new ATOM 0 HB3 LYS A 100 6.353 19.764 -3.674 1.00 25.34 H new ATOM 0 HG2 LYS A 100 7.784 18.902 -1.899 1.00 12.43 H new ATOM 0 HG3 LYS A 100 8.030 17.386 -2.742 1.00 12.43 H new ATOM 0 HD2 LYS A 100 9.013 20.117 -3.711 1.00 12.31 H new ATOM 0 HD3 LYS A 100 10.010 18.906 -2.929 1.00 12.31 H new ATOM 0 HE2 LYS A 100 9.537 17.312 -4.818 1.00 24.40 H new ATOM 0 HE3 LYS A 100 8.566 18.541 -5.603 1.00 24.40 H new ATOM 0 HZ1 LYS A 100 10.800 18.482 -6.504 1.00 53.43 H new ATOM 0 HZ2 LYS A 100 10.526 19.969 -5.731 1.00 53.43 H new ATOM 0 HZ3 LYS A 100 11.467 18.778 -4.970 1.00 53.43 H new ATOM 1714 N GLY A 101 5.628 15.849 -4.531 1.00 64.20 N ATOM 1715 CA GLY A 101 6.056 14.475 -4.794 1.00 70.44 C ATOM 1716 C GLY A 101 7.571 14.378 -4.892 1.00 43.12 C ATOM 1717 O GLY A 101 8.132 14.414 -5.990 1.00 53.30 O ATOM 0 H GLY A 101 5.309 16.350 -5.360 1.00 64.20 H new ATOM 0 HA2 GLY A 101 5.698 13.822 -3.998 1.00 70.44 H new ATOM 0 HA3 GLY A 101 5.606 14.123 -5.722 1.00 70.44 H new ATOM 1721 N SER A 102 8.230 14.303 -3.724 1.00 3.02 N ATOM 1722 CA SER A 102 9.690 14.206 -3.631 1.00 33.23 C ATOM 1723 C SER A 102 10.176 12.827 -4.151 1.00 44.11 C ATOM 1724 O SER A 102 10.159 11.829 -3.420 1.00 3.13 O ATOM 1725 CB SER A 102 10.109 14.477 -2.165 1.00 14.35 C ATOM 1726 OG SER A 102 9.404 13.642 -1.243 1.00 71.41 O ATOM 0 H SER A 102 7.761 14.308 -2.818 1.00 3.02 H new ATOM 0 HA SER A 102 10.166 14.954 -4.265 1.00 33.23 H new ATOM 0 HB2 SER A 102 11.181 14.311 -2.058 1.00 14.35 H new ATOM 0 HB3 SER A 102 9.923 15.523 -1.922 1.00 14.35 H new ATOM 0 HG SER A 102 9.358 12.730 -1.597 1.00 71.41 H new ATOM 1732 N LEU A 103 10.541 12.782 -5.448 1.00 0.24 N ATOM 1733 CA LEU A 103 10.911 11.528 -6.150 1.00 72.23 C ATOM 1734 C LEU A 103 12.407 11.196 -6.033 1.00 33.13 C ATOM 1735 O LEU A 103 12.806 10.024 -6.171 1.00 3.12 O ATOM 1736 CB LEU A 103 10.443 11.600 -7.640 1.00 73.54 C ATOM 1737 CG LEU A 103 10.805 12.894 -8.465 1.00 35.33 C ATOM 1738 CD1 LEU A 103 12.296 12.977 -8.856 1.00 62.31 C ATOM 1739 CD2 LEU A 103 9.908 13.020 -9.707 1.00 11.21 C ATOM 0 H LEU A 103 10.589 13.610 -6.041 1.00 0.24 H new ATOM 0 HA LEU A 103 10.393 10.705 -5.658 1.00 72.23 H new ATOM 0 HB2 LEU A 103 10.862 10.741 -8.164 1.00 73.54 H new ATOM 0 HB3 LEU A 103 9.359 11.485 -7.656 1.00 73.54 H new ATOM 0 HG LEU A 103 10.617 13.738 -7.802 1.00 35.33 H new ATOM 0 HD11 LEU A 103 12.474 13.892 -9.421 1.00 62.31 H new ATOM 0 HD12 LEU A 103 12.909 12.983 -7.955 1.00 62.31 H new ATOM 0 HD13 LEU A 103 12.560 12.115 -9.469 1.00 62.31 H new ATOM 0 HD21 LEU A 103 10.177 13.920 -10.260 1.00 11.21 H new ATOM 0 HD22 LEU A 103 10.046 12.147 -10.345 1.00 11.21 H new ATOM 0 HD23 LEU A 103 8.865 13.082 -9.398 1.00 11.21 H new ATOM 1751 N GLU A 104 13.230 12.235 -5.804 1.00 2.32 N ATOM 1752 CA GLU A 104 14.678 12.076 -5.611 1.00 44.44 C ATOM 1753 C GLU A 104 14.914 11.328 -4.284 1.00 1.40 C ATOM 1754 O GLU A 104 14.214 11.572 -3.288 1.00 30.32 O ATOM 1755 CB GLU A 104 15.426 13.452 -5.678 1.00 60.44 C ATOM 1756 CG GLU A 104 15.241 14.425 -4.484 1.00 3.42 C ATOM 1757 CD GLU A 104 13.782 14.799 -4.149 1.00 14.00 C ATOM 1758 OE1 GLU A 104 13.050 15.262 -5.050 1.00 11.44 O ATOM 1759 OE2 GLU A 104 13.370 14.661 -2.975 1.00 54.12 O ATOM 0 H GLU A 104 12.910 13.202 -5.748 1.00 2.32 H new ATOM 0 HA GLU A 104 15.098 11.483 -6.424 1.00 44.44 H new ATOM 0 HB2 GLU A 104 16.492 13.251 -5.786 1.00 60.44 H new ATOM 0 HB3 GLU A 104 15.105 13.966 -6.584 1.00 60.44 H new ATOM 0 HG2 GLU A 104 15.695 13.977 -3.600 1.00 3.42 H new ATOM 0 HG3 GLU A 104 15.793 15.341 -4.696 1.00 3.42 H new ATOM 1766 N HIS A 105 15.876 10.393 -4.304 1.00 51.51 N ATOM 1767 CA HIS A 105 16.021 9.352 -3.274 1.00 13.31 C ATOM 1768 C HIS A 105 16.394 9.953 -1.904 1.00 30.21 C ATOM 1769 O HIS A 105 15.532 10.060 -1.031 1.00 24.04 O ATOM 1770 CB HIS A 105 17.051 8.282 -3.729 1.00 2.21 C ATOM 1771 CG HIS A 105 16.722 7.586 -5.025 1.00 2.13 C ATOM 1772 ND1 HIS A 105 15.587 7.844 -5.774 1.00 62.23 N ATOM 1773 CD2 HIS A 105 17.401 6.627 -5.700 1.00 42.43 C ATOM 1774 CE1 HIS A 105 15.586 7.071 -6.839 1.00 23.34 C ATOM 1775 NE2 HIS A 105 16.671 6.328 -6.816 1.00 41.21 N ATOM 0 H HIS A 105 16.580 10.337 -5.040 1.00 51.51 H new ATOM 0 HA HIS A 105 15.055 8.863 -3.149 1.00 13.31 H new ATOM 0 HB2 HIS A 105 18.026 8.758 -3.828 1.00 2.21 H new ATOM 0 HB3 HIS A 105 17.142 7.531 -2.944 1.00 2.21 H new ATOM 0 HD2 HIS A 105 18.342 6.183 -5.411 1.00 42.43 H new ATOM 0 HE1 HIS A 105 14.823 7.050 -7.603 1.00 23.34 H new ATOM 0 HE2 HIS A 105 16.927 5.637 -7.521 1.00 41.21 H new ATOM 1784 N HIS A 106 17.671 10.388 -1.749 1.00 55.31 N ATOM 1785 CA HIS A 106 18.277 10.865 -0.461 1.00 61.00 C ATOM 1786 C HIS A 106 17.938 9.947 0.760 1.00 63.12 C ATOM 1787 O HIS A 106 17.927 10.394 1.913 1.00 64.12 O ATOM 1788 CB HIS A 106 17.986 12.384 -0.186 1.00 51.11 C ATOM 1789 CG HIS A 106 16.531 12.789 -0.092 1.00 55.55 C ATOM 1790 ND1 HIS A 106 15.717 13.368 -1.001 1.00 53.10 N flip ATOM 1791 CD2 HIS A 106 15.761 12.604 1.035 1.00 32.32 C flip ATOM 1792 CE1 HIS A 106 14.488 13.523 -0.421 1.00 14.30 C flip ATOM 1793 NE2 HIS A 106 14.538 13.055 0.810 1.00 74.04 N flip ATOM 0 H HIS A 106 18.329 10.421 -2.528 1.00 55.31 H new ATOM 0 HA HIS A 106 19.356 10.781 -0.591 1.00 61.00 H new ATOM 0 HB2 HIS A 106 18.478 12.662 0.746 1.00 51.11 H new ATOM 0 HB3 HIS A 106 18.452 12.969 -0.979 1.00 51.11 H new ATOM 0 HD2 HIS A 106 16.103 12.160 1.958 1.00 32.32 H new ATOM 0 HE1 HIS A 106 13.620 13.957 -0.894 1.00 14.30 H new ATOM 0 HE2 HIS A 106 13.765 13.043 1.476 1.00 74.04 H new ATOM 1802 N HIS A 107 17.713 8.650 0.463 1.00 50.25 N ATOM 1803 CA HIS A 107 17.469 7.586 1.452 1.00 63.54 C ATOM 1804 C HIS A 107 17.994 6.266 0.853 1.00 64.40 C ATOM 1805 O HIS A 107 17.729 5.969 -0.323 1.00 53.21 O ATOM 1806 CB HIS A 107 15.953 7.483 1.847 1.00 4.43 C ATOM 1807 CG HIS A 107 14.984 7.067 0.746 1.00 55.02 C ATOM 1808 ND1 HIS A 107 14.199 7.960 0.049 1.00 61.13 N ATOM 1809 CD2 HIS A 107 14.654 5.840 0.253 1.00 61.42 C ATOM 1810 CE1 HIS A 107 13.441 7.310 -0.815 1.00 44.11 C ATOM 1811 NE2 HIS A 107 13.702 6.025 -0.711 1.00 53.14 N ATOM 0 H HIS A 107 17.696 8.308 -0.498 1.00 50.25 H new ATOM 0 HA HIS A 107 17.996 7.815 2.379 1.00 63.54 H new ATOM 0 HB2 HIS A 107 15.863 6.770 2.667 1.00 4.43 H new ATOM 0 HB3 HIS A 107 15.635 8.452 2.231 1.00 4.43 H new ATOM 0 HD1 HIS A 107 14.203 8.971 0.181 1.00 61.13 H new ATOM 0 HD2 HIS A 107 15.069 4.894 0.567 1.00 61.42 H new ATOM 0 HE1 HIS A 107 12.728 7.757 -1.492 1.00 44.11 H new ATOM 1820 N HIS A 108 18.755 5.495 1.633 1.00 14.33 N ATOM 1821 CA HIS A 108 19.377 4.244 1.147 1.00 44.24 C ATOM 1822 C HIS A 108 18.508 3.005 1.464 1.00 31.44 C ATOM 1823 O HIS A 108 18.690 1.965 0.820 1.00 75.44 O ATOM 1824 CB HIS A 108 20.773 4.044 1.794 1.00 50.34 C ATOM 1825 CG HIS A 108 21.801 5.085 1.433 1.00 75.21 C ATOM 1826 ND1 HIS A 108 22.518 5.787 2.375 1.00 61.12 N ATOM 1827 CD2 HIS A 108 22.282 5.483 0.231 1.00 14.41 C ATOM 1828 CE1 HIS A 108 23.391 6.566 1.774 1.00 42.54 C ATOM 1829 NE2 HIS A 108 23.265 6.402 0.475 1.00 12.12 N ATOM 0 H HIS A 108 18.961 5.709 2.609 1.00 14.33 H new ATOM 0 HA HIS A 108 19.471 4.340 0.065 1.00 44.24 H new ATOM 0 HB2 HIS A 108 20.656 4.032 2.878 1.00 50.34 H new ATOM 0 HB3 HIS A 108 21.153 3.065 1.504 1.00 50.34 H new ATOM 0 HD2 HIS A 108 21.951 5.139 -0.738 1.00 14.41 H new ATOM 0 HE1 HIS A 108 24.091 7.227 2.263 1.00 42.54 H new ATOM 0 HE2 HIS A 108 23.813 6.884 -0.237 1.00 12.12 H new ATOM 1838 N HIS A 109 17.567 3.151 2.432 1.00 62.40 N ATOM 1839 CA HIS A 109 16.973 2.027 3.193 1.00 2.31 C ATOM 1840 C HIS A 109 18.059 1.479 4.153 1.00 31.03 C ATOM 1841 O HIS A 109 18.876 0.625 3.776 1.00 15.43 O ATOM 1842 CB HIS A 109 16.330 0.922 2.271 1.00 22.32 C ATOM 1843 CG HIS A 109 15.940 -0.373 2.951 1.00 4.43 C ATOM 1844 ND1 HIS A 109 14.762 -0.549 3.650 1.00 45.42 N ATOM 1845 CD2 HIS A 109 16.585 -1.562 3.017 1.00 62.44 C ATOM 1846 CE1 HIS A 109 14.711 -1.785 4.112 1.00 42.13 C ATOM 1847 NE2 HIS A 109 15.799 -2.416 3.741 1.00 21.14 N ATOM 0 H HIS A 109 17.198 4.061 2.707 1.00 62.40 H new ATOM 0 HA HIS A 109 16.127 2.388 3.777 1.00 2.31 H new ATOM 0 HB2 HIS A 109 15.441 1.343 1.801 1.00 22.32 H new ATOM 0 HB3 HIS A 109 17.034 0.691 1.472 1.00 22.32 H new ATOM 0 HD2 HIS A 109 17.544 -1.794 2.578 1.00 62.44 H new ATOM 0 HE1 HIS A 109 13.907 -2.206 4.698 1.00 42.13 H new ATOM 0 HE2 HIS A 109 16.023 -3.387 3.957 1.00 21.14 H new ATOM 1856 N HIS A 110 18.108 2.055 5.369 1.00 32.04 N ATOM 1857 CA HIS A 110 19.103 1.705 6.398 1.00 13.21 C ATOM 1858 C HIS A 110 18.365 1.469 7.741 1.00 72.35 C ATOM 1859 O HIS A 110 18.110 2.441 8.484 1.00 72.31 O ATOM 1860 CB HIS A 110 20.177 2.830 6.506 1.00 1.54 C ATOM 1861 CG HIS A 110 21.288 2.526 7.489 1.00 23.02 C ATOM 1862 ND1 HIS A 110 21.146 2.695 8.849 1.00 35.13 N ATOM 1863 CD2 HIS A 110 22.543 2.039 7.306 1.00 71.22 C ATOM 1864 CE1 HIS A 110 22.256 2.333 9.458 1.00 4.32 C ATOM 1865 NE2 HIS A 110 23.118 1.933 8.544 1.00 34.15 N ATOM 1866 OXT HIS A 110 18.005 0.315 8.027 1.00 37.93 O ATOM 0 H HIS A 110 17.455 2.780 5.666 1.00 32.04 H new ATOM 0 HA HIS A 110 19.628 0.789 6.129 1.00 13.21 H new ATOM 0 HB2 HIS A 110 20.613 2.998 5.521 1.00 1.54 H new ATOM 0 HB3 HIS A 110 19.688 3.758 6.801 1.00 1.54 H new ATOM 0 HD2 HIS A 110 23.001 1.784 6.362 1.00 71.22 H new ATOM 0 HE1 HIS A 110 22.430 2.359 10.524 1.00 4.32 H new ATOM 0 HE2 HIS A 110 24.063 1.598 8.730 1.00 34.15 H new TER 1875 HIS A 110