USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 715 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 THR OG1 : rot -157:sc= -0.164 USER MOD Set 1.2: A 80 HIS : no HD1:sc= -1.74 K(o=-1.9,f=-3.4!) USER MOD Set 2.1: A 13 LYS NZ :NH3+ -102:sc= -0.25 (180deg=-0.908) USER MOD Set 2.2: A 15 THR OG1 : rot 89:sc=0.000631 USER MOD Set 2.3: A 32 SER OG : rot 180:sc= 0.00114 USER MOD Set 3.1: A 5 THR OG1 : rot 100:sc= 0.0134 USER MOD Set 3.2: A 75 ASN : amide:sc= 0.011 X(o=0.024,f=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 95:sc= 0.559 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -115:sc= 0.466 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.198) USER MOD Single : A 19 THR OG1 : rot -103:sc= 0.0586 USER MOD Single : A 21 THR OG1 : rot -79:sc= 0.241 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 179:sc= 0.201 (180deg=0.201) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 37:sc= -0.67 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.0191 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -119:sc= 1.21 (180deg=-0.189) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.227 USER MOD Single : A 57 SER OG : rot 180:sc= -1.03 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN : amide:sc=-0.00956 X(o=-0.0096,f=-0.3) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 77:sc= 0.138 USER MOD Single : A 94 HIS : no HE2:sc= -0.728 K(o=-0.73,f=-3.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.309 1.669 -13.801 1.00 1.88 N ATOM 2 CA MET A 1 -17.354 2.524 -13.167 1.00 1.86 C ATOM 3 C MET A 1 -16.746 3.320 -12.005 1.00 1.98 C ATOM 4 O MET A 1 -16.606 4.528 -12.084 1.00 2.47 O ATOM 5 CB MET A 1 -18.491 1.635 -12.652 1.00 2.21 C ATOM 6 CG MET A 1 -19.829 2.344 -12.861 1.00 2.78 C ATOM 7 SD MET A 1 -20.901 1.308 -13.880 1.00 3.10 S ATOM 8 CE MET A 1 -21.732 2.656 -14.752 1.00 3.90 C ATOM 0 H1 MET A 1 -16.729 1.133 -14.587 1.00 1.88 H new ATOM 0 H2 MET A 1 -15.541 2.270 -14.163 1.00 1.88 H new ATOM 0 H3 MET A 1 -15.927 1.007 -13.096 1.00 1.88 H new ATOM 0 HA MET A 1 -17.746 3.224 -13.905 1.00 1.86 H new ATOM 0 HB2 MET A 1 -18.487 0.681 -13.178 1.00 2.21 H new ATOM 0 HB3 MET A 1 -18.345 1.416 -11.594 1.00 2.21 H new ATOM 0 HG2 MET A 1 -20.303 2.542 -11.899 1.00 2.78 H new ATOM 0 HG3 MET A 1 -19.671 3.309 -13.343 1.00 2.78 H new ATOM 0 HE1 MET A 1 -22.458 2.243 -15.453 1.00 3.90 H new ATOM 0 HE2 MET A 1 -22.245 3.294 -14.032 1.00 3.90 H new ATOM 0 HE3 MET A 1 -20.995 3.245 -15.298 1.00 3.90 H new ATOM 20 N SER A 2 -16.384 2.656 -10.933 1.00 1.86 N ATOM 21 CA SER A 2 -15.782 3.369 -9.765 1.00 2.10 C ATOM 22 C SER A 2 -14.275 3.098 -9.724 1.00 2.16 C ATOM 23 O SER A 2 -13.838 1.962 -9.659 1.00 2.16 O ATOM 24 CB SER A 2 -16.435 2.891 -8.462 1.00 2.36 C ATOM 25 OG SER A 2 -16.576 1.475 -8.481 1.00 2.37 O ATOM 0 H SER A 2 -16.481 1.647 -10.818 1.00 1.86 H new ATOM 0 HA SER A 2 -15.954 4.440 -9.870 1.00 2.10 H new ATOM 0 HB2 SER A 2 -15.828 3.193 -7.609 1.00 2.36 H new ATOM 0 HB3 SER A 2 -17.411 3.361 -8.341 1.00 2.36 H new ATOM 0 HG SER A 2 -15.811 1.064 -8.028 1.00 2.37 H new ATOM 31 N GLY A 3 -13.483 4.143 -9.773 1.00 2.41 N ATOM 32 CA GLY A 3 -12.001 3.972 -9.748 1.00 2.61 C ATOM 33 C GLY A 3 -11.464 4.038 -11.178 1.00 2.55 C ATOM 34 O GLY A 3 -10.809 4.991 -11.559 1.00 2.87 O ATOM 0 H GLY A 3 -13.804 5.110 -9.829 1.00 2.41 H new ATOM 0 HA2 GLY A 3 -11.543 4.751 -9.138 1.00 2.61 H new ATOM 0 HA3 GLY A 3 -11.741 3.017 -9.293 1.00 2.61 H new ATOM 38 N GLY A 4 -11.744 3.031 -11.972 1.00 2.32 N ATOM 39 CA GLY A 4 -11.258 3.022 -13.385 1.00 2.41 C ATOM 40 C GLY A 4 -12.211 2.198 -14.252 1.00 2.11 C ATOM 41 O GLY A 4 -13.187 2.709 -14.774 1.00 2.05 O ATOM 0 H GLY A 4 -12.290 2.214 -11.699 1.00 2.32 H new ATOM 0 HA2 GLY A 4 -11.195 4.042 -13.765 1.00 2.41 H new ATOM 0 HA3 GLY A 4 -10.253 2.602 -13.432 1.00 2.41 H new ATOM 45 N THR A 5 -11.930 0.928 -14.405 1.00 2.05 N ATOM 46 CA THR A 5 -12.806 0.047 -15.236 1.00 1.89 C ATOM 47 C THR A 5 -13.672 -0.818 -14.310 1.00 1.54 C ATOM 48 O THR A 5 -14.844 -1.024 -14.568 1.00 1.45 O ATOM 49 CB THR A 5 -11.941 -0.859 -16.131 1.00 2.24 C ATOM 50 OG1 THR A 5 -10.717 -0.203 -16.454 1.00 2.47 O ATOM 51 CG2 THR A 5 -12.700 -1.178 -17.422 1.00 2.11 C ATOM 0 H THR A 5 -11.125 0.461 -13.987 1.00 2.05 H new ATOM 0 HA THR A 5 -13.445 0.663 -15.869 1.00 1.89 H new ATOM 0 HB THR A 5 -11.722 -1.782 -15.594 1.00 2.24 H new ATOM 0 HG1 THR A 5 -10.004 -0.535 -15.870 1.00 2.47 H new ATOM 0 HG21 THR A 5 -12.087 -1.819 -18.055 1.00 2.11 H new ATOM 0 HG22 THR A 5 -13.631 -1.690 -17.180 1.00 2.11 H new ATOM 0 HG23 THR A 5 -12.923 -0.252 -17.951 1.00 2.11 H new ATOM 59 N ALA A 6 -13.098 -1.318 -13.231 1.00 1.43 N ATOM 60 CA ALA A 6 -13.867 -2.169 -12.265 1.00 1.17 C ATOM 61 C ALA A 6 -14.170 -3.529 -12.902 1.00 1.04 C ATOM 62 O ALA A 6 -15.087 -3.668 -13.693 1.00 1.20 O ATOM 63 CB ALA A 6 -15.178 -1.471 -11.882 1.00 1.13 C ATOM 0 H ALA A 6 -12.121 -1.169 -12.981 1.00 1.43 H new ATOM 0 HA ALA A 6 -13.268 -2.319 -11.366 1.00 1.17 H new ATOM 0 HB1 ALA A 6 -15.731 -2.095 -11.180 1.00 1.13 H new ATOM 0 HB2 ALA A 6 -14.956 -0.511 -11.417 1.00 1.13 H new ATOM 0 HB3 ALA A 6 -15.780 -1.310 -12.777 1.00 1.13 H new ATOM 69 N ALA A 7 -13.401 -4.536 -12.561 1.00 1.09 N ATOM 70 CA ALA A 7 -13.633 -5.894 -13.139 1.00 1.00 C ATOM 71 C ALA A 7 -14.345 -6.775 -12.111 1.00 0.62 C ATOM 72 O ALA A 7 -13.826 -7.040 -11.041 1.00 0.78 O ATOM 73 CB ALA A 7 -12.294 -6.528 -13.515 1.00 1.41 C ATOM 0 H ALA A 7 -12.622 -4.474 -11.906 1.00 1.09 H new ATOM 0 HA ALA A 7 -14.254 -5.804 -14.031 1.00 1.00 H new ATOM 0 HB1 ALA A 7 -12.466 -7.518 -13.936 1.00 1.41 H new ATOM 0 HB2 ALA A 7 -11.790 -5.903 -14.252 1.00 1.41 H new ATOM 0 HB3 ALA A 7 -11.670 -6.615 -12.625 1.00 1.41 H new ATOM 79 N THR A 8 -15.528 -7.234 -12.435 1.00 0.53 N ATOM 80 CA THR A 8 -16.286 -8.108 -11.491 1.00 0.60 C ATOM 81 C THR A 8 -15.737 -9.536 -11.585 1.00 0.63 C ATOM 82 O THR A 8 -15.829 -10.178 -12.617 1.00 0.74 O ATOM 83 CB THR A 8 -17.776 -8.096 -11.862 1.00 0.96 C ATOM 84 OG1 THR A 8 -18.266 -6.761 -11.814 1.00 1.09 O ATOM 85 CG2 THR A 8 -18.559 -8.966 -10.877 1.00 1.34 C ATOM 0 H THR A 8 -16.002 -7.039 -13.317 1.00 0.53 H new ATOM 0 HA THR A 8 -16.172 -7.739 -10.472 1.00 0.60 H new ATOM 0 HB THR A 8 -17.901 -8.492 -12.870 1.00 0.96 H new ATOM 0 HG1 THR A 8 -19.217 -6.753 -12.052 1.00 1.09 H new ATOM 0 HG21 THR A 8 -19.616 -8.955 -11.143 1.00 1.34 H new ATOM 0 HG22 THR A 8 -18.185 -9.989 -10.918 1.00 1.34 H new ATOM 0 HG23 THR A 8 -18.435 -8.574 -9.867 1.00 1.34 H new ATOM 93 N THR A 9 -15.162 -10.032 -10.516 1.00 0.66 N ATOM 94 CA THR A 9 -14.599 -11.417 -10.534 1.00 0.78 C ATOM 95 C THR A 9 -15.638 -12.398 -9.979 1.00 0.85 C ATOM 96 O THR A 9 -15.972 -13.380 -10.620 1.00 1.04 O ATOM 97 CB THR A 9 -13.324 -11.472 -9.680 1.00 0.85 C ATOM 98 OG1 THR A 9 -12.380 -10.529 -10.177 1.00 0.90 O ATOM 99 CG2 THR A 9 -12.722 -12.879 -9.743 1.00 1.08 C ATOM 0 H THR A 9 -15.059 -9.536 -9.631 1.00 0.66 H new ATOM 0 HA THR A 9 -14.352 -11.693 -11.559 1.00 0.78 H new ATOM 0 HB THR A 9 -13.571 -11.231 -8.646 1.00 0.85 H new ATOM 0 HG1 THR A 9 -11.595 -11.003 -10.522 1.00 0.90 H new ATOM 0 HG21 THR A 9 -11.817 -12.915 -9.136 1.00 1.08 H new ATOM 0 HG22 THR A 9 -13.444 -13.601 -9.362 1.00 1.08 H new ATOM 0 HG23 THR A 9 -12.476 -13.123 -10.776 1.00 1.08 H new ATOM 107 N ALA A 10 -16.145 -12.144 -8.795 1.00 0.84 N ATOM 108 CA ALA A 10 -17.161 -13.061 -8.192 1.00 1.00 C ATOM 109 C ALA A 10 -18.485 -12.315 -8.001 1.00 0.96 C ATOM 110 O ALA A 10 -19.513 -12.729 -8.507 1.00 1.05 O ATOM 111 CB ALA A 10 -16.655 -13.562 -6.837 1.00 1.22 C ATOM 0 H ALA A 10 -15.897 -11.339 -8.220 1.00 0.84 H new ATOM 0 HA ALA A 10 -17.321 -13.909 -8.858 1.00 1.00 H new ATOM 0 HB1 ALA A 10 -17.395 -14.230 -6.397 1.00 1.22 H new ATOM 0 HB2 ALA A 10 -15.717 -14.100 -6.975 1.00 1.22 H new ATOM 0 HB3 ALA A 10 -16.492 -12.713 -6.173 1.00 1.22 H new ATOM 117 N GLY A 11 -18.466 -11.223 -7.273 1.00 1.03 N ATOM 118 CA GLY A 11 -19.720 -10.444 -7.040 1.00 1.12 C ATOM 119 C GLY A 11 -19.442 -8.952 -7.244 1.00 1.06 C ATOM 120 O GLY A 11 -19.838 -8.372 -8.238 1.00 1.19 O ATOM 0 H GLY A 11 -17.632 -10.838 -6.830 1.00 1.03 H new ATOM 0 HA2 GLY A 11 -20.499 -10.776 -7.726 1.00 1.12 H new ATOM 0 HA3 GLY A 11 -20.088 -10.621 -6.029 1.00 1.12 H new ATOM 124 N SER A 12 -18.766 -8.333 -6.307 1.00 0.98 N ATOM 125 CA SER A 12 -18.451 -6.876 -6.431 1.00 0.97 C ATOM 126 C SER A 12 -17.053 -6.602 -5.849 1.00 0.82 C ATOM 127 O SER A 12 -16.828 -5.602 -5.187 1.00 0.89 O ATOM 128 CB SER A 12 -19.511 -6.067 -5.670 1.00 1.09 C ATOM 129 OG SER A 12 -20.230 -5.253 -6.586 1.00 1.27 O ATOM 0 H SER A 12 -18.417 -8.777 -5.457 1.00 0.98 H new ATOM 0 HA SER A 12 -18.459 -6.581 -7.480 1.00 0.97 H new ATOM 0 HB2 SER A 12 -20.194 -6.739 -5.150 1.00 1.09 H new ATOM 0 HB3 SER A 12 -19.035 -5.446 -4.911 1.00 1.09 H new ATOM 0 HG SER A 12 -20.908 -4.737 -6.102 1.00 1.27 H new ATOM 135 N LYS A 13 -16.112 -7.485 -6.097 1.00 0.70 N ATOM 136 CA LYS A 13 -14.727 -7.285 -5.565 1.00 0.58 C ATOM 137 C LYS A 13 -13.710 -8.066 -6.410 1.00 0.51 C ATOM 138 O LYS A 13 -14.065 -8.925 -7.199 1.00 0.60 O ATOM 139 CB LYS A 13 -14.656 -7.770 -4.108 1.00 0.55 C ATOM 140 CG LYS A 13 -15.258 -9.175 -3.992 1.00 0.62 C ATOM 141 CD LYS A 13 -14.213 -10.139 -3.425 1.00 0.76 C ATOM 142 CE LYS A 13 -14.366 -11.508 -4.093 1.00 0.81 C ATOM 143 NZ LYS A 13 -13.144 -11.824 -4.893 1.00 1.15 N ATOM 0 H LYS A 13 -16.245 -8.335 -6.645 1.00 0.70 H new ATOM 0 HA LYS A 13 -14.487 -6.223 -5.612 1.00 0.58 H new ATOM 0 HB2 LYS A 13 -13.620 -7.781 -3.770 1.00 0.55 H new ATOM 0 HB3 LYS A 13 -15.196 -7.080 -3.460 1.00 0.55 H new ATOM 0 HG2 LYS A 13 -16.135 -9.153 -3.345 1.00 0.62 H new ATOM 0 HG3 LYS A 13 -15.592 -9.520 -4.971 1.00 0.62 H new ATOM 0 HD2 LYS A 13 -13.210 -9.748 -3.598 1.00 0.76 H new ATOM 0 HD3 LYS A 13 -14.337 -10.233 -2.346 1.00 0.76 H new ATOM 0 HE2 LYS A 13 -14.524 -12.276 -3.336 1.00 0.81 H new ATOM 0 HE3 LYS A 13 -15.244 -11.511 -4.738 1.00 0.81 H new ATOM 0 HZ1 LYS A 13 -13.336 -11.657 -5.901 1.00 1.15 H new ATOM 0 HZ2 LYS A 13 -12.360 -11.214 -4.585 1.00 1.15 H new ATOM 0 HZ3 LYS A 13 -12.884 -12.821 -4.751 1.00 1.15 H new ATOM 157 N VAL A 14 -12.445 -7.767 -6.234 1.00 0.47 N ATOM 158 CA VAL A 14 -11.371 -8.471 -7.001 1.00 0.46 C ATOM 159 C VAL A 14 -10.369 -9.092 -6.019 1.00 0.44 C ATOM 160 O VAL A 14 -9.895 -8.439 -5.105 1.00 0.48 O ATOM 161 CB VAL A 14 -10.642 -7.477 -7.917 1.00 0.47 C ATOM 162 CG1 VAL A 14 -11.514 -7.178 -9.137 1.00 0.50 C ATOM 163 CG2 VAL A 14 -10.359 -6.172 -7.161 1.00 0.49 C ATOM 0 H VAL A 14 -12.108 -7.057 -5.584 1.00 0.47 H new ATOM 0 HA VAL A 14 -11.821 -9.254 -7.612 1.00 0.46 H new ATOM 0 HB VAL A 14 -9.697 -7.915 -8.237 1.00 0.47 H new ATOM 0 HG11 VAL A 14 -10.998 -6.473 -9.789 1.00 0.50 H new ATOM 0 HG12 VAL A 14 -11.706 -8.102 -9.682 1.00 0.50 H new ATOM 0 HG13 VAL A 14 -12.460 -6.746 -8.811 1.00 0.50 H new ATOM 0 HG21 VAL A 14 -9.842 -5.475 -7.820 1.00 0.49 H new ATOM 0 HG22 VAL A 14 -11.300 -5.731 -6.832 1.00 0.49 H new ATOM 0 HG23 VAL A 14 -9.734 -6.382 -6.293 1.00 0.49 H new ATOM 173 N THR A 15 -10.049 -10.350 -6.204 1.00 0.44 N ATOM 174 CA THR A 15 -9.079 -11.028 -5.286 1.00 0.44 C ATOM 175 C THR A 15 -7.687 -11.080 -5.945 1.00 0.39 C ATOM 176 O THR A 15 -7.567 -11.148 -7.155 1.00 0.43 O ATOM 177 CB THR A 15 -9.579 -12.451 -4.976 1.00 0.53 C ATOM 178 OG1 THR A 15 -8.781 -13.022 -3.944 1.00 0.61 O ATOM 179 CG2 THR A 15 -9.508 -13.329 -6.233 1.00 0.60 C ATOM 0 H THR A 15 -10.418 -10.938 -6.952 1.00 0.44 H new ATOM 0 HA THR A 15 -9.002 -10.467 -4.354 1.00 0.44 H new ATOM 0 HB THR A 15 -10.617 -12.397 -4.647 1.00 0.53 H new ATOM 0 HG1 THR A 15 -9.163 -12.794 -3.071 1.00 0.61 H new ATOM 0 HG21 THR A 15 -9.865 -14.332 -5.997 1.00 0.60 H new ATOM 0 HG22 THR A 15 -10.132 -12.896 -7.015 1.00 0.60 H new ATOM 0 HG23 THR A 15 -8.476 -13.384 -6.581 1.00 0.60 H new ATOM 187 N PHE A 16 -6.636 -11.042 -5.151 1.00 0.37 N ATOM 188 CA PHE A 16 -5.249 -11.085 -5.721 1.00 0.35 C ATOM 189 C PHE A 16 -4.368 -12.027 -4.894 1.00 0.37 C ATOM 190 O PHE A 16 -4.354 -11.977 -3.676 1.00 0.46 O ATOM 191 CB PHE A 16 -4.620 -9.685 -5.696 1.00 0.37 C ATOM 192 CG PHE A 16 -5.519 -8.694 -6.394 1.00 0.34 C ATOM 193 CD1 PHE A 16 -5.625 -8.709 -7.789 1.00 0.40 C ATOM 194 CD2 PHE A 16 -6.244 -7.758 -5.646 1.00 0.41 C ATOM 195 CE1 PHE A 16 -6.456 -7.790 -8.438 1.00 0.43 C ATOM 196 CE2 PHE A 16 -7.075 -6.839 -6.295 1.00 0.44 C ATOM 197 CZ PHE A 16 -7.180 -6.855 -7.691 1.00 0.40 C ATOM 0 H PHE A 16 -6.682 -10.983 -4.134 1.00 0.37 H new ATOM 0 HA PHE A 16 -5.315 -11.443 -6.748 1.00 0.35 H new ATOM 0 HB2 PHE A 16 -4.454 -9.372 -4.665 1.00 0.37 H new ATOM 0 HB3 PHE A 16 -3.645 -9.708 -6.183 1.00 0.37 H new ATOM 0 HD1 PHE A 16 -5.065 -9.431 -8.365 1.00 0.40 H new ATOM 0 HD2 PHE A 16 -6.162 -7.746 -4.569 1.00 0.41 H new ATOM 0 HE1 PHE A 16 -6.539 -7.802 -9.515 1.00 0.43 H new ATOM 0 HE2 PHE A 16 -7.636 -6.117 -5.719 1.00 0.44 H new ATOM 0 HZ PHE A 16 -7.821 -6.144 -8.192 1.00 0.40 H new ATOM 207 N LYS A 17 -3.612 -12.865 -5.558 1.00 0.36 N ATOM 208 CA LYS A 17 -2.694 -13.803 -4.846 1.00 0.38 C ATOM 209 C LYS A 17 -1.259 -13.323 -5.066 1.00 0.37 C ATOM 210 O LYS A 17 -0.771 -13.301 -6.182 1.00 0.46 O ATOM 211 CB LYS A 17 -2.846 -15.215 -5.416 1.00 0.46 C ATOM 212 CG LYS A 17 -4.270 -15.728 -5.198 1.00 0.58 C ATOM 213 CD LYS A 17 -4.554 -16.830 -6.221 1.00 0.96 C ATOM 214 CE LYS A 17 -5.847 -17.571 -5.861 1.00 1.17 C ATOM 215 NZ LYS A 17 -6.994 -16.615 -5.838 1.00 1.41 N ATOM 0 H LYS A 17 -3.592 -12.939 -6.575 1.00 0.36 H new ATOM 0 HA LYS A 17 -2.934 -13.824 -3.783 1.00 0.38 H new ATOM 0 HB2 LYS A 17 -2.613 -15.211 -6.481 1.00 0.46 H new ATOM 0 HB3 LYS A 17 -2.134 -15.886 -4.936 1.00 0.46 H new ATOM 0 HG2 LYS A 17 -4.382 -16.114 -4.185 1.00 0.58 H new ATOM 0 HG3 LYS A 17 -4.987 -14.914 -5.310 1.00 0.58 H new ATOM 0 HD2 LYS A 17 -4.641 -16.397 -7.217 1.00 0.96 H new ATOM 0 HD3 LYS A 17 -3.721 -17.532 -6.250 1.00 0.96 H new ATOM 0 HE2 LYS A 17 -6.037 -18.362 -6.587 1.00 1.17 H new ATOM 0 HE3 LYS A 17 -5.742 -18.050 -4.887 1.00 1.17 H new ATOM 0 HZ1 LYS A 17 -7.888 -17.146 -5.813 1.00 1.41 H new ATOM 0 HZ2 LYS A 17 -6.926 -16.012 -4.994 1.00 1.41 H new ATOM 0 HZ3 LYS A 17 -6.968 -16.021 -6.691 1.00 1.41 H new ATOM 229 N ILE A 18 -0.588 -12.921 -4.017 1.00 0.35 N ATOM 230 CA ILE A 18 0.811 -12.419 -4.163 1.00 0.34 C ATOM 231 C ILE A 18 1.765 -13.293 -3.342 1.00 0.37 C ATOM 232 O ILE A 18 1.635 -13.406 -2.136 1.00 0.47 O ATOM 233 CB ILE A 18 0.880 -10.963 -3.678 1.00 0.36 C ATOM 234 CG1 ILE A 18 -0.086 -10.101 -4.496 1.00 0.40 C ATOM 235 CG2 ILE A 18 2.299 -10.420 -3.852 1.00 0.48 C ATOM 236 CD1 ILE A 18 -1.213 -9.607 -3.590 1.00 0.57 C ATOM 0 H ILE A 18 -0.950 -12.919 -3.063 1.00 0.35 H new ATOM 0 HA ILE A 18 1.108 -12.465 -5.211 1.00 0.34 H new ATOM 0 HB ILE A 18 0.604 -10.930 -2.624 1.00 0.36 H new ATOM 0 HG12 ILE A 18 0.444 -9.254 -4.931 1.00 0.40 H new ATOM 0 HG13 ILE A 18 -0.496 -10.680 -5.324 1.00 0.40 H new ATOM 0 HG21 ILE A 18 2.338 -9.387 -3.506 1.00 0.48 H new ATOM 0 HG22 ILE A 18 2.994 -11.025 -3.270 1.00 0.48 H new ATOM 0 HG23 ILE A 18 2.577 -10.460 -4.905 1.00 0.48 H new ATOM 0 HD11 ILE A 18 -1.903 -8.993 -4.169 1.00 0.57 H new ATOM 0 HD12 ILE A 18 -1.748 -10.462 -3.176 1.00 0.57 H new ATOM 0 HD13 ILE A 18 -0.793 -9.014 -2.778 1.00 0.57 H new ATOM 248 N THR A 19 2.724 -13.903 -3.996 1.00 0.34 N ATOM 249 CA THR A 19 3.710 -14.771 -3.278 1.00 0.37 C ATOM 250 C THR A 19 5.099 -14.119 -3.352 1.00 0.34 C ATOM 251 O THR A 19 5.403 -13.391 -4.281 1.00 0.40 O ATOM 252 CB THR A 19 3.742 -16.163 -3.930 1.00 0.41 C ATOM 253 OG1 THR A 19 4.491 -17.051 -3.111 1.00 0.53 O ATOM 254 CG2 THR A 19 4.384 -16.080 -5.319 1.00 0.42 C ATOM 0 H THR A 19 2.867 -13.836 -5.004 1.00 0.34 H new ATOM 0 HA THR A 19 3.418 -14.879 -2.234 1.00 0.37 H new ATOM 0 HB THR A 19 2.722 -16.532 -4.034 1.00 0.41 H new ATOM 0 HG1 THR A 19 5.378 -17.190 -3.505 1.00 0.53 H new ATOM 0 HG21 THR A 19 4.401 -17.071 -5.772 1.00 0.42 H new ATOM 0 HG22 THR A 19 3.804 -15.404 -5.948 1.00 0.42 H new ATOM 0 HG23 THR A 19 5.403 -15.705 -5.227 1.00 0.42 H new ATOM 262 N LEU A 20 5.940 -14.370 -2.376 1.00 0.48 N ATOM 263 CA LEU A 20 7.308 -13.758 -2.380 1.00 0.49 C ATOM 264 C LEU A 20 8.154 -14.364 -3.509 1.00 0.45 C ATOM 265 O LEU A 20 8.223 -15.572 -3.667 1.00 0.66 O ATOM 266 CB LEU A 20 7.994 -14.018 -1.033 1.00 0.70 C ATOM 267 CG LEU A 20 8.464 -12.688 -0.432 1.00 0.82 C ATOM 268 CD1 LEU A 20 8.666 -12.847 1.078 1.00 1.04 C ATOM 269 CD2 LEU A 20 9.788 -12.269 -1.079 1.00 0.83 C ATOM 0 H LEU A 20 5.738 -14.972 -1.577 1.00 0.48 H new ATOM 0 HA LEU A 20 7.214 -12.684 -2.541 1.00 0.49 H new ATOM 0 HB2 LEU A 20 7.303 -14.513 -0.351 1.00 0.70 H new ATOM 0 HB3 LEU A 20 8.843 -14.688 -1.169 1.00 0.70 H new ATOM 0 HG LEU A 20 7.709 -11.924 -0.620 1.00 0.82 H new ATOM 0 HD11 LEU A 20 9.000 -11.900 1.502 1.00 1.04 H new ATOM 0 HD12 LEU A 20 7.724 -13.140 1.542 1.00 1.04 H new ATOM 0 HD13 LEU A 20 9.418 -13.614 1.266 1.00 1.04 H new ATOM 0 HD21 LEU A 20 10.119 -11.323 -0.650 1.00 0.83 H new ATOM 0 HD22 LEU A 20 10.541 -13.035 -0.895 1.00 0.83 H new ATOM 0 HD23 LEU A 20 9.646 -12.150 -2.153 1.00 0.83 H new ATOM 281 N THR A 21 8.803 -13.528 -4.288 1.00 0.38 N ATOM 282 CA THR A 21 9.660 -14.032 -5.410 1.00 0.47 C ATOM 283 C THR A 21 11.058 -14.370 -4.876 1.00 0.59 C ATOM 284 O THR A 21 11.631 -15.386 -5.226 1.00 0.79 O ATOM 285 CB THR A 21 9.776 -12.960 -6.504 1.00 0.51 C ATOM 286 OG1 THR A 21 10.204 -11.729 -5.931 1.00 0.50 O ATOM 287 CG2 THR A 21 8.419 -12.764 -7.182 1.00 0.71 C ATOM 0 H THR A 21 8.775 -12.513 -4.193 1.00 0.38 H new ATOM 0 HA THR A 21 9.203 -14.927 -5.833 1.00 0.47 H new ATOM 0 HB THR A 21 10.506 -13.285 -7.245 1.00 0.51 H new ATOM 0 HG1 THR A 21 9.442 -11.284 -5.505 1.00 0.50 H new ATOM 0 HG21 THR A 21 8.506 -12.003 -7.957 1.00 0.71 H new ATOM 0 HG22 THR A 21 8.097 -13.704 -7.631 1.00 0.71 H new ATOM 0 HG23 THR A 21 7.685 -12.446 -6.442 1.00 0.71 H new ATOM 295 N SER A 22 11.606 -13.523 -4.031 1.00 0.60 N ATOM 296 CA SER A 22 12.966 -13.780 -3.463 1.00 0.83 C ATOM 297 C SER A 22 12.954 -15.095 -2.673 1.00 1.01 C ATOM 298 O SER A 22 13.879 -15.884 -2.757 1.00 1.22 O ATOM 299 CB SER A 22 13.360 -12.629 -2.530 1.00 0.96 C ATOM 300 OG SER A 22 14.719 -12.283 -2.759 1.00 1.29 O ATOM 0 H SER A 22 11.164 -12.661 -3.711 1.00 0.60 H new ATOM 0 HA SER A 22 13.688 -13.851 -4.277 1.00 0.83 H new ATOM 0 HB2 SER A 22 12.718 -11.766 -2.707 1.00 0.96 H new ATOM 0 HB3 SER A 22 13.218 -12.924 -1.490 1.00 0.96 H new ATOM 0 HG SER A 22 14.973 -11.546 -2.165 1.00 1.29 H new ATOM 306 N ASP A 23 11.908 -15.336 -1.915 1.00 1.00 N ATOM 307 CA ASP A 23 11.818 -16.599 -1.121 1.00 1.22 C ATOM 308 C ASP A 23 11.459 -17.769 -2.051 1.00 1.24 C ATOM 309 O ASP A 23 10.914 -17.565 -3.121 1.00 1.10 O ATOM 310 CB ASP A 23 10.736 -16.455 -0.047 1.00 1.25 C ATOM 311 CG ASP A 23 11.337 -15.826 1.213 1.00 1.39 C ATOM 312 OD1 ASP A 23 11.399 -14.608 1.275 1.00 1.35 O ATOM 313 OD2 ASP A 23 11.723 -16.573 2.098 1.00 1.66 O ATOM 0 H ASP A 23 11.111 -14.707 -1.814 1.00 1.00 H new ATOM 0 HA ASP A 23 12.779 -16.793 -0.646 1.00 1.22 H new ATOM 0 HB2 ASP A 23 9.920 -15.836 -0.420 1.00 1.25 H new ATOM 0 HB3 ASP A 23 10.313 -17.431 0.189 1.00 1.25 H new ATOM 318 N PRO A 24 11.777 -18.967 -1.609 1.00 1.47 N ATOM 319 CA PRO A 24 11.503 -20.197 -2.375 1.00 1.58 C ATOM 320 C PRO A 24 10.015 -20.569 -2.279 1.00 1.45 C ATOM 321 O PRO A 24 9.574 -21.162 -1.310 1.00 1.46 O ATOM 322 CB PRO A 24 12.393 -21.248 -1.701 1.00 1.90 C ATOM 323 CG PRO A 24 12.688 -20.723 -0.276 1.00 1.95 C ATOM 324 CD PRO A 24 12.438 -19.203 -0.305 1.00 1.70 C ATOM 0 HA PRO A 24 11.714 -20.100 -3.440 1.00 1.58 H new ATOM 0 HB2 PRO A 24 11.891 -22.215 -1.662 1.00 1.90 H new ATOM 0 HB3 PRO A 24 13.317 -21.391 -2.261 1.00 1.90 H new ATOM 0 HG2 PRO A 24 12.043 -21.208 0.457 1.00 1.95 H new ATOM 0 HG3 PRO A 24 13.717 -20.941 0.012 1.00 1.95 H new ATOM 0 HD2 PRO A 24 11.805 -18.888 0.525 1.00 1.70 H new ATOM 0 HD3 PRO A 24 13.371 -18.645 -0.225 1.00 1.70 H new ATOM 332 N LYS A 25 9.248 -20.211 -3.288 1.00 1.38 N ATOM 333 CA LYS A 25 7.780 -20.517 -3.304 1.00 1.27 C ATOM 334 C LYS A 25 7.079 -19.790 -2.144 1.00 1.15 C ATOM 335 O LYS A 25 6.605 -18.681 -2.311 1.00 0.99 O ATOM 336 CB LYS A 25 7.559 -22.035 -3.205 1.00 1.38 C ATOM 337 CG LYS A 25 7.124 -22.575 -4.569 1.00 1.44 C ATOM 338 CD LYS A 25 5.615 -22.383 -4.738 1.00 1.92 C ATOM 339 CE LYS A 25 5.348 -21.457 -5.926 1.00 2.23 C ATOM 340 NZ LYS A 25 4.553 -20.279 -5.472 1.00 2.63 N ATOM 0 H LYS A 25 9.585 -19.713 -4.112 1.00 1.38 H new ATOM 0 HA LYS A 25 7.351 -20.165 -4.242 1.00 1.27 H new ATOM 0 HB2 LYS A 25 8.477 -22.527 -2.883 1.00 1.38 H new ATOM 0 HB3 LYS A 25 6.799 -22.255 -2.455 1.00 1.38 H new ATOM 0 HG2 LYS A 25 7.658 -22.056 -5.365 1.00 1.44 H new ATOM 0 HG3 LYS A 25 7.378 -23.632 -4.651 1.00 1.44 H new ATOM 0 HD2 LYS A 25 5.131 -23.346 -4.898 1.00 1.92 H new ATOM 0 HD3 LYS A 25 5.188 -21.959 -3.829 1.00 1.92 H new ATOM 0 HE2 LYS A 25 6.291 -21.126 -6.362 1.00 2.23 H new ATOM 0 HE3 LYS A 25 4.808 -21.995 -6.705 1.00 2.23 H new ATOM 0 HZ1 LYS A 25 4.372 -19.650 -6.280 1.00 2.63 H new ATOM 0 HZ2 LYS A 25 3.648 -20.603 -5.076 1.00 2.63 H new ATOM 0 HZ3 LYS A 25 5.084 -19.762 -4.743 1.00 2.63 H new ATOM 354 N LEU A 26 7.015 -20.402 -0.974 1.00 1.25 N ATOM 355 CA LEU A 26 6.348 -19.754 0.205 1.00 1.20 C ATOM 356 C LEU A 26 4.836 -19.607 -0.054 1.00 1.02 C ATOM 357 O LEU A 26 4.384 -19.707 -1.182 1.00 0.97 O ATOM 358 CB LEU A 26 6.974 -18.373 0.457 1.00 1.17 C ATOM 359 CG LEU A 26 7.783 -18.404 1.757 1.00 1.39 C ATOM 360 CD1 LEU A 26 9.096 -19.161 1.533 1.00 1.51 C ATOM 361 CD2 LEU A 26 8.090 -16.968 2.196 1.00 1.44 C ATOM 0 H LEU A 26 7.400 -21.328 -0.789 1.00 1.25 H new ATOM 0 HA LEU A 26 6.493 -20.381 1.085 1.00 1.20 H new ATOM 0 HB2 LEU A 26 7.619 -18.097 -0.378 1.00 1.17 H new ATOM 0 HB3 LEU A 26 6.193 -17.615 0.521 1.00 1.17 H new ATOM 0 HG LEU A 26 7.205 -18.910 2.531 1.00 1.39 H new ATOM 0 HD11 LEU A 26 9.668 -19.180 2.461 1.00 1.51 H new ATOM 0 HD12 LEU A 26 8.878 -20.182 1.220 1.00 1.51 H new ATOM 0 HD13 LEU A 26 9.677 -18.660 0.759 1.00 1.51 H new ATOM 0 HD21 LEU A 26 8.666 -16.986 3.121 1.00 1.44 H new ATOM 0 HD22 LEU A 26 8.666 -16.465 1.419 1.00 1.44 H new ATOM 0 HD23 LEU A 26 7.156 -16.430 2.360 1.00 1.44 H new ATOM 373 N PRO A 27 4.093 -19.375 1.008 1.00 0.96 N ATOM 374 CA PRO A 27 2.626 -19.212 0.935 1.00 0.82 C ATOM 375 C PRO A 27 2.262 -17.823 0.393 1.00 0.68 C ATOM 376 O PRO A 27 2.811 -16.818 0.811 1.00 1.00 O ATOM 377 CB PRO A 27 2.171 -19.378 2.388 1.00 0.87 C ATOM 378 CG PRO A 27 3.403 -19.066 3.270 1.00 1.01 C ATOM 379 CD PRO A 27 4.643 -19.251 2.377 1.00 1.07 C ATOM 0 HA PRO A 27 2.149 -19.926 0.264 1.00 0.82 H new ATOM 0 HB2 PRO A 27 1.348 -18.701 2.617 1.00 0.87 H new ATOM 0 HB3 PRO A 27 1.810 -20.391 2.569 1.00 0.87 H new ATOM 0 HG2 PRO A 27 3.354 -18.049 3.658 1.00 1.01 H new ATOM 0 HG3 PRO A 27 3.442 -19.734 4.130 1.00 1.01 H new ATOM 0 HD2 PRO A 27 5.321 -18.402 2.458 1.00 1.07 H new ATOM 0 HD3 PRO A 27 5.208 -20.139 2.660 1.00 1.07 H new ATOM 387 N PHE A 28 1.338 -17.768 -0.538 1.00 0.46 N ATOM 388 CA PHE A 28 0.923 -16.453 -1.124 1.00 0.35 C ATOM 389 C PHE A 28 -0.185 -15.822 -0.272 1.00 0.35 C ATOM 390 O PHE A 28 -0.929 -16.508 0.410 1.00 0.45 O ATOM 391 CB PHE A 28 0.419 -16.648 -2.567 1.00 0.42 C ATOM 392 CG PHE A 28 -0.630 -17.741 -2.626 1.00 0.56 C ATOM 393 CD1 PHE A 28 -1.963 -17.457 -2.304 1.00 0.67 C ATOM 394 CD2 PHE A 28 -0.264 -19.038 -3.008 1.00 0.79 C ATOM 395 CE1 PHE A 28 -2.929 -18.469 -2.361 1.00 0.88 C ATOM 396 CE2 PHE A 28 -1.231 -20.050 -3.065 1.00 1.00 C ATOM 397 CZ PHE A 28 -2.562 -19.766 -2.743 1.00 1.01 C ATOM 0 H PHE A 28 0.852 -18.580 -0.918 1.00 0.46 H new ATOM 0 HA PHE A 28 1.788 -15.790 -1.135 1.00 0.35 H new ATOM 0 HB2 PHE A 28 -0.001 -15.714 -2.940 1.00 0.42 H new ATOM 0 HB3 PHE A 28 1.255 -16.904 -3.218 1.00 0.42 H new ATOM 0 HD1 PHE A 28 -2.246 -16.457 -2.011 1.00 0.67 H new ATOM 0 HD2 PHE A 28 0.763 -19.258 -3.258 1.00 0.79 H new ATOM 0 HE1 PHE A 28 -3.956 -18.250 -2.111 1.00 0.88 H new ATOM 0 HE2 PHE A 28 -0.948 -21.050 -3.358 1.00 1.00 H new ATOM 0 HZ PHE A 28 -3.307 -20.547 -2.789 1.00 1.01 H new ATOM 407 N LYS A 29 -0.298 -14.515 -0.312 1.00 0.36 N ATOM 408 CA LYS A 29 -1.351 -13.814 0.483 1.00 0.41 C ATOM 409 C LYS A 29 -2.557 -13.517 -0.418 1.00 0.34 C ATOM 410 O LYS A 29 -2.410 -13.023 -1.524 1.00 0.36 O ATOM 411 CB LYS A 29 -0.786 -12.500 1.036 1.00 0.54 C ATOM 412 CG LYS A 29 -0.235 -12.731 2.446 1.00 0.69 C ATOM 413 CD LYS A 29 1.286 -12.887 2.387 1.00 0.74 C ATOM 414 CE LYS A 29 1.761 -13.722 3.578 1.00 0.98 C ATOM 415 NZ LYS A 29 2.526 -14.904 3.086 1.00 1.18 N ATOM 0 H LYS A 29 0.300 -13.902 -0.866 1.00 0.36 H new ATOM 0 HA LYS A 29 -1.665 -14.449 1.312 1.00 0.41 H new ATOM 0 HB2 LYS A 29 0.003 -12.128 0.383 1.00 0.54 H new ATOM 0 HB3 LYS A 29 -1.566 -11.738 1.059 1.00 0.54 H new ATOM 0 HG2 LYS A 29 -0.499 -11.894 3.092 1.00 0.69 H new ATOM 0 HG3 LYS A 29 -0.685 -13.623 2.881 1.00 0.69 H new ATOM 0 HD2 LYS A 29 1.577 -13.368 1.453 1.00 0.74 H new ATOM 0 HD3 LYS A 29 1.763 -11.907 2.403 1.00 0.74 H new ATOM 0 HE2 LYS A 29 2.388 -13.117 4.232 1.00 0.98 H new ATOM 0 HE3 LYS A 29 0.906 -14.050 4.170 1.00 0.98 H new ATOM 0 HZ1 LYS A 29 2.863 -15.462 3.897 1.00 1.18 H new ATOM 0 HZ2 LYS A 29 1.909 -15.494 2.492 1.00 1.18 H new ATOM 0 HZ3 LYS A 29 3.340 -14.582 2.525 1.00 1.18 H new ATOM 429 N VAL A 30 -3.746 -13.813 0.052 1.00 0.34 N ATOM 430 CA VAL A 30 -4.975 -13.553 -0.764 1.00 0.34 C ATOM 431 C VAL A 30 -5.594 -12.226 -0.311 1.00 0.35 C ATOM 432 O VAL A 30 -6.025 -12.087 0.821 1.00 0.49 O ATOM 433 CB VAL A 30 -5.984 -14.694 -0.563 1.00 0.46 C ATOM 434 CG1 VAL A 30 -7.198 -14.476 -1.474 1.00 0.63 C ATOM 435 CG2 VAL A 30 -5.326 -16.035 -0.910 1.00 0.52 C ATOM 0 H VAL A 30 -3.918 -14.225 0.969 1.00 0.34 H new ATOM 0 HA VAL A 30 -4.714 -13.498 -1.821 1.00 0.34 H new ATOM 0 HB VAL A 30 -6.306 -14.705 0.478 1.00 0.46 H new ATOM 0 HG11 VAL A 30 -7.912 -15.287 -1.329 1.00 0.63 H new ATOM 0 HG12 VAL A 30 -7.673 -13.526 -1.227 1.00 0.63 H new ATOM 0 HG13 VAL A 30 -6.874 -14.460 -2.515 1.00 0.63 H new ATOM 0 HG21 VAL A 30 -6.045 -16.841 -0.766 1.00 0.52 H new ATOM 0 HG22 VAL A 30 -4.999 -16.022 -1.950 1.00 0.52 H new ATOM 0 HG23 VAL A 30 -4.465 -16.197 -0.261 1.00 0.52 H new ATOM 445 N LEU A 31 -5.626 -11.248 -1.185 1.00 0.34 N ATOM 446 CA LEU A 31 -6.199 -9.920 -0.816 1.00 0.40 C ATOM 447 C LEU A 31 -7.492 -9.672 -1.597 1.00 0.40 C ATOM 448 O LEU A 31 -7.476 -9.477 -2.800 1.00 0.44 O ATOM 449 CB LEU A 31 -5.181 -8.823 -1.143 1.00 0.49 C ATOM 450 CG LEU A 31 -4.405 -8.451 0.124 1.00 0.70 C ATOM 451 CD1 LEU A 31 -2.954 -8.115 -0.239 1.00 0.82 C ATOM 452 CD2 LEU A 31 -5.065 -7.236 0.782 1.00 1.14 C ATOM 0 H LEU A 31 -5.278 -11.316 -2.141 1.00 0.34 H new ATOM 0 HA LEU A 31 -6.423 -9.907 0.251 1.00 0.40 H new ATOM 0 HB2 LEU A 31 -4.493 -9.169 -1.915 1.00 0.49 H new ATOM 0 HB3 LEU A 31 -5.691 -7.946 -1.540 1.00 0.49 H new ATOM 0 HG LEU A 31 -4.415 -9.292 0.817 1.00 0.70 H new ATOM 0 HD11 LEU A 31 -2.405 -7.851 0.665 1.00 0.82 H new ATOM 0 HD12 LEU A 31 -2.486 -8.981 -0.708 1.00 0.82 H new ATOM 0 HD13 LEU A 31 -2.938 -7.274 -0.932 1.00 0.82 H new ATOM 0 HD21 LEU A 31 -4.516 -6.968 1.684 1.00 1.14 H new ATOM 0 HD22 LEU A 31 -5.055 -6.396 0.088 1.00 1.14 H new ATOM 0 HD23 LEU A 31 -6.095 -7.478 1.043 1.00 1.14 H new ATOM 464 N SER A 32 -8.610 -9.671 -0.912 1.00 0.46 N ATOM 465 CA SER A 32 -9.918 -9.428 -1.591 1.00 0.51 C ATOM 466 C SER A 32 -10.388 -8.003 -1.279 1.00 0.54 C ATOM 467 O SER A 32 -10.678 -7.669 -0.142 1.00 0.67 O ATOM 468 CB SER A 32 -10.955 -10.438 -1.087 1.00 0.61 C ATOM 469 OG SER A 32 -10.852 -11.636 -1.846 1.00 0.94 O ATOM 0 H SER A 32 -8.671 -9.829 0.094 1.00 0.46 H new ATOM 0 HA SER A 32 -9.801 -9.546 -2.668 1.00 0.51 H new ATOM 0 HB2 SER A 32 -10.791 -10.648 -0.030 1.00 0.61 H new ATOM 0 HB3 SER A 32 -11.958 -10.022 -1.177 1.00 0.61 H new ATOM 0 HG SER A 32 -11.513 -12.285 -1.525 1.00 0.94 H new ATOM 475 N VAL A 33 -10.459 -7.163 -2.282 1.00 0.47 N ATOM 476 CA VAL A 33 -10.906 -5.750 -2.067 1.00 0.51 C ATOM 477 C VAL A 33 -12.004 -5.401 -3.081 1.00 0.50 C ATOM 478 O VAL A 33 -12.112 -6.035 -4.112 1.00 0.50 O ATOM 479 CB VAL A 33 -9.715 -4.796 -2.249 1.00 0.48 C ATOM 480 CG1 VAL A 33 -8.729 -4.976 -1.091 1.00 0.67 C ATOM 481 CG2 VAL A 33 -9.003 -5.092 -3.576 1.00 0.44 C ATOM 0 H VAL A 33 -10.225 -7.396 -3.247 1.00 0.47 H new ATOM 0 HA VAL A 33 -11.299 -5.645 -1.056 1.00 0.51 H new ATOM 0 HB VAL A 33 -10.082 -3.770 -2.260 1.00 0.48 H new ATOM 0 HG11 VAL A 33 -7.885 -4.298 -1.223 1.00 0.67 H new ATOM 0 HG12 VAL A 33 -9.230 -4.753 -0.149 1.00 0.67 H new ATOM 0 HG13 VAL A 33 -8.369 -6.005 -1.076 1.00 0.67 H new ATOM 0 HG21 VAL A 33 -8.160 -4.411 -3.697 1.00 0.44 H new ATOM 0 HG22 VAL A 33 -8.641 -6.120 -3.573 1.00 0.44 H new ATOM 0 HG23 VAL A 33 -9.701 -4.955 -4.402 1.00 0.44 H new ATOM 491 N PRO A 34 -12.790 -4.398 -2.759 1.00 0.57 N ATOM 492 CA PRO A 34 -13.892 -3.944 -3.630 1.00 0.60 C ATOM 493 C PRO A 34 -13.347 -3.162 -4.832 1.00 0.48 C ATOM 494 O PRO A 34 -12.315 -2.514 -4.746 1.00 0.44 O ATOM 495 CB PRO A 34 -14.730 -3.046 -2.715 1.00 0.74 C ATOM 496 CG PRO A 34 -13.790 -2.588 -1.574 1.00 0.77 C ATOM 497 CD PRO A 34 -12.648 -3.618 -1.509 1.00 0.69 C ATOM 0 HA PRO A 34 -14.470 -4.766 -4.051 1.00 0.60 H new ATOM 0 HB2 PRO A 34 -15.121 -2.189 -3.264 1.00 0.74 H new ATOM 0 HB3 PRO A 34 -15.588 -3.589 -2.318 1.00 0.74 H new ATOM 0 HG2 PRO A 34 -13.401 -1.589 -1.770 1.00 0.77 H new ATOM 0 HG3 PRO A 34 -14.325 -2.542 -0.626 1.00 0.77 H new ATOM 0 HD2 PRO A 34 -11.675 -3.130 -1.452 1.00 0.69 H new ATOM 0 HD3 PRO A 34 -12.737 -4.256 -0.629 1.00 0.69 H new ATOM 505 N GLU A 35 -14.041 -3.225 -5.951 1.00 0.51 N ATOM 506 CA GLU A 35 -13.590 -2.498 -7.182 1.00 0.49 C ATOM 507 C GLU A 35 -13.632 -0.986 -6.925 1.00 0.45 C ATOM 508 O GLU A 35 -14.583 -0.302 -7.265 1.00 0.51 O ATOM 509 CB GLU A 35 -14.510 -2.859 -8.356 1.00 0.63 C ATOM 510 CG GLU A 35 -14.078 -4.205 -8.950 1.00 0.64 C ATOM 511 CD GLU A 35 -15.314 -5.006 -9.377 1.00 0.57 C ATOM 512 OE1 GLU A 35 -15.890 -4.672 -10.401 1.00 0.60 O ATOM 513 OE2 GLU A 35 -15.661 -5.941 -8.675 1.00 0.80 O ATOM 0 H GLU A 35 -14.906 -3.754 -6.061 1.00 0.51 H new ATOM 0 HA GLU A 35 -12.569 -2.790 -7.428 1.00 0.49 H new ATOM 0 HB2 GLU A 35 -15.545 -2.914 -8.017 1.00 0.63 H new ATOM 0 HB3 GLU A 35 -14.465 -2.082 -9.119 1.00 0.63 H new ATOM 0 HG2 GLU A 35 -13.425 -4.042 -9.808 1.00 0.64 H new ATOM 0 HG3 GLU A 35 -13.504 -4.769 -8.215 1.00 0.64 H new ATOM 520 N SER A 36 -12.596 -0.475 -6.308 1.00 0.42 N ATOM 521 CA SER A 36 -12.519 0.983 -5.987 1.00 0.45 C ATOM 522 C SER A 36 -11.189 1.267 -5.279 1.00 0.45 C ATOM 523 O SER A 36 -10.551 2.273 -5.529 1.00 0.55 O ATOM 524 CB SER A 36 -13.680 1.375 -5.065 1.00 0.50 C ATOM 525 OG SER A 36 -14.351 2.505 -5.608 1.00 0.76 O ATOM 0 H SER A 36 -11.786 -1.017 -6.008 1.00 0.42 H new ATOM 0 HA SER A 36 -12.583 1.563 -6.908 1.00 0.45 H new ATOM 0 HB2 SER A 36 -14.374 0.541 -4.961 1.00 0.50 H new ATOM 0 HB3 SER A 36 -13.306 1.605 -4.067 1.00 0.50 H new ATOM 0 HG SER A 36 -15.095 2.757 -5.022 1.00 0.76 H new ATOM 531 N THR A 37 -10.767 0.378 -4.400 1.00 0.42 N ATOM 532 CA THR A 37 -9.474 0.580 -3.675 1.00 0.49 C ATOM 533 C THR A 37 -8.315 0.562 -4.685 1.00 0.49 C ATOM 534 O THR A 37 -8.305 -0.246 -5.594 1.00 0.47 O ATOM 535 CB THR A 37 -9.272 -0.540 -2.642 1.00 0.53 C ATOM 536 OG1 THR A 37 -9.465 -1.805 -3.264 1.00 0.51 O ATOM 537 CG2 THR A 37 -10.274 -0.372 -1.498 1.00 0.70 C ATOM 0 H THR A 37 -11.267 -0.477 -4.157 1.00 0.42 H new ATOM 0 HA THR A 37 -9.497 1.540 -3.160 1.00 0.49 H new ATOM 0 HB THR A 37 -8.259 -0.484 -2.245 1.00 0.53 H new ATOM 0 HG1 THR A 37 -9.116 -1.776 -4.179 1.00 0.51 H new ATOM 0 HG21 THR A 37 -10.128 -1.167 -0.767 1.00 0.70 H new ATOM 0 HG22 THR A 37 -10.120 0.594 -1.018 1.00 0.70 H new ATOM 0 HG23 THR A 37 -11.289 -0.423 -1.893 1.00 0.70 H new ATOM 545 N PRO A 38 -7.375 1.462 -4.498 1.00 0.62 N ATOM 546 CA PRO A 38 -6.200 1.584 -5.384 1.00 0.71 C ATOM 547 C PRO A 38 -5.156 0.498 -5.082 1.00 0.63 C ATOM 548 O PRO A 38 -5.127 -0.075 -4.002 1.00 0.61 O ATOM 549 CB PRO A 38 -5.646 2.974 -5.055 1.00 0.94 C ATOM 550 CG PRO A 38 -6.165 3.327 -3.641 1.00 0.97 C ATOM 551 CD PRO A 38 -7.397 2.438 -3.388 1.00 0.78 C ATOM 0 HA PRO A 38 -6.455 1.461 -6.437 1.00 0.71 H new ATOM 0 HB2 PRO A 38 -4.556 2.974 -5.080 1.00 0.94 H new ATOM 0 HB3 PRO A 38 -5.981 3.709 -5.787 1.00 0.94 H new ATOM 0 HG2 PRO A 38 -5.396 3.146 -2.890 1.00 0.97 H new ATOM 0 HG3 PRO A 38 -6.430 4.382 -3.578 1.00 0.97 H new ATOM 0 HD2 PRO A 38 -7.337 1.941 -2.420 1.00 0.78 H new ATOM 0 HD3 PRO A 38 -8.317 3.023 -3.390 1.00 0.78 H new ATOM 559 N PHE A 39 -4.290 0.224 -6.033 1.00 0.61 N ATOM 560 CA PHE A 39 -3.228 -0.807 -5.822 1.00 0.53 C ATOM 561 C PHE A 39 -2.264 -0.342 -4.720 1.00 0.53 C ATOM 562 O PHE A 39 -1.556 -1.141 -4.142 1.00 0.50 O ATOM 563 CB PHE A 39 -2.453 -1.033 -7.126 1.00 0.53 C ATOM 564 CG PHE A 39 -1.763 -2.379 -7.084 1.00 0.47 C ATOM 565 CD1 PHE A 39 -2.506 -3.543 -6.847 1.00 0.47 C ATOM 566 CD2 PHE A 39 -0.379 -2.464 -7.284 1.00 0.53 C ATOM 567 CE1 PHE A 39 -1.867 -4.789 -6.810 1.00 0.46 C ATOM 568 CE2 PHE A 39 0.259 -3.709 -7.248 1.00 0.53 C ATOM 569 CZ PHE A 39 -0.485 -4.871 -7.011 1.00 0.46 C ATOM 0 H PHE A 39 -4.276 0.674 -6.948 1.00 0.61 H new ATOM 0 HA PHE A 39 -3.696 -1.743 -5.518 1.00 0.53 H new ATOM 0 HB2 PHE A 39 -3.133 -0.989 -7.977 1.00 0.53 H new ATOM 0 HB3 PHE A 39 -1.717 -0.241 -7.265 1.00 0.53 H new ATOM 0 HD1 PHE A 39 -3.573 -3.479 -6.693 1.00 0.47 H new ATOM 0 HD2 PHE A 39 0.196 -1.568 -7.466 1.00 0.53 H new ATOM 0 HE1 PHE A 39 -2.441 -5.685 -6.626 1.00 0.46 H new ATOM 0 HE2 PHE A 39 1.326 -3.773 -7.403 1.00 0.53 H new ATOM 0 HZ PHE A 39 0.008 -5.831 -6.983 1.00 0.46 H new ATOM 579 N THR A 40 -2.246 0.940 -4.412 1.00 0.60 N ATOM 580 CA THR A 40 -1.345 1.449 -3.328 1.00 0.62 C ATOM 581 C THR A 40 -1.730 0.769 -2.009 1.00 0.61 C ATOM 582 O THR A 40 -0.878 0.340 -1.252 1.00 0.62 O ATOM 583 CB THR A 40 -1.504 2.971 -3.181 1.00 0.70 C ATOM 584 OG1 THR A 40 -2.886 3.305 -3.101 1.00 0.73 O ATOM 585 CG2 THR A 40 -0.880 3.672 -4.389 1.00 0.76 C ATOM 0 H THR A 40 -2.817 1.652 -4.867 1.00 0.60 H new ATOM 0 HA THR A 40 -0.309 1.225 -3.580 1.00 0.62 H new ATOM 0 HB THR A 40 -1.000 3.297 -2.271 1.00 0.70 H new ATOM 0 HG1 THR A 40 -2.983 4.276 -3.006 1.00 0.73 H new ATOM 0 HG21 THR A 40 -0.994 4.751 -4.283 1.00 0.76 H new ATOM 0 HG22 THR A 40 0.180 3.423 -4.447 1.00 0.76 H new ATOM 0 HG23 THR A 40 -1.380 3.342 -5.300 1.00 0.76 H new ATOM 593 N ALA A 41 -3.014 0.658 -1.744 1.00 0.62 N ATOM 594 CA ALA A 41 -3.483 -0.004 -0.488 1.00 0.62 C ATOM 595 C ALA A 41 -3.337 -1.524 -0.630 1.00 0.56 C ATOM 596 O ALA A 41 -2.943 -2.201 0.301 1.00 0.58 O ATOM 597 CB ALA A 41 -4.952 0.350 -0.242 1.00 0.67 C ATOM 0 H ALA A 41 -3.759 1.001 -2.351 1.00 0.62 H new ATOM 0 HA ALA A 41 -2.883 0.342 0.354 1.00 0.62 H new ATOM 0 HB1 ALA A 41 -5.294 -0.132 0.674 1.00 0.67 H new ATOM 0 HB2 ALA A 41 -5.054 1.431 -0.143 1.00 0.67 H new ATOM 0 HB3 ALA A 41 -5.555 0.004 -1.082 1.00 0.67 H new ATOM 603 N VAL A 42 -3.644 -2.062 -1.795 1.00 0.53 N ATOM 604 CA VAL A 42 -3.514 -3.542 -2.008 1.00 0.49 C ATOM 605 C VAL A 42 -2.050 -3.952 -1.797 1.00 0.46 C ATOM 606 O VAL A 42 -1.755 -4.860 -1.038 1.00 0.47 O ATOM 607 CB VAL A 42 -3.946 -3.899 -3.438 1.00 0.51 C ATOM 608 CG1 VAL A 42 -3.802 -5.409 -3.661 1.00 0.52 C ATOM 609 CG2 VAL A 42 -5.409 -3.493 -3.650 1.00 0.58 C ATOM 0 H VAL A 42 -3.978 -1.538 -2.604 1.00 0.53 H new ATOM 0 HA VAL A 42 -4.151 -4.071 -1.299 1.00 0.49 H new ATOM 0 HB VAL A 42 -3.312 -3.365 -4.146 1.00 0.51 H new ATOM 0 HG11 VAL A 42 -4.110 -5.658 -4.677 1.00 0.52 H new ATOM 0 HG12 VAL A 42 -2.762 -5.701 -3.515 1.00 0.52 H new ATOM 0 HG13 VAL A 42 -4.432 -5.944 -2.950 1.00 0.52 H new ATOM 0 HG21 VAL A 42 -5.714 -3.747 -4.665 1.00 0.58 H new ATOM 0 HG22 VAL A 42 -6.041 -4.024 -2.938 1.00 0.58 H new ATOM 0 HG23 VAL A 42 -5.514 -2.419 -3.498 1.00 0.58 H new ATOM 619 N LEU A 43 -1.135 -3.275 -2.456 1.00 0.49 N ATOM 620 CA LEU A 43 0.320 -3.589 -2.307 1.00 0.49 C ATOM 621 C LEU A 43 0.746 -3.362 -0.853 1.00 0.51 C ATOM 622 O LEU A 43 1.580 -4.076 -0.325 1.00 0.54 O ATOM 623 CB LEU A 43 1.136 -2.668 -3.220 1.00 0.53 C ATOM 624 CG LEU A 43 2.565 -3.206 -3.348 1.00 0.49 C ATOM 625 CD1 LEU A 43 3.039 -3.068 -4.797 1.00 0.53 C ATOM 626 CD2 LEU A 43 3.497 -2.408 -2.430 1.00 0.64 C ATOM 0 H LEU A 43 -1.341 -2.509 -3.098 1.00 0.49 H new ATOM 0 HA LEU A 43 0.496 -4.629 -2.582 1.00 0.49 H new ATOM 0 HB2 LEU A 43 0.670 -2.608 -4.203 1.00 0.53 H new ATOM 0 HB3 LEU A 43 1.152 -1.657 -2.813 1.00 0.53 H new ATOM 0 HG LEU A 43 2.581 -4.257 -3.060 1.00 0.49 H new ATOM 0 HD11 LEU A 43 4.056 -3.451 -4.885 1.00 0.53 H new ATOM 0 HD12 LEU A 43 2.379 -3.637 -5.452 1.00 0.53 H new ATOM 0 HD13 LEU A 43 3.021 -2.018 -5.087 1.00 0.53 H new ATOM 0 HD21 LEU A 43 4.513 -2.791 -2.521 1.00 0.64 H new ATOM 0 HD22 LEU A 43 3.478 -1.357 -2.717 1.00 0.64 H new ATOM 0 HD23 LEU A 43 3.163 -2.508 -1.397 1.00 0.64 H new ATOM 638 N LYS A 44 0.174 -2.371 -0.207 1.00 0.54 N ATOM 639 CA LYS A 44 0.528 -2.078 1.214 1.00 0.59 C ATOM 640 C LYS A 44 0.181 -3.288 2.088 1.00 0.56 C ATOM 641 O LYS A 44 0.993 -3.746 2.871 1.00 0.59 O ATOM 642 CB LYS A 44 -0.264 -0.859 1.694 1.00 0.65 C ATOM 643 CG LYS A 44 0.682 0.122 2.388 1.00 1.19 C ATOM 644 CD LYS A 44 -0.129 1.104 3.238 1.00 2.06 C ATOM 645 CE LYS A 44 0.050 0.773 4.724 1.00 3.05 C ATOM 646 NZ LYS A 44 -1.243 0.287 5.294 1.00 3.95 N ATOM 0 H LYS A 44 -0.528 -1.750 -0.610 1.00 0.54 H new ATOM 0 HA LYS A 44 1.596 -1.872 1.288 1.00 0.59 H new ATOM 0 HB2 LYS A 44 -0.753 -0.374 0.849 1.00 0.65 H new ATOM 0 HB3 LYS A 44 -1.051 -1.170 2.381 1.00 0.65 H new ATOM 0 HG2 LYS A 44 1.388 -0.421 3.016 1.00 1.19 H new ATOM 0 HG3 LYS A 44 1.267 0.665 1.646 1.00 1.19 H new ATOM 0 HD2 LYS A 44 0.197 2.125 3.041 1.00 2.06 H new ATOM 0 HD3 LYS A 44 -1.184 1.049 2.968 1.00 2.06 H new ATOM 0 HE2 LYS A 44 0.821 0.012 4.846 1.00 3.05 H new ATOM 0 HE3 LYS A 44 0.387 1.657 5.265 1.00 3.05 H new ATOM 0 HZ1 LYS A 44 -1.116 0.064 6.302 1.00 3.95 H new ATOM 0 HZ2 LYS A 44 -1.967 1.026 5.192 1.00 3.95 H new ATOM 0 HZ3 LYS A 44 -1.547 -0.568 4.786 1.00 3.95 H new ATOM 660 N PHE A 45 -1.018 -3.803 1.952 1.00 0.53 N ATOM 661 CA PHE A 45 -1.439 -4.986 2.765 1.00 0.51 C ATOM 662 C PHE A 45 -0.568 -6.199 2.418 1.00 0.50 C ATOM 663 O PHE A 45 -0.123 -6.915 3.297 1.00 0.54 O ATOM 664 CB PHE A 45 -2.903 -5.313 2.465 1.00 0.52 C ATOM 665 CG PHE A 45 -3.796 -4.595 3.450 1.00 0.81 C ATOM 666 CD1 PHE A 45 -3.936 -5.087 4.753 1.00 1.26 C ATOM 667 CD2 PHE A 45 -4.484 -3.439 3.060 1.00 1.15 C ATOM 668 CE1 PHE A 45 -4.766 -4.426 5.666 1.00 1.65 C ATOM 669 CE2 PHE A 45 -5.314 -2.777 3.973 1.00 1.52 C ATOM 670 CZ PHE A 45 -5.454 -3.269 5.277 1.00 1.66 C ATOM 0 H PHE A 45 -1.727 -3.451 1.308 1.00 0.53 H new ATOM 0 HA PHE A 45 -1.321 -4.751 3.823 1.00 0.51 H new ATOM 0 HB2 PHE A 45 -3.152 -5.012 1.447 1.00 0.52 H new ATOM 0 HB3 PHE A 45 -3.066 -6.389 2.528 1.00 0.52 H new ATOM 0 HD1 PHE A 45 -3.403 -5.977 5.054 1.00 1.26 H new ATOM 0 HD2 PHE A 45 -4.374 -3.058 2.055 1.00 1.15 H new ATOM 0 HE1 PHE A 45 -4.876 -4.808 6.670 1.00 1.65 H new ATOM 0 HE2 PHE A 45 -5.846 -1.887 3.672 1.00 1.52 H new ATOM 0 HZ PHE A 45 -6.092 -2.757 5.982 1.00 1.66 H new ATOM 680 N ALA A 46 -0.322 -6.433 1.148 1.00 0.49 N ATOM 681 CA ALA A 46 0.525 -7.599 0.738 1.00 0.51 C ATOM 682 C ALA A 46 1.919 -7.467 1.364 1.00 0.50 C ATOM 683 O ALA A 46 2.444 -8.414 1.922 1.00 0.54 O ATOM 684 CB ALA A 46 0.649 -7.632 -0.788 1.00 0.55 C ATOM 0 H ALA A 46 -0.673 -5.864 0.377 1.00 0.49 H new ATOM 0 HA ALA A 46 0.060 -8.522 1.083 1.00 0.51 H new ATOM 0 HB1 ALA A 46 1.265 -8.481 -1.085 1.00 0.55 H new ATOM 0 HB2 ALA A 46 -0.342 -7.730 -1.232 1.00 0.55 H new ATOM 0 HB3 ALA A 46 1.112 -6.708 -1.135 1.00 0.55 H new ATOM 690 N ALA A 47 2.513 -6.296 1.286 1.00 0.51 N ATOM 691 CA ALA A 47 3.868 -6.088 1.885 1.00 0.53 C ATOM 692 C ALA A 47 3.778 -6.207 3.413 1.00 0.53 C ATOM 693 O ALA A 47 4.644 -6.781 4.046 1.00 0.56 O ATOM 694 CB ALA A 47 4.382 -4.695 1.510 1.00 0.56 C ATOM 0 H ALA A 47 2.114 -5.475 0.831 1.00 0.51 H new ATOM 0 HA ALA A 47 4.554 -6.844 1.503 1.00 0.53 H new ATOM 0 HB1 ALA A 47 5.369 -4.542 1.946 1.00 0.56 H new ATOM 0 HB2 ALA A 47 4.447 -4.611 0.425 1.00 0.56 H new ATOM 0 HB3 ALA A 47 3.696 -3.939 1.892 1.00 0.56 H new ATOM 700 N GLU A 48 2.728 -5.674 4.002 1.00 0.55 N ATOM 701 CA GLU A 48 2.557 -5.752 5.488 1.00 0.59 C ATOM 702 C GLU A 48 2.491 -7.223 5.921 1.00 0.61 C ATOM 703 O GLU A 48 3.104 -7.616 6.898 1.00 0.67 O ATOM 704 CB GLU A 48 1.258 -5.041 5.887 1.00 0.62 C ATOM 705 CG GLU A 48 1.140 -4.991 7.415 1.00 0.73 C ATOM 706 CD GLU A 48 -0.056 -5.838 7.866 1.00 0.94 C ATOM 707 OE1 GLU A 48 -1.165 -5.328 7.837 1.00 1.12 O ATOM 708 OE2 GLU A 48 0.159 -6.984 8.231 1.00 1.26 O ATOM 0 H GLU A 48 1.979 -5.186 3.511 1.00 0.55 H new ATOM 0 HA GLU A 48 3.403 -5.269 5.978 1.00 0.59 H new ATOM 0 HB2 GLU A 48 1.246 -4.030 5.479 1.00 0.62 H new ATOM 0 HB3 GLU A 48 0.401 -5.565 5.464 1.00 0.62 H new ATOM 0 HG2 GLU A 48 2.056 -5.364 7.873 1.00 0.73 H new ATOM 0 HG3 GLU A 48 1.014 -3.960 7.747 1.00 0.73 H new ATOM 715 N GLU A 49 1.759 -8.037 5.193 1.00 0.60 N ATOM 716 CA GLU A 49 1.651 -9.488 5.543 1.00 0.65 C ATOM 717 C GLU A 49 2.984 -10.194 5.251 1.00 0.67 C ATOM 718 O GLU A 49 3.311 -11.186 5.873 1.00 0.77 O ATOM 719 CB GLU A 49 0.539 -10.133 4.709 1.00 0.68 C ATOM 720 CG GLU A 49 -0.776 -10.113 5.495 1.00 0.71 C ATOM 721 CD GLU A 49 -1.587 -8.867 5.119 1.00 0.77 C ATOM 722 OE1 GLU A 49 -2.294 -8.920 4.124 1.00 0.97 O ATOM 723 OE2 GLU A 49 -1.489 -7.882 5.832 1.00 0.95 O ATOM 0 H GLU A 49 1.230 -7.755 4.368 1.00 0.60 H new ATOM 0 HA GLU A 49 1.417 -9.586 6.603 1.00 0.65 H new ATOM 0 HB2 GLU A 49 0.419 -9.596 3.768 1.00 0.68 H new ATOM 0 HB3 GLU A 49 0.808 -11.159 4.458 1.00 0.68 H new ATOM 0 HG2 GLU A 49 -1.353 -11.012 5.279 1.00 0.71 H new ATOM 0 HG3 GLU A 49 -0.571 -10.115 6.565 1.00 0.71 H new ATOM 730 N PHE A 50 3.752 -9.687 4.308 1.00 0.63 N ATOM 731 CA PHE A 50 5.066 -10.321 3.967 1.00 0.69 C ATOM 732 C PHE A 50 6.189 -9.772 4.869 1.00 0.74 C ATOM 733 O PHE A 50 7.345 -10.121 4.696 1.00 0.81 O ATOM 734 CB PHE A 50 5.405 -10.016 2.504 1.00 0.67 C ATOM 735 CG PHE A 50 4.929 -11.147 1.621 1.00 0.70 C ATOM 736 CD1 PHE A 50 5.449 -12.437 1.790 1.00 0.84 C ATOM 737 CD2 PHE A 50 3.967 -10.905 0.633 1.00 0.69 C ATOM 738 CE1 PHE A 50 5.007 -13.482 0.971 1.00 0.91 C ATOM 739 CE2 PHE A 50 3.526 -11.950 -0.185 1.00 0.76 C ATOM 740 CZ PHE A 50 4.044 -13.239 -0.016 1.00 0.84 C ATOM 0 H PHE A 50 3.521 -8.858 3.760 1.00 0.63 H new ATOM 0 HA PHE A 50 4.986 -11.397 4.123 1.00 0.69 H new ATOM 0 HB2 PHE A 50 4.934 -9.082 2.199 1.00 0.67 H new ATOM 0 HB3 PHE A 50 6.481 -9.882 2.391 1.00 0.67 H new ATOM 0 HD1 PHE A 50 6.191 -12.625 2.552 1.00 0.84 H new ATOM 0 HD2 PHE A 50 3.565 -9.911 0.503 1.00 0.69 H new ATOM 0 HE1 PHE A 50 5.409 -14.476 1.100 1.00 0.91 H new ATOM 0 HE2 PHE A 50 2.785 -11.762 -0.948 1.00 0.76 H new ATOM 0 HZ PHE A 50 3.701 -14.046 -0.647 1.00 0.84 H new ATOM 750 N LYS A 51 5.864 -8.919 5.821 1.00 0.75 N ATOM 751 CA LYS A 51 6.906 -8.340 6.735 1.00 0.83 C ATOM 752 C LYS A 51 7.898 -7.483 5.926 1.00 0.82 C ATOM 753 O LYS A 51 9.081 -7.440 6.217 1.00 0.90 O ATOM 754 CB LYS A 51 7.652 -9.471 7.460 1.00 0.94 C ATOM 755 CG LYS A 51 6.782 -10.013 8.597 1.00 1.46 C ATOM 756 CD LYS A 51 6.920 -11.535 8.666 1.00 1.85 C ATOM 757 CE LYS A 51 5.535 -12.179 8.576 1.00 2.59 C ATOM 758 NZ LYS A 51 5.288 -12.640 7.178 1.00 3.18 N ATOM 0 H LYS A 51 4.913 -8.598 6.003 1.00 0.75 H new ATOM 0 HA LYS A 51 6.418 -7.707 7.476 1.00 0.83 H new ATOM 0 HB2 LYS A 51 7.891 -10.270 6.759 1.00 0.94 H new ATOM 0 HB3 LYS A 51 8.598 -9.101 7.857 1.00 0.94 H new ATOM 0 HG2 LYS A 51 7.084 -9.567 9.544 1.00 1.46 H new ATOM 0 HG3 LYS A 51 5.740 -9.739 8.434 1.00 1.46 H new ATOM 0 HD2 LYS A 51 7.551 -11.891 7.852 1.00 1.85 H new ATOM 0 HD3 LYS A 51 7.407 -11.825 9.597 1.00 1.85 H new ATOM 0 HE2 LYS A 51 5.469 -13.021 9.265 1.00 2.59 H new ATOM 0 HE3 LYS A 51 4.769 -11.463 8.874 1.00 2.59 H new ATOM 0 HZ1 LYS A 51 4.460 -12.145 6.790 1.00 3.18 H new ATOM 0 HZ2 LYS A 51 6.121 -12.432 6.592 1.00 3.18 H new ATOM 0 HZ3 LYS A 51 5.110 -13.665 7.177 1.00 3.18 H new ATOM 772 N VAL A 52 7.414 -6.794 4.917 1.00 0.75 N ATOM 773 CA VAL A 52 8.307 -5.925 4.085 1.00 0.76 C ATOM 774 C VAL A 52 7.652 -4.547 3.895 1.00 0.73 C ATOM 775 O VAL A 52 6.448 -4.410 4.029 1.00 0.71 O ATOM 776 CB VAL A 52 8.542 -6.576 2.713 1.00 0.72 C ATOM 777 CG1 VAL A 52 9.386 -7.842 2.881 1.00 0.80 C ATOM 778 CG2 VAL A 52 7.198 -6.939 2.070 1.00 0.72 C ATOM 0 H VAL A 52 6.434 -6.797 4.634 1.00 0.75 H new ATOM 0 HA VAL A 52 9.264 -5.807 4.593 1.00 0.76 H new ATOM 0 HB VAL A 52 9.069 -5.871 2.070 1.00 0.72 H new ATOM 0 HG11 VAL A 52 9.551 -8.301 1.906 1.00 0.80 H new ATOM 0 HG12 VAL A 52 10.346 -7.583 3.327 1.00 0.80 H new ATOM 0 HG13 VAL A 52 8.863 -8.545 3.529 1.00 0.80 H new ATOM 0 HG21 VAL A 52 7.372 -7.400 1.098 1.00 0.72 H new ATOM 0 HG22 VAL A 52 6.664 -7.639 2.713 1.00 0.72 H new ATOM 0 HG23 VAL A 52 6.601 -6.036 1.942 1.00 0.72 H new ATOM 788 N PRO A 53 8.470 -3.565 3.586 1.00 0.77 N ATOM 789 CA PRO A 53 8.005 -2.179 3.371 1.00 0.78 C ATOM 790 C PRO A 53 7.327 -2.040 2.002 1.00 0.70 C ATOM 791 O PRO A 53 7.892 -2.380 0.979 1.00 0.70 O ATOM 792 CB PRO A 53 9.290 -1.352 3.441 1.00 0.88 C ATOM 793 CG PRO A 53 10.453 -2.325 3.133 1.00 0.90 C ATOM 794 CD PRO A 53 9.928 -3.743 3.422 1.00 0.85 C ATOM 0 HA PRO A 53 7.262 -1.859 4.102 1.00 0.78 H new ATOM 0 HB2 PRO A 53 9.266 -0.535 2.720 1.00 0.88 H new ATOM 0 HB3 PRO A 53 9.410 -0.903 4.427 1.00 0.88 H new ATOM 0 HG2 PRO A 53 10.770 -2.233 2.094 1.00 0.90 H new ATOM 0 HG3 PRO A 53 11.321 -2.100 3.752 1.00 0.90 H new ATOM 0 HD2 PRO A 53 10.156 -4.426 2.604 1.00 0.85 H new ATOM 0 HD3 PRO A 53 10.382 -4.160 4.321 1.00 0.85 H new ATOM 802 N ALA A 54 6.114 -1.540 1.991 1.00 0.70 N ATOM 803 CA ALA A 54 5.365 -1.368 0.704 1.00 0.67 C ATOM 804 C ALA A 54 5.944 -0.190 -0.092 1.00 0.71 C ATOM 805 O ALA A 54 5.958 -0.210 -1.311 1.00 0.74 O ATOM 806 CB ALA A 54 3.889 -1.101 1.007 1.00 0.73 C ATOM 0 H ALA A 54 5.607 -1.241 2.824 1.00 0.70 H new ATOM 0 HA ALA A 54 5.462 -2.278 0.112 1.00 0.67 H new ATOM 0 HB1 ALA A 54 3.343 -0.976 0.072 1.00 0.73 H new ATOM 0 HB2 ALA A 54 3.473 -1.943 1.560 1.00 0.73 H new ATOM 0 HB3 ALA A 54 3.799 -0.194 1.605 1.00 0.73 H new ATOM 812 N ALA A 55 6.415 0.832 0.586 1.00 0.77 N ATOM 813 CA ALA A 55 6.992 2.020 -0.120 1.00 0.84 C ATOM 814 C ALA A 55 8.262 1.623 -0.890 1.00 0.87 C ATOM 815 O ALA A 55 8.576 2.204 -1.913 1.00 0.94 O ATOM 816 CB ALA A 55 7.340 3.103 0.906 1.00 0.91 C ATOM 0 H ALA A 55 6.424 0.893 1.604 1.00 0.77 H new ATOM 0 HA ALA A 55 6.255 2.400 -0.827 1.00 0.84 H new ATOM 0 HB1 ALA A 55 7.760 3.968 0.393 1.00 0.91 H new ATOM 0 HB2 ALA A 55 6.438 3.401 1.441 1.00 0.91 H new ATOM 0 HB3 ALA A 55 8.070 2.712 1.615 1.00 0.91 H new ATOM 822 N THR A 56 8.997 0.644 -0.404 1.00 0.86 N ATOM 823 CA THR A 56 10.253 0.214 -1.104 1.00 0.94 C ATOM 824 C THR A 56 10.060 -1.172 -1.747 1.00 0.91 C ATOM 825 O THR A 56 11.016 -1.891 -1.978 1.00 1.43 O ATOM 826 CB THR A 56 11.426 0.152 -0.102 1.00 1.03 C ATOM 827 OG1 THR A 56 10.953 0.331 1.229 1.00 0.97 O ATOM 828 CG2 THR A 56 12.439 1.250 -0.433 1.00 1.47 C ATOM 0 H THR A 56 8.780 0.126 0.447 1.00 0.86 H new ATOM 0 HA THR A 56 10.479 0.943 -1.882 1.00 0.94 H new ATOM 0 HB THR A 56 11.902 -0.826 -0.179 1.00 1.03 H new ATOM 0 HG1 THR A 56 11.707 0.288 1.853 1.00 0.97 H new ATOM 0 HG21 THR A 56 13.267 1.206 0.274 1.00 1.47 H new ATOM 0 HG22 THR A 56 12.818 1.103 -1.444 1.00 1.47 H new ATOM 0 HG23 THR A 56 11.955 2.224 -0.365 1.00 1.47 H new ATOM 836 N SER A 57 8.837 -1.551 -2.045 1.00 0.53 N ATOM 837 CA SER A 57 8.599 -2.886 -2.676 1.00 0.48 C ATOM 838 C SER A 57 7.586 -2.758 -3.820 1.00 0.45 C ATOM 839 O SER A 57 6.754 -1.866 -3.835 1.00 0.57 O ATOM 840 CB SER A 57 8.069 -3.870 -1.626 1.00 0.50 C ATOM 841 OG SER A 57 6.747 -3.501 -1.247 1.00 0.54 O ATOM 0 H SER A 57 7.999 -0.994 -1.878 1.00 0.53 H new ATOM 0 HA SER A 57 9.542 -3.258 -3.077 1.00 0.48 H new ATOM 0 HB2 SER A 57 8.073 -4.883 -2.028 1.00 0.50 H new ATOM 0 HB3 SER A 57 8.721 -3.871 -0.753 1.00 0.50 H new ATOM 0 HG SER A 57 6.411 -4.132 -0.577 1.00 0.54 H new ATOM 847 N ALA A 58 7.655 -3.655 -4.772 1.00 0.41 N ATOM 848 CA ALA A 58 6.709 -3.625 -5.928 1.00 0.39 C ATOM 849 C ALA A 58 6.079 -5.012 -6.104 1.00 0.34 C ATOM 850 O ALA A 58 6.463 -5.966 -5.449 1.00 0.37 O ATOM 851 CB ALA A 58 7.473 -3.245 -7.199 1.00 0.44 C ATOM 0 H ALA A 58 8.335 -4.415 -4.797 1.00 0.41 H new ATOM 0 HA ALA A 58 5.925 -2.890 -5.742 1.00 0.39 H new ATOM 0 HB1 ALA A 58 6.785 -3.222 -8.044 1.00 0.44 H new ATOM 0 HB2 ALA A 58 7.924 -2.261 -7.072 1.00 0.44 H new ATOM 0 HB3 ALA A 58 8.255 -3.981 -7.387 1.00 0.44 H new ATOM 857 N ILE A 59 5.113 -5.130 -6.982 1.00 0.32 N ATOM 858 CA ILE A 59 4.457 -6.455 -7.202 1.00 0.30 C ATOM 859 C ILE A 59 4.501 -6.800 -8.694 1.00 0.29 C ATOM 860 O ILE A 59 3.991 -6.070 -9.520 1.00 0.32 O ATOM 861 CB ILE A 59 3.001 -6.392 -6.709 1.00 0.32 C ATOM 862 CG1 ILE A 59 2.972 -6.634 -5.195 1.00 0.39 C ATOM 863 CG2 ILE A 59 2.153 -7.462 -7.413 1.00 0.34 C ATOM 864 CD1 ILE A 59 1.579 -6.313 -4.644 1.00 0.44 C ATOM 0 H ILE A 59 4.752 -4.367 -7.554 1.00 0.32 H new ATOM 0 HA ILE A 59 4.985 -7.229 -6.644 1.00 0.30 H new ATOM 0 HB ILE A 59 2.589 -5.409 -6.938 1.00 0.32 H new ATOM 0 HG12 ILE A 59 3.229 -7.671 -4.978 1.00 0.39 H new ATOM 0 HG13 ILE A 59 3.720 -6.011 -4.704 1.00 0.39 H new ATOM 0 HG21 ILE A 59 1.125 -7.406 -7.054 1.00 0.34 H new ATOM 0 HG22 ILE A 59 2.172 -7.291 -8.489 1.00 0.34 H new ATOM 0 HG23 ILE A 59 2.560 -8.450 -7.195 1.00 0.34 H new ATOM 0 HD11 ILE A 59 1.564 -6.487 -3.568 1.00 0.44 H new ATOM 0 HD12 ILE A 59 1.339 -5.269 -4.846 1.00 0.44 H new ATOM 0 HD13 ILE A 59 0.841 -6.954 -5.125 1.00 0.44 H new ATOM 876 N ILE A 60 5.098 -7.915 -9.038 1.00 0.30 N ATOM 877 CA ILE A 60 5.167 -8.321 -10.477 1.00 0.33 C ATOM 878 C ILE A 60 4.057 -9.340 -10.772 1.00 0.33 C ATOM 879 O ILE A 60 3.378 -9.809 -9.878 1.00 0.38 O ATOM 880 CB ILE A 60 6.533 -8.953 -10.791 1.00 0.38 C ATOM 881 CG1 ILE A 60 6.813 -10.110 -9.821 1.00 0.41 C ATOM 882 CG2 ILE A 60 7.635 -7.899 -10.659 1.00 0.43 C ATOM 883 CD1 ILE A 60 7.342 -11.316 -10.602 1.00 0.59 C ATOM 0 H ILE A 60 5.540 -8.562 -8.385 1.00 0.30 H new ATOM 0 HA ILE A 60 5.035 -7.436 -11.099 1.00 0.33 H new ATOM 0 HB ILE A 60 6.518 -9.336 -11.811 1.00 0.38 H new ATOM 0 HG12 ILE A 60 7.541 -9.801 -9.071 1.00 0.41 H new ATOM 0 HG13 ILE A 60 5.901 -10.380 -9.288 1.00 0.41 H new ATOM 0 HG21 ILE A 60 8.601 -8.352 -10.883 1.00 0.43 H new ATOM 0 HG22 ILE A 60 7.446 -7.085 -11.359 1.00 0.43 H new ATOM 0 HG23 ILE A 60 7.645 -7.508 -9.642 1.00 0.43 H new ATOM 0 HD11 ILE A 60 7.541 -12.137 -9.913 1.00 0.59 H new ATOM 0 HD12 ILE A 60 6.599 -11.629 -11.335 1.00 0.59 H new ATOM 0 HD13 ILE A 60 8.264 -11.042 -11.115 1.00 0.59 H new ATOM 895 N THR A 61 3.873 -9.682 -12.021 1.00 0.38 N ATOM 896 CA THR A 61 2.814 -10.673 -12.392 1.00 0.42 C ATOM 897 C THR A 61 3.460 -12.052 -12.586 1.00 0.44 C ATOM 898 O THR A 61 4.649 -12.161 -12.839 1.00 0.48 O ATOM 899 CB THR A 61 2.126 -10.232 -13.695 1.00 0.47 C ATOM 900 OG1 THR A 61 1.780 -8.854 -13.611 1.00 0.53 O ATOM 901 CG2 THR A 61 0.858 -11.061 -13.918 1.00 0.56 C ATOM 0 H THR A 61 4.413 -9.316 -12.805 1.00 0.38 H new ATOM 0 HA THR A 61 2.069 -10.728 -11.598 1.00 0.42 H new ATOM 0 HB THR A 61 2.810 -10.386 -14.529 1.00 0.47 H new ATOM 0 HG1 THR A 61 1.050 -8.661 -14.236 1.00 0.53 H new ATOM 0 HG21 THR A 61 0.374 -10.745 -14.842 1.00 0.56 H new ATOM 0 HG22 THR A 61 1.121 -12.116 -13.989 1.00 0.56 H new ATOM 0 HG23 THR A 61 0.175 -10.913 -13.082 1.00 0.56 H new ATOM 909 N ASN A 62 2.681 -13.105 -12.471 1.00 0.48 N ATOM 910 CA ASN A 62 3.232 -14.488 -12.647 1.00 0.53 C ATOM 911 C ASN A 62 3.881 -14.630 -14.034 1.00 0.58 C ATOM 912 O ASN A 62 4.775 -15.437 -14.222 1.00 0.63 O ATOM 913 CB ASN A 62 2.099 -15.510 -12.506 1.00 0.62 C ATOM 914 CG ASN A 62 2.263 -16.277 -11.190 1.00 0.86 C ATOM 915 OD1 ASN A 62 2.678 -17.419 -11.187 1.00 1.22 O ATOM 916 ND2 ASN A 62 1.956 -15.693 -10.062 1.00 1.02 N ATOM 0 H ASN A 62 1.683 -13.064 -12.262 1.00 0.48 H new ATOM 0 HA ASN A 62 3.988 -14.668 -11.883 1.00 0.53 H new ATOM 0 HB2 ASN A 62 1.134 -15.004 -12.526 1.00 0.62 H new ATOM 0 HB3 ASN A 62 2.113 -16.203 -13.347 1.00 0.62 H new ATOM 0 HD21 ASN A 62 2.065 -16.196 -9.181 1.00 1.02 H new ATOM 0 HD22 ASN A 62 1.607 -14.734 -10.062 1.00 1.02 H new ATOM 923 N ASP A 63 3.443 -13.853 -15.002 1.00 0.61 N ATOM 924 CA ASP A 63 4.038 -13.938 -16.372 1.00 0.70 C ATOM 925 C ASP A 63 5.366 -13.173 -16.400 1.00 0.71 C ATOM 926 O ASP A 63 6.380 -13.700 -16.824 1.00 0.82 O ATOM 927 CB ASP A 63 3.069 -13.324 -17.390 1.00 0.79 C ATOM 928 CG ASP A 63 1.837 -14.223 -17.537 1.00 1.06 C ATOM 929 OD1 ASP A 63 1.880 -15.125 -18.359 1.00 1.36 O ATOM 930 OD2 ASP A 63 0.871 -13.994 -16.827 1.00 1.25 O ATOM 0 H ASP A 63 2.698 -13.164 -14.898 1.00 0.61 H new ATOM 0 HA ASP A 63 4.216 -14.983 -16.627 1.00 0.70 H new ATOM 0 HB2 ASP A 63 2.768 -12.328 -17.065 1.00 0.79 H new ATOM 0 HB3 ASP A 63 3.564 -13.209 -18.354 1.00 0.79 H new ATOM 935 N GLY A 64 5.368 -11.939 -15.946 1.00 0.67 N ATOM 936 CA GLY A 64 6.631 -11.137 -15.937 1.00 0.71 C ATOM 937 C GLY A 64 6.317 -9.657 -16.181 1.00 0.72 C ATOM 938 O GLY A 64 6.844 -9.048 -17.094 1.00 0.85 O ATOM 0 H GLY A 64 4.547 -11.455 -15.582 1.00 0.67 H new ATOM 0 HA2 GLY A 64 7.140 -11.256 -14.980 1.00 0.71 H new ATOM 0 HA3 GLY A 64 7.310 -11.504 -16.707 1.00 0.71 H new ATOM 942 N VAL A 65 5.469 -9.075 -15.363 1.00 0.62 N ATOM 943 CA VAL A 65 5.117 -7.630 -15.528 1.00 0.65 C ATOM 944 C VAL A 65 5.273 -6.921 -14.178 1.00 0.58 C ATOM 945 O VAL A 65 4.630 -7.273 -13.209 1.00 0.57 O ATOM 946 CB VAL A 65 3.670 -7.495 -16.020 1.00 0.69 C ATOM 947 CG1 VAL A 65 3.389 -6.035 -16.384 1.00 0.80 C ATOM 948 CG2 VAL A 65 3.460 -8.373 -17.260 1.00 0.82 C ATOM 0 H VAL A 65 5.004 -9.543 -14.585 1.00 0.62 H new ATOM 0 HA VAL A 65 5.781 -7.175 -16.263 1.00 0.65 H new ATOM 0 HB VAL A 65 2.991 -7.815 -15.229 1.00 0.69 H new ATOM 0 HG11 VAL A 65 2.361 -5.939 -16.734 1.00 0.80 H new ATOM 0 HG12 VAL A 65 3.534 -5.407 -15.505 1.00 0.80 H new ATOM 0 HG13 VAL A 65 4.072 -5.719 -17.173 1.00 0.80 H new ATOM 0 HG21 VAL A 65 2.431 -8.274 -17.606 1.00 0.82 H new ATOM 0 HG22 VAL A 65 4.141 -8.056 -18.050 1.00 0.82 H new ATOM 0 HG23 VAL A 65 3.659 -9.414 -17.006 1.00 0.82 H new ATOM 958 N GLY A 66 6.128 -5.927 -14.113 1.00 0.58 N ATOM 959 CA GLY A 66 6.348 -5.188 -12.833 1.00 0.53 C ATOM 960 C GLY A 66 5.163 -4.264 -12.552 1.00 0.51 C ATOM 961 O GLY A 66 5.157 -3.109 -12.941 1.00 0.60 O ATOM 0 H GLY A 66 6.686 -5.595 -14.900 1.00 0.58 H new ATOM 0 HA2 GLY A 66 6.471 -5.895 -12.012 1.00 0.53 H new ATOM 0 HA3 GLY A 66 7.267 -4.606 -12.893 1.00 0.53 H new ATOM 965 N VAL A 67 4.167 -4.772 -11.873 1.00 0.42 N ATOM 966 CA VAL A 67 2.962 -3.946 -11.541 1.00 0.43 C ATOM 967 C VAL A 67 3.312 -2.951 -10.425 1.00 0.39 C ATOM 968 O VAL A 67 3.905 -3.309 -9.418 1.00 0.41 O ATOM 969 CB VAL A 67 1.814 -4.853 -11.070 1.00 0.44 C ATOM 970 CG1 VAL A 67 0.514 -4.046 -11.017 1.00 0.53 C ATOM 971 CG2 VAL A 67 1.642 -6.023 -12.043 1.00 0.53 C ATOM 0 H VAL A 67 4.135 -5.732 -11.530 1.00 0.42 H new ATOM 0 HA VAL A 67 2.648 -3.404 -12.433 1.00 0.43 H new ATOM 0 HB VAL A 67 2.049 -5.239 -10.078 1.00 0.44 H new ATOM 0 HG11 VAL A 67 -0.300 -4.689 -10.683 1.00 0.53 H new ATOM 0 HG12 VAL A 67 0.629 -3.216 -10.321 1.00 0.53 H new ATOM 0 HG13 VAL A 67 0.286 -3.658 -12.010 1.00 0.53 H new ATOM 0 HG21 VAL A 67 0.827 -6.662 -11.703 1.00 0.53 H new ATOM 0 HG22 VAL A 67 1.412 -5.639 -13.037 1.00 0.53 H new ATOM 0 HG23 VAL A 67 2.565 -6.602 -12.082 1.00 0.53 H new ATOM 981 N ASN A 68 2.943 -1.706 -10.603 1.00 0.43 N ATOM 982 CA ASN A 68 3.236 -0.665 -9.570 1.00 0.43 C ATOM 983 C ASN A 68 1.919 -0.170 -8.949 1.00 0.42 C ATOM 984 O ASN A 68 0.858 -0.355 -9.521 1.00 0.46 O ATOM 985 CB ASN A 68 3.966 0.510 -10.230 1.00 0.51 C ATOM 986 CG ASN A 68 5.405 0.100 -10.559 1.00 0.58 C ATOM 987 OD1 ASN A 68 6.251 0.057 -9.687 1.00 0.71 O ATOM 988 ND2 ASN A 68 5.720 -0.204 -11.789 1.00 0.72 N ATOM 0 H ASN A 68 2.447 -1.364 -11.426 1.00 0.43 H new ATOM 0 HA ASN A 68 3.864 -1.093 -8.788 1.00 0.43 H new ATOM 0 HB2 ASN A 68 3.446 0.810 -11.139 1.00 0.51 H new ATOM 0 HB3 ASN A 68 3.966 1.372 -9.563 1.00 0.51 H new ATOM 0 HD21 ASN A 68 6.676 -0.477 -12.018 1.00 0.72 H new ATOM 0 HD22 ASN A 68 5.010 -0.168 -12.521 1.00 0.72 H new ATOM 995 N PRO A 69 2.029 0.447 -7.791 1.00 0.43 N ATOM 996 CA PRO A 69 0.866 0.987 -7.057 1.00 0.47 C ATOM 997 C PRO A 69 0.407 2.318 -7.680 1.00 0.51 C ATOM 998 O PRO A 69 0.452 3.363 -7.054 1.00 0.59 O ATOM 999 CB PRO A 69 1.405 1.185 -5.634 1.00 0.53 C ATOM 1000 CG PRO A 69 2.943 1.298 -5.760 1.00 0.52 C ATOM 1001 CD PRO A 69 3.323 0.662 -7.109 1.00 0.46 C ATOM 0 HA PRO A 69 -0.007 0.335 -7.084 1.00 0.47 H new ATOM 0 HB2 PRO A 69 0.986 2.084 -5.182 1.00 0.53 H new ATOM 0 HB3 PRO A 69 1.128 0.347 -4.994 1.00 0.53 H new ATOM 0 HG2 PRO A 69 3.259 2.340 -5.721 1.00 0.52 H new ATOM 0 HG3 PRO A 69 3.438 0.784 -4.936 1.00 0.52 H new ATOM 0 HD2 PRO A 69 3.973 1.317 -7.688 1.00 0.46 H new ATOM 0 HD3 PRO A 69 3.859 -0.277 -6.969 1.00 0.46 H new ATOM 1009 N ALA A 70 -0.029 2.282 -8.920 1.00 0.52 N ATOM 1010 CA ALA A 70 -0.488 3.531 -9.607 1.00 0.60 C ATOM 1011 C ALA A 70 -1.877 3.332 -10.248 1.00 0.58 C ATOM 1012 O ALA A 70 -2.446 4.263 -10.790 1.00 0.89 O ATOM 1013 CB ALA A 70 0.522 3.905 -10.695 1.00 0.75 C ATOM 0 H ALA A 70 -0.086 1.436 -9.487 1.00 0.52 H new ATOM 0 HA ALA A 70 -0.561 4.328 -8.867 1.00 0.60 H new ATOM 0 HB1 ALA A 70 0.194 4.814 -11.199 1.00 0.75 H new ATOM 0 HB2 ALA A 70 1.499 4.074 -10.242 1.00 0.75 H new ATOM 0 HB3 ALA A 70 0.594 3.094 -11.419 1.00 0.75 H new ATOM 1019 N GLN A 71 -2.430 2.137 -10.195 1.00 0.83 N ATOM 1020 CA GLN A 71 -3.778 1.892 -10.803 1.00 0.77 C ATOM 1021 C GLN A 71 -4.724 1.289 -9.749 1.00 0.68 C ATOM 1022 O GLN A 71 -4.278 0.838 -8.711 1.00 0.67 O ATOM 1023 CB GLN A 71 -3.632 0.931 -11.994 1.00 0.77 C ATOM 1024 CG GLN A 71 -3.088 -0.420 -11.519 1.00 0.77 C ATOM 1025 CD GLN A 71 -2.235 -1.044 -12.628 1.00 0.93 C ATOM 1026 OE1 GLN A 71 -2.744 -1.740 -13.483 1.00 1.15 O ATOM 1027 NE2 GLN A 71 -0.948 -0.824 -12.647 1.00 1.15 N ATOM 0 H GLN A 71 -2.003 1.322 -9.755 1.00 0.83 H new ATOM 0 HA GLN A 71 -4.198 2.835 -11.152 1.00 0.77 H new ATOM 0 HB2 GLN A 71 -4.598 0.792 -12.479 1.00 0.77 H new ATOM 0 HB3 GLN A 71 -2.961 1.361 -12.737 1.00 0.77 H new ATOM 0 HG2 GLN A 71 -2.491 -0.287 -10.617 1.00 0.77 H new ATOM 0 HG3 GLN A 71 -3.912 -1.086 -11.261 1.00 0.77 H new ATOM 0 HE21 GLN A 71 -0.520 -0.239 -11.929 1.00 1.15 H new ATOM 0 HE22 GLN A 71 -0.371 -1.237 -13.380 1.00 1.15 H new ATOM 1036 N PRO A 72 -6.007 1.304 -10.046 1.00 0.66 N ATOM 1037 CA PRO A 72 -7.043 0.771 -9.135 1.00 0.61 C ATOM 1038 C PRO A 72 -7.062 -0.766 -9.151 1.00 0.52 C ATOM 1039 O PRO A 72 -6.571 -1.396 -10.072 1.00 0.53 O ATOM 1040 CB PRO A 72 -8.347 1.348 -9.693 1.00 0.66 C ATOM 1041 CG PRO A 72 -8.072 1.700 -11.173 1.00 0.71 C ATOM 1042 CD PRO A 72 -6.546 1.849 -11.313 1.00 0.72 C ATOM 0 HA PRO A 72 -6.871 1.047 -8.095 1.00 0.61 H new ATOM 0 HB2 PRO A 72 -9.158 0.625 -9.610 1.00 0.66 H new ATOM 0 HB3 PRO A 72 -8.651 2.233 -9.134 1.00 0.66 H new ATOM 0 HG2 PRO A 72 -8.447 0.918 -11.833 1.00 0.71 H new ATOM 0 HG3 PRO A 72 -8.579 2.624 -11.452 1.00 0.71 H new ATOM 0 HD2 PRO A 72 -6.170 1.298 -12.175 1.00 0.72 H new ATOM 0 HD3 PRO A 72 -6.259 2.891 -11.451 1.00 0.72 H new ATOM 1050 N ALA A 73 -7.633 -1.363 -8.128 1.00 0.50 N ATOM 1051 CA ALA A 73 -7.702 -2.859 -8.047 1.00 0.44 C ATOM 1052 C ALA A 73 -8.467 -3.419 -9.254 1.00 0.38 C ATOM 1053 O ALA A 73 -8.101 -4.445 -9.800 1.00 0.39 O ATOM 1054 CB ALA A 73 -8.420 -3.266 -6.756 1.00 0.50 C ATOM 0 H ALA A 73 -8.057 -0.873 -7.340 1.00 0.50 H new ATOM 0 HA ALA A 73 -6.689 -3.262 -8.049 1.00 0.44 H new ATOM 0 HB1 ALA A 73 -8.471 -4.353 -6.695 1.00 0.50 H new ATOM 0 HB2 ALA A 73 -7.871 -2.880 -5.897 1.00 0.50 H new ATOM 0 HB3 ALA A 73 -9.429 -2.855 -6.756 1.00 0.50 H new ATOM 1060 N GLY A 74 -9.519 -2.750 -9.678 1.00 0.39 N ATOM 1061 CA GLY A 74 -10.307 -3.234 -10.855 1.00 0.41 C ATOM 1062 C GLY A 74 -9.392 -3.328 -12.083 1.00 0.43 C ATOM 1063 O GLY A 74 -9.453 -4.281 -12.838 1.00 0.47 O ATOM 0 H GLY A 74 -9.864 -1.888 -9.256 1.00 0.39 H new ATOM 0 HA2 GLY A 74 -10.742 -4.209 -10.638 1.00 0.41 H new ATOM 0 HA3 GLY A 74 -11.134 -2.553 -11.056 1.00 0.41 H new ATOM 1067 N ASN A 75 -8.539 -2.346 -12.273 1.00 0.47 N ATOM 1068 CA ASN A 75 -7.600 -2.362 -13.438 1.00 0.53 C ATOM 1069 C ASN A 75 -6.538 -3.454 -13.234 1.00 0.50 C ATOM 1070 O ASN A 75 -6.103 -4.082 -14.180 1.00 0.56 O ATOM 1071 CB ASN A 75 -6.912 -0.997 -13.555 1.00 0.64 C ATOM 1072 CG ASN A 75 -6.809 -0.599 -15.030 1.00 1.17 C ATOM 1073 OD1 ASN A 75 -7.735 -0.044 -15.588 1.00 1.59 O ATOM 1074 ND2 ASN A 75 -5.714 -0.860 -15.690 1.00 1.53 N ATOM 0 H ASN A 75 -8.455 -1.531 -11.666 1.00 0.47 H new ATOM 0 HA ASN A 75 -8.160 -2.570 -14.350 1.00 0.53 H new ATOM 0 HB2 ASN A 75 -7.477 -0.245 -13.004 1.00 0.64 H new ATOM 0 HB3 ASN A 75 -5.918 -1.040 -13.109 1.00 0.64 H new ATOM 0 HD21 ASN A 75 -5.636 -0.598 -16.673 1.00 1.53 H new ATOM 0 HD22 ASN A 75 -4.936 -1.326 -15.223 1.00 1.53 H new ATOM 1081 N ILE A 76 -6.127 -3.682 -12.004 1.00 0.45 N ATOM 1082 CA ILE A 76 -5.098 -4.735 -11.722 1.00 0.44 C ATOM 1083 C ILE A 76 -5.623 -6.101 -12.186 1.00 0.41 C ATOM 1084 O ILE A 76 -4.907 -6.869 -12.801 1.00 0.49 O ATOM 1085 CB ILE A 76 -4.813 -4.778 -10.211 1.00 0.43 C ATOM 1086 CG1 ILE A 76 -4.101 -3.485 -9.786 1.00 0.51 C ATOM 1087 CG2 ILE A 76 -3.933 -5.988 -9.874 1.00 0.46 C ATOM 1088 CD1 ILE A 76 -2.651 -3.487 -10.286 1.00 0.56 C ATOM 0 H ILE A 76 -6.463 -3.181 -11.182 1.00 0.45 H new ATOM 0 HA ILE A 76 -4.179 -4.500 -12.258 1.00 0.44 H new ATOM 0 HB ILE A 76 -5.757 -4.867 -9.673 1.00 0.43 H new ATOM 0 HG12 ILE A 76 -4.630 -2.621 -10.188 1.00 0.51 H new ATOM 0 HG13 ILE A 76 -4.118 -3.392 -8.700 1.00 0.51 H new ATOM 0 HG21 ILE A 76 -3.738 -6.008 -8.802 1.00 0.46 H new ATOM 0 HG22 ILE A 76 -4.446 -6.904 -10.167 1.00 0.46 H new ATOM 0 HG23 ILE A 76 -2.989 -5.913 -10.413 1.00 0.46 H new ATOM 0 HD11 ILE A 76 -2.159 -2.565 -9.978 1.00 0.56 H new ATOM 0 HD12 ILE A 76 -2.121 -4.340 -9.863 1.00 0.56 H new ATOM 0 HD13 ILE A 76 -2.641 -3.557 -11.374 1.00 0.56 H new ATOM 1100 N PHE A 77 -6.868 -6.403 -11.892 1.00 0.36 N ATOM 1101 CA PHE A 77 -7.454 -7.714 -12.307 1.00 0.40 C ATOM 1102 C PHE A 77 -7.672 -7.738 -13.828 1.00 0.48 C ATOM 1103 O PHE A 77 -7.463 -8.752 -14.470 1.00 0.59 O ATOM 1104 CB PHE A 77 -8.795 -7.921 -11.594 1.00 0.42 C ATOM 1105 CG PHE A 77 -9.050 -9.401 -11.412 1.00 0.44 C ATOM 1106 CD1 PHE A 77 -9.589 -10.153 -12.462 1.00 0.62 C ATOM 1107 CD2 PHE A 77 -8.746 -10.019 -10.193 1.00 0.49 C ATOM 1108 CE1 PHE A 77 -9.822 -11.523 -12.294 1.00 0.71 C ATOM 1109 CE2 PHE A 77 -8.980 -11.389 -10.025 1.00 0.57 C ATOM 1110 CZ PHE A 77 -9.519 -12.140 -11.075 1.00 0.63 C ATOM 0 H PHE A 77 -7.504 -5.792 -11.380 1.00 0.36 H new ATOM 0 HA PHE A 77 -6.766 -8.514 -12.035 1.00 0.40 H new ATOM 0 HB2 PHE A 77 -8.784 -7.422 -10.625 1.00 0.42 H new ATOM 0 HB3 PHE A 77 -9.600 -7.472 -12.175 1.00 0.42 H new ATOM 0 HD1 PHE A 77 -9.825 -9.676 -13.402 1.00 0.62 H new ATOM 0 HD2 PHE A 77 -8.331 -9.439 -9.382 1.00 0.49 H new ATOM 0 HE1 PHE A 77 -10.236 -12.104 -13.105 1.00 0.71 H new ATOM 0 HE2 PHE A 77 -8.744 -11.866 -9.085 1.00 0.57 H new ATOM 0 HZ PHE A 77 -9.701 -13.196 -10.945 1.00 0.63 H new ATOM 1120 N LEU A 78 -8.091 -6.636 -14.406 1.00 0.49 N ATOM 1121 CA LEU A 78 -8.327 -6.595 -15.886 1.00 0.59 C ATOM 1122 C LEU A 78 -6.998 -6.744 -16.636 1.00 0.64 C ATOM 1123 O LEU A 78 -6.924 -7.420 -17.646 1.00 0.75 O ATOM 1124 CB LEU A 78 -8.975 -5.259 -16.267 1.00 0.64 C ATOM 1125 CG LEU A 78 -10.440 -5.261 -15.823 1.00 0.64 C ATOM 1126 CD1 LEU A 78 -10.936 -3.823 -15.687 1.00 0.71 C ATOM 1127 CD2 LEU A 78 -11.293 -5.999 -16.860 1.00 0.83 C ATOM 0 H LEU A 78 -8.280 -5.762 -13.916 1.00 0.49 H new ATOM 0 HA LEU A 78 -8.989 -7.417 -16.160 1.00 0.59 H new ATOM 0 HB2 LEU A 78 -8.441 -4.435 -15.794 1.00 0.64 H new ATOM 0 HB3 LEU A 78 -8.910 -5.104 -17.344 1.00 0.64 H new ATOM 0 HG LEU A 78 -10.523 -5.767 -14.861 1.00 0.64 H new ATOM 0 HD11 LEU A 78 -11.979 -3.826 -15.371 1.00 0.71 H new ATOM 0 HD12 LEU A 78 -10.334 -3.299 -14.945 1.00 0.71 H new ATOM 0 HD13 LEU A 78 -10.850 -3.316 -16.648 1.00 0.71 H new ATOM 0 HD21 LEU A 78 -12.335 -5.998 -16.541 1.00 0.83 H new ATOM 0 HD22 LEU A 78 -11.209 -5.497 -17.824 1.00 0.83 H new ATOM 0 HD23 LEU A 78 -10.943 -7.027 -16.954 1.00 0.83 H new ATOM 1139 N LYS A 79 -5.956 -6.108 -16.156 1.00 0.61 N ATOM 1140 CA LYS A 79 -4.629 -6.193 -16.840 1.00 0.69 C ATOM 1141 C LYS A 79 -3.935 -7.520 -16.518 1.00 0.69 C ATOM 1142 O LYS A 79 -3.521 -8.240 -17.409 1.00 0.84 O ATOM 1143 CB LYS A 79 -3.743 -5.039 -16.366 1.00 0.72 C ATOM 1144 CG LYS A 79 -3.463 -4.098 -17.535 1.00 1.22 C ATOM 1145 CD LYS A 79 -2.815 -2.819 -17.011 1.00 1.27 C ATOM 1146 CE LYS A 79 -1.650 -2.430 -17.919 1.00 1.46 C ATOM 1147 NZ LYS A 79 -0.889 -1.304 -17.303 1.00 2.02 N ATOM 0 H LYS A 79 -5.969 -5.531 -15.315 1.00 0.61 H new ATOM 0 HA LYS A 79 -4.788 -6.132 -17.917 1.00 0.69 H new ATOM 0 HB2 LYS A 79 -4.235 -4.497 -15.559 1.00 0.72 H new ATOM 0 HB3 LYS A 79 -2.806 -5.427 -15.965 1.00 0.72 H new ATOM 0 HG2 LYS A 79 -2.806 -4.583 -18.257 1.00 1.22 H new ATOM 0 HG3 LYS A 79 -4.391 -3.862 -18.057 1.00 1.22 H new ATOM 0 HD2 LYS A 79 -3.549 -2.014 -16.978 1.00 1.27 H new ATOM 0 HD3 LYS A 79 -2.461 -2.969 -15.991 1.00 1.27 H new ATOM 0 HE2 LYS A 79 -0.993 -3.286 -18.071 1.00 1.46 H new ATOM 0 HE3 LYS A 79 -2.023 -2.136 -18.900 1.00 1.46 H new ATOM 0 HZ1 LYS A 79 -0.096 -1.041 -17.923 1.00 2.02 H new ATOM 0 HZ2 LYS A 79 -1.519 -0.486 -17.180 1.00 2.02 H new ATOM 0 HZ3 LYS A 79 -0.521 -1.600 -16.377 1.00 2.02 H new ATOM 1161 N HIS A 80 -3.782 -7.836 -15.254 1.00 0.62 N ATOM 1162 CA HIS A 80 -3.085 -9.101 -14.868 1.00 0.69 C ATOM 1163 C HIS A 80 -4.105 -10.131 -14.370 1.00 0.65 C ATOM 1164 O HIS A 80 -4.229 -11.205 -14.932 1.00 0.82 O ATOM 1165 CB HIS A 80 -2.058 -8.799 -13.766 1.00 0.75 C ATOM 1166 CG HIS A 80 -1.345 -7.510 -14.090 1.00 0.94 C ATOM 1167 ND1 HIS A 80 -0.429 -7.410 -15.126 1.00 1.15 N ATOM 1168 CD2 HIS A 80 -1.427 -6.252 -13.543 1.00 1.09 C ATOM 1169 CE1 HIS A 80 -0.005 -6.134 -15.172 1.00 1.34 C ATOM 1170 NE2 HIS A 80 -0.582 -5.386 -14.229 1.00 1.33 N ATOM 0 H HIS A 80 -4.111 -7.270 -14.472 1.00 0.62 H new ATOM 0 HA HIS A 80 -2.571 -9.512 -15.737 1.00 0.69 H new ATOM 0 HB2 HIS A 80 -2.557 -8.719 -12.800 1.00 0.75 H new ATOM 0 HB3 HIS A 80 -1.340 -9.616 -13.688 1.00 0.75 H new ATOM 0 HD2 HIS A 80 -2.053 -5.977 -12.707 1.00 1.09 H new ATOM 0 HE1 HIS A 80 0.715 -5.760 -15.885 1.00 1.34 H new ATOM 0 HE2 HIS A 80 -0.435 -4.393 -14.050 1.00 1.33 H new ATOM 1178 N GLY A 81 -4.834 -9.815 -13.326 1.00 0.51 N ATOM 1179 CA GLY A 81 -5.847 -10.777 -12.792 1.00 0.52 C ATOM 1180 C GLY A 81 -5.585 -11.032 -11.306 1.00 0.48 C ATOM 1181 O GLY A 81 -5.469 -10.107 -10.522 1.00 0.54 O ATOM 0 H GLY A 81 -4.770 -8.931 -12.821 1.00 0.51 H new ATOM 0 HA2 GLY A 81 -6.851 -10.376 -12.930 1.00 0.52 H new ATOM 0 HA3 GLY A 81 -5.799 -11.715 -13.346 1.00 0.52 H new ATOM 1185 N SER A 82 -5.499 -12.281 -10.919 1.00 0.48 N ATOM 1186 CA SER A 82 -5.249 -12.618 -9.483 1.00 0.48 C ATOM 1187 C SER A 82 -3.809 -13.122 -9.300 1.00 0.47 C ATOM 1188 O SER A 82 -3.193 -12.882 -8.278 1.00 0.69 O ATOM 1189 CB SER A 82 -6.237 -13.702 -9.033 1.00 0.56 C ATOM 1190 OG SER A 82 -6.095 -14.856 -9.855 1.00 0.64 O ATOM 0 H SER A 82 -5.592 -13.085 -11.539 1.00 0.48 H new ATOM 0 HA SER A 82 -5.388 -11.723 -8.877 1.00 0.48 H new ATOM 0 HB2 SER A 82 -6.055 -13.962 -7.990 1.00 0.56 H new ATOM 0 HB3 SER A 82 -7.258 -13.324 -9.094 1.00 0.56 H new ATOM 0 HG SER A 82 -5.293 -15.351 -9.588 1.00 0.64 H new ATOM 1196 N GLU A 83 -3.273 -13.823 -10.277 1.00 0.52 N ATOM 1197 CA GLU A 83 -1.877 -14.352 -10.155 1.00 0.54 C ATOM 1198 C GLU A 83 -0.875 -13.190 -10.119 1.00 0.47 C ATOM 1199 O GLU A 83 -0.619 -12.542 -11.120 1.00 0.58 O ATOM 1200 CB GLU A 83 -1.568 -15.270 -11.343 1.00 0.72 C ATOM 1201 CG GLU A 83 -1.775 -16.732 -10.928 1.00 0.89 C ATOM 1202 CD GLU A 83 -3.273 -17.020 -10.774 1.00 1.04 C ATOM 1203 OE1 GLU A 83 -3.905 -17.326 -11.773 1.00 1.39 O ATOM 1204 OE2 GLU A 83 -3.763 -16.932 -9.659 1.00 1.10 O ATOM 0 H GLU A 83 -3.745 -14.050 -11.152 1.00 0.52 H new ATOM 0 HA GLU A 83 -1.791 -14.920 -9.229 1.00 0.54 H new ATOM 0 HB2 GLU A 83 -2.216 -15.024 -12.184 1.00 0.72 H new ATOM 0 HB3 GLU A 83 -0.542 -15.118 -11.677 1.00 0.72 H new ATOM 0 HG2 GLU A 83 -1.342 -17.397 -11.676 1.00 0.89 H new ATOM 0 HG3 GLU A 83 -1.259 -16.930 -9.989 1.00 0.89 H new ATOM 1211 N LEU A 84 -0.309 -12.932 -8.962 1.00 0.38 N ATOM 1212 CA LEU A 84 0.684 -11.822 -8.822 1.00 0.35 C ATOM 1213 C LEU A 84 1.851 -12.284 -7.936 1.00 0.29 C ATOM 1214 O LEU A 84 1.822 -13.359 -7.359 1.00 0.33 O ATOM 1215 CB LEU A 84 0.002 -10.604 -8.184 1.00 0.40 C ATOM 1216 CG LEU A 84 -0.868 -9.893 -9.229 1.00 0.49 C ATOM 1217 CD1 LEU A 84 -2.013 -9.160 -8.525 1.00 0.83 C ATOM 1218 CD2 LEU A 84 -0.015 -8.883 -10.007 1.00 0.57 C ATOM 0 H LEU A 84 -0.496 -13.449 -8.103 1.00 0.38 H new ATOM 0 HA LEU A 84 1.066 -11.549 -9.806 1.00 0.35 H new ATOM 0 HB2 LEU A 84 -0.611 -10.919 -7.340 1.00 0.40 H new ATOM 0 HB3 LEU A 84 0.753 -9.917 -7.794 1.00 0.40 H new ATOM 0 HG LEU A 84 -1.278 -10.629 -9.921 1.00 0.49 H new ATOM 0 HD11 LEU A 84 -2.632 -8.654 -9.266 1.00 0.83 H new ATOM 0 HD12 LEU A 84 -2.620 -9.878 -7.974 1.00 0.83 H new ATOM 0 HD13 LEU A 84 -1.603 -8.425 -7.832 1.00 0.83 H new ATOM 0 HD21 LEU A 84 -0.634 -8.379 -10.749 1.00 0.57 H new ATOM 0 HD22 LEU A 84 0.397 -8.146 -9.317 1.00 0.57 H new ATOM 0 HD23 LEU A 84 0.800 -9.405 -10.509 1.00 0.57 H new ATOM 1230 N ARG A 85 2.882 -11.481 -7.835 1.00 0.31 N ATOM 1231 CA ARG A 85 4.065 -11.858 -7.002 1.00 0.27 C ATOM 1232 C ARG A 85 4.623 -10.618 -6.297 1.00 0.26 C ATOM 1233 O ARG A 85 4.498 -9.508 -6.783 1.00 0.32 O ATOM 1234 CB ARG A 85 5.144 -12.452 -7.907 1.00 0.31 C ATOM 1235 CG ARG A 85 5.087 -13.978 -7.837 1.00 0.48 C ATOM 1236 CD ARG A 85 5.236 -14.557 -9.244 1.00 0.79 C ATOM 1237 NE ARG A 85 5.481 -16.023 -9.152 1.00 1.18 N ATOM 1238 CZ ARG A 85 6.661 -16.508 -9.440 1.00 1.57 C ATOM 1239 NH1 ARG A 85 7.665 -16.316 -8.623 1.00 2.38 N ATOM 1240 NH2 ARG A 85 6.835 -17.187 -10.544 1.00 1.72 N ATOM 0 H ARG A 85 2.955 -10.575 -8.297 1.00 0.31 H new ATOM 0 HA ARG A 85 3.762 -12.590 -6.253 1.00 0.27 H new ATOM 0 HB2 ARG A 85 4.996 -12.119 -8.934 1.00 0.31 H new ATOM 0 HB3 ARG A 85 6.128 -12.100 -7.597 1.00 0.31 H new ATOM 0 HG2 ARG A 85 5.881 -14.353 -7.191 1.00 0.48 H new ATOM 0 HG3 ARG A 85 4.142 -14.298 -7.398 1.00 0.48 H new ATOM 0 HD2 ARG A 85 4.335 -14.364 -9.826 1.00 0.79 H new ATOM 0 HD3 ARG A 85 6.062 -14.071 -9.764 1.00 0.79 H new ATOM 0 HE ARG A 85 4.729 -16.649 -8.864 1.00 1.18 H new ATOM 0 HH11 ARG A 85 7.527 -15.788 -7.761 1.00 2.38 H new ATOM 0 HH12 ARG A 85 8.585 -16.694 -8.848 1.00 2.38 H new ATOM 0 HH21 ARG A 85 6.051 -17.338 -11.179 1.00 1.72 H new ATOM 0 HH22 ARG A 85 7.755 -17.566 -10.770 1.00 1.72 H new ATOM 1254 N LEU A 86 5.242 -10.800 -5.154 1.00 0.30 N ATOM 1255 CA LEU A 86 5.815 -9.636 -4.415 1.00 0.34 C ATOM 1256 C LEU A 86 7.331 -9.585 -4.624 1.00 0.36 C ATOM 1257 O LEU A 86 8.057 -10.475 -4.213 1.00 0.45 O ATOM 1258 CB LEU A 86 5.516 -9.763 -2.919 1.00 0.41 C ATOM 1259 CG LEU A 86 5.681 -8.391 -2.257 1.00 0.54 C ATOM 1260 CD1 LEU A 86 4.322 -7.889 -1.762 1.00 0.78 C ATOM 1261 CD2 LEU A 86 6.644 -8.504 -1.073 1.00 0.80 C ATOM 0 H LEU A 86 5.374 -11.705 -4.703 1.00 0.30 H new ATOM 0 HA LEU A 86 5.362 -8.721 -4.796 1.00 0.34 H new ATOM 0 HB2 LEU A 86 4.502 -10.134 -2.768 1.00 0.41 H new ATOM 0 HB3 LEU A 86 6.191 -10.485 -2.460 1.00 0.41 H new ATOM 0 HG LEU A 86 6.083 -7.688 -2.986 1.00 0.54 H new ATOM 0 HD11 LEU A 86 4.444 -6.913 -1.292 1.00 0.78 H new ATOM 0 HD12 LEU A 86 3.637 -7.803 -2.605 1.00 0.78 H new ATOM 0 HD13 LEU A 86 3.916 -8.593 -1.036 1.00 0.78 H new ATOM 0 HD21 LEU A 86 6.760 -7.527 -0.604 1.00 0.80 H new ATOM 0 HD22 LEU A 86 6.245 -9.211 -0.346 1.00 0.80 H new ATOM 0 HD23 LEU A 86 7.614 -8.855 -1.425 1.00 0.80 H new ATOM 1273 N ILE A 87 7.809 -8.540 -5.255 1.00 0.45 N ATOM 1274 CA ILE A 87 9.276 -8.400 -5.497 1.00 0.50 C ATOM 1275 C ILE A 87 9.800 -7.158 -4.751 1.00 0.47 C ATOM 1276 O ILE A 87 9.187 -6.108 -4.795 1.00 0.45 O ATOM 1277 CB ILE A 87 9.541 -8.258 -7.006 1.00 0.55 C ATOM 1278 CG1 ILE A 87 11.052 -8.130 -7.248 1.00 0.65 C ATOM 1279 CG2 ILE A 87 8.827 -7.015 -7.556 1.00 0.55 C ATOM 1280 CD1 ILE A 87 11.355 -8.310 -8.739 1.00 0.66 C ATOM 0 H ILE A 87 7.240 -7.774 -5.615 1.00 0.45 H new ATOM 0 HA ILE A 87 9.793 -9.286 -5.129 1.00 0.50 H new ATOM 0 HB ILE A 87 9.159 -9.141 -7.519 1.00 0.55 H new ATOM 0 HG12 ILE A 87 11.402 -7.154 -6.911 1.00 0.65 H new ATOM 0 HG13 ILE A 87 11.588 -8.879 -6.665 1.00 0.65 H new ATOM 0 HG21 ILE A 87 9.023 -6.926 -8.625 1.00 0.55 H new ATOM 0 HG22 ILE A 87 7.754 -7.109 -7.390 1.00 0.55 H new ATOM 0 HG23 ILE A 87 9.197 -6.127 -7.044 1.00 0.55 H new ATOM 0 HD11 ILE A 87 12.428 -8.218 -8.906 1.00 0.66 H new ATOM 0 HD12 ILE A 87 11.020 -9.296 -9.062 1.00 0.66 H new ATOM 0 HD13 ILE A 87 10.832 -7.544 -9.312 1.00 0.66 H new ATOM 1292 N PRO A 88 10.926 -7.316 -4.092 1.00 0.52 N ATOM 1293 CA PRO A 88 11.563 -6.221 -3.339 1.00 0.53 C ATOM 1294 C PRO A 88 12.248 -5.235 -4.305 1.00 0.52 C ATOM 1295 O PRO A 88 13.455 -5.242 -4.471 1.00 0.65 O ATOM 1296 CB PRO A 88 12.578 -6.942 -2.443 1.00 0.62 C ATOM 1297 CG PRO A 88 12.862 -8.306 -3.112 1.00 0.68 C ATOM 1298 CD PRO A 88 11.664 -8.598 -4.035 1.00 0.61 C ATOM 0 HA PRO A 88 10.859 -5.622 -2.761 1.00 0.53 H new ATOM 0 HB2 PRO A 88 13.494 -6.359 -2.347 1.00 0.62 H new ATOM 0 HB3 PRO A 88 12.180 -7.078 -1.437 1.00 0.62 H new ATOM 0 HG2 PRO A 88 13.791 -8.273 -3.681 1.00 0.68 H new ATOM 0 HG3 PRO A 88 12.975 -9.090 -2.363 1.00 0.68 H new ATOM 0 HD2 PRO A 88 11.992 -8.912 -5.026 1.00 0.61 H new ATOM 0 HD3 PRO A 88 11.041 -9.399 -3.637 1.00 0.61 H new ATOM 1306 N ARG A 89 11.468 -4.390 -4.943 1.00 0.50 N ATOM 1307 CA ARG A 89 12.038 -3.390 -5.898 1.00 0.54 C ATOM 1308 C ARG A 89 12.489 -2.152 -5.111 1.00 0.58 C ATOM 1309 O ARG A 89 11.684 -1.324 -4.723 1.00 0.92 O ATOM 1310 CB ARG A 89 10.960 -2.992 -6.918 1.00 0.64 C ATOM 1311 CG ARG A 89 11.193 -3.720 -8.246 1.00 0.86 C ATOM 1312 CD ARG A 89 10.671 -2.848 -9.392 1.00 0.96 C ATOM 1313 NE ARG A 89 10.082 -3.706 -10.460 1.00 1.07 N ATOM 1314 CZ ARG A 89 8.794 -3.677 -10.686 1.00 1.06 C ATOM 1315 NH1 ARG A 89 8.290 -2.778 -11.493 1.00 1.48 N ATOM 1316 NH2 ARG A 89 8.009 -4.544 -10.103 1.00 1.28 N ATOM 0 H ARG A 89 10.454 -4.353 -4.840 1.00 0.50 H new ATOM 0 HA ARG A 89 12.890 -3.819 -6.425 1.00 0.54 H new ATOM 0 HB2 ARG A 89 9.972 -3.238 -6.529 1.00 0.64 H new ATOM 0 HB3 ARG A 89 10.980 -1.914 -7.078 1.00 0.64 H new ATOM 0 HG2 ARG A 89 12.255 -3.924 -8.382 1.00 0.86 H new ATOM 0 HG3 ARG A 89 10.681 -4.682 -8.242 1.00 0.86 H new ATOM 0 HD2 ARG A 89 9.920 -2.153 -9.017 1.00 0.96 H new ATOM 0 HD3 ARG A 89 11.483 -2.249 -9.803 1.00 0.96 H new ATOM 0 HE ARG A 89 10.683 -4.315 -11.014 1.00 1.07 H new ATOM 0 HH11 ARG A 89 8.902 -2.099 -11.946 1.00 1.48 H new ATOM 0 HH12 ARG A 89 7.285 -2.756 -11.669 1.00 1.48 H new ATOM 0 HH21 ARG A 89 8.401 -5.243 -9.472 1.00 1.28 H new ATOM 0 HH22 ARG A 89 7.005 -4.522 -10.279 1.00 1.28 H new ATOM 1330 N ASP A 90 13.771 -2.033 -4.860 1.00 0.58 N ATOM 1331 CA ASP A 90 14.300 -0.865 -4.081 1.00 0.71 C ATOM 1332 C ASP A 90 15.769 -0.612 -4.447 1.00 1.01 C ATOM 1333 O ASP A 90 16.366 -1.348 -5.212 1.00 1.42 O ATOM 1334 CB ASP A 90 14.197 -1.166 -2.575 1.00 1.00 C ATOM 1335 CG ASP A 90 15.085 -2.370 -2.209 1.00 1.36 C ATOM 1336 OD1 ASP A 90 15.013 -3.376 -2.894 1.00 1.50 O ATOM 1337 OD2 ASP A 90 15.824 -2.260 -1.244 1.00 1.65 O ATOM 0 H ASP A 90 14.480 -2.700 -5.164 1.00 0.58 H new ATOM 0 HA ASP A 90 13.712 0.020 -4.322 1.00 0.71 H new ATOM 0 HB2 ASP A 90 14.503 -0.292 -2.001 1.00 1.00 H new ATOM 0 HB3 ASP A 90 13.161 -1.375 -2.309 1.00 1.00 H new ATOM 1342 N ARG A 91 16.352 0.428 -3.895 1.00 1.13 N ATOM 1343 CA ARG A 91 17.781 0.750 -4.188 1.00 1.55 C ATOM 1344 C ARG A 91 18.689 -0.102 -3.295 1.00 1.98 C ATOM 1345 O ARG A 91 19.427 -0.939 -3.774 1.00 2.45 O ATOM 1346 CB ARG A 91 18.041 2.239 -3.902 1.00 1.75 C ATOM 1347 CG ARG A 91 17.885 3.055 -5.191 1.00 2.54 C ATOM 1348 CD ARG A 91 19.262 3.415 -5.759 1.00 2.81 C ATOM 1349 NE ARG A 91 19.583 2.475 -6.872 1.00 3.81 N ATOM 1350 CZ ARG A 91 20.633 1.701 -6.806 1.00 4.32 C ATOM 1351 NH1 ARG A 91 20.916 1.061 -5.700 1.00 4.58 N ATOM 1352 NH2 ARG A 91 21.403 1.566 -7.851 1.00 4.90 N ATOM 0 H ARG A 91 15.892 1.070 -3.250 1.00 1.13 H new ATOM 0 HA ARG A 91 17.993 0.537 -5.236 1.00 1.55 H new ATOM 0 HB2 ARG A 91 17.343 2.600 -3.146 1.00 1.75 H new ATOM 0 HB3 ARG A 91 19.045 2.370 -3.498 1.00 1.75 H new ATOM 0 HG2 ARG A 91 17.319 2.483 -5.926 1.00 2.54 H new ATOM 0 HG3 ARG A 91 17.318 3.964 -4.989 1.00 2.54 H new ATOM 0 HD2 ARG A 91 19.264 4.443 -6.121 1.00 2.81 H new ATOM 0 HD3 ARG A 91 20.021 3.350 -4.979 1.00 2.81 H new ATOM 0 HE ARG A 91 18.977 2.436 -7.692 1.00 3.81 H new ATOM 0 HH11 ARG A 91 20.315 1.165 -4.883 1.00 4.58 H new ATOM 0 HH12 ARG A 91 21.738 0.458 -5.656 1.00 4.58 H new ATOM 0 HH21 ARG A 91 21.184 2.064 -8.714 1.00 4.90 H new ATOM 0 HH22 ARG A 91 22.224 0.963 -7.805 1.00 4.90 H new ATOM 1366 N VAL A 92 18.643 0.113 -1.999 1.00 2.13 N ATOM 1367 CA VAL A 92 19.513 -0.677 -1.072 1.00 2.82 C ATOM 1368 C VAL A 92 18.675 -1.279 0.063 1.00 2.79 C ATOM 1369 O VAL A 92 17.647 -0.748 0.444 1.00 2.71 O ATOM 1370 CB VAL A 92 20.590 0.243 -0.472 1.00 3.42 C ATOM 1371 CG1 VAL A 92 19.935 1.501 0.112 1.00 3.39 C ATOM 1372 CG2 VAL A 92 21.338 -0.498 0.645 1.00 4.14 C ATOM 0 H VAL A 92 18.041 0.801 -1.546 1.00 2.13 H new ATOM 0 HA VAL A 92 19.983 -1.484 -1.634 1.00 2.82 H new ATOM 0 HB VAL A 92 21.290 0.528 -1.258 1.00 3.42 H new ATOM 0 HG11 VAL A 92 20.703 2.148 0.535 1.00 3.39 H new ATOM 0 HG12 VAL A 92 19.405 2.035 -0.677 1.00 3.39 H new ATOM 0 HG13 VAL A 92 19.231 1.215 0.893 1.00 3.39 H new ATOM 0 HG21 VAL A 92 22.100 0.156 1.068 1.00 4.14 H new ATOM 0 HG22 VAL A 92 20.634 -0.787 1.425 1.00 4.14 H new ATOM 0 HG23 VAL A 92 21.812 -1.390 0.236 1.00 4.14 H new ATOM 1382 N GLY A 93 19.129 -2.380 0.607 1.00 3.15 N ATOM 1383 CA GLY A 93 18.405 -3.037 1.729 1.00 3.31 C ATOM 1384 C GLY A 93 18.104 -4.482 1.353 1.00 3.08 C ATOM 1385 O GLY A 93 18.771 -5.397 1.800 1.00 3.90 O ATOM 0 H GLY A 93 19.983 -2.855 0.315 1.00 3.15 H new ATOM 0 HA2 GLY A 93 19.008 -3.003 2.636 1.00 3.31 H new ATOM 0 HA3 GLY A 93 17.479 -2.504 1.942 1.00 3.31 H new ATOM 1389 N HIS A 94 17.102 -4.689 0.536 1.00 2.26 N ATOM 1390 CA HIS A 94 16.733 -6.075 0.119 1.00 2.35 C ATOM 1391 C HIS A 94 15.767 -6.005 -1.075 1.00 1.90 C ATOM 1392 O HIS A 94 14.756 -5.328 -0.965 1.00 1.62 O ATOM 1393 CB HIS A 94 16.075 -6.806 1.307 1.00 2.87 C ATOM 1394 CG HIS A 94 14.928 -5.979 1.848 1.00 2.85 C ATOM 1395 ND1 HIS A 94 15.126 -4.836 2.615 1.00 3.39 N ATOM 1396 CD2 HIS A 94 13.564 -6.103 1.715 1.00 3.09 C ATOM 1397 CE1 HIS A 94 13.916 -4.324 2.904 1.00 3.93 C ATOM 1398 NE2 HIS A 94 12.929 -5.055 2.380 1.00 3.83 N ATOM 1399 OXT HIS A 94 16.062 -6.621 -2.088 1.00 2.56 O ATOM 0 H HIS A 94 16.520 -3.952 0.138 1.00 2.26 H new ATOM 0 HA HIS A 94 17.624 -6.626 -0.182 1.00 2.35 H new ATOM 0 HB2 HIS A 94 15.712 -7.783 0.988 1.00 2.87 H new ATOM 0 HB3 HIS A 94 16.811 -6.980 2.092 1.00 2.87 H new ATOM 0 HD1 HIS A 94 16.026 -4.455 2.906 1.00 3.39 H new ATOM 0 HD2 HIS A 94 13.061 -6.893 1.177 1.00 3.09 H new ATOM 0 HE1 HIS A 94 13.762 -3.430 3.489 1.00 3.93 H new TER 1407 HIS A 94