USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 405 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 111 CYS SG : rot -173:sc= 1.14 USER MOD Set 1.2: A 119 HIS : no HE2:sc= -2.68 K(o=-0.43,f=-1.9) USER MOD Set 1.3: A 134 CYS SG : rot 113:sc= -0.0104 USER MOD Set 1.4: A 137 CYS SG : rot -35:sc= -1.04 USER MOD Set 1.5: A 139 SER OG : rot -106:sc= 1.54 USER MOD Set 1.6: A 141 TYR OH : rot 60:sc= 0.626 USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 166:sc= 1.22 (180deg=1.2) USER MOD Single : A 102 SER OG : rot -136:sc= 1.24 USER MOD Single : A 103 TYR OH : rot 35:sc= 1.2 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0.00776 USER MOD Single : A 114 SER OG : rot 180:sc= -0.299 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0.152 USER MOD Single : A 122 MET CE :methyl 162:sc= -0.425 (180deg=-0.668) USER MOD Single : A 125 LYS NZ :NH3+ -147:sc= 0.903 (180deg=0.318) USER MOD Single : A 127 THR OG1 : rot 139:sc= 1.23 USER MOD Single : A 129 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 142 LYS NZ :NH3+ -153:sc= 0.99 (180deg=0.578) USER MOD Single : A 144 ASN : amide:sc= -3.6 K(o=-3.6,f=-8.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 94 -5.572 -8.436 -0.397 1.00 0.62 N ATOM 2 CA MET A 94 -6.111 -8.058 0.914 1.00 0.66 C ATOM 3 C MET A 94 -5.824 -8.944 2.130 1.00 0.83 C ATOM 4 O MET A 94 -6.160 -8.599 3.256 1.00 1.91 O ATOM 5 CB MET A 94 -7.633 -7.984 0.773 1.00 0.67 C ATOM 6 CG MET A 94 -8.126 -7.289 -0.496 1.00 0.65 C ATOM 7 SD MET A 94 -9.728 -6.466 -0.339 1.00 0.87 S ATOM 8 CE MET A 94 -9.246 -4.783 -0.790 1.00 2.94 C ATOM 0 HA MET A 94 -5.591 -7.127 1.141 1.00 0.66 H new ATOM 0 HB2 MET A 94 -8.036 -8.997 0.796 1.00 0.67 H new ATOM 0 HB3 MET A 94 -8.039 -7.460 1.638 1.00 0.67 H new ATOM 0 HG2 MET A 94 -7.383 -6.552 -0.801 1.00 0.65 H new ATOM 0 HG3 MET A 94 -8.190 -8.027 -1.296 1.00 0.65 H new ATOM 0 HE1 MET A 94 -10.118 -4.131 -0.747 1.00 2.94 H new ATOM 0 HE2 MET A 94 -8.489 -4.422 -0.094 1.00 2.94 H new ATOM 0 HE3 MET A 94 -8.840 -4.780 -1.801 1.00 2.94 H new ATOM 18 N LYS A 95 -5.227 -10.106 1.924 1.00 0.89 N ATOM 19 CA LYS A 95 -4.753 -10.946 3.018 1.00 0.85 C ATOM 20 C LYS A 95 -3.721 -10.233 3.900 1.00 0.80 C ATOM 21 O LYS A 95 -3.913 -10.071 5.106 1.00 1.35 O ATOM 22 CB LYS A 95 -4.202 -12.258 2.426 1.00 0.91 C ATOM 23 CG LYS A 95 -3.293 -12.123 1.178 1.00 0.86 C ATOM 24 CD LYS A 95 -1.882 -12.607 1.516 1.00 0.88 C ATOM 25 CE LYS A 95 -0.837 -12.567 0.395 1.00 0.98 C ATOM 26 NZ LYS A 95 0.525 -12.797 0.955 1.00 2.10 N ATOM 0 H LYS A 95 -5.056 -10.495 0.997 1.00 0.89 H new ATOM 0 HA LYS A 95 -5.589 -11.171 3.680 1.00 0.85 H new ATOM 0 HB2 LYS A 95 -3.640 -12.774 3.204 1.00 0.91 H new ATOM 0 HB3 LYS A 95 -5.046 -12.897 2.166 1.00 0.91 H new ATOM 0 HG2 LYS A 95 -3.701 -12.708 0.353 1.00 0.86 H new ATOM 0 HG3 LYS A 95 -3.263 -11.085 0.848 1.00 0.86 H new ATOM 0 HD2 LYS A 95 -1.509 -12.007 2.346 1.00 0.88 H new ATOM 0 HD3 LYS A 95 -1.954 -13.634 1.873 1.00 0.88 H new ATOM 0 HE2 LYS A 95 -1.065 -13.327 -0.352 1.00 0.98 H new ATOM 0 HE3 LYS A 95 -0.872 -11.602 -0.111 1.00 0.98 H new ATOM 0 HZ1 LYS A 95 1.188 -13.004 0.181 1.00 2.10 H new ATOM 0 HZ2 LYS A 95 0.840 -11.946 1.463 1.00 2.10 H new ATOM 0 HZ3 LYS A 95 0.499 -13.602 1.613 1.00 2.10 H new ATOM 40 N ASP A 96 -2.637 -9.826 3.249 1.00 0.62 N ATOM 41 CA ASP A 96 -1.298 -9.530 3.764 1.00 0.60 C ATOM 42 C ASP A 96 -0.304 -9.455 2.570 1.00 0.60 C ATOM 43 O ASP A 96 0.423 -10.403 2.265 1.00 0.77 O ATOM 44 CB ASP A 96 -0.906 -10.571 4.807 1.00 0.79 C ATOM 45 CG ASP A 96 0.543 -10.395 5.253 1.00 1.18 C ATOM 46 OD1 ASP A 96 0.945 -9.218 5.381 1.00 2.11 O ATOM 47 OD2 ASP A 96 1.213 -11.438 5.403 1.00 2.06 O ATOM 0 H ASP A 96 -2.675 -9.679 2.240 1.00 0.62 H new ATOM 0 HA ASP A 96 -1.277 -8.563 4.267 1.00 0.60 H new ATOM 0 HB2 ASP A 96 -1.566 -10.490 5.670 1.00 0.79 H new ATOM 0 HB3 ASP A 96 -1.042 -11.571 4.395 1.00 0.79 H new ATOM 52 N PRO A 97 -0.413 -8.385 1.774 1.00 0.48 N ATOM 53 CA PRO A 97 0.276 -8.172 0.503 1.00 0.53 C ATOM 54 C PRO A 97 1.668 -7.559 0.666 1.00 0.52 C ATOM 55 O PRO A 97 2.644 -8.002 0.068 1.00 0.81 O ATOM 56 CB PRO A 97 -0.619 -7.154 -0.206 1.00 0.55 C ATOM 57 CG PRO A 97 -1.317 -6.373 0.912 1.00 0.47 C ATOM 58 CD PRO A 97 -1.455 -7.408 1.991 1.00 0.45 C ATOM 0 HA PRO A 97 0.426 -9.115 -0.022 1.00 0.53 H new ATOM 0 HB2 PRO A 97 -0.032 -6.490 -0.841 1.00 0.55 H new ATOM 0 HB3 PRO A 97 -1.345 -7.651 -0.850 1.00 0.55 H new ATOM 0 HG2 PRO A 97 -0.725 -5.519 1.242 1.00 0.47 H new ATOM 0 HG3 PRO A 97 -2.285 -5.986 0.594 1.00 0.47 H new ATOM 0 HD2 PRO A 97 -1.358 -6.953 2.977 1.00 0.45 H new ATOM 0 HD3 PRO A 97 -2.438 -7.877 1.952 1.00 0.45 H new ATOM 66 N ILE A 98 1.679 -6.473 1.431 1.00 0.44 N ATOM 67 CA ILE A 98 2.693 -5.482 1.707 1.00 0.49 C ATOM 68 C ILE A 98 2.375 -5.008 3.110 1.00 0.48 C ATOM 69 O ILE A 98 1.209 -4.827 3.465 1.00 0.44 O ATOM 70 CB ILE A 98 2.617 -4.261 0.768 1.00 0.56 C ATOM 71 CG1 ILE A 98 2.254 -4.519 -0.722 1.00 0.59 C ATOM 72 CG2 ILE A 98 3.920 -3.460 0.970 1.00 0.62 C ATOM 73 CD1 ILE A 98 3.418 -4.546 -1.705 1.00 0.58 C ATOM 0 H ILE A 98 0.833 -6.240 1.951 1.00 0.44 H new ATOM 0 HA ILE A 98 3.685 -5.914 1.577 1.00 0.49 H new ATOM 0 HB ILE A 98 1.741 -3.680 1.057 1.00 0.56 H new ATOM 0 HG12 ILE A 98 1.730 -5.472 -0.786 1.00 0.59 H new ATOM 0 HG13 ILE A 98 1.554 -3.748 -1.042 1.00 0.59 H new ATOM 0 HG21 ILE A 98 3.912 -2.583 0.323 1.00 0.62 H new ATOM 0 HG22 ILE A 98 3.995 -3.143 2.010 1.00 0.62 H new ATOM 0 HG23 ILE A 98 4.775 -4.087 0.719 1.00 0.62 H new ATOM 0 HD11 ILE A 98 3.041 -4.734 -2.710 1.00 0.58 H new ATOM 0 HD12 ILE A 98 3.934 -3.586 -1.684 1.00 0.58 H new ATOM 0 HD13 ILE A 98 4.113 -5.338 -1.425 1.00 0.58 H new ATOM 85 N ILE A 99 3.425 -4.773 3.869 1.00 0.52 N ATOM 86 CA ILE A 99 3.376 -4.312 5.240 1.00 0.53 C ATOM 87 C ILE A 99 3.868 -2.887 5.297 1.00 0.55 C ATOM 88 O ILE A 99 4.890 -2.542 4.709 1.00 0.60 O ATOM 89 CB ILE A 99 4.237 -5.240 6.111 1.00 0.60 C ATOM 90 CG1 ILE A 99 3.563 -6.623 6.187 1.00 0.65 C ATOM 91 CG2 ILE A 99 4.503 -4.651 7.507 1.00 0.66 C ATOM 92 CD1 ILE A 99 2.376 -6.681 7.157 1.00 0.70 C ATOM 0 H ILE A 99 4.379 -4.904 3.531 1.00 0.52 H new ATOM 0 HA ILE A 99 2.355 -4.337 5.620 1.00 0.53 H new ATOM 0 HB ILE A 99 5.218 -5.346 5.647 1.00 0.60 H new ATOM 0 HG12 ILE A 99 3.221 -6.905 5.191 1.00 0.65 H new ATOM 0 HG13 ILE A 99 4.305 -7.362 6.490 1.00 0.65 H new ATOM 0 HG21 ILE A 99 5.115 -5.344 8.084 1.00 0.66 H new ATOM 0 HG22 ILE A 99 5.027 -3.701 7.407 1.00 0.66 H new ATOM 0 HG23 ILE A 99 3.555 -4.490 8.021 1.00 0.66 H new ATOM 0 HD11 ILE A 99 1.954 -7.686 7.156 1.00 0.70 H new ATOM 0 HD12 ILE A 99 2.715 -6.431 8.162 1.00 0.70 H new ATOM 0 HD13 ILE A 99 1.614 -5.967 6.843 1.00 0.70 H new ATOM 104 N ILE A 100 3.143 -2.081 6.055 1.00 0.54 N ATOM 105 CA ILE A 100 3.485 -0.728 6.454 1.00 0.53 C ATOM 106 C ILE A 100 3.611 -0.776 7.962 1.00 0.47 C ATOM 107 O ILE A 100 2.851 -1.502 8.593 1.00 0.57 O ATOM 108 CB ILE A 100 2.340 0.192 5.989 1.00 0.55 C ATOM 109 CG1 ILE A 100 2.206 0.082 4.438 1.00 0.61 C ATOM 110 CG2 ILE A 100 2.539 1.652 6.430 1.00 0.62 C ATOM 111 CD1 ILE A 100 3.486 0.426 3.659 1.00 0.69 C ATOM 0 H ILE A 100 2.242 -2.375 6.432 1.00 0.54 H new ATOM 0 HA ILE A 100 4.411 -0.349 6.021 1.00 0.53 H new ATOM 0 HB ILE A 100 1.417 -0.139 6.465 1.00 0.55 H new ATOM 0 HG12 ILE A 100 1.904 -0.934 4.184 1.00 0.61 H new ATOM 0 HG13 ILE A 100 1.406 0.745 4.108 1.00 0.61 H new ATOM 0 HG21 ILE A 100 1.704 2.256 6.076 1.00 0.62 H new ATOM 0 HG22 ILE A 100 2.586 1.700 7.518 1.00 0.62 H new ATOM 0 HG23 ILE A 100 3.468 2.036 6.009 1.00 0.62 H new ATOM 0 HD11 ILE A 100 3.300 0.322 2.590 1.00 0.69 H new ATOM 0 HD12 ILE A 100 3.781 1.452 3.878 1.00 0.69 H new ATOM 0 HD13 ILE A 100 4.286 -0.252 3.956 1.00 0.69 H new ATOM 123 N GLU A 101 4.559 -0.033 8.515 1.00 0.96 N ATOM 124 CA GLU A 101 4.793 0.043 9.957 1.00 1.01 C ATOM 125 C GLU A 101 4.344 1.408 10.493 1.00 1.07 C ATOM 126 O GLU A 101 4.406 2.406 9.779 1.00 1.23 O ATOM 127 CB GLU A 101 6.270 -0.257 10.277 1.00 1.03 C ATOM 128 CG GLU A 101 6.359 -1.062 11.572 1.00 1.50 C ATOM 129 CD GLU A 101 7.775 -1.369 12.050 1.00 2.07 C ATOM 130 OE1 GLU A 101 8.699 -1.323 11.214 1.00 2.39 O ATOM 131 OE2 GLU A 101 7.912 -1.675 13.256 1.00 3.19 O ATOM 0 H GLU A 101 5.199 0.544 7.969 1.00 0.96 H new ATOM 0 HA GLU A 101 4.196 -0.716 10.463 1.00 1.01 H new ATOM 0 HB2 GLU A 101 6.724 -0.815 9.458 1.00 1.03 H new ATOM 0 HB3 GLU A 101 6.828 0.674 10.376 1.00 1.03 H new ATOM 0 HG2 GLU A 101 5.838 -0.515 12.358 1.00 1.50 H new ATOM 0 HG3 GLU A 101 5.827 -2.003 11.433 1.00 1.50 H new ATOM 138 N SER A 102 3.830 1.454 11.724 1.00 1.09 N ATOM 139 CA SER A 102 3.133 2.647 12.237 1.00 1.20 C ATOM 140 C SER A 102 3.478 3.023 13.684 1.00 1.55 C ATOM 141 O SER A 102 3.833 4.175 13.926 1.00 3.09 O ATOM 142 CB SER A 102 1.626 2.414 12.108 1.00 1.27 C ATOM 143 OG SER A 102 0.828 3.374 12.752 1.00 2.24 O ATOM 0 H SER A 102 3.881 0.681 12.388 1.00 1.09 H new ATOM 0 HA SER A 102 3.471 3.491 11.636 1.00 1.20 H new ATOM 0 HB2 SER A 102 1.364 2.394 11.050 1.00 1.27 H new ATOM 0 HB3 SER A 102 1.388 1.431 12.514 1.00 1.27 H new ATOM 0 HG SER A 102 0.104 2.926 13.236 1.00 2.24 H new ATOM 149 N TYR A 103 3.320 2.074 14.624 1.00 0.83 N ATOM 150 CA TYR A 103 3.335 2.239 16.100 1.00 0.83 C ATOM 151 C TYR A 103 1.997 2.729 16.683 1.00 0.88 C ATOM 152 O TYR A 103 1.900 3.041 17.866 1.00 1.19 O ATOM 153 CB TYR A 103 4.564 3.018 16.575 1.00 1.00 C ATOM 154 CG TYR A 103 5.846 2.397 16.060 1.00 1.17 C ATOM 155 CD1 TYR A 103 6.125 1.056 16.378 1.00 1.56 C ATOM 156 CD2 TYR A 103 6.710 3.103 15.203 1.00 2.48 C ATOM 157 CE1 TYR A 103 7.251 0.415 15.861 1.00 1.71 C ATOM 158 CE2 TYR A 103 7.853 2.466 14.679 1.00 2.73 C ATOM 159 CZ TYR A 103 8.114 1.110 14.983 1.00 1.77 C ATOM 160 OH TYR A 103 9.136 0.467 14.362 1.00 2.16 O ATOM 0 H TYR A 103 3.167 1.101 14.360 1.00 0.83 H new ATOM 0 HA TYR A 103 3.441 1.241 16.525 1.00 0.83 H new ATOM 0 HB2 TYR A 103 4.496 4.051 16.234 1.00 1.00 H new ATOM 0 HB3 TYR A 103 4.582 3.043 17.665 1.00 1.00 H new ATOM 0 HD1 TYR A 103 5.458 0.514 17.032 1.00 1.56 H new ATOM 0 HD2 TYR A 103 6.498 4.131 14.947 1.00 2.48 H new ATOM 0 HE1 TYR A 103 7.463 -0.609 16.131 1.00 1.71 H new ATOM 0 HE2 TYR A 103 8.532 3.015 14.043 1.00 2.73 H new ATOM 0 HH TYR A 103 8.864 -0.450 14.148 1.00 2.16 H new ATOM 170 N ASP A 104 0.974 2.706 15.831 1.00 0.86 N ATOM 171 CA ASP A 104 -0.423 3.103 16.042 1.00 1.01 C ATOM 172 C ASP A 104 -1.295 2.216 15.133 1.00 1.04 C ATOM 173 O ASP A 104 -0.813 1.765 14.089 1.00 2.00 O ATOM 174 CB ASP A 104 -0.670 4.574 15.624 1.00 1.24 C ATOM 175 CG ASP A 104 0.171 5.661 16.314 1.00 1.75 C ATOM 176 OD1 ASP A 104 1.414 5.651 16.175 1.00 2.28 O ATOM 177 OD2 ASP A 104 -0.396 6.670 16.788 1.00 2.74 O ATOM 0 H ASP A 104 1.114 2.375 14.876 1.00 0.86 H new ATOM 0 HA ASP A 104 -0.662 2.994 17.100 1.00 1.01 H new ATOM 0 HB2 ASP A 104 -0.502 4.651 14.550 1.00 1.24 H new ATOM 0 HB3 ASP A 104 -1.722 4.801 15.799 1.00 1.24 H new ATOM 182 N ASP A 105 -2.579 2.032 15.452 1.00 1.07 N ATOM 183 CA ASP A 105 -3.541 1.297 14.609 1.00 0.86 C ATOM 184 C ASP A 105 -3.712 1.877 13.185 1.00 0.68 C ATOM 185 O ASP A 105 -4.229 1.186 12.305 1.00 0.84 O ATOM 186 CB ASP A 105 -4.929 1.297 15.295 1.00 0.97 C ATOM 187 CG ASP A 105 -5.111 0.354 16.495 1.00 1.83 C ATOM 188 OD1 ASP A 105 -4.311 0.457 17.452 1.00 2.47 O ATOM 189 OD2 ASP A 105 -6.099 -0.419 16.461 1.00 2.93 O ATOM 0 H ASP A 105 -2.990 2.392 16.313 1.00 1.07 H new ATOM 0 HA ASP A 105 -3.133 0.292 14.501 1.00 0.86 H new ATOM 0 HB2 ASP A 105 -5.144 2.313 15.626 1.00 0.97 H new ATOM 0 HB3 ASP A 105 -5.678 1.041 14.546 1.00 0.97 H new ATOM 194 N TYR A 106 -3.311 3.132 12.949 1.00 0.67 N ATOM 195 CA TYR A 106 -3.795 3.964 11.834 1.00 0.77 C ATOM 196 C TYR A 106 -2.808 5.061 11.364 1.00 1.13 C ATOM 197 O TYR A 106 -2.945 6.245 11.682 1.00 2.36 O ATOM 198 CB TYR A 106 -5.192 4.524 12.199 1.00 0.91 C ATOM 199 CG TYR A 106 -5.453 4.833 13.673 1.00 1.02 C ATOM 200 CD1 TYR A 106 -4.553 5.610 14.437 1.00 1.55 C ATOM 201 CD2 TYR A 106 -6.587 4.280 14.302 1.00 2.46 C ATOM 202 CE1 TYR A 106 -4.760 5.797 15.814 1.00 1.60 C ATOM 203 CE2 TYR A 106 -6.806 4.468 15.681 1.00 2.90 C ATOM 204 CZ TYR A 106 -5.884 5.219 16.445 1.00 1.89 C ATOM 205 OH TYR A 106 -6.067 5.370 17.785 1.00 2.45 O ATOM 0 H TYR A 106 -2.628 3.609 13.537 1.00 0.67 H new ATOM 0 HA TYR A 106 -3.876 3.321 10.957 1.00 0.77 H new ATOM 0 HB2 TYR A 106 -5.350 5.439 11.628 1.00 0.91 H new ATOM 0 HB3 TYR A 106 -5.942 3.807 11.865 1.00 0.91 H new ATOM 0 HD1 TYR A 106 -3.698 6.064 13.958 1.00 1.55 H new ATOM 0 HD2 TYR A 106 -7.295 3.707 13.721 1.00 2.46 H new ATOM 0 HE1 TYR A 106 -4.059 6.383 16.390 1.00 1.60 H new ATOM 0 HE2 TYR A 106 -7.677 4.039 16.154 1.00 2.90 H new ATOM 0 HH TYR A 106 -6.889 4.911 18.057 1.00 2.45 H new ATOM 215 N ARG A 107 -1.830 4.681 10.529 1.00 0.53 N ATOM 216 CA ARG A 107 -0.970 5.621 9.772 1.00 0.63 C ATOM 217 C ARG A 107 -0.932 5.326 8.258 1.00 0.72 C ATOM 218 O ARG A 107 -1.417 4.303 7.774 1.00 1.22 O ATOM 219 CB ARG A 107 0.444 5.709 10.394 1.00 1.07 C ATOM 220 CG ARG A 107 0.434 6.402 11.774 1.00 1.99 C ATOM 221 CD ARG A 107 1.842 6.515 12.384 1.00 2.27 C ATOM 222 NE ARG A 107 1.791 6.979 13.782 1.00 3.42 N ATOM 223 CZ ARG A 107 1.805 8.211 14.274 1.00 4.29 C ATOM 224 NH1 ARG A 107 2.050 9.264 13.521 1.00 4.55 N ATOM 225 NH2 ARG A 107 1.574 8.392 15.555 1.00 5.52 N ATOM 0 H ARG A 107 -1.606 3.701 10.354 1.00 0.53 H new ATOM 0 HA ARG A 107 -1.429 6.606 9.860 1.00 0.63 H new ATOM 0 HB2 ARG A 107 0.857 4.705 10.497 1.00 1.07 H new ATOM 0 HB3 ARG A 107 1.102 6.257 9.719 1.00 1.07 H new ATOM 0 HG2 ARG A 107 0.003 7.398 11.674 1.00 1.99 H new ATOM 0 HG3 ARG A 107 -0.210 5.843 12.453 1.00 1.99 H new ATOM 0 HD2 ARG A 107 2.337 5.545 12.340 1.00 2.27 H new ATOM 0 HD3 ARG A 107 2.441 7.207 11.792 1.00 2.27 H new ATOM 0 HE ARG A 107 1.736 6.237 14.480 1.00 3.42 H new ATOM 0 HH11 ARG A 107 2.237 9.146 12.525 1.00 4.55 H new ATOM 0 HH12 ARG A 107 2.053 10.197 13.934 1.00 4.55 H new ATOM 0 HH21 ARG A 107 1.387 7.591 16.158 1.00 5.52 H new ATOM 0 HH22 ARG A 107 1.582 9.334 15.947 1.00 5.52 H new ATOM 239 N TYR A 108 -0.385 6.274 7.488 1.00 0.57 N ATOM 240 CA TYR A 108 -0.340 6.254 6.021 1.00 0.53 C ATOM 241 C TYR A 108 0.928 5.586 5.443 1.00 0.51 C ATOM 242 O TYR A 108 1.867 5.289 6.174 1.00 0.64 O ATOM 243 CB TYR A 108 -0.555 7.692 5.500 1.00 0.61 C ATOM 244 CG TYR A 108 0.723 8.444 5.203 1.00 0.68 C ATOM 245 CD1 TYR A 108 1.491 8.956 6.264 1.00 1.69 C ATOM 246 CD2 TYR A 108 1.189 8.546 3.876 1.00 1.96 C ATOM 247 CE1 TYR A 108 2.735 9.561 6.009 1.00 1.64 C ATOM 248 CE2 TYR A 108 2.434 9.143 3.622 1.00 2.15 C ATOM 249 CZ TYR A 108 3.212 9.655 4.682 1.00 1.03 C ATOM 250 OH TYR A 108 4.423 10.216 4.420 1.00 1.27 O ATOM 0 H TYR A 108 0.054 7.106 7.883 1.00 0.57 H new ATOM 0 HA TYR A 108 -1.149 5.617 5.663 1.00 0.53 H new ATOM 0 HB2 TYR A 108 -1.158 7.651 4.593 1.00 0.61 H new ATOM 0 HB3 TYR A 108 -1.129 8.252 6.239 1.00 0.61 H new ATOM 0 HD1 TYR A 108 1.125 8.884 7.277 1.00 1.69 H new ATOM 0 HD2 TYR A 108 0.592 8.167 3.060 1.00 1.96 H new ATOM 0 HE1 TYR A 108 3.324 9.953 6.825 1.00 1.64 H new ATOM 0 HE2 TYR A 108 2.799 9.211 2.608 1.00 2.15 H new ATOM 0 HH TYR A 108 4.591 10.196 3.455 1.00 1.27 H new ATOM 260 N VAL A 109 0.936 5.381 4.126 1.00 0.53 N ATOM 261 CA VAL A 109 2.075 4.936 3.315 1.00 0.56 C ATOM 262 C VAL A 109 2.350 5.905 2.171 1.00 0.54 C ATOM 263 O VAL A 109 1.413 6.382 1.535 1.00 0.55 O ATOM 264 CB VAL A 109 1.830 3.536 2.721 1.00 0.66 C ATOM 265 CG1 VAL A 109 0.512 3.377 1.968 1.00 0.67 C ATOM 266 CG2 VAL A 109 2.950 3.127 1.764 1.00 0.89 C ATOM 0 H VAL A 109 0.100 5.529 3.561 1.00 0.53 H new ATOM 0 HA VAL A 109 2.937 4.902 3.981 1.00 0.56 H new ATOM 0 HB VAL A 109 1.796 2.892 3.600 1.00 0.66 H new ATOM 0 HG11 VAL A 109 0.431 2.359 1.588 1.00 0.67 H new ATOM 0 HG12 VAL A 109 -0.319 3.579 2.643 1.00 0.67 H new ATOM 0 HG13 VAL A 109 0.482 4.079 1.135 1.00 0.67 H new ATOM 0 HG21 VAL A 109 2.743 2.134 1.365 1.00 0.89 H new ATOM 0 HG22 VAL A 109 3.008 3.843 0.944 1.00 0.89 H new ATOM 0 HG23 VAL A 109 3.899 3.112 2.300 1.00 0.89 H new ATOM 276 N GLY A 110 3.638 6.092 1.876 1.00 0.58 N ATOM 277 CA GLY A 110 4.152 6.666 0.632 1.00 0.63 C ATOM 278 C GLY A 110 4.692 5.591 -0.319 1.00 0.52 C ATOM 279 O GLY A 110 5.874 5.267 -0.211 1.00 0.72 O ATOM 0 H GLY A 110 4.382 5.837 2.525 1.00 0.58 H new ATOM 0 HA2 GLY A 110 3.358 7.223 0.135 1.00 0.63 H new ATOM 0 HA3 GLY A 110 4.945 7.378 0.862 1.00 0.63 H new ATOM 283 N CYS A 111 3.882 5.064 -1.251 1.00 0.37 N ATOM 284 CA CYS A 111 4.328 4.089 -2.243 1.00 0.41 C ATOM 285 C CYS A 111 4.473 4.669 -3.658 1.00 0.50 C ATOM 286 O CYS A 111 3.695 5.509 -4.123 1.00 0.54 O ATOM 287 CB CYS A 111 3.388 2.880 -2.232 1.00 0.60 C ATOM 288 SG CYS A 111 1.961 2.911 -3.393 1.00 1.22 S ATOM 0 H CYS A 111 2.895 5.308 -1.333 1.00 0.37 H new ATOM 0 HA CYS A 111 5.333 3.778 -1.957 1.00 0.41 H new ATOM 0 HB2 CYS A 111 3.980 1.991 -2.448 1.00 0.60 H new ATOM 0 HB3 CYS A 111 2.998 2.765 -1.221 1.00 0.60 H new ATOM 0 HG CYS A 111 1.193 1.887 -3.165 1.00 1.22 H new ATOM 293 N THR A 112 5.458 4.125 -4.369 1.00 0.66 N ATOM 294 CA THR A 112 5.794 4.468 -5.755 1.00 0.76 C ATOM 295 C THR A 112 5.597 3.326 -6.746 1.00 0.85 C ATOM 296 O THR A 112 5.940 3.432 -7.924 1.00 1.02 O ATOM 297 CB THR A 112 7.252 4.908 -5.811 1.00 1.00 C ATOM 298 OG1 THR A 112 7.987 3.887 -5.160 1.00 1.22 O ATOM 299 CG2 THR A 112 7.407 6.235 -5.079 1.00 0.99 C ATOM 0 H THR A 112 6.069 3.405 -3.984 1.00 0.66 H new ATOM 0 HA THR A 112 5.109 5.263 -6.051 1.00 0.76 H new ATOM 0 HB THR A 112 7.603 5.053 -6.833 1.00 1.00 H new ATOM 0 HG1 THR A 112 8.940 4.115 -5.166 1.00 1.22 H new ATOM 0 HG21 THR A 112 8.449 6.552 -5.117 1.00 0.99 H new ATOM 0 HG22 THR A 112 6.780 6.989 -5.556 1.00 0.99 H new ATOM 0 HG23 THR A 112 7.102 6.115 -4.039 1.00 0.99 H new ATOM 307 N GLY A 113 5.059 2.198 -6.277 1.00 0.89 N ATOM 308 CA GLY A 113 5.013 0.955 -7.056 1.00 1.08 C ATOM 309 C GLY A 113 5.340 -0.306 -6.270 1.00 1.58 C ATOM 310 O GLY A 113 4.960 -1.406 -6.662 1.00 2.58 O ATOM 0 H GLY A 113 4.643 2.119 -5.349 1.00 0.89 H new ATOM 0 HA2 GLY A 113 4.017 0.850 -7.486 1.00 1.08 H new ATOM 0 HA3 GLY A 113 5.712 1.039 -7.888 1.00 1.08 H new ATOM 314 N SER A 114 6.137 -0.094 -5.228 1.00 1.63 N ATOM 315 CA SER A 114 7.275 -0.921 -4.765 1.00 1.91 C ATOM 316 C SER A 114 8.552 -0.162 -5.141 1.00 1.39 C ATOM 317 O SER A 114 8.507 0.503 -6.183 1.00 1.60 O ATOM 318 CB SER A 114 7.314 -2.354 -5.341 1.00 2.78 C ATOM 319 OG SER A 114 8.283 -3.159 -4.691 1.00 3.96 O ATOM 0 H SER A 114 6.004 0.722 -4.630 1.00 1.63 H new ATOM 0 HA SER A 114 7.171 -1.067 -3.690 1.00 1.91 H new ATOM 0 HB2 SER A 114 6.331 -2.814 -5.237 1.00 2.78 H new ATOM 0 HB3 SER A 114 7.534 -2.311 -6.408 1.00 2.78 H new ATOM 0 HG SER A 114 8.277 -4.058 -5.081 1.00 3.96 H new ATOM 325 N PRO A 115 9.638 -0.206 -4.333 1.00 1.76 N ATOM 326 CA PRO A 115 10.882 0.483 -4.641 1.00 1.66 C ATOM 327 C PRO A 115 11.477 -0.034 -5.943 1.00 1.61 C ATOM 328 O PRO A 115 12.204 -1.025 -5.951 1.00 2.86 O ATOM 329 CB PRO A 115 11.837 0.258 -3.467 1.00 2.53 C ATOM 330 CG PRO A 115 11.255 -0.964 -2.759 1.00 3.23 C ATOM 331 CD PRO A 115 9.757 -0.824 -3.016 1.00 2.97 C ATOM 0 HA PRO A 115 10.704 1.550 -4.778 1.00 1.66 H new ATOM 0 HB2 PRO A 115 12.856 0.076 -3.808 1.00 2.53 H new ATOM 0 HB3 PRO A 115 11.872 1.125 -2.807 1.00 2.53 H new ATOM 0 HG2 PRO A 115 11.650 -1.894 -3.168 1.00 3.23 H new ATOM 0 HG3 PRO A 115 11.484 -0.961 -1.693 1.00 3.23 H new ATOM 0 HD2 PRO A 115 9.263 -1.796 -2.993 1.00 2.97 H new ATOM 0 HD3 PRO A 115 9.284 -0.209 -2.251 1.00 2.97 H new ATOM 339 N ALA A 116 11.127 0.678 -7.009 1.00 1.28 N ATOM 340 CA ALA A 116 11.694 0.662 -8.366 1.00 1.62 C ATOM 341 C ALA A 116 10.952 1.593 -9.353 1.00 1.78 C ATOM 342 O ALA A 116 11.030 1.414 -10.571 1.00 2.50 O ATOM 343 CB ALA A 116 11.844 -0.783 -8.866 1.00 2.03 C ATOM 0 H ALA A 116 10.363 1.350 -6.944 1.00 1.28 H new ATOM 0 HA ALA A 116 12.695 1.089 -8.312 1.00 1.62 H new ATOM 0 HB1 ALA A 116 12.265 -0.778 -9.871 1.00 2.03 H new ATOM 0 HB2 ALA A 116 12.507 -1.332 -8.198 1.00 2.03 H new ATOM 0 HB3 ALA A 116 10.867 -1.265 -8.884 1.00 2.03 H new ATOM 349 N GLY A 117 10.221 2.596 -8.845 1.00 1.40 N ATOM 350 CA GLY A 117 9.677 3.701 -9.640 1.00 1.60 C ATOM 351 C GLY A 117 8.597 3.275 -10.625 1.00 1.66 C ATOM 352 O GLY A 117 8.598 3.737 -11.769 1.00 2.25 O ATOM 0 H GLY A 117 9.989 2.661 -7.854 1.00 1.40 H new ATOM 0 HA2 GLY A 117 9.265 4.453 -8.967 1.00 1.60 H new ATOM 0 HA3 GLY A 117 10.490 4.176 -10.189 1.00 1.60 H new ATOM 356 N SER A 118 7.666 2.413 -10.206 1.00 1.42 N ATOM 357 CA SER A 118 6.591 1.931 -11.090 1.00 1.67 C ATOM 358 C SER A 118 5.717 3.070 -11.594 1.00 1.48 C ATOM 359 O SER A 118 5.289 3.030 -12.741 1.00 1.90 O ATOM 360 CB SER A 118 5.642 0.951 -10.398 1.00 1.74 C ATOM 361 OG SER A 118 4.907 0.180 -11.334 1.00 2.97 O ATOM 0 H SER A 118 7.632 2.032 -9.260 1.00 1.42 H new ATOM 0 HA SER A 118 7.118 1.438 -11.907 1.00 1.67 H new ATOM 0 HB2 SER A 118 6.214 0.287 -9.750 1.00 1.74 H new ATOM 0 HB3 SER A 118 4.952 1.503 -9.760 1.00 1.74 H new ATOM 0 HG SER A 118 4.313 -0.435 -10.856 1.00 2.97 H new ATOM 367 N HIS A 119 5.467 4.078 -10.761 1.00 0.95 N ATOM 368 CA HIS A 119 4.624 5.233 -11.070 1.00 0.82 C ATOM 369 C HIS A 119 5.258 6.556 -10.616 1.00 0.91 C ATOM 370 O HIS A 119 6.472 6.725 -10.782 1.00 1.58 O ATOM 371 CB HIS A 119 3.219 4.910 -10.548 1.00 0.66 C ATOM 372 CG HIS A 119 3.034 4.762 -9.048 1.00 0.52 C ATOM 373 ND1 HIS A 119 2.690 5.720 -8.150 1.00 0.52 N ATOM 374 CD2 HIS A 119 2.901 3.557 -8.441 1.00 0.52 C ATOM 375 CE1 HIS A 119 2.443 5.142 -6.968 1.00 0.48 C ATOM 376 NE2 HIS A 119 2.477 3.812 -7.134 1.00 0.49 N ATOM 0 H HIS A 119 5.859 4.115 -9.820 1.00 0.95 H new ATOM 0 HA HIS A 119 4.532 5.408 -12.142 1.00 0.82 H new ATOM 0 HB2 HIS A 119 2.546 5.695 -10.892 1.00 0.66 H new ATOM 0 HB3 HIS A 119 2.893 3.982 -11.018 1.00 0.66 H new ATOM 0 HD1 HIS A 119 2.629 6.719 -8.344 1.00 0.52 H new ATOM 0 HD2 HIS A 119 3.087 2.589 -8.882 1.00 0.52 H new ATOM 0 HE1 HIS A 119 2.249 5.659 -6.040 1.00 0.48 H new ATOM 384 N THR A 120 4.444 7.479 -10.095 1.00 0.75 N ATOM 385 CA THR A 120 4.887 8.563 -9.212 1.00 0.84 C ATOM 386 C THR A 120 4.929 8.042 -7.774 1.00 0.83 C ATOM 387 O THR A 120 5.285 6.896 -7.566 1.00 0.86 O ATOM 388 CB THR A 120 4.004 9.773 -9.494 1.00 0.89 C ATOM 389 OG1 THR A 120 4.560 10.906 -8.876 1.00 1.04 O ATOM 390 CG2 THR A 120 2.574 9.606 -8.987 1.00 0.80 C ATOM 0 H THR A 120 3.441 7.494 -10.278 1.00 0.75 H new ATOM 0 HA THR A 120 5.906 8.904 -9.394 1.00 0.84 H new ATOM 0 HB THR A 120 3.961 9.883 -10.578 1.00 0.89 H new ATOM 0 HG1 THR A 120 3.996 11.687 -9.056 1.00 1.04 H new ATOM 0 HG21 THR A 120 1.999 10.502 -9.219 1.00 0.80 H new ATOM 0 HG22 THR A 120 2.115 8.744 -9.471 1.00 0.80 H new ATOM 0 HG23 THR A 120 2.586 9.452 -7.908 1.00 0.80 H new ATOM 398 N ILE A 121 4.535 8.858 -6.808 1.00 0.86 N ATOM 399 CA ILE A 121 4.364 8.614 -5.379 1.00 0.83 C ATOM 400 C ILE A 121 2.938 8.935 -4.916 1.00 0.76 C ATOM 401 O ILE A 121 2.335 9.908 -5.357 1.00 0.84 O ATOM 402 CB ILE A 121 5.410 9.446 -4.606 1.00 0.99 C ATOM 403 CG1 ILE A 121 5.238 9.279 -3.093 1.00 0.92 C ATOM 404 CG2 ILE A 121 5.347 10.951 -4.877 1.00 1.15 C ATOM 405 CD1 ILE A 121 5.734 7.950 -2.592 1.00 0.97 C ATOM 0 H ILE A 121 4.298 9.824 -7.033 1.00 0.86 H new ATOM 0 HA ILE A 121 4.521 7.555 -5.175 1.00 0.83 H new ATOM 0 HB ILE A 121 6.365 9.060 -4.962 1.00 0.99 H new ATOM 0 HG12 ILE A 121 5.774 10.078 -2.581 1.00 0.92 H new ATOM 0 HG13 ILE A 121 4.184 9.388 -2.838 1.00 0.92 H new ATOM 0 HG21 ILE A 121 6.116 11.458 -4.294 1.00 1.15 H new ATOM 0 HG22 ILE A 121 5.514 11.137 -5.938 1.00 1.15 H new ATOM 0 HG23 ILE A 121 4.366 11.331 -4.592 1.00 1.15 H new ATOM 0 HD11 ILE A 121 5.586 7.889 -1.514 1.00 0.97 H new ATOM 0 HD12 ILE A 121 5.181 7.148 -3.080 1.00 0.97 H new ATOM 0 HD13 ILE A 121 6.795 7.849 -2.819 1.00 0.97 H new ATOM 417 N MET A 122 2.421 8.099 -4.011 1.00 0.68 N ATOM 418 CA MET A 122 1.056 8.103 -3.516 1.00 0.70 C ATOM 419 C MET A 122 0.881 7.924 -2.019 1.00 0.59 C ATOM 420 O MET A 122 1.664 7.240 -1.377 1.00 0.70 O ATOM 421 CB MET A 122 0.437 6.882 -4.148 1.00 1.02 C ATOM 422 CG MET A 122 0.189 7.205 -5.588 1.00 1.00 C ATOM 423 SD MET A 122 -1.089 8.454 -5.809 1.00 3.05 S ATOM 424 CE MET A 122 -0.405 9.378 -7.205 1.00 4.92 C ATOM 0 H MET A 122 2.982 7.362 -3.585 1.00 0.68 H new ATOM 0 HA MET A 122 0.623 9.075 -3.752 1.00 0.70 H new ATOM 0 HB2 MET A 122 1.101 6.023 -4.056 1.00 1.02 H new ATOM 0 HB3 MET A 122 -0.495 6.620 -3.647 1.00 1.02 H new ATOM 0 HG2 MET A 122 1.116 7.555 -6.043 1.00 1.00 H new ATOM 0 HG3 MET A 122 -0.102 6.296 -6.115 1.00 1.00 H new ATOM 0 HE1 MET A 122 -1.193 9.969 -7.671 1.00 4.92 H new ATOM 0 HE2 MET A 122 0.385 10.041 -6.851 1.00 4.92 H new ATOM 0 HE3 MET A 122 0.006 8.682 -7.936 1.00 4.92 H new ATOM 434 N TRP A 123 -0.238 8.434 -1.501 1.00 0.54 N ATOM 435 CA TRP A 123 -0.483 8.526 -0.053 1.00 0.56 C ATOM 436 C TRP A 123 -1.673 7.648 0.383 1.00 0.54 C ATOM 437 O TRP A 123 -2.826 8.108 0.416 1.00 0.75 O ATOM 438 CB TRP A 123 -0.630 9.996 0.385 1.00 0.72 C ATOM 439 CG TRP A 123 0.200 11.017 -0.339 1.00 0.87 C ATOM 440 CD1 TRP A 123 -0.280 12.098 -0.997 1.00 1.22 C ATOM 441 CD2 TRP A 123 1.656 11.096 -0.465 1.00 0.98 C ATOM 442 NE1 TRP A 123 0.770 12.842 -1.500 1.00 1.34 N ATOM 443 CE2 TRP A 123 1.989 12.285 -1.181 1.00 1.13 C ATOM 444 CE3 TRP A 123 2.730 10.288 -0.039 1.00 1.29 C ATOM 445 CZ2 TRP A 123 3.314 12.674 -1.422 1.00 1.27 C ATOM 446 CZ3 TRP A 123 4.065 10.676 -0.256 1.00 1.58 C ATOM 447 CH2 TRP A 123 4.360 11.870 -0.941 1.00 1.46 C ATOM 0 H TRP A 123 -1.003 8.796 -2.071 1.00 0.54 H new ATOM 0 HA TRP A 123 0.388 8.126 0.465 1.00 0.56 H new ATOM 0 HB2 TRP A 123 -1.678 10.276 0.279 1.00 0.72 H new ATOM 0 HB3 TRP A 123 -0.390 10.057 1.446 1.00 0.72 H new ATOM 0 HD1 TRP A 123 -1.326 12.342 -1.112 1.00 1.22 H new ATOM 0 HE1 TRP A 123 0.656 13.699 -2.041 1.00 1.34 H new ATOM 0 HE3 TRP A 123 2.524 9.354 0.463 1.00 1.29 H new ATOM 0 HZ2 TRP A 123 3.527 13.580 -1.970 1.00 1.27 H new ATOM 0 HZ3 TRP A 123 4.870 10.053 0.106 1.00 1.58 H new ATOM 0 HH2 TRP A 123 5.387 12.167 -1.096 1.00 1.46 H new ATOM 458 N LEU A 124 -1.420 6.371 0.698 1.00 0.58 N ATOM 459 CA LEU A 124 -2.473 5.393 1.013 1.00 0.64 C ATOM 460 C LEU A 124 -2.528 5.176 2.532 1.00 0.69 C ATOM 461 O LEU A 124 -1.654 5.659 3.246 1.00 0.68 O ATOM 462 CB LEU A 124 -2.289 4.090 0.204 1.00 0.71 C ATOM 463 CG LEU A 124 -1.584 4.241 -1.166 1.00 0.73 C ATOM 464 CD1 LEU A 124 -1.270 2.863 -1.727 1.00 0.84 C ATOM 465 CD2 LEU A 124 -2.445 5.031 -2.160 1.00 0.75 C ATOM 0 H LEU A 124 -0.477 5.985 0.742 1.00 0.58 H new ATOM 0 HA LEU A 124 -3.444 5.782 0.707 1.00 0.64 H new ATOM 0 HB2 LEU A 124 -1.718 3.386 0.810 1.00 0.71 H new ATOM 0 HB3 LEU A 124 -3.270 3.645 0.039 1.00 0.71 H new ATOM 0 HG LEU A 124 -0.660 4.799 -1.015 1.00 0.73 H new ATOM 0 HD11 LEU A 124 -0.774 2.967 -2.692 1.00 0.84 H new ATOM 0 HD12 LEU A 124 -0.615 2.330 -1.038 1.00 0.84 H new ATOM 0 HD13 LEU A 124 -2.196 2.302 -1.854 1.00 0.84 H new ATOM 0 HD21 LEU A 124 -1.918 5.117 -3.110 1.00 0.75 H new ATOM 0 HD22 LEU A 124 -3.391 4.512 -2.315 1.00 0.75 H new ATOM 0 HD23 LEU A 124 -2.639 6.027 -1.762 1.00 0.75 H new ATOM 477 N LYS A 125 -3.560 4.519 3.059 1.00 0.82 N ATOM 478 CA LYS A 125 -3.823 4.499 4.510 1.00 0.79 C ATOM 479 C LYS A 125 -4.657 3.277 4.943 1.00 0.54 C ATOM 480 O LYS A 125 -5.883 3.360 4.911 1.00 0.85 O ATOM 481 CB LYS A 125 -4.385 5.858 5.010 1.00 1.29 C ATOM 482 CG LYS A 125 -5.532 6.557 4.243 1.00 2.06 C ATOM 483 CD LYS A 125 -5.116 7.130 2.876 1.00 4.21 C ATOM 484 CE LYS A 125 -5.993 8.292 2.401 1.00 5.49 C ATOM 485 NZ LYS A 125 -5.612 8.707 1.025 1.00 7.79 N ATOM 0 H LYS A 125 -4.234 3.989 2.506 1.00 0.82 H new ATOM 0 HA LYS A 125 -2.865 4.372 5.014 1.00 0.79 H new ATOM 0 HB2 LYS A 125 -4.726 5.709 6.035 1.00 1.29 H new ATOM 0 HB3 LYS A 125 -3.550 6.558 5.050 1.00 1.29 H new ATOM 0 HG2 LYS A 125 -6.343 5.844 4.095 1.00 2.06 H new ATOM 0 HG3 LYS A 125 -5.927 7.365 4.859 1.00 2.06 H new ATOM 0 HD2 LYS A 125 -4.081 7.468 2.934 1.00 4.21 H new ATOM 0 HD3 LYS A 125 -5.150 6.333 2.133 1.00 4.21 H new ATOM 0 HE2 LYS A 125 -7.041 7.995 2.420 1.00 5.49 H new ATOM 0 HE3 LYS A 125 -5.889 9.136 3.083 1.00 5.49 H new ATOM 0 HZ1 LYS A 125 -5.754 9.732 0.920 1.00 7.79 H new ATOM 0 HZ2 LYS A 125 -4.612 8.477 0.858 1.00 7.79 H new ATOM 0 HZ3 LYS A 125 -6.203 8.203 0.334 1.00 7.79 H new ATOM 499 N PRO A 126 -4.011 2.139 5.274 1.00 0.46 N ATOM 500 CA PRO A 126 -4.668 0.990 5.885 1.00 0.84 C ATOM 501 C PRO A 126 -4.819 1.216 7.398 1.00 1.11 C ATOM 502 O PRO A 126 -4.255 2.162 7.951 1.00 2.34 O ATOM 503 CB PRO A 126 -3.738 -0.190 5.579 1.00 1.13 C ATOM 504 CG PRO A 126 -2.355 0.452 5.656 1.00 0.97 C ATOM 505 CD PRO A 126 -2.586 1.860 5.107 1.00 0.66 C ATOM 0 HA PRO A 126 -5.674 0.816 5.502 1.00 0.84 H new ATOM 0 HB2 PRO A 126 -3.852 -0.996 6.304 1.00 1.13 H new ATOM 0 HB3 PRO A 126 -3.933 -0.616 4.595 1.00 1.13 H new ATOM 0 HG2 PRO A 126 -1.980 0.476 6.679 1.00 0.97 H new ATOM 0 HG3 PRO A 126 -1.624 -0.096 5.061 1.00 0.97 H new ATOM 0 HD2 PRO A 126 -1.982 2.591 5.645 1.00 0.66 H new ATOM 0 HD3 PRO A 126 -2.299 1.920 4.057 1.00 0.66 H new ATOM 513 N THR A 127 -5.529 0.296 8.056 1.00 0.74 N ATOM 514 CA THR A 127 -5.640 0.157 9.519 1.00 0.61 C ATOM 515 C THR A 127 -4.970 -1.159 9.918 1.00 0.44 C ATOM 516 O THR A 127 -4.930 -2.074 9.101 1.00 0.44 O ATOM 517 CB THR A 127 -7.120 0.103 9.942 1.00 0.86 C ATOM 518 OG1 THR A 127 -7.921 1.002 9.212 1.00 1.24 O ATOM 519 CG2 THR A 127 -7.375 0.359 11.423 1.00 0.96 C ATOM 0 H THR A 127 -6.072 -0.411 7.561 1.00 0.74 H new ATOM 0 HA THR A 127 -5.164 1.009 10.005 1.00 0.61 H new ATOM 0 HB THR A 127 -7.396 -0.929 9.723 1.00 0.86 H new ATOM 0 HG1 THR A 127 -8.774 0.573 8.989 1.00 1.24 H new ATOM 0 HG21 THR A 127 -8.445 0.300 11.623 1.00 0.96 H new ATOM 0 HG22 THR A 127 -6.853 -0.391 12.017 1.00 0.96 H new ATOM 0 HG23 THR A 127 -7.010 1.351 11.689 1.00 0.96 H new ATOM 527 N VAL A 128 -4.516 -1.326 11.161 1.00 0.50 N ATOM 528 CA VAL A 128 -4.032 -2.628 11.686 1.00 0.56 C ATOM 529 C VAL A 128 -5.005 -3.800 11.447 1.00 0.62 C ATOM 530 O VAL A 128 -4.583 -4.903 11.098 1.00 0.75 O ATOM 531 CB VAL A 128 -3.647 -2.544 13.174 1.00 0.71 C ATOM 532 CG1 VAL A 128 -4.806 -2.060 14.039 1.00 0.79 C ATOM 533 CG2 VAL A 128 -3.146 -3.890 13.721 1.00 0.79 C ATOM 0 H VAL A 128 -4.469 -0.568 11.842 1.00 0.50 H new ATOM 0 HA VAL A 128 -3.136 -2.845 11.105 1.00 0.56 H new ATOM 0 HB VAL A 128 -2.836 -1.817 13.226 1.00 0.71 H new ATOM 0 HG11 VAL A 128 -4.489 -2.016 15.081 1.00 0.79 H new ATOM 0 HG12 VAL A 128 -5.115 -1.067 13.712 1.00 0.79 H new ATOM 0 HG13 VAL A 128 -5.644 -2.750 13.944 1.00 0.79 H new ATOM 0 HG21 VAL A 128 -2.886 -3.781 14.774 1.00 0.79 H new ATOM 0 HG22 VAL A 128 -3.930 -4.640 13.616 1.00 0.79 H new ATOM 0 HG23 VAL A 128 -2.266 -4.205 13.161 1.00 0.79 H new ATOM 543 N ASN A 129 -6.311 -3.562 11.595 1.00 0.70 N ATOM 544 CA ASN A 129 -7.348 -4.574 11.364 1.00 0.95 C ATOM 545 C ASN A 129 -7.678 -4.777 9.875 1.00 0.88 C ATOM 546 O ASN A 129 -8.473 -5.650 9.540 1.00 1.09 O ATOM 547 CB ASN A 129 -8.590 -4.202 12.192 1.00 1.27 C ATOM 548 CG ASN A 129 -8.372 -4.497 13.672 1.00 1.55 C ATOM 549 OD1 ASN A 129 -8.316 -5.647 14.081 1.00 1.90 O ATOM 550 ND2 ASN A 129 -8.222 -3.488 14.512 1.00 1.67 N ATOM 0 H ASN A 129 -6.682 -2.656 11.880 1.00 0.70 H new ATOM 0 HA ASN A 129 -6.967 -5.541 11.693 1.00 0.95 H new ATOM 0 HB2 ASN A 129 -8.816 -3.144 12.058 1.00 1.27 H new ATOM 0 HB3 ASN A 129 -9.453 -4.761 11.830 1.00 1.27 H new ATOM 0 HD21 ASN A 129 -8.059 -3.669 15.503 1.00 1.67 H new ATOM 0 HD22 ASN A 129 -8.269 -2.528 14.170 1.00 1.67 H new ATOM 557 N GLU A 130 -7.104 -3.969 8.978 1.00 0.63 N ATOM 558 CA GLU A 130 -7.669 -3.696 7.659 1.00 0.58 C ATOM 559 C GLU A 130 -6.582 -3.568 6.592 1.00 0.37 C ATOM 560 O GLU A 130 -5.452 -4.010 6.781 1.00 0.51 O ATOM 561 CB GLU A 130 -8.532 -2.421 7.702 1.00 0.82 C ATOM 562 CG GLU A 130 -9.520 -2.415 8.866 1.00 1.07 C ATOM 563 CD GLU A 130 -10.474 -1.235 8.729 1.00 1.54 C ATOM 564 OE1 GLU A 130 -11.384 -1.335 7.883 1.00 2.22 O ATOM 565 OE2 GLU A 130 -10.230 -0.224 9.425 1.00 2.18 O ATOM 0 H GLU A 130 -6.225 -3.482 9.152 1.00 0.63 H new ATOM 0 HA GLU A 130 -8.298 -4.544 7.387 1.00 0.58 H new ATOM 0 HB2 GLU A 130 -7.882 -1.550 7.779 1.00 0.82 H new ATOM 0 HB3 GLU A 130 -9.081 -2.327 6.765 1.00 0.82 H new ATOM 0 HG2 GLU A 130 -10.082 -3.349 8.882 1.00 1.07 H new ATOM 0 HG3 GLU A 130 -8.981 -2.351 9.811 1.00 1.07 H new ATOM 572 N VAL A 131 -6.951 -3.005 5.443 1.00 0.37 N ATOM 573 CA VAL A 131 -6.159 -2.917 4.220 1.00 0.39 C ATOM 574 C VAL A 131 -6.531 -1.649 3.435 1.00 0.47 C ATOM 575 O VAL A 131 -7.638 -1.136 3.591 1.00 0.55 O ATOM 576 CB VAL A 131 -6.363 -4.145 3.317 1.00 0.37 C ATOM 577 CG1 VAL A 131 -5.721 -5.384 3.937 1.00 0.36 C ATOM 578 CG2 VAL A 131 -7.835 -4.438 3.000 1.00 0.42 C ATOM 0 H VAL A 131 -7.868 -2.572 5.336 1.00 0.37 H new ATOM 0 HA VAL A 131 -5.111 -2.878 4.517 1.00 0.39 H new ATOM 0 HB VAL A 131 -5.875 -3.900 2.373 1.00 0.37 H new ATOM 0 HG11 VAL A 131 -5.877 -6.241 3.282 1.00 0.36 H new ATOM 0 HG12 VAL A 131 -4.652 -5.215 4.064 1.00 0.36 H new ATOM 0 HG13 VAL A 131 -6.175 -5.582 4.908 1.00 0.36 H new ATOM 0 HG21 VAL A 131 -7.901 -5.317 2.359 1.00 0.42 H new ATOM 0 HG22 VAL A 131 -8.377 -4.623 3.927 1.00 0.42 H new ATOM 0 HG23 VAL A 131 -8.274 -3.582 2.488 1.00 0.42 H new ATOM 588 N ALA A 132 -5.642 -1.180 2.555 1.00 0.47 N ATOM 589 CA ALA A 132 -5.922 -0.110 1.588 1.00 0.51 C ATOM 590 C ALA A 132 -5.211 -0.356 0.250 1.00 0.46 C ATOM 591 O ALA A 132 -4.051 -0.751 0.240 1.00 0.49 O ATOM 592 CB ALA A 132 -5.490 1.235 2.184 1.00 0.66 C ATOM 0 H ALA A 132 -4.689 -1.539 2.492 1.00 0.47 H new ATOM 0 HA ALA A 132 -6.993 -0.097 1.387 1.00 0.51 H new ATOM 0 HB1 ALA A 132 -5.696 2.032 1.470 1.00 0.66 H new ATOM 0 HB2 ALA A 132 -6.044 1.420 3.104 1.00 0.66 H new ATOM 0 HB3 ALA A 132 -4.422 1.210 2.402 1.00 0.66 H new ATOM 598 N ARG A 133 -5.883 -0.081 -0.874 1.00 0.47 N ATOM 599 CA ARG A 133 -5.303 -0.210 -2.215 1.00 0.44 C ATOM 600 C ARG A 133 -4.819 1.150 -2.717 1.00 0.46 C ATOM 601 O ARG A 133 -5.456 2.179 -2.469 1.00 0.57 O ATOM 602 CB ARG A 133 -6.311 -0.829 -3.203 1.00 0.49 C ATOM 603 CG ARG A 133 -5.668 -1.423 -4.481 1.00 0.56 C ATOM 604 CD ARG A 133 -6.735 -1.638 -5.563 1.00 0.92 C ATOM 605 NE ARG A 133 -6.187 -2.019 -6.885 1.00 1.83 N ATOM 606 CZ ARG A 133 -6.154 -1.257 -7.982 1.00 2.98 C ATOM 607 NH1 ARG A 133 -6.287 0.050 -7.936 1.00 3.77 N ATOM 608 NH2 ARG A 133 -5.956 -1.787 -9.172 1.00 4.29 N ATOM 0 H ARG A 133 -6.851 0.240 -0.878 1.00 0.47 H new ATOM 0 HA ARG A 133 -4.448 -0.883 -2.151 1.00 0.44 H new ATOM 0 HB2 ARG A 133 -6.868 -1.614 -2.692 1.00 0.49 H new ATOM 0 HB3 ARG A 133 -7.032 -0.065 -3.494 1.00 0.49 H new ATOM 0 HG2 ARG A 133 -4.894 -0.752 -4.852 1.00 0.56 H new ATOM 0 HG3 ARG A 133 -5.183 -2.370 -4.246 1.00 0.56 H new ATOM 0 HD2 ARG A 133 -7.424 -2.414 -5.230 1.00 0.92 H new ATOM 0 HD3 ARG A 133 -7.316 -0.722 -5.673 1.00 0.92 H new ATOM 0 HE ARG A 133 -5.795 -2.957 -6.966 1.00 1.83 H new ATOM 0 HH11 ARG A 133 -6.421 0.518 -7.040 1.00 3.77 H new ATOM 0 HH12 ARG A 133 -6.256 0.596 -8.797 1.00 3.77 H new ATOM 0 HH21 ARG A 133 -5.825 -2.794 -9.266 1.00 4.29 H new ATOM 0 HH22 ARG A 133 -5.934 -1.190 -9.999 1.00 4.29 H new ATOM 622 N CYS A 134 -3.735 1.101 -3.481 1.00 0.44 N ATOM 623 CA CYS A 134 -3.317 2.124 -4.414 1.00 0.44 C ATOM 624 C CYS A 134 -4.394 2.348 -5.492 1.00 0.60 C ATOM 625 O CYS A 134 -5.253 1.496 -5.761 1.00 1.09 O ATOM 626 CB CYS A 134 -1.977 1.590 -4.940 1.00 0.45 C ATOM 627 SG CYS A 134 -0.866 2.747 -5.803 1.00 0.51 S ATOM 0 H CYS A 134 -3.097 0.306 -3.461 1.00 0.44 H new ATOM 0 HA CYS A 134 -3.191 3.116 -3.981 1.00 0.44 H new ATOM 0 HB2 CYS A 134 -1.430 1.172 -4.094 1.00 0.45 H new ATOM 0 HB3 CYS A 134 -2.191 0.765 -5.620 1.00 0.45 H new ATOM 0 HG CYS A 134 0.205 2.933 -5.090 1.00 0.51 H new ATOM 632 N TRP A 135 -4.320 3.504 -6.141 1.00 0.59 N ATOM 633 CA TRP A 135 -4.966 3.697 -7.434 1.00 0.65 C ATOM 634 C TRP A 135 -3.972 3.564 -8.593 1.00 0.68 C ATOM 635 O TRP A 135 -4.429 3.341 -9.706 1.00 0.87 O ATOM 636 CB TRP A 135 -5.699 5.036 -7.447 1.00 0.73 C ATOM 637 CG TRP A 135 -4.853 6.251 -7.628 1.00 0.80 C ATOM 638 CD1 TRP A 135 -4.176 6.901 -6.655 1.00 0.89 C ATOM 639 CD2 TRP A 135 -4.437 6.878 -8.887 1.00 0.97 C ATOM 640 NE1 TRP A 135 -3.616 8.032 -7.207 1.00 1.07 N ATOM 641 CE2 TRP A 135 -3.648 8.019 -8.579 1.00 1.12 C ATOM 642 CE3 TRP A 135 -4.522 6.522 -10.250 1.00 1.11 C ATOM 643 CZ2 TRP A 135 -2.998 8.790 -9.555 1.00 1.33 C ATOM 644 CZ3 TRP A 135 -3.802 7.229 -11.232 1.00 1.32 C ATOM 645 CH2 TRP A 135 -3.048 8.367 -10.892 1.00 1.42 C ATOM 0 H TRP A 135 -3.819 4.322 -5.793 1.00 0.59 H new ATOM 0 HA TRP A 135 -5.701 2.906 -7.581 1.00 0.65 H new ATOM 0 HB2 TRP A 135 -6.440 5.013 -8.246 1.00 0.73 H new ATOM 0 HB3 TRP A 135 -6.245 5.136 -6.509 1.00 0.73 H new ATOM 0 HD1 TRP A 135 -4.089 6.588 -5.625 1.00 0.89 H new ATOM 0 HE1 TRP A 135 -3.221 8.795 -6.657 1.00 1.07 H new ATOM 0 HE3 TRP A 135 -5.149 5.694 -10.545 1.00 1.11 H new ATOM 0 HZ2 TRP A 135 -2.469 9.692 -9.282 1.00 1.33 H new ATOM 0 HZ3 TRP A 135 -3.829 6.894 -12.258 1.00 1.32 H new ATOM 0 HH2 TRP A 135 -2.511 8.911 -11.655 1.00 1.42 H new ATOM 656 N GLU A 136 -2.666 3.662 -8.318 1.00 0.59 N ATOM 657 CA GLU A 136 -1.602 3.689 -9.316 1.00 0.65 C ATOM 658 C GLU A 136 -1.196 2.245 -9.675 1.00 0.75 C ATOM 659 O GLU A 136 -1.856 1.571 -10.461 1.00 1.08 O ATOM 660 CB GLU A 136 -0.440 4.537 -8.799 1.00 0.63 C ATOM 661 CG GLU A 136 -0.705 6.032 -8.961 1.00 0.65 C ATOM 662 CD GLU A 136 0.149 6.561 -10.089 1.00 0.83 C ATOM 663 OE1 GLU A 136 -0.075 6.138 -11.231 1.00 1.35 O ATOM 664 OE2 GLU A 136 1.155 7.238 -9.798 1.00 1.51 O ATOM 0 H GLU A 136 -2.314 3.726 -7.363 1.00 0.59 H new ATOM 0 HA GLU A 136 -1.946 4.156 -10.239 1.00 0.65 H new ATOM 0 HB2 GLU A 136 -0.267 4.312 -7.747 1.00 0.63 H new ATOM 0 HB3 GLU A 136 0.470 4.270 -9.336 1.00 0.63 H new ATOM 0 HG2 GLU A 136 -1.760 6.207 -9.173 1.00 0.65 H new ATOM 0 HG3 GLU A 136 -0.474 6.558 -8.035 1.00 0.65 H new ATOM 671 N CYS A 137 -0.149 1.698 -9.038 1.00 0.62 N ATOM 672 CA CYS A 137 0.339 0.367 -9.359 1.00 0.65 C ATOM 673 C CYS A 137 -0.663 -0.788 -9.065 1.00 0.77 C ATOM 674 O CYS A 137 -0.438 -1.946 -9.444 1.00 1.16 O ATOM 675 CB CYS A 137 1.663 0.152 -8.646 1.00 0.62 C ATOM 676 SG CYS A 137 1.637 0.150 -6.809 1.00 0.73 S ATOM 0 H CYS A 137 0.371 2.167 -8.296 1.00 0.62 H new ATOM 0 HA CYS A 137 0.471 0.327 -10.440 1.00 0.65 H new ATOM 0 HB2 CYS A 137 2.075 -0.801 -8.979 1.00 0.62 H new ATOM 0 HB3 CYS A 137 2.353 0.930 -8.973 1.00 0.62 H new ATOM 0 HG CYS A 137 0.754 1.006 -6.387 1.00 0.73 H new ATOM 681 N GLY A 138 -1.723 -0.483 -8.313 1.00 0.60 N ATOM 682 CA GLY A 138 -2.809 -1.387 -7.959 1.00 0.65 C ATOM 683 C GLY A 138 -2.460 -2.426 -6.899 1.00 0.64 C ATOM 684 O GLY A 138 -3.194 -3.405 -6.768 1.00 0.75 O ATOM 0 H GLY A 138 -1.849 0.448 -7.917 1.00 0.60 H new ATOM 0 HA2 GLY A 138 -3.653 -0.796 -7.603 1.00 0.65 H new ATOM 0 HA3 GLY A 138 -3.139 -1.905 -8.859 1.00 0.65 H new ATOM 688 N SER A 139 -1.373 -2.250 -6.140 1.00 0.58 N ATOM 689 CA SER A 139 -1.148 -3.110 -4.972 1.00 0.60 C ATOM 690 C SER A 139 -2.130 -2.765 -3.855 1.00 0.56 C ATOM 691 O SER A 139 -2.413 -1.590 -3.611 1.00 0.64 O ATOM 692 CB SER A 139 0.321 -3.123 -4.488 1.00 0.69 C ATOM 693 OG SER A 139 0.499 -2.823 -3.136 1.00 1.74 O ATOM 0 H SER A 139 -0.656 -1.544 -6.305 1.00 0.58 H new ATOM 0 HA SER A 139 -1.343 -4.134 -5.289 1.00 0.60 H new ATOM 0 HB2 SER A 139 0.744 -4.108 -4.685 1.00 0.69 H new ATOM 0 HB3 SER A 139 0.890 -2.407 -5.082 1.00 0.69 H new ATOM 0 HG SER A 139 0.873 -1.922 -3.047 1.00 1.74 H new ATOM 699 N VAL A 140 -2.597 -3.794 -3.148 1.00 0.53 N ATOM 700 CA VAL A 140 -3.143 -3.599 -1.804 1.00 0.45 C ATOM 701 C VAL A 140 -1.981 -3.576 -0.811 1.00 0.43 C ATOM 702 O VAL A 140 -0.979 -4.252 -1.013 1.00 0.47 O ATOM 703 CB VAL A 140 -4.189 -4.678 -1.446 1.00 0.48 C ATOM 704 CG1 VAL A 140 -4.843 -4.441 -0.077 1.00 0.49 C ATOM 705 CG2 VAL A 140 -5.327 -4.739 -2.485 1.00 0.56 C ATOM 0 H VAL A 140 -2.609 -4.759 -3.477 1.00 0.53 H new ATOM 0 HA VAL A 140 -3.674 -2.648 -1.761 1.00 0.45 H new ATOM 0 HB VAL A 140 -3.629 -5.613 -1.430 1.00 0.48 H new ATOM 0 HG11 VAL A 140 -5.569 -5.230 0.121 1.00 0.49 H new ATOM 0 HG12 VAL A 140 -4.077 -4.450 0.699 1.00 0.49 H new ATOM 0 HG13 VAL A 140 -5.348 -3.475 -0.077 1.00 0.49 H new ATOM 0 HG21 VAL A 140 -6.042 -5.510 -2.197 1.00 0.56 H new ATOM 0 HG22 VAL A 140 -5.832 -3.774 -2.528 1.00 0.56 H new ATOM 0 HG23 VAL A 140 -4.913 -4.976 -3.465 1.00 0.56 H new ATOM 715 N TYR A 141 -2.140 -2.803 0.258 1.00 0.42 N ATOM 716 CA TYR A 141 -1.230 -2.589 1.378 1.00 0.43 C ATOM 717 C TYR A 141 -1.928 -2.855 2.710 1.00 0.41 C ATOM 718 O TYR A 141 -3.141 -2.675 2.841 1.00 0.44 O ATOM 719 CB TYR A 141 -0.782 -1.126 1.382 1.00 0.46 C ATOM 720 CG TYR A 141 0.135 -0.788 0.241 1.00 0.47 C ATOM 721 CD1 TYR A 141 -0.375 -0.432 -1.023 1.00 1.82 C ATOM 722 CD2 TYR A 141 1.518 -0.888 0.450 1.00 1.48 C ATOM 723 CE1 TYR A 141 0.507 -0.202 -2.087 1.00 1.82 C ATOM 724 CE2 TYR A 141 2.404 -0.613 -0.597 1.00 1.51 C ATOM 725 CZ TYR A 141 1.900 -0.318 -1.886 1.00 0.53 C ATOM 726 OH TYR A 141 2.744 -0.244 -2.950 1.00 0.60 O ATOM 0 H TYR A 141 -2.994 -2.257 0.373 1.00 0.42 H new ATOM 0 HA TYR A 141 -0.386 -3.269 1.263 1.00 0.43 H new ATOM 0 HB2 TYR A 141 -1.661 -0.483 1.337 1.00 0.46 H new ATOM 0 HB3 TYR A 141 -0.277 -0.909 2.323 1.00 0.46 H new ATOM 0 HD1 TYR A 141 -1.441 -0.337 -1.171 1.00 1.82 H new ATOM 0 HD2 TYR A 141 1.899 -1.177 1.418 1.00 1.48 H new ATOM 0 HE1 TYR A 141 0.122 0.064 -3.060 1.00 1.82 H new ATOM 0 HE2 TYR A 141 3.470 -0.626 -0.422 1.00 1.51 H new ATOM 0 HH TYR A 141 2.638 0.624 -3.392 1.00 0.60 H new ATOM 736 N LYS A 142 -1.146 -3.229 3.720 1.00 0.45 N ATOM 737 CA LYS A 142 -1.640 -3.515 5.058 1.00 0.37 C ATOM 738 C LYS A 142 -0.849 -2.791 6.148 1.00 0.46 C ATOM 739 O LYS A 142 0.344 -2.529 5.995 1.00 0.57 O ATOM 740 CB LYS A 142 -1.561 -5.031 5.270 1.00 0.41 C ATOM 741 CG LYS A 142 -2.633 -5.413 6.273 1.00 0.37 C ATOM 742 CD LYS A 142 -2.694 -6.893 6.580 1.00 0.83 C ATOM 743 CE LYS A 142 -3.983 -7.037 7.384 1.00 1.12 C ATOM 744 NZ LYS A 142 -4.422 -8.450 7.416 1.00 2.40 N ATOM 0 H LYS A 142 -0.137 -3.343 3.627 1.00 0.45 H new ATOM 0 HA LYS A 142 -2.666 -3.155 5.135 1.00 0.37 H new ATOM 0 HB2 LYS A 142 -1.714 -5.557 4.328 1.00 0.41 H new ATOM 0 HB3 LYS A 142 -0.575 -5.315 5.637 1.00 0.41 H new ATOM 0 HG2 LYS A 142 -2.458 -4.868 7.200 1.00 0.37 H new ATOM 0 HG3 LYS A 142 -3.602 -5.092 5.892 1.00 0.37 H new ATOM 0 HD2 LYS A 142 -2.720 -7.491 5.669 1.00 0.83 H new ATOM 0 HD3 LYS A 142 -1.826 -7.221 7.152 1.00 0.83 H new ATOM 0 HE2 LYS A 142 -3.826 -6.676 8.401 1.00 1.12 H new ATOM 0 HE3 LYS A 142 -4.764 -6.418 6.943 1.00 1.12 H new ATOM 0 HZ1 LYS A 142 -5.454 -8.490 7.538 1.00 2.40 H new ATOM 0 HZ2 LYS A 142 -4.160 -8.915 6.523 1.00 2.40 H new ATOM 0 HZ3 LYS A 142 -3.960 -8.939 8.209 1.00 2.40 H new ATOM 758 N LEU A 143 -1.503 -2.524 7.278 1.00 0.46 N ATOM 759 CA LEU A 143 -0.805 -2.205 8.520 1.00 0.38 C ATOM 760 C LEU A 143 -0.718 -3.428 9.439 1.00 0.35 C ATOM 761 O LEU A 143 -1.378 -4.446 9.257 1.00 0.51 O ATOM 762 CB LEU A 143 -1.465 -0.994 9.202 1.00 0.49 C ATOM 763 CG LEU A 143 -0.498 0.193 9.368 1.00 1.04 C ATOM 764 CD1 LEU A 143 -1.296 1.374 9.882 1.00 0.51 C ATOM 765 CD2 LEU A 143 0.642 -0.093 10.335 1.00 2.34 C ATOM 0 H LEU A 143 -2.520 -2.523 7.357 1.00 0.46 H new ATOM 0 HA LEU A 143 0.223 -1.927 8.287 1.00 0.38 H new ATOM 0 HB2 LEU A 143 -2.327 -0.676 8.615 1.00 0.49 H new ATOM 0 HB3 LEU A 143 -1.839 -1.293 10.181 1.00 0.49 H new ATOM 0 HG LEU A 143 -0.044 0.394 8.398 1.00 1.04 H new ATOM 0 HD11 LEU A 143 -0.635 2.232 10.010 1.00 0.51 H new ATOM 0 HD12 LEU A 143 -2.080 1.623 9.166 1.00 0.51 H new ATOM 0 HD13 LEU A 143 -1.748 1.118 10.840 1.00 0.51 H new ATOM 0 HD21 LEU A 143 1.287 0.783 10.407 1.00 2.34 H new ATOM 0 HD22 LEU A 143 0.235 -0.326 11.319 1.00 2.34 H new ATOM 0 HD23 LEU A 143 1.222 -0.942 9.973 1.00 2.34 H new ATOM 777 N ASN A 144 0.154 -3.311 10.422 1.00 0.45 N ATOM 778 CA ASN A 144 0.506 -4.312 11.420 1.00 0.46 C ATOM 779 C ASN A 144 0.295 -3.758 12.855 1.00 0.56 C ATOM 780 O ASN A 144 0.086 -2.559 13.020 1.00 0.74 O ATOM 781 CB ASN A 144 1.973 -4.697 11.146 1.00 0.51 C ATOM 782 CG ASN A 144 2.906 -3.495 11.042 1.00 0.95 C ATOM 783 OD1 ASN A 144 2.615 -2.403 11.501 1.00 1.52 O ATOM 784 ND2 ASN A 144 4.058 -3.675 10.443 1.00 1.06 N ATOM 0 H ASN A 144 0.678 -2.446 10.557 1.00 0.45 H new ATOM 0 HA ASN A 144 -0.131 -5.194 11.352 1.00 0.46 H new ATOM 0 HB2 ASN A 144 2.324 -5.352 11.944 1.00 0.51 H new ATOM 0 HB3 ASN A 144 2.024 -5.268 10.219 1.00 0.51 H new ATOM 0 HD21 ASN A 144 4.716 -2.900 10.359 1.00 1.06 H new ATOM 0 HD22 ASN A 144 4.297 -4.590 10.061 1.00 1.06 H new ATOM 791 N PRO A 145 0.322 -4.605 13.909 1.00 0.71 N ATOM 792 CA PRO A 145 0.070 -4.165 15.288 1.00 0.92 C ATOM 793 C PRO A 145 1.305 -3.584 15.987 1.00 0.94 C ATOM 794 O PRO A 145 1.168 -2.774 16.895 1.00 1.36 O ATOM 795 CB PRO A 145 -0.386 -5.430 16.022 1.00 1.11 C ATOM 796 CG PRO A 145 0.430 -6.516 15.321 1.00 1.02 C ATOM 797 CD PRO A 145 0.369 -6.063 13.862 1.00 0.86 C ATOM 0 HA PRO A 145 -0.664 -3.359 15.292 1.00 0.92 H new ATOM 0 HB2 PRO A 145 -0.170 -5.383 17.089 1.00 1.11 H new ATOM 0 HB3 PRO A 145 -1.458 -5.596 15.921 1.00 1.11 H new ATOM 0 HG2 PRO A 145 1.454 -6.561 15.692 1.00 1.02 H new ATOM 0 HG3 PRO A 145 -0.004 -7.506 15.460 1.00 1.02 H new ATOM 0 HD2 PRO A 145 1.240 -6.410 13.306 1.00 0.86 H new ATOM 0 HD3 PRO A 145 -0.510 -6.468 13.361 1.00 0.86 H new ATOM 805 N VAL A 146 2.492 -4.017 15.551 1.00 0.79 N ATOM 806 CA VAL A 146 3.851 -3.693 16.024 1.00 0.88 C ATOM 807 C VAL A 146 4.052 -3.542 17.549 1.00 1.77 C ATOM 808 O VAL A 146 3.231 -3.945 18.368 1.00 3.04 O ATOM 809 CB VAL A 146 4.394 -2.453 15.266 1.00 1.11 C ATOM 810 CG1 VAL A 146 4.507 -2.732 13.777 1.00 0.93 C ATOM 811 CG2 VAL A 146 3.542 -1.194 15.448 1.00 2.74 C ATOM 0 H VAL A 146 2.534 -4.675 14.773 1.00 0.79 H new ATOM 0 HA VAL A 146 4.432 -4.585 15.790 1.00 0.88 H new ATOM 0 HB VAL A 146 5.374 -2.264 15.705 1.00 1.11 H new ATOM 0 HG11 VAL A 146 4.890 -1.847 13.269 1.00 0.93 H new ATOM 0 HG12 VAL A 146 5.188 -3.567 13.614 1.00 0.93 H new ATOM 0 HG13 VAL A 146 3.524 -2.982 13.378 1.00 0.93 H new ATOM 0 HG21 VAL A 146 3.986 -0.370 14.888 1.00 2.74 H new ATOM 0 HG22 VAL A 146 2.533 -1.381 15.080 1.00 2.74 H new ATOM 0 HG23 VAL A 146 3.500 -0.933 16.505 1.00 2.74 H new ATOM 821 N GLY A 147 5.185 -2.945 17.939 1.00 1.66 N ATOM 822 CA GLY A 147 5.188 -1.887 18.921 1.00 1.81 C ATOM 823 C GLY A 147 6.580 -1.414 19.283 1.00 1.90 C ATOM 824 O GLY A 147 7.553 -1.542 18.552 1.00 2.12 O ATOM 0 H GLY A 147 6.108 -3.188 17.580 1.00 1.66 H new ATOM 0 HA2 GLY A 147 4.612 -1.044 18.539 1.00 1.81 H new ATOM 0 HA3 GLY A 147 4.684 -2.235 19.822 1.00 1.81 H new