USER MOD reduce.3.24.130724 H: found=0, std=0, add=333, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 334 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -145:sc= 1.27 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.0677 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ -176:sc= 1.22 (180deg=1.15) USER MOD Single : A 121 LYS NZ :NH3+ 172:sc= 1.23 (180deg=1.16) USER MOD Single : A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 126 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 LYS NZ :NH3+ -178:sc= 1.17 (180deg=1.13) USER MOD Single : A 129 GLN : amide:sc= 0.471 K(o=0.47,f=-5.1!) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 61 N ALA A 95 13.422 -4.284 -4.386 1.00 1.00 N ATOM 62 CA ALA A 95 14.806 -3.849 -4.582 1.00 1.00 C ATOM 63 C ALA A 95 15.045 -3.092 -5.904 1.00 1.00 C ATOM 64 O ALA A 95 14.410 -3.360 -6.924 1.00 1.00 O ATOM 65 CB ALA A 95 15.735 -5.068 -4.497 1.00 1.00 C ATOM 0 HA ALA A 95 15.026 -3.135 -3.788 1.00 1.00 H new ATOM 0 HB1 ALA A 95 16.767 -4.750 -4.642 1.00 1.00 H new ATOM 0 HB2 ALA A 95 15.634 -5.535 -3.517 1.00 1.00 H new ATOM 0 HB3 ALA A 95 15.464 -5.786 -5.271 1.00 1.00 H new ATOM 71 N LYS A 96 16.052 -2.211 -5.887 1.00 1.00 N ATOM 72 CA LYS A 96 16.625 -1.515 -7.048 1.00 1.00 C ATOM 73 C LYS A 96 18.161 -1.445 -7.022 1.00 1.00 C ATOM 74 O LYS A 96 18.761 -1.139 -8.048 1.00 1.00 O ATOM 75 CB LYS A 96 15.924 -0.143 -7.196 1.00 1.00 C ATOM 76 CG LYS A 96 16.564 0.770 -8.257 1.00 1.00 C ATOM 77 CD LYS A 96 15.653 1.866 -8.819 1.00 1.00 C ATOM 78 CE LYS A 96 14.983 2.752 -7.760 1.00 1.00 C ATOM 79 NZ LYS A 96 14.142 3.796 -8.411 1.00 1.00 N ATOM 0 H LYS A 96 16.515 -1.949 -5.017 1.00 1.00 H new ATOM 0 HA LYS A 96 16.427 -2.096 -7.949 1.00 1.00 H new ATOM 0 HB2 LYS A 96 14.878 -0.306 -7.454 1.00 1.00 H new ATOM 0 HB3 LYS A 96 15.939 0.368 -6.233 1.00 1.00 H new ATOM 0 HG2 LYS A 96 17.445 1.242 -7.822 1.00 1.00 H new ATOM 0 HG3 LYS A 96 16.910 0.150 -9.084 1.00 1.00 H new ATOM 0 HD2 LYS A 96 16.239 2.500 -9.485 1.00 1.00 H new ATOM 0 HD3 LYS A 96 14.877 1.398 -9.425 1.00 1.00 H new ATOM 0 HE2 LYS A 96 14.368 2.139 -7.101 1.00 1.00 H new ATOM 0 HE3 LYS A 96 15.743 3.224 -7.138 1.00 1.00 H new ATOM 0 HZ1 LYS A 96 13.696 4.387 -7.681 1.00 1.00 H new ATOM 0 HZ2 LYS A 96 14.738 4.391 -9.022 1.00 1.00 H new ATOM 0 HZ3 LYS A 96 13.405 3.340 -8.985 1.00 1.00 H new ATOM 93 N TYR A 97 18.802 -1.798 -5.911 1.00 1.00 N ATOM 94 CA TYR A 97 20.251 -1.682 -5.717 1.00 1.00 C ATOM 95 C TYR A 97 20.826 -3.021 -5.226 1.00 1.00 C ATOM 96 O TYR A 97 20.133 -3.771 -4.543 1.00 1.00 O ATOM 97 CB TYR A 97 20.537 -0.542 -4.718 1.00 1.00 C ATOM 98 CG TYR A 97 19.878 0.784 -5.063 1.00 1.00 C ATOM 99 CD1 TYR A 97 18.540 1.017 -4.687 1.00 1.00 C ATOM 100 CD2 TYR A 97 20.576 1.766 -5.791 1.00 1.00 C ATOM 101 CE1 TYR A 97 17.887 2.200 -5.078 1.00 1.00 C ATOM 102 CE2 TYR A 97 19.927 2.957 -6.172 1.00 1.00 C ATOM 103 CZ TYR A 97 18.577 3.174 -5.826 1.00 1.00 C ATOM 104 OH TYR A 97 17.924 4.305 -6.215 1.00 1.00 O ATOM 0 H TYR A 97 18.320 -2.182 -5.099 1.00 1.00 H new ATOM 0 HA TYR A 97 20.737 -1.443 -6.663 1.00 1.00 H new ATOM 0 HB2 TYR A 97 20.202 -0.852 -3.728 1.00 1.00 H new ATOM 0 HB3 TYR A 97 21.615 -0.392 -4.658 1.00 1.00 H new ATOM 0 HD1 TYR A 97 18.013 0.283 -4.095 1.00 1.00 H new ATOM 0 HD2 TYR A 97 21.610 1.606 -6.058 1.00 1.00 H new ATOM 0 HE1 TYR A 97 16.855 2.362 -4.804 1.00 1.00 H new ATOM 0 HE2 TYR A 97 20.466 3.707 -6.732 1.00 1.00 H new ATOM 0 HH TYR A 97 18.536 4.878 -6.722 1.00 1.00 H new ATOM 114 N SER A 98 22.085 -3.318 -5.549 1.00 1.00 N ATOM 115 CA SER A 98 22.774 -4.571 -5.206 1.00 1.00 C ATOM 116 C SER A 98 24.262 -4.338 -4.945 1.00 1.00 C ATOM 117 O SER A 98 24.893 -3.525 -5.625 1.00 1.00 O ATOM 118 CB SER A 98 22.634 -5.567 -6.360 1.00 1.00 C ATOM 119 OG SER A 98 23.182 -6.822 -6.018 1.00 1.00 O ATOM 0 H SER A 98 22.677 -2.674 -6.074 1.00 1.00 H new ATOM 0 HA SER A 98 22.315 -4.964 -4.299 1.00 1.00 H new ATOM 0 HB2 SER A 98 21.581 -5.684 -6.617 1.00 1.00 H new ATOM 0 HB3 SER A 98 23.137 -5.176 -7.245 1.00 1.00 H new ATOM 0 HG SER A 98 23.584 -7.231 -6.813 1.00 1.00 H new ATOM 125 N TYR A 99 24.826 -5.062 -3.976 1.00 1.00 N ATOM 126 CA TYR A 99 26.237 -4.972 -3.587 1.00 1.00 C ATOM 127 C TYR A 99 26.857 -6.327 -3.207 1.00 1.00 C ATOM 128 O TYR A 99 26.170 -7.335 -3.041 1.00 1.00 O ATOM 129 CB TYR A 99 26.393 -3.926 -2.469 1.00 1.00 C ATOM 130 CG TYR A 99 25.700 -4.243 -1.154 1.00 1.00 C ATOM 131 CD1 TYR A 99 24.358 -3.864 -0.956 1.00 1.00 C ATOM 132 CD2 TYR A 99 26.414 -4.866 -0.111 1.00 1.00 C ATOM 133 CE1 TYR A 99 23.745 -4.053 0.297 1.00 1.00 C ATOM 134 CE2 TYR A 99 25.803 -5.063 1.142 1.00 1.00 C ATOM 135 CZ TYR A 99 24.475 -4.638 1.356 1.00 1.00 C ATOM 136 OH TYR A 99 23.902 -4.826 2.579 1.00 1.00 O ATOM 0 H TYR A 99 24.303 -5.744 -3.426 1.00 1.00 H new ATOM 0 HA TYR A 99 26.802 -4.648 -4.461 1.00 1.00 H new ATOM 0 HB2 TYR A 99 27.456 -3.791 -2.272 1.00 1.00 H new ATOM 0 HB3 TYR A 99 26.013 -2.973 -2.836 1.00 1.00 H new ATOM 0 HD1 TYR A 99 23.797 -3.427 -1.769 1.00 1.00 H new ATOM 0 HD2 TYR A 99 27.431 -5.193 -0.273 1.00 1.00 H new ATOM 0 HE1 TYR A 99 22.719 -3.752 0.449 1.00 1.00 H new ATOM 0 HE2 TYR A 99 26.352 -5.540 1.940 1.00 1.00 H new ATOM 0 HH TYR A 99 24.551 -5.242 3.184 1.00 1.00 H new ATOM 146 N VAL A 100 28.186 -6.333 -3.067 1.00 1.00 N ATOM 147 CA VAL A 100 29.075 -7.506 -2.919 1.00 1.00 C ATOM 148 C VAL A 100 30.078 -7.293 -1.773 1.00 1.00 C ATOM 149 O VAL A 100 30.426 -6.156 -1.456 1.00 1.00 O ATOM 150 CB VAL A 100 29.781 -7.797 -4.272 1.00 1.00 C ATOM 151 CG1 VAL A 100 30.305 -6.543 -4.987 1.00 1.00 C ATOM 152 CG2 VAL A 100 30.966 -8.773 -4.189 1.00 1.00 C ATOM 0 H VAL A 100 28.713 -5.460 -3.052 1.00 1.00 H new ATOM 0 HA VAL A 100 28.481 -8.380 -2.654 1.00 1.00 H new ATOM 0 HB VAL A 100 28.969 -8.253 -4.839 1.00 1.00 H new ATOM 0 HG11 VAL A 100 30.784 -6.831 -5.923 1.00 1.00 H new ATOM 0 HG12 VAL A 100 29.474 -5.870 -5.197 1.00 1.00 H new ATOM 0 HG13 VAL A 100 31.030 -6.037 -4.349 1.00 1.00 H new ATOM 0 HG21 VAL A 100 31.393 -8.913 -5.182 1.00 1.00 H new ATOM 0 HG22 VAL A 100 31.726 -8.367 -3.521 1.00 1.00 H new ATOM 0 HG23 VAL A 100 30.621 -9.733 -3.804 1.00 1.00 H new ATOM 162 N ASP A 101 30.551 -8.392 -1.168 1.00 1.00 N ATOM 163 CA ASP A 101 31.586 -8.374 -0.119 1.00 1.00 C ATOM 164 C ASP A 101 32.846 -9.168 -0.518 1.00 1.00 C ATOM 165 O ASP A 101 33.934 -8.591 -0.530 1.00 1.00 O ATOM 166 CB ASP A 101 30.975 -8.866 1.199 1.00 1.00 C ATOM 167 CG ASP A 101 31.982 -8.796 2.361 1.00 1.00 C ATOM 168 OD1 ASP A 101 32.453 -7.680 2.693 1.00 1.00 O ATOM 169 OD2 ASP A 101 32.291 -9.851 2.963 1.00 1.00 O ATOM 0 H ASP A 101 30.223 -9.331 -1.395 1.00 1.00 H new ATOM 0 HA ASP A 101 31.929 -7.348 0.016 1.00 1.00 H new ATOM 0 HB2 ASP A 101 30.100 -8.263 1.441 1.00 1.00 H new ATOM 0 HB3 ASP A 101 30.631 -9.893 1.078 1.00 1.00 H new ATOM 174 N GLU A 102 32.710 -10.437 -0.942 1.00 1.00 N ATOM 175 CA GLU A 102 33.822 -11.227 -1.522 1.00 1.00 C ATOM 176 C GLU A 102 33.382 -12.181 -2.652 1.00 1.00 C ATOM 177 O GLU A 102 33.870 -12.063 -3.777 1.00 1.00 O ATOM 178 CB GLU A 102 34.548 -12.054 -0.441 1.00 1.00 C ATOM 179 CG GLU A 102 35.375 -11.227 0.551 1.00 1.00 C ATOM 180 CD GLU A 102 36.242 -12.145 1.434 1.00 1.00 C ATOM 181 OE1 GLU A 102 35.742 -12.673 2.460 1.00 1.00 O ATOM 182 OE2 GLU A 102 37.442 -12.347 1.118 1.00 1.00 O ATOM 0 H GLU A 102 31.828 -10.948 -0.894 1.00 1.00 H new ATOM 0 HA GLU A 102 34.496 -10.485 -1.951 1.00 1.00 H new ATOM 0 HB2 GLU A 102 33.808 -12.629 0.115 1.00 1.00 H new ATOM 0 HB3 GLU A 102 35.206 -12.771 -0.932 1.00 1.00 H new ATOM 0 HG2 GLU A 102 36.012 -10.529 0.008 1.00 1.00 H new ATOM 0 HG3 GLU A 102 34.711 -10.632 1.178 1.00 1.00 H new ATOM 189 N ASN A 103 32.480 -13.133 -2.373 1.00 1.00 N ATOM 190 CA ASN A 103 32.147 -14.227 -3.301 1.00 1.00 C ATOM 191 C ASN A 103 31.324 -13.785 -4.534 1.00 1.00 C ATOM 192 O ASN A 103 31.377 -14.433 -5.583 1.00 1.00 O ATOM 193 CB ASN A 103 31.409 -15.309 -2.488 1.00 1.00 C ATOM 194 CG ASN A 103 31.092 -16.556 -3.304 1.00 1.00 C ATOM 195 OD1 ASN A 103 29.972 -16.772 -3.746 1.00 1.00 O ATOM 196 ND2 ASN A 103 32.062 -17.414 -3.526 1.00 1.00 N ATOM 0 H ASN A 103 31.959 -13.167 -1.497 1.00 1.00 H new ATOM 0 HA ASN A 103 33.073 -14.613 -3.727 1.00 1.00 H new ATOM 0 HB2 ASN A 103 32.019 -15.589 -1.629 1.00 1.00 H new ATOM 0 HB3 ASN A 103 30.481 -14.892 -2.097 1.00 1.00 H new ATOM 0 HD21 ASN A 103 31.881 -18.260 -4.067 1.00 1.00 H new ATOM 0 HD22 ASN A 103 32.996 -17.234 -3.158 1.00 1.00 H new ATOM 203 N GLY A 104 30.569 -12.688 -4.413 1.00 1.00 N ATOM 204 CA GLY A 104 29.623 -12.190 -5.422 1.00 1.00 C ATOM 205 C GLY A 104 28.570 -11.263 -4.810 1.00 1.00 C ATOM 206 O GLY A 104 28.665 -10.922 -3.630 1.00 1.00 O ATOM 0 H GLY A 104 30.600 -12.100 -3.580 1.00 1.00 H new ATOM 0 HA2 GLY A 104 30.169 -11.655 -6.199 1.00 1.00 H new ATOM 0 HA3 GLY A 104 29.128 -13.034 -5.903 1.00 1.00 H new ATOM 210 N GLU A 105 27.571 -10.848 -5.596 1.00 1.00 N ATOM 211 CA GLU A 105 26.414 -10.061 -5.127 1.00 1.00 C ATOM 212 C GLU A 105 25.792 -10.687 -3.863 1.00 1.00 C ATOM 213 O GLU A 105 25.113 -11.718 -3.920 1.00 1.00 O ATOM 214 CB GLU A 105 25.364 -9.907 -6.239 1.00 1.00 C ATOM 215 CG GLU A 105 25.840 -8.994 -7.375 1.00 1.00 C ATOM 216 CD GLU A 105 24.743 -8.850 -8.449 1.00 1.00 C ATOM 217 OE1 GLU A 105 23.775 -8.081 -8.227 1.00 1.00 O ATOM 218 OE2 GLU A 105 24.843 -9.501 -9.517 1.00 1.00 O ATOM 0 H GLU A 105 27.539 -11.051 -6.595 1.00 1.00 H new ATOM 0 HA GLU A 105 26.773 -9.066 -4.865 1.00 1.00 H new ATOM 0 HB2 GLU A 105 25.122 -10.890 -6.644 1.00 1.00 H new ATOM 0 HB3 GLU A 105 24.446 -9.503 -5.813 1.00 1.00 H new ATOM 0 HG2 GLU A 105 26.098 -8.013 -6.977 1.00 1.00 H new ATOM 0 HG3 GLU A 105 26.745 -9.404 -7.824 1.00 1.00 H new ATOM 225 N THR A 106 26.083 -10.079 -2.711 1.00 1.00 N ATOM 226 CA THR A 106 25.783 -10.621 -1.388 1.00 1.00 C ATOM 227 C THR A 106 24.386 -10.218 -0.902 1.00 1.00 C ATOM 228 O THR A 106 23.680 -11.043 -0.316 1.00 1.00 O ATOM 229 CB THR A 106 26.878 -10.263 -0.363 1.00 1.00 C ATOM 230 OG1 THR A 106 26.703 -11.040 0.801 1.00 1.00 O ATOM 231 CG2 THR A 106 26.939 -8.792 0.070 1.00 1.00 C ATOM 0 H THR A 106 26.547 -9.171 -2.674 1.00 1.00 H new ATOM 0 HA THR A 106 25.778 -11.707 -1.483 1.00 1.00 H new ATOM 0 HB THR A 106 27.813 -10.469 -0.884 1.00 1.00 H new ATOM 0 HG1 THR A 106 27.399 -10.814 1.453 1.00 1.00 H new ATOM 0 HG21 THR A 106 27.745 -8.658 0.791 1.00 1.00 H new ATOM 0 HG22 THR A 106 27.123 -8.164 -0.801 1.00 1.00 H new ATOM 0 HG23 THR A 106 25.992 -8.508 0.528 1.00 1.00 H new ATOM 239 N LYS A 107 23.960 -8.973 -1.193 1.00 1.00 N ATOM 240 CA LYS A 107 22.696 -8.382 -0.707 1.00 1.00 C ATOM 241 C LYS A 107 22.145 -7.324 -1.674 1.00 1.00 C ATOM 242 O LYS A 107 22.885 -6.736 -2.464 1.00 1.00 O ATOM 243 CB LYS A 107 22.932 -7.719 0.669 1.00 1.00 C ATOM 244 CG LYS A 107 23.160 -8.652 1.872 1.00 1.00 C ATOM 245 CD LYS A 107 21.941 -9.526 2.214 1.00 1.00 C ATOM 246 CE LYS A 107 22.251 -10.386 3.448 1.00 1.00 C ATOM 247 NZ LYS A 107 21.102 -11.257 3.818 1.00 1.00 N ATOM 0 H LYS A 107 24.495 -8.337 -1.784 1.00 1.00 H new ATOM 0 HA LYS A 107 21.967 -9.188 -0.630 1.00 1.00 H new ATOM 0 HB2 LYS A 107 23.797 -7.062 0.583 1.00 1.00 H new ATOM 0 HB3 LYS A 107 22.072 -7.087 0.891 1.00 1.00 H new ATOM 0 HG2 LYS A 107 24.013 -9.298 1.663 1.00 1.00 H new ATOM 0 HG3 LYS A 107 23.421 -8.051 2.743 1.00 1.00 H new ATOM 0 HD2 LYS A 107 21.072 -8.896 2.406 1.00 1.00 H new ATOM 0 HD3 LYS A 107 21.690 -10.165 1.367 1.00 1.00 H new ATOM 0 HE2 LYS A 107 23.126 -11.004 3.249 1.00 1.00 H new ATOM 0 HE3 LYS A 107 22.502 -9.739 4.288 1.00 1.00 H new ATOM 0 HZ1 LYS A 107 21.350 -11.822 4.655 1.00 1.00 H new ATOM 0 HZ2 LYS A 107 20.273 -10.666 4.032 1.00 1.00 H new ATOM 0 HZ3 LYS A 107 20.879 -11.892 3.026 1.00 1.00 H new ATOM 261 N THR A 108 20.850 -7.038 -1.544 1.00 1.00 N ATOM 262 CA THR A 108 20.107 -6.021 -2.313 1.00 1.00 C ATOM 263 C THR A 108 19.327 -5.059 -1.408 1.00 1.00 C ATOM 264 O THR A 108 19.128 -5.324 -0.219 1.00 1.00 O ATOM 265 CB THR A 108 19.143 -6.680 -3.317 1.00 1.00 C ATOM 266 OG1 THR A 108 18.210 -7.498 -2.638 1.00 1.00 O ATOM 267 CG2 THR A 108 19.874 -7.556 -4.329 1.00 1.00 C ATOM 0 H THR A 108 20.258 -7.526 -0.872 1.00 1.00 H new ATOM 0 HA THR A 108 20.853 -5.441 -2.856 1.00 1.00 H new ATOM 0 HB THR A 108 18.643 -5.867 -3.843 1.00 1.00 H new ATOM 0 HG1 THR A 108 17.602 -7.909 -3.287 1.00 1.00 H new ATOM 0 HG21 THR A 108 19.152 -7.999 -5.015 1.00 1.00 H new ATOM 0 HG22 THR A 108 20.584 -6.948 -4.891 1.00 1.00 H new ATOM 0 HG23 THR A 108 20.409 -8.348 -3.805 1.00 1.00 H new ATOM 275 N TRP A 109 18.897 -3.920 -1.964 1.00 1.00 N ATOM 276 CA TRP A 109 18.236 -2.828 -1.235 1.00 1.00 C ATOM 277 C TRP A 109 17.223 -2.077 -2.115 1.00 1.00 C ATOM 278 O TRP A 109 17.333 -2.055 -3.342 1.00 1.00 O ATOM 279 CB TRP A 109 19.333 -1.896 -0.692 1.00 1.00 C ATOM 280 CG TRP A 109 18.900 -0.666 0.053 1.00 1.00 C ATOM 281 CD1 TRP A 109 17.988 -0.616 1.052 1.00 1.00 C ATOM 282 CD2 TRP A 109 19.415 0.696 -0.078 1.00 1.00 C ATOM 283 NE1 TRP A 109 17.854 0.686 1.490 1.00 1.00 N ATOM 284 CE2 TRP A 109 18.738 1.529 0.863 1.00 1.00 C ATOM 285 CE3 TRP A 109 20.406 1.310 -0.877 1.00 1.00 C ATOM 286 CZ2 TRP A 109 19.028 2.892 1.016 1.00 1.00 C ATOM 287 CZ3 TRP A 109 20.712 2.678 -0.728 1.00 1.00 C ATOM 288 CH2 TRP A 109 20.027 3.469 0.215 1.00 1.00 C ATOM 0 H TRP A 109 19.001 -3.726 -2.960 1.00 1.00 H new ATOM 0 HA TRP A 109 17.653 -3.234 -0.408 1.00 1.00 H new ATOM 0 HB2 TRP A 109 19.972 -2.481 -0.031 1.00 1.00 H new ATOM 0 HB3 TRP A 109 19.950 -1.579 -1.533 1.00 1.00 H new ATOM 0 HD1 TRP A 109 17.448 -1.464 1.446 1.00 1.00 H new ATOM 0 HE1 TRP A 109 17.180 0.986 2.194 1.00 1.00 H new ATOM 0 HE3 TRP A 109 20.936 0.723 -1.612 1.00 1.00 H new ATOM 0 HZ2 TRP A 109 18.492 3.489 1.739 1.00 1.00 H new ATOM 0 HZ3 TRP A 109 21.479 3.124 -1.343 1.00 1.00 H new ATOM 0 HH2 TRP A 109 20.269 4.516 0.322 1.00 1.00 H new ATOM 299 N THR A 110 16.226 -1.459 -1.481 1.00 1.00 N ATOM 300 CA THR A 110 15.120 -0.692 -2.093 1.00 1.00 C ATOM 301 C THR A 110 15.465 0.770 -2.398 1.00 1.00 C ATOM 302 O THR A 110 14.775 1.405 -3.196 1.00 1.00 O ATOM 303 CB THR A 110 13.942 -0.656 -1.108 1.00 1.00 C ATOM 304 OG1 THR A 110 14.430 -0.137 0.114 1.00 1.00 O ATOM 305 CG2 THR A 110 13.368 -2.040 -0.812 1.00 1.00 C ATOM 0 H THR A 110 16.157 -1.477 -0.463 1.00 1.00 H new ATOM 0 HA THR A 110 14.894 -1.195 -3.033 1.00 1.00 H new ATOM 0 HB THR A 110 13.152 -0.052 -1.555 1.00 1.00 H new ATOM 0 HG1 THR A 110 13.701 -0.099 0.768 1.00 1.00 H new ATOM 0 HG21 THR A 110 12.539 -1.948 -0.110 1.00 1.00 H new ATOM 0 HG22 THR A 110 13.011 -2.491 -1.738 1.00 1.00 H new ATOM 0 HG23 THR A 110 14.144 -2.670 -0.377 1.00 1.00 H new ATOM 313 N GLY A 111 16.511 1.310 -1.763 1.00 1.00 N ATOM 314 CA GLY A 111 16.831 2.742 -1.782 1.00 1.00 C ATOM 315 C GLY A 111 16.085 3.548 -0.707 1.00 1.00 C ATOM 316 O GLY A 111 16.055 4.779 -0.782 1.00 1.00 O ATOM 0 H GLY A 111 17.169 0.757 -1.214 1.00 1.00 H new ATOM 0 HA2 GLY A 111 17.904 2.869 -1.641 1.00 1.00 H new ATOM 0 HA3 GLY A 111 16.588 3.148 -2.764 1.00 1.00 H new ATOM 320 N GLN A 112 15.461 2.877 0.275 1.00 1.00 N ATOM 321 CA GLN A 112 14.646 3.489 1.337 1.00 1.00 C ATOM 322 C GLN A 112 15.177 3.127 2.738 1.00 1.00 C ATOM 323 O GLN A 112 15.830 2.096 2.926 1.00 1.00 O ATOM 324 CB GLN A 112 13.179 3.046 1.183 1.00 1.00 C ATOM 325 CG GLN A 112 12.563 3.432 -0.174 1.00 1.00 C ATOM 326 CD GLN A 112 11.098 3.008 -0.267 1.00 1.00 C ATOM 327 OE1 GLN A 112 10.766 1.837 -0.406 1.00 1.00 O ATOM 328 NE2 GLN A 112 10.158 3.930 -0.200 1.00 1.00 N ATOM 0 H GLN A 112 15.512 1.861 0.354 1.00 1.00 H new ATOM 0 HA GLN A 112 14.709 4.572 1.236 1.00 1.00 H new ATOM 0 HB2 GLN A 112 13.119 1.965 1.306 1.00 1.00 H new ATOM 0 HB3 GLN A 112 12.587 3.492 1.982 1.00 1.00 H new ATOM 0 HG2 GLN A 112 12.640 4.510 -0.316 1.00 1.00 H new ATOM 0 HG3 GLN A 112 13.130 2.963 -0.978 1.00 1.00 H new ATOM 0 HE21 GLN A 112 10.413 4.911 -0.084 1.00 1.00 H new ATOM 0 HE22 GLN A 112 9.176 3.662 -0.264 1.00 1.00 H new ATOM 337 N GLY A 113 14.893 3.974 3.734 1.00 1.00 N ATOM 338 CA GLY A 113 15.506 3.879 5.067 1.00 1.00 C ATOM 339 C GLY A 113 16.993 4.279 5.063 1.00 1.00 C ATOM 340 O GLY A 113 17.499 4.836 4.083 1.00 1.00 O ATOM 0 H GLY A 113 14.232 4.745 3.640 1.00 1.00 H new ATOM 0 HA2 GLY A 113 14.962 4.521 5.760 1.00 1.00 H new ATOM 0 HA3 GLY A 113 15.409 2.858 5.436 1.00 1.00 H new ATOM 344 N ARG A 114 17.703 4.019 6.172 1.00 1.00 N ATOM 345 CA ARG A 114 19.154 4.287 6.291 1.00 1.00 C ATOM 346 C ARG A 114 19.985 3.532 5.236 1.00 1.00 C ATOM 347 O ARG A 114 19.716 2.368 4.931 1.00 1.00 O ATOM 348 CB ARG A 114 19.639 4.011 7.729 1.00 1.00 C ATOM 349 CG ARG A 114 19.567 2.539 8.174 1.00 1.00 C ATOM 350 CD ARG A 114 20.001 2.393 9.637 1.00 1.00 C ATOM 351 NE ARG A 114 19.945 0.986 10.080 1.00 1.00 N ATOM 352 CZ ARG A 114 20.255 0.527 11.282 1.00 1.00 C ATOM 353 NH1 ARG A 114 20.659 1.310 12.244 1.00 1.00 N ATOM 354 NH2 ARG A 114 20.162 -0.744 11.545 1.00 1.00 N ATOM 0 H ARG A 114 17.292 3.617 7.014 1.00 1.00 H new ATOM 0 HA ARG A 114 19.311 5.345 6.083 1.00 1.00 H new ATOM 0 HB2 ARG A 114 20.671 4.351 7.819 1.00 1.00 H new ATOM 0 HB3 ARG A 114 19.044 4.612 8.417 1.00 1.00 H new ATOM 0 HG2 ARG A 114 18.550 2.167 8.052 1.00 1.00 H new ATOM 0 HG3 ARG A 114 20.208 1.930 7.537 1.00 1.00 H new ATOM 0 HD2 ARG A 114 21.016 2.773 9.756 1.00 1.00 H new ATOM 0 HD3 ARG A 114 19.356 3.001 10.271 1.00 1.00 H new ATOM 0 HE ARG A 114 19.637 0.299 9.391 1.00 1.00 H new ATOM 0 HH11 ARG A 114 20.745 2.313 12.083 1.00 1.00 H new ATOM 0 HH12 ARG A 114 20.889 0.919 13.158 1.00 1.00 H new ATOM 0 HH21 ARG A 114 19.849 -1.393 10.823 1.00 1.00 H new ATOM 0 HH22 ARG A 114 20.402 -1.092 12.473 1.00 1.00 H new ATOM 368 N THR A 115 21.014 4.193 4.703 1.00 1.00 N ATOM 369 CA THR A 115 21.935 3.637 3.693 1.00 1.00 C ATOM 370 C THR A 115 22.674 2.394 4.229 1.00 1.00 C ATOM 371 O THR A 115 23.265 2.488 5.311 1.00 1.00 O ATOM 372 CB THR A 115 22.961 4.707 3.279 1.00 1.00 C ATOM 373 OG1 THR A 115 22.279 5.876 2.865 1.00 1.00 O ATOM 374 CG2 THR A 115 23.839 4.257 2.114 1.00 1.00 C ATOM 0 H THR A 115 21.241 5.153 4.963 1.00 1.00 H new ATOM 0 HA THR A 115 21.344 3.336 2.828 1.00 1.00 H new ATOM 0 HB THR A 115 23.594 4.888 4.148 1.00 1.00 H new ATOM 0 HG1 THR A 115 22.931 6.559 2.603 1.00 1.00 H new ATOM 0 HG21 THR A 115 24.544 5.049 1.863 1.00 1.00 H new ATOM 0 HG22 THR A 115 24.388 3.359 2.398 1.00 1.00 H new ATOM 0 HG23 THR A 115 23.213 4.041 1.248 1.00 1.00 H new ATOM 382 N PRO A 116 22.675 1.240 3.522 1.00 1.00 N ATOM 383 CA PRO A 116 23.417 0.041 3.925 1.00 1.00 C ATOM 384 C PRO A 116 24.921 0.283 4.122 1.00 1.00 C ATOM 385 O PRO A 116 25.520 1.106 3.428 1.00 1.00 O ATOM 386 CB PRO A 116 23.165 -1.001 2.823 1.00 1.00 C ATOM 387 CG PRO A 116 21.862 -0.548 2.171 1.00 1.00 C ATOM 388 CD PRO A 116 21.898 0.971 2.322 1.00 1.00 C ATOM 0 HA PRO A 116 23.067 -0.295 4.901 1.00 1.00 H new ATOM 0 HB2 PRO A 116 23.983 -1.025 2.103 1.00 1.00 H new ATOM 0 HB3 PRO A 116 23.075 -2.005 3.237 1.00 1.00 H new ATOM 0 HG2 PRO A 116 21.812 -0.846 1.124 1.00 1.00 H new ATOM 0 HG3 PRO A 116 20.993 -0.980 2.667 1.00 1.00 H new ATOM 0 HD2 PRO A 116 22.354 1.438 1.450 1.00 1.00 H new ATOM 0 HD3 PRO A 116 20.891 1.378 2.411 1.00 1.00 H new ATOM 396 N ALA A 117 25.550 -0.473 5.026 1.00 1.00 N ATOM 397 CA ALA A 117 26.937 -0.258 5.453 1.00 1.00 C ATOM 398 C ALA A 117 27.955 -0.249 4.299 1.00 1.00 C ATOM 399 O ALA A 117 28.756 0.676 4.202 1.00 1.00 O ATOM 400 CB ALA A 117 27.283 -1.310 6.516 1.00 1.00 C ATOM 0 H ALA A 117 25.104 -1.264 5.490 1.00 1.00 H new ATOM 0 HA ALA A 117 27.008 0.744 5.876 1.00 1.00 H new ATOM 0 HB1 ALA A 117 28.312 -1.168 6.847 1.00 1.00 H new ATOM 0 HB2 ALA A 117 26.610 -1.203 7.366 1.00 1.00 H new ATOM 0 HB3 ALA A 117 27.174 -2.307 6.090 1.00 1.00 H new ATOM 406 N VAL A 118 27.898 -1.221 3.375 1.00 1.00 N ATOM 407 CA VAL A 118 28.813 -1.281 2.214 1.00 1.00 C ATOM 408 C VAL A 118 28.614 -0.086 1.274 1.00 1.00 C ATOM 409 O VAL A 118 29.592 0.527 0.848 1.00 1.00 O ATOM 410 CB VAL A 118 28.667 -2.613 1.448 1.00 1.00 C ATOM 411 CG1 VAL A 118 29.584 -2.691 0.219 1.00 1.00 C ATOM 412 CG2 VAL A 118 29.007 -3.805 2.351 1.00 1.00 C ATOM 0 H VAL A 118 27.223 -1.985 3.407 1.00 1.00 H new ATOM 0 HA VAL A 118 29.829 -1.229 2.605 1.00 1.00 H new ATOM 0 HB VAL A 118 27.627 -2.653 1.124 1.00 1.00 H new ATOM 0 HG11 VAL A 118 29.440 -3.648 -0.282 1.00 1.00 H new ATOM 0 HG12 VAL A 118 29.340 -1.881 -0.469 1.00 1.00 H new ATOM 0 HG13 VAL A 118 30.623 -2.599 0.534 1.00 1.00 H new ATOM 0 HG21 VAL A 118 28.896 -4.731 1.788 1.00 1.00 H new ATOM 0 HG22 VAL A 118 30.035 -3.714 2.702 1.00 1.00 H new ATOM 0 HG23 VAL A 118 28.332 -3.818 3.206 1.00 1.00 H new ATOM 422 N ILE A 119 27.358 0.294 1.008 1.00 1.00 N ATOM 423 CA ILE A 119 27.014 1.462 0.176 1.00 1.00 C ATOM 424 C ILE A 119 27.595 2.743 0.805 1.00 1.00 C ATOM 425 O ILE A 119 28.315 3.485 0.139 1.00 1.00 O ATOM 426 CB ILE A 119 25.479 1.566 -0.025 1.00 1.00 C ATOM 427 CG1 ILE A 119 24.812 0.274 -0.557 1.00 1.00 C ATOM 428 CG2 ILE A 119 25.126 2.754 -0.939 1.00 1.00 C ATOM 429 CD1 ILE A 119 25.214 -0.150 -1.970 1.00 1.00 C ATOM 0 H ILE A 119 26.542 -0.203 1.366 1.00 1.00 H new ATOM 0 HA ILE A 119 27.458 1.337 -0.812 1.00 1.00 H new ATOM 0 HB ILE A 119 25.072 1.727 0.973 1.00 1.00 H new ATOM 0 HG12 ILE A 119 25.047 -0.542 0.127 1.00 1.00 H new ATOM 0 HG13 ILE A 119 23.731 0.409 -0.533 1.00 1.00 H new ATOM 0 HG21 ILE A 119 24.045 2.807 -1.066 1.00 1.00 H new ATOM 0 HG22 ILE A 119 25.484 3.679 -0.488 1.00 1.00 H new ATOM 0 HG23 ILE A 119 25.599 2.618 -1.912 1.00 1.00 H new ATOM 0 HD11 ILE A 119 24.687 -1.066 -2.239 1.00 1.00 H new ATOM 0 HD12 ILE A 119 24.953 0.639 -2.675 1.00 1.00 H new ATOM 0 HD13 ILE A 119 26.289 -0.326 -2.005 1.00 1.00 H new ATOM 441 N LYS A 120 27.374 2.947 2.115 1.00 1.00 N ATOM 442 CA LYS A 120 27.933 4.060 2.902 1.00 1.00 C ATOM 443 C LYS A 120 29.460 4.100 2.803 1.00 1.00 C ATOM 444 O LYS A 120 30.036 5.131 2.469 1.00 1.00 O ATOM 445 CB LYS A 120 27.440 3.934 4.362 1.00 1.00 C ATOM 446 CG LYS A 120 28.235 4.788 5.367 1.00 1.00 C ATOM 447 CD LYS A 120 27.585 4.770 6.763 1.00 1.00 C ATOM 448 CE LYS A 120 28.204 5.789 7.737 1.00 1.00 C ATOM 449 NZ LYS A 120 29.637 5.512 8.042 1.00 1.00 N ATOM 0 H LYS A 120 26.786 2.326 2.671 1.00 1.00 H new ATOM 0 HA LYS A 120 27.583 5.010 2.497 1.00 1.00 H new ATOM 0 HB2 LYS A 120 26.390 4.223 4.406 1.00 1.00 H new ATOM 0 HB3 LYS A 120 27.496 2.888 4.665 1.00 1.00 H new ATOM 0 HG2 LYS A 120 29.257 4.414 5.436 1.00 1.00 H new ATOM 0 HG3 LYS A 120 28.295 5.815 5.006 1.00 1.00 H new ATOM 0 HD2 LYS A 120 26.519 4.975 6.662 1.00 1.00 H new ATOM 0 HD3 LYS A 120 27.678 3.770 7.187 1.00 1.00 H new ATOM 0 HE2 LYS A 120 28.116 6.789 7.312 1.00 1.00 H new ATOM 0 HE3 LYS A 120 27.634 5.787 8.666 1.00 1.00 H new ATOM 0 HZ1 LYS A 120 29.978 6.190 8.753 1.00 1.00 H new ATOM 0 HZ2 LYS A 120 29.733 4.545 8.412 1.00 1.00 H new ATOM 0 HZ3 LYS A 120 30.202 5.608 7.174 1.00 1.00 H new ATOM 463 N LYS A 121 30.116 2.964 3.046 1.00 1.00 N ATOM 464 CA LYS A 121 31.579 2.865 3.092 1.00 1.00 C ATOM 465 C LYS A 121 32.223 3.189 1.739 1.00 1.00 C ATOM 466 O LYS A 121 33.201 3.930 1.681 1.00 1.00 O ATOM 467 CB LYS A 121 31.950 1.464 3.612 1.00 1.00 C ATOM 468 CG LYS A 121 33.347 1.356 4.231 1.00 1.00 C ATOM 469 CD LYS A 121 33.524 2.302 5.433 1.00 1.00 C ATOM 470 CE LYS A 121 34.532 1.695 6.419 1.00 1.00 C ATOM 471 NZ LYS A 121 35.007 2.694 7.415 1.00 1.00 N ATOM 0 H LYS A 121 29.643 2.077 3.218 1.00 1.00 H new ATOM 0 HA LYS A 121 31.978 3.614 3.776 1.00 1.00 H new ATOM 0 HB2 LYS A 121 31.214 1.162 4.357 1.00 1.00 H new ATOM 0 HB3 LYS A 121 31.878 0.755 2.787 1.00 1.00 H new ATOM 0 HG2 LYS A 121 33.523 0.329 4.550 1.00 1.00 H new ATOM 0 HG3 LYS A 121 34.097 1.588 3.475 1.00 1.00 H new ATOM 0 HD2 LYS A 121 33.873 3.277 5.093 1.00 1.00 H new ATOM 0 HD3 LYS A 121 32.566 2.461 5.928 1.00 1.00 H new ATOM 0 HE2 LYS A 121 34.070 0.856 6.939 1.00 1.00 H new ATOM 0 HE3 LYS A 121 35.385 1.298 5.868 1.00 1.00 H new ATOM 0 HZ1 LYS A 121 35.578 2.216 8.141 1.00 1.00 H new ATOM 0 HZ2 LYS A 121 35.587 3.413 6.936 1.00 1.00 H new ATOM 0 HZ3 LYS A 121 34.189 3.152 7.864 1.00 1.00 H new ATOM 485 N ALA A 122 31.620 2.716 0.647 1.00 1.00 N ATOM 486 CA ALA A 122 32.023 3.039 -0.718 1.00 1.00 C ATOM 487 C ALA A 122 31.818 4.525 -1.081 1.00 1.00 C ATOM 488 O ALA A 122 32.674 5.121 -1.737 1.00 1.00 O ATOM 489 CB ALA A 122 31.252 2.113 -1.663 1.00 1.00 C ATOM 0 H ALA A 122 30.821 2.084 0.691 1.00 1.00 H new ATOM 0 HA ALA A 122 33.097 2.878 -0.816 1.00 1.00 H new ATOM 0 HB1 ALA A 122 31.532 2.330 -2.694 1.00 1.00 H new ATOM 0 HB2 ALA A 122 31.493 1.075 -1.432 1.00 1.00 H new ATOM 0 HB3 ALA A 122 30.181 2.273 -1.536 1.00 1.00 H new ATOM 495 N MET A 123 30.723 5.154 -0.641 1.00 1.00 N ATOM 496 CA MET A 123 30.508 6.598 -0.803 1.00 1.00 C ATOM 497 C MET A 123 31.560 7.430 -0.048 1.00 1.00 C ATOM 498 O MET A 123 32.098 8.392 -0.598 1.00 1.00 O ATOM 499 CB MET A 123 29.097 6.994 -0.330 1.00 1.00 C ATOM 500 CG MET A 123 27.978 6.440 -1.218 1.00 1.00 C ATOM 501 SD MET A 123 26.316 6.574 -0.499 1.00 1.00 S ATOM 502 CE MET A 123 26.022 8.356 -0.666 1.00 1.00 C ATOM 0 H MET A 123 29.959 4.677 -0.162 1.00 1.00 H new ATOM 0 HA MET A 123 30.609 6.815 -1.866 1.00 1.00 H new ATOM 0 HB2 MET A 123 28.951 6.638 0.690 1.00 1.00 H new ATOM 0 HB3 MET A 123 29.023 8.081 -0.302 1.00 1.00 H new ATOM 0 HG2 MET A 123 27.992 6.968 -2.171 1.00 1.00 H new ATOM 0 HG3 MET A 123 28.185 5.391 -1.431 1.00 1.00 H new ATOM 0 HE1 MET A 123 25.037 8.601 -0.268 1.00 1.00 H new ATOM 0 HE2 MET A 123 26.784 8.904 -0.112 1.00 1.00 H new ATOM 0 HE3 MET A 123 26.067 8.635 -1.719 1.00 1.00 H new ATOM 512 N GLU A 124 31.881 7.054 1.195 1.00 1.00 N ATOM 513 CA GLU A 124 32.828 7.782 2.052 1.00 1.00 C ATOM 514 C GLU A 124 34.309 7.612 1.661 1.00 1.00 C ATOM 515 O GLU A 124 35.058 8.592 1.665 1.00 1.00 O ATOM 516 CB GLU A 124 32.659 7.333 3.515 1.00 1.00 C ATOM 517 CG GLU A 124 31.352 7.822 4.156 1.00 1.00 C ATOM 518 CD GLU A 124 31.258 7.387 5.633 1.00 1.00 C ATOM 519 OE1 GLU A 124 31.275 6.166 5.923 1.00 1.00 O ATOM 520 OE2 GLU A 124 31.145 8.262 6.528 1.00 1.00 O ATOM 0 H GLU A 124 31.487 6.226 1.641 1.00 1.00 H new ATOM 0 HA GLU A 124 32.585 8.836 1.919 1.00 1.00 H new ATOM 0 HB2 GLU A 124 32.692 6.244 3.559 1.00 1.00 H new ATOM 0 HB3 GLU A 124 33.502 7.701 4.100 1.00 1.00 H new ATOM 0 HG2 GLU A 124 31.296 8.909 4.090 1.00 1.00 H new ATOM 0 HG3 GLU A 124 30.501 7.425 3.602 1.00 1.00 H new ATOM 527 N GLU A 125 34.737 6.388 1.323 1.00 1.00 N ATOM 528 CA GLU A 125 36.162 6.030 1.153 1.00 1.00 C ATOM 529 C GLU A 125 36.588 5.673 -0.281 1.00 1.00 C ATOM 530 O GLU A 125 37.787 5.655 -0.578 1.00 1.00 O ATOM 531 CB GLU A 125 36.519 4.895 2.133 1.00 1.00 C ATOM 532 CG GLU A 125 36.343 5.326 3.606 1.00 1.00 C ATOM 533 CD GLU A 125 36.790 4.276 4.649 1.00 1.00 C ATOM 534 OE1 GLU A 125 37.398 3.241 4.285 1.00 1.00 O ATOM 535 OE2 GLU A 125 36.531 4.479 5.864 1.00 1.00 O ATOM 0 H GLU A 125 34.102 5.607 1.157 1.00 1.00 H new ATOM 0 HA GLU A 125 36.728 6.934 1.379 1.00 1.00 H new ATOM 0 HB2 GLU A 125 35.888 4.029 1.931 1.00 1.00 H new ATOM 0 HB3 GLU A 125 37.550 4.584 1.967 1.00 1.00 H new ATOM 0 HG2 GLU A 125 36.908 6.244 3.771 1.00 1.00 H new ATOM 0 HG3 GLU A 125 35.293 5.563 3.777 1.00 1.00 H new ATOM 542 N GLN A 126 35.627 5.433 -1.183 1.00 1.00 N ATOM 543 CA GLN A 126 35.876 5.148 -2.606 1.00 1.00 C ATOM 544 C GLN A 126 35.203 6.186 -3.532 1.00 1.00 C ATOM 545 O GLN A 126 35.298 6.073 -4.756 1.00 1.00 O ATOM 546 CB GLN A 126 35.474 3.692 -2.938 1.00 1.00 C ATOM 547 CG GLN A 126 36.194 2.629 -2.082 1.00 1.00 C ATOM 548 CD GLN A 126 35.841 1.202 -2.513 1.00 1.00 C ATOM 549 OE1 GLN A 126 34.681 0.836 -2.663 1.00 1.00 O ATOM 550 NE2 GLN A 126 36.814 0.337 -2.734 1.00 1.00 N ATOM 0 H GLN A 126 34.636 5.431 -0.942 1.00 1.00 H new ATOM 0 HA GLN A 126 36.945 5.242 -2.795 1.00 1.00 H new ATOM 0 HB2 GLN A 126 34.398 3.584 -2.803 1.00 1.00 H new ATOM 0 HB3 GLN A 126 35.684 3.499 -3.990 1.00 1.00 H new ATOM 0 HG2 GLN A 126 37.272 2.773 -2.158 1.00 1.00 H new ATOM 0 HG3 GLN A 126 35.927 2.767 -1.034 1.00 1.00 H new ATOM 0 HE21 GLN A 126 37.786 0.622 -2.615 1.00 1.00 H new ATOM 0 HE22 GLN A 126 36.593 -0.616 -3.024 1.00 1.00 H new ATOM 559 N GLY A 127 34.537 7.214 -2.979 1.00 1.00 N ATOM 560 CA GLY A 127 33.894 8.296 -3.744 1.00 1.00 C ATOM 561 C GLY A 127 32.702 7.860 -4.610 1.00 1.00 C ATOM 562 O GLY A 127 32.343 8.574 -5.551 1.00 1.00 O ATOM 0 H GLY A 127 34.429 7.318 -1.970 1.00 1.00 H new ATOM 0 HA2 GLY A 127 33.556 9.062 -3.046 1.00 1.00 H new ATOM 0 HA3 GLY A 127 34.642 8.759 -4.388 1.00 1.00 H new ATOM 566 N LYS A 128 32.107 6.685 -4.337 1.00 1.00 N ATOM 567 CA LYS A 128 30.965 6.141 -5.104 1.00 1.00 C ATOM 568 C LYS A 128 29.662 6.939 -4.909 1.00 1.00 C ATOM 569 O LYS A 128 29.548 7.800 -4.039 1.00 1.00 O ATOM 570 CB LYS A 128 30.761 4.647 -4.756 1.00 1.00 C ATOM 571 CG LYS A 128 31.880 3.712 -5.248 1.00 1.00 C ATOM 572 CD LYS A 128 32.095 3.775 -6.770 1.00 1.00 C ATOM 573 CE LYS A 128 32.814 2.508 -7.249 1.00 1.00 C ATOM 574 NZ LYS A 128 32.990 2.489 -8.727 1.00 1.00 N ATOM 0 H LYS A 128 32.405 6.079 -3.572 1.00 1.00 H new ATOM 0 HA LYS A 128 31.215 6.238 -6.161 1.00 1.00 H new ATOM 0 HB2 LYS A 128 30.674 4.549 -3.674 1.00 1.00 H new ATOM 0 HB3 LYS A 128 29.815 4.315 -5.183 1.00 1.00 H new ATOM 0 HG2 LYS A 128 32.811 3.973 -4.745 1.00 1.00 H new ATOM 0 HG3 LYS A 128 31.640 2.688 -4.963 1.00 1.00 H new ATOM 0 HD2 LYS A 128 31.135 3.873 -7.278 1.00 1.00 H new ATOM 0 HD3 LYS A 128 32.683 4.656 -7.027 1.00 1.00 H new ATOM 0 HE2 LYS A 128 33.790 2.441 -6.767 1.00 1.00 H new ATOM 0 HE3 LYS A 128 32.246 1.631 -6.941 1.00 1.00 H new ATOM 0 HZ1 LYS A 128 33.450 1.600 -9.010 1.00 1.00 H new ATOM 0 HZ2 LYS A 128 32.061 2.561 -9.188 1.00 1.00 H new ATOM 0 HZ3 LYS A 128 33.583 3.293 -9.016 1.00 1.00 H new ATOM 588 N GLN A 129 28.656 6.575 -5.708 1.00 1.00 N ATOM 589 CA GLN A 129 27.266 7.039 -5.647 1.00 1.00 C ATOM 590 C GLN A 129 26.336 5.825 -5.844 1.00 1.00 C ATOM 591 O GLN A 129 26.764 4.802 -6.376 1.00 1.00 O ATOM 592 CB GLN A 129 27.099 8.138 -6.722 1.00 1.00 C ATOM 593 CG GLN A 129 25.723 8.822 -6.818 1.00 1.00 C ATOM 594 CD GLN A 129 25.248 9.419 -5.492 1.00 1.00 C ATOM 595 OE1 GLN A 129 24.716 8.721 -4.640 1.00 1.00 O ATOM 596 NE2 GLN A 129 25.419 10.704 -5.261 1.00 1.00 N ATOM 0 H GLN A 129 28.799 5.905 -6.464 1.00 1.00 H new ATOM 0 HA GLN A 129 27.003 7.477 -4.684 1.00 1.00 H new ATOM 0 HB2 GLN A 129 27.848 8.908 -6.537 1.00 1.00 H new ATOM 0 HB3 GLN A 129 27.327 7.699 -7.693 1.00 1.00 H new ATOM 0 HG2 GLN A 129 25.770 9.612 -7.568 1.00 1.00 H new ATOM 0 HG3 GLN A 129 24.988 8.096 -7.165 1.00 1.00 H new ATOM 0 HE21 GLN A 129 25.862 11.294 -5.965 1.00 1.00 H new ATOM 0 HE22 GLN A 129 25.109 11.109 -4.378 1.00 1.00 H new ATOM 605 N LEU A 130 25.065 5.919 -5.442 1.00 1.00 N ATOM 606 CA LEU A 130 24.094 4.810 -5.467 1.00 1.00 C ATOM 607 C LEU A 130 23.925 4.180 -6.860 1.00 1.00 C ATOM 608 O LEU A 130 23.689 2.984 -6.977 1.00 1.00 O ATOM 609 CB LEU A 130 22.738 5.316 -4.932 1.00 1.00 C ATOM 610 CG LEU A 130 22.534 5.159 -3.414 1.00 1.00 C ATOM 611 CD1 LEU A 130 23.525 5.975 -2.587 1.00 1.00 C ATOM 612 CD2 LEU A 130 21.119 5.601 -3.041 1.00 1.00 C ATOM 0 H LEU A 130 24.669 6.787 -5.081 1.00 1.00 H new ATOM 0 HA LEU A 130 24.484 4.018 -4.827 1.00 1.00 H new ATOM 0 HB2 LEU A 130 22.634 6.370 -5.190 1.00 1.00 H new ATOM 0 HB3 LEU A 130 21.940 4.782 -5.447 1.00 1.00 H new ATOM 0 HG LEU A 130 22.698 4.106 -3.186 1.00 1.00 H new ATOM 0 HD11 LEU A 130 23.328 5.820 -1.526 1.00 1.00 H new ATOM 0 HD12 LEU A 130 24.541 5.655 -2.817 1.00 1.00 H new ATOM 0 HD13 LEU A 130 23.414 7.033 -2.826 1.00 1.00 H new ATOM 0 HD21 LEU A 130 20.975 5.490 -1.966 1.00 1.00 H new ATOM 0 HD22 LEU A 130 20.979 6.645 -3.320 1.00 1.00 H new ATOM 0 HD23 LEU A 130 20.393 4.983 -3.570 1.00 1.00 H new ATOM 624 N GLU A 131 24.096 4.963 -7.922 1.00 1.00 N ATOM 625 CA GLU A 131 24.048 4.494 -9.319 1.00 1.00 C ATOM 626 C GLU A 131 25.140 3.461 -9.669 1.00 1.00 C ATOM 627 O GLU A 131 24.949 2.681 -10.602 1.00 1.00 O ATOM 628 CB GLU A 131 24.134 5.690 -10.278 1.00 1.00 C ATOM 629 CG GLU A 131 22.918 6.618 -10.175 1.00 1.00 C ATOM 630 CD GLU A 131 23.034 7.794 -11.164 1.00 1.00 C ATOM 631 OE1 GLU A 131 23.594 8.855 -10.792 1.00 1.00 O ATOM 632 OE2 GLU A 131 22.558 7.671 -12.319 1.00 1.00 O ATOM 0 H GLU A 131 24.276 5.964 -7.842 1.00 1.00 H new ATOM 0 HA GLU A 131 23.093 3.981 -9.434 1.00 1.00 H new ATOM 0 HB2 GLU A 131 25.039 6.258 -10.064 1.00 1.00 H new ATOM 0 HB3 GLU A 131 24.222 5.325 -11.301 1.00 1.00 H new ATOM 0 HG2 GLU A 131 22.008 6.054 -10.380 1.00 1.00 H new ATOM 0 HG3 GLU A 131 22.834 7.001 -9.158 1.00 1.00 H new ATOM 639 N ASP A 132 26.248 3.389 -8.915 1.00 1.00 N ATOM 640 CA ASP A 132 27.234 2.302 -9.044 1.00 1.00 C ATOM 641 C ASP A 132 26.653 0.926 -8.640 1.00 1.00 C ATOM 642 O ASP A 132 27.139 -0.119 -9.082 1.00 1.00 O ATOM 643 CB ASP A 132 28.489 2.615 -8.216 1.00 1.00 C ATOM 644 CG ASP A 132 29.689 1.769 -8.670 1.00 1.00 C ATOM 645 OD1 ASP A 132 30.363 2.169 -9.650 1.00 1.00 O ATOM 646 OD2 ASP A 132 30.018 0.749 -8.022 1.00 1.00 O ATOM 0 H ASP A 132 26.486 4.078 -8.202 1.00 1.00 H new ATOM 0 HA ASP A 132 27.504 2.240 -10.098 1.00 1.00 H new ATOM 0 HB2 ASP A 132 28.733 3.673 -8.309 1.00 1.00 H new ATOM 0 HB3 ASP A 132 28.287 2.426 -7.162 1.00 1.00 H new ATOM 651 N PHE A 133 25.577 0.935 -7.845 1.00 1.00 N ATOM 652 CA PHE A 133 24.918 -0.233 -7.247 1.00 1.00 C ATOM 653 C PHE A 133 23.477 -0.432 -7.756 1.00 1.00 C ATOM 654 O PHE A 133 22.921 -1.521 -7.626 1.00 1.00 O ATOM 655 CB PHE A 133 24.928 -0.053 -5.722 1.00 1.00 C ATOM 656 CG PHE A 133 26.307 0.166 -5.124 1.00 1.00 C ATOM 657 CD1 PHE A 133 27.166 -0.930 -4.920 1.00 1.00 C ATOM 658 CD2 PHE A 133 26.731 1.459 -4.763 1.00 1.00 C ATOM 659 CE1 PHE A 133 28.439 -0.733 -4.352 1.00 1.00 C ATOM 660 CE2 PHE A 133 28.001 1.657 -4.191 1.00 1.00 C ATOM 661 CZ PHE A 133 28.857 0.557 -3.989 1.00 1.00 C ATOM 0 H PHE A 133 25.116 1.807 -7.587 1.00 1.00 H new ATOM 0 HA PHE A 133 25.466 -1.129 -7.539 1.00 1.00 H new ATOM 0 HB2 PHE A 133 24.295 0.796 -5.465 1.00 1.00 H new ATOM 0 HB3 PHE A 133 24.482 -0.934 -5.262 1.00 1.00 H new ATOM 0 HD1 PHE A 133 26.848 -1.924 -5.200 1.00 1.00 H new ATOM 0 HD2 PHE A 133 26.078 2.303 -4.926 1.00 1.00 H new ATOM 0 HE1 PHE A 133 29.095 -1.576 -4.195 1.00 1.00 H new ATOM 0 HE2 PHE A 133 28.319 2.650 -3.908 1.00 1.00 H new ATOM 0 HZ PHE A 133 29.835 0.706 -3.555 1.00 1.00 H new ATOM 671 N LEU A 134 22.865 0.609 -8.330 1.00 1.00 N ATOM 672 CA LEU A 134 21.551 0.602 -8.984 1.00 1.00 C ATOM 673 C LEU A 134 21.550 -0.391 -10.164 1.00 1.00 C ATOM 674 O LEU A 134 22.372 -0.279 -11.073 1.00 1.00 O ATOM 675 CB LEU A 134 21.252 2.048 -9.429 1.00 1.00 C ATOM 676 CG LEU A 134 19.786 2.432 -9.700 1.00 1.00 C ATOM 677 CD1 LEU A 134 19.731 3.896 -10.133 1.00 1.00 C ATOM 678 CD2 LEU A 134 19.102 1.597 -10.777 1.00 1.00 C ATOM 0 H LEU A 134 23.298 1.532 -8.352 1.00 1.00 H new ATOM 0 HA LEU A 134 20.767 0.268 -8.304 1.00 1.00 H new ATOM 0 HB2 LEU A 134 21.637 2.720 -8.662 1.00 1.00 H new ATOM 0 HB3 LEU A 134 21.822 2.242 -10.338 1.00 1.00 H new ATOM 0 HG LEU A 134 19.251 2.247 -8.769 1.00 1.00 H new ATOM 0 HD11 LEU A 134 18.697 4.179 -10.328 1.00 1.00 H new ATOM 0 HD12 LEU A 134 20.136 4.525 -9.341 1.00 1.00 H new ATOM 0 HD13 LEU A 134 20.321 4.030 -11.040 1.00 1.00 H new ATOM 0 HD21 LEU A 134 18.074 1.936 -10.902 1.00 1.00 H new ATOM 0 HD22 LEU A 134 19.638 1.709 -11.719 1.00 1.00 H new ATOM 0 HD23 LEU A 134 19.105 0.548 -10.481 1.00 1.00 H new ATOM 690 N ILE A 135 20.618 -1.350 -10.144 1.00 1.00 N ATOM 691 CA ILE A 135 20.528 -2.453 -11.127 1.00 1.00 C ATOM 692 C ILE A 135 19.170 -2.651 -11.841 1.00 1.00 C ATOM 693 O ILE A 135 19.146 -3.322 -12.874 1.00 1.00 O ATOM 694 CB ILE A 135 21.076 -3.780 -10.536 1.00 1.00 C ATOM 695 CG1 ILE A 135 20.592 -4.163 -9.116 1.00 1.00 C ATOM 696 CG2 ILE A 135 22.612 -3.729 -10.508 1.00 1.00 C ATOM 697 CD1 ILE A 135 19.096 -4.455 -8.985 1.00 1.00 C ATOM 0 H ILE A 135 19.888 -1.388 -9.433 1.00 1.00 H new ATOM 0 HA ILE A 135 21.175 -2.122 -11.940 1.00 1.00 H new ATOM 0 HB ILE A 135 20.677 -4.547 -11.200 1.00 1.00 H new ATOM 0 HG12 ILE A 135 21.146 -5.042 -8.787 1.00 1.00 H new ATOM 0 HG13 ILE A 135 20.847 -3.352 -8.433 1.00 1.00 H new ATOM 0 HG21 ILE A 135 22.999 -4.660 -10.093 1.00 1.00 H new ATOM 0 HG22 ILE A 135 22.990 -3.598 -11.522 1.00 1.00 H new ATOM 0 HG23 ILE A 135 22.937 -2.893 -9.889 1.00 1.00 H new ATOM 0 HD11 ILE A 135 18.865 -4.712 -7.951 1.00 1.00 H new ATOM 0 HD12 ILE A 135 18.526 -3.572 -9.275 1.00 1.00 H new ATOM 0 HD13 ILE A 135 18.830 -5.289 -9.635 1.00 1.00 H new ATOM 709 N LYS A 136 18.053 -2.071 -11.359 1.00 1.00 N ATOM 710 CA LYS A 136 16.702 -2.342 -11.919 1.00 1.00 C ATOM 711 C LYS A 136 16.206 -1.330 -12.970 1.00 1.00 C ATOM 712 O LYS A 136 15.459 -1.706 -13.869 1.00 1.00 O ATOM 713 CB LYS A 136 15.698 -2.503 -10.759 1.00 1.00 C ATOM 714 CG LYS A 136 14.318 -3.005 -11.231 1.00 1.00 C ATOM 715 CD LYS A 136 13.398 -3.343 -10.049 1.00 1.00 C ATOM 716 CE LYS A 136 11.969 -3.701 -10.487 1.00 1.00 C ATOM 717 NZ LYS A 136 11.887 -5.004 -11.213 1.00 1.00 N ATOM 0 H LYS A 136 18.054 -1.410 -10.582 1.00 1.00 H new ATOM 0 HA LYS A 136 16.783 -3.271 -12.484 1.00 1.00 H new ATOM 0 HB2 LYS A 136 16.103 -3.202 -10.027 1.00 1.00 H new ATOM 0 HB3 LYS A 136 15.578 -1.545 -10.252 1.00 1.00 H new ATOM 0 HG2 LYS A 136 13.847 -2.243 -11.852 1.00 1.00 H new ATOM 0 HG3 LYS A 136 14.447 -3.889 -11.855 1.00 1.00 H new ATOM 0 HD2 LYS A 136 13.822 -4.179 -9.492 1.00 1.00 H new ATOM 0 HD3 LYS A 136 13.362 -2.492 -9.368 1.00 1.00 H new ATOM 0 HE2 LYS A 136 11.325 -3.741 -9.608 1.00 1.00 H new ATOM 0 HE3 LYS A 136 11.583 -2.909 -11.129 1.00 1.00 H new ATOM 0 HZ1 LYS A 136 10.900 -5.190 -11.482 1.00 1.00 H new ATOM 0 HZ2 LYS A 136 12.477 -4.963 -12.068 1.00 1.00 H new ATOM 0 HZ3 LYS A 136 12.227 -5.768 -10.595 1.00 1.00 H new