USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 821 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 29 LYS NZ :NH3+ 162:sc= -1.46! (180deg=-1.39) USER MOD Set 1.2: A 74 CYS SG : rot -20:sc= 0.0425 USER MOD Single : A 1 SER N :NH3+ -170:sc= -0.0111 (180deg=-0.112) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 CYS SG : rot -95:sc= -0.402 USER MOD Single : A 8 LYS NZ :NH3+ -160:sc= 0.256 (180deg=-0.189) USER MOD Single : A 10 MET CE :methyl 159:sc= -0.24 (180deg=-0.927) USER MOD Single : A 11 SER OG : rot -73:sc= 0.943 USER MOD Single : A 12 TYR OH : rot 180:sc= -0.015 USER MOD Single : A 15 LYS NZ :NH3+ 148:sc= 1.25 (180deg=1.1) USER MOD Single : A 17 GLN : amide:sc= -0.073 K(o=-0.073,f=-0.71) USER MOD Single : A 19 SER OG : rot -44:sc= 0.856 USER MOD Single : A 23 ASN : amide:sc= -0.0244 X(o=-0.024,f=-0.028) USER MOD Single : A 24 LYS NZ :NH3+ -172:sc=-0.000435 (180deg=-0.082) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -1.17 K(o=-1.2,f=-4.4!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -26:sc= 0.467! USER MOD Single : A 45 LYS NZ :NH3+ 168:sc= 1.25 (180deg=1.18) USER MOD Single : A 46 ASN : amide:sc= -1.06 K(o=-1.1,f=-3.2!) USER MOD Single : A 47 SER OG : rot 92:sc= 1.05 USER MOD Single : A 48 ASN : amide:sc= -0.0294 X(o=-0.029,f=-0.28) USER MOD Single : A 58 THR OG1 : rot -14:sc= -0.54 USER MOD Single : A 60 LYS NZ :NH3+ -162:sc= 1.75 (180deg=1.5) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0387 USER MOD Single : A 63 THR OG1 : rot -167:sc= -0.751! USER MOD Single : A 70 TYR OH : rot -174:sc= 1.11 USER MOD Single : A 72 THR OG1 : rot 180:sc=-0.00345 USER MOD Single : A 73 SER OG : rot -71:sc= 1.18 USER MOD Single : A 77 LYS NZ :NH3+ 168:sc= -0.0237 (180deg=-0.165) USER MOD Single : A 78 LYS NZ :NH3+ 167:sc= -0.016 (180deg=-0.189) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : B 203 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 205 LYS NZ :NH3+ 151:sc= 1.8 (180deg=1.05) USER MOD Single : B 207 THR OG1 : rot 46:sc= 0.439 USER MOD Single : B 208 LYS NZ :NH3+ 171:sc= -0.73! (180deg=-0.895!) USER MOD Single : B 209 THR OG1 : rot 3:sc= 0.802 USER MOD Single : B 211 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : B 212 ASN : amide:sc= -0.114 X(o=-0.11,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -14.370 -7.050 -13.263 1.00 0.00 N ATOM 2 CA SER A 1 -14.237 -5.608 -13.547 1.00 0.00 C ATOM 3 C SER A 1 -15.192 -4.788 -12.678 1.00 0.00 C ATOM 4 O SER A 1 -14.869 -3.670 -12.282 1.00 0.00 O ATOM 5 CB SER A 1 -14.516 -5.345 -15.026 1.00 0.00 C ATOM 6 OG SER A 1 -13.864 -6.303 -15.843 1.00 0.00 O ATOM 0 H1 SER A 1 -13.602 -7.569 -13.735 1.00 0.00 H new ATOM 0 H2 SER A 1 -14.315 -7.208 -12.237 1.00 0.00 H new ATOM 0 H3 SER A 1 -15.287 -7.390 -13.617 1.00 0.00 H new ATOM 0 HA SER A 1 -13.218 -5.302 -13.311 1.00 0.00 H new ATOM 0 HB2 SER A 1 -15.590 -5.377 -15.209 1.00 0.00 H new ATOM 0 HB3 SER A 1 -14.177 -4.344 -15.292 1.00 0.00 H new ATOM 0 HG SER A 1 -14.058 -6.116 -16.785 1.00 0.00 H new ATOM 14 N GLU A 2 -16.360 -5.344 -12.365 1.00 0.00 N ATOM 15 CA GLU A 2 -17.356 -4.609 -11.590 1.00 0.00 C ATOM 16 C GLU A 2 -17.053 -4.656 -10.094 1.00 0.00 C ATOM 17 O GLU A 2 -17.439 -3.755 -9.351 1.00 0.00 O ATOM 18 CB GLU A 2 -18.774 -5.130 -11.866 1.00 0.00 C ATOM 19 CG GLU A 2 -18.936 -6.629 -11.688 1.00 0.00 C ATOM 20 CD GLU A 2 -20.306 -7.113 -12.113 1.00 0.00 C ATOM 21 OE1 GLU A 2 -20.605 -7.068 -13.325 1.00 0.00 O ATOM 22 OE2 GLU A 2 -21.088 -7.548 -11.244 1.00 0.00 O ATOM 0 H GLU A 2 -16.638 -6.288 -12.632 1.00 0.00 H new ATOM 0 HA GLU A 2 -17.305 -3.569 -11.911 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -19.471 -4.620 -11.202 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -19.053 -4.865 -12.886 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -18.174 -7.146 -12.270 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -18.769 -6.889 -10.643 1.00 0.00 H new ATOM 29 N GLU A 3 -16.339 -5.687 -9.653 1.00 0.00 N ATOM 30 CA GLU A 3 -16.054 -5.857 -8.231 1.00 0.00 C ATOM 31 C GLU A 3 -15.025 -4.847 -7.731 1.00 0.00 C ATOM 32 O GLU A 3 -14.949 -4.584 -6.534 1.00 0.00 O ATOM 33 CB GLU A 3 -15.577 -7.275 -7.918 1.00 0.00 C ATOM 34 CG GLU A 3 -16.674 -8.322 -7.995 1.00 0.00 C ATOM 35 CD GLU A 3 -16.254 -9.641 -7.386 1.00 0.00 C ATOM 36 OE1 GLU A 3 -15.589 -10.443 -8.075 1.00 0.00 O ATOM 37 OE2 GLU A 3 -16.587 -9.883 -6.207 1.00 0.00 O ATOM 0 H GLU A 3 -15.949 -6.413 -10.254 1.00 0.00 H new ATOM 0 HA GLU A 3 -16.993 -5.680 -7.707 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.782 -7.543 -8.614 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -15.143 -7.290 -6.918 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -17.561 -7.953 -7.481 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -16.952 -8.478 -9.037 1.00 0.00 H new ATOM 44 N GLU A 4 -14.233 -4.282 -8.633 1.00 0.00 N ATOM 45 CA GLU A 4 -13.247 -3.285 -8.229 1.00 0.00 C ATOM 46 C GLU A 4 -13.890 -1.905 -8.113 1.00 0.00 C ATOM 47 O GLU A 4 -13.400 -1.047 -7.385 1.00 0.00 O ATOM 48 CB GLU A 4 -12.047 -3.246 -9.187 1.00 0.00 C ATOM 49 CG GLU A 4 -12.411 -2.948 -10.630 1.00 0.00 C ATOM 50 CD GLU A 4 -11.193 -2.710 -11.498 1.00 0.00 C ATOM 51 OE1 GLU A 4 -10.326 -3.605 -11.585 1.00 0.00 O ATOM 52 OE2 GLU A 4 -11.084 -1.618 -12.088 1.00 0.00 O ATOM 0 H GLU A 4 -14.251 -4.491 -9.631 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.872 -3.578 -7.248 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -11.343 -2.491 -8.838 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -11.532 -4.206 -9.145 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -12.985 -3.781 -11.036 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.055 -2.069 -10.665 1.00 0.00 H new ATOM 59 N ASP A 5 -14.985 -1.691 -8.833 1.00 0.00 N ATOM 60 CA ASP A 5 -15.749 -0.452 -8.702 1.00 0.00 C ATOM 61 C ASP A 5 -16.814 -0.597 -7.620 1.00 0.00 C ATOM 62 O ASP A 5 -17.399 0.391 -7.172 1.00 0.00 O ATOM 63 CB ASP A 5 -16.394 -0.037 -10.034 1.00 0.00 C ATOM 64 CG ASP A 5 -15.374 0.408 -11.061 1.00 0.00 C ATOM 65 OD1 ASP A 5 -14.766 1.485 -10.867 1.00 0.00 O ATOM 66 OD2 ASP A 5 -15.189 -0.299 -12.076 1.00 0.00 O ATOM 0 H ASP A 5 -15.364 -2.353 -9.510 1.00 0.00 H new ATOM 0 HA ASP A 5 -15.053 0.335 -8.413 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -16.965 -0.875 -10.434 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -17.101 0.773 -9.854 1.00 0.00 H new ATOM 71 N LYS A 6 -17.071 -1.833 -7.205 1.00 0.00 N ATOM 72 CA LYS A 6 -18.078 -2.109 -6.191 1.00 0.00 C ATOM 73 C LYS A 6 -17.420 -2.786 -4.989 1.00 0.00 C ATOM 74 O LYS A 6 -18.021 -3.621 -4.305 1.00 0.00 O ATOM 75 CB LYS A 6 -19.189 -2.990 -6.785 1.00 0.00 C ATOM 76 CG LYS A 6 -20.415 -3.175 -5.893 1.00 0.00 C ATOM 77 CD LYS A 6 -21.403 -2.015 -5.984 1.00 0.00 C ATOM 78 CE LYS A 6 -20.870 -0.736 -5.357 1.00 0.00 C ATOM 79 NZ LYS A 6 -21.952 0.259 -5.133 1.00 0.00 N ATOM 0 H LYS A 6 -16.593 -2.662 -7.558 1.00 0.00 H new ATOM 0 HA LYS A 6 -18.530 -1.175 -5.856 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -19.510 -2.555 -7.731 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -18.772 -3.971 -7.011 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -20.922 -4.099 -6.170 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -20.090 -3.288 -4.859 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -21.642 -1.829 -7.031 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -22.333 -2.296 -5.490 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -20.388 -0.970 -4.408 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -20.107 -0.304 -6.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -21.551 1.118 -4.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -22.395 0.501 -6.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -22.668 -0.144 -4.495 1.00 0.00 H new ATOM 93 N CYS A 7 -16.175 -2.413 -4.742 1.00 0.00 N ATOM 94 CA CYS A 7 -15.404 -2.975 -3.647 1.00 0.00 C ATOM 95 C CYS A 7 -15.837 -2.346 -2.329 1.00 0.00 C ATOM 96 O CYS A 7 -16.070 -1.136 -2.251 1.00 0.00 O ATOM 97 CB CYS A 7 -13.904 -2.721 -3.902 1.00 0.00 C ATOM 98 SG CYS A 7 -13.564 -1.056 -4.512 1.00 0.00 S ATOM 0 H CYS A 7 -15.673 -1.716 -5.292 1.00 0.00 H new ATOM 0 HA CYS A 7 -15.579 -4.049 -3.587 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -13.351 -2.883 -2.977 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -13.536 -3.449 -4.625 1.00 0.00 H new ATOM 0 HG CYS A 7 -13.514 -1.072 -5.811 1.00 0.00 H new ATOM 104 N LYS A 8 -15.962 -3.170 -1.303 1.00 0.00 N ATOM 105 CA LYS A 8 -16.373 -2.689 0.004 1.00 0.00 C ATOM 106 C LYS A 8 -15.183 -2.136 0.778 1.00 0.00 C ATOM 107 O LYS A 8 -14.084 -2.693 0.722 1.00 0.00 O ATOM 108 CB LYS A 8 -17.043 -3.804 0.810 1.00 0.00 C ATOM 109 CG LYS A 8 -18.493 -4.057 0.431 1.00 0.00 C ATOM 110 CD LYS A 8 -18.627 -4.571 -0.993 1.00 0.00 C ATOM 111 CE LYS A 8 -20.079 -4.791 -1.380 1.00 0.00 C ATOM 112 NZ LYS A 8 -20.206 -5.296 -2.774 1.00 0.00 N ATOM 0 H LYS A 8 -15.785 -4.173 -1.350 1.00 0.00 H new ATOM 0 HA LYS A 8 -17.094 -1.887 -0.151 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -16.477 -4.726 0.675 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -16.994 -3.552 1.869 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -18.927 -4.781 1.120 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -19.062 -3.134 0.538 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -18.172 -3.858 -1.681 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -18.078 -5.507 -1.094 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -20.535 -5.503 -0.692 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -20.628 -3.855 -1.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -21.170 -5.118 -3.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -19.522 -4.806 -3.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -20.015 -6.318 -2.792 1.00 0.00 H new ATOM 126 N PRO A 9 -15.387 -1.025 1.506 1.00 0.00 N ATOM 127 CA PRO A 9 -14.336 -0.412 2.315 1.00 0.00 C ATOM 128 C PRO A 9 -13.914 -1.303 3.472 1.00 0.00 C ATOM 129 O PRO A 9 -14.749 -1.735 4.268 1.00 0.00 O ATOM 130 CB PRO A 9 -14.966 0.867 2.871 1.00 0.00 C ATOM 131 CG PRO A 9 -16.252 1.058 2.140 1.00 0.00 C ATOM 132 CD PRO A 9 -16.660 -0.289 1.604 1.00 0.00 C ATOM 0 HA PRO A 9 -13.442 -0.234 1.717 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -15.139 0.780 3.944 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -14.305 1.721 2.723 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -17.018 1.456 2.805 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -16.131 1.775 1.328 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -17.362 -0.790 2.271 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -17.149 -0.203 0.633 1.00 0.00 H new ATOM 140 N MET A 10 -12.626 -1.583 3.561 1.00 0.00 N ATOM 141 CA MET A 10 -12.099 -2.332 4.686 1.00 0.00 C ATOM 142 C MET A 10 -12.055 -1.436 5.920 1.00 0.00 C ATOM 143 O MET A 10 -11.944 -0.214 5.809 1.00 0.00 O ATOM 144 CB MET A 10 -10.713 -2.895 4.369 1.00 0.00 C ATOM 145 CG MET A 10 -9.667 -1.843 4.075 1.00 0.00 C ATOM 146 SD MET A 10 -8.044 -2.557 3.756 1.00 0.00 S ATOM 147 CE MET A 10 -8.417 -3.685 2.412 1.00 0.00 C ATOM 0 H MET A 10 -11.929 -1.304 2.871 1.00 0.00 H new ATOM 0 HA MET A 10 -12.757 -3.178 4.886 1.00 0.00 H new ATOM 0 HB2 MET A 10 -10.377 -3.499 5.212 1.00 0.00 H new ATOM 0 HB3 MET A 10 -10.792 -3.562 3.511 1.00 0.00 H new ATOM 0 HG2 MET A 10 -9.979 -1.256 3.211 1.00 0.00 H new ATOM 0 HG3 MET A 10 -9.599 -1.156 4.919 1.00 0.00 H new ATOM 0 HE1 MET A 10 -7.502 -3.915 1.865 1.00 0.00 H new ATOM 0 HE2 MET A 10 -8.839 -4.605 2.816 1.00 0.00 H new ATOM 0 HE3 MET A 10 -9.137 -3.222 1.737 1.00 0.00 H new ATOM 157 N SER A 11 -12.155 -2.051 7.083 1.00 0.00 N ATOM 158 CA SER A 11 -12.292 -1.320 8.336 1.00 0.00 C ATOM 159 C SER A 11 -10.963 -0.737 8.826 1.00 0.00 C ATOM 160 O SER A 11 -9.909 -1.004 8.243 1.00 0.00 O ATOM 161 CB SER A 11 -12.893 -2.239 9.400 1.00 0.00 C ATOM 162 OG SER A 11 -12.163 -3.456 9.499 1.00 0.00 O ATOM 0 H SER A 11 -12.144 -3.065 7.190 1.00 0.00 H new ATOM 0 HA SER A 11 -12.957 -0.476 8.154 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.893 -1.732 10.365 1.00 0.00 H new ATOM 0 HB3 SER A 11 -13.933 -2.454 9.153 1.00 0.00 H new ATOM 0 HG SER A 11 -12.359 -4.019 8.721 1.00 0.00 H new ATOM 168 N TYR A 12 -11.026 0.050 9.902 1.00 0.00 N ATOM 169 CA TYR A 12 -9.834 0.665 10.505 1.00 0.00 C ATOM 170 C TYR A 12 -8.782 -0.402 10.815 1.00 0.00 C ATOM 171 O TYR A 12 -7.589 -0.195 10.585 1.00 0.00 O ATOM 172 CB TYR A 12 -10.245 1.420 11.782 1.00 0.00 C ATOM 173 CG TYR A 12 -9.143 2.227 12.447 1.00 0.00 C ATOM 174 CD1 TYR A 12 -8.113 1.600 13.131 1.00 0.00 C ATOM 175 CD2 TYR A 12 -9.155 3.617 12.419 1.00 0.00 C ATOM 176 CE1 TYR A 12 -7.125 2.326 13.762 1.00 0.00 C ATOM 177 CE2 TYR A 12 -8.166 4.353 13.048 1.00 0.00 C ATOM 178 CZ TYR A 12 -7.154 3.700 13.720 1.00 0.00 C ATOM 179 OH TYR A 12 -6.165 4.423 14.348 1.00 0.00 O ATOM 0 H TYR A 12 -11.897 0.280 10.380 1.00 0.00 H new ATOM 0 HA TYR A 12 -9.393 1.372 9.802 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -11.067 2.093 11.537 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -10.628 0.698 12.503 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -8.084 0.521 13.170 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -9.949 4.131 11.898 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -6.331 1.817 14.288 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -8.187 5.432 13.013 1.00 0.00 H new ATOM 0 HH TYR A 12 -6.331 5.381 14.223 1.00 0.00 H new ATOM 189 N GLU A 13 -9.242 -1.550 11.304 1.00 0.00 N ATOM 190 CA GLU A 13 -8.366 -2.671 11.630 1.00 0.00 C ATOM 191 C GLU A 13 -7.541 -3.061 10.407 1.00 0.00 C ATOM 192 O GLU A 13 -6.314 -3.160 10.467 1.00 0.00 O ATOM 193 CB GLU A 13 -9.223 -3.860 12.091 1.00 0.00 C ATOM 194 CG GLU A 13 -8.485 -4.919 12.905 1.00 0.00 C ATOM 195 CD GLU A 13 -7.384 -5.620 12.139 1.00 0.00 C ATOM 196 OE1 GLU A 13 -7.677 -6.237 11.095 1.00 0.00 O ATOM 197 OE2 GLU A 13 -6.219 -5.559 12.585 1.00 0.00 O ATOM 0 H GLU A 13 -10.230 -1.729 11.485 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.684 -2.382 12.430 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -10.052 -3.479 12.688 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.656 -4.337 11.212 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -8.057 -4.450 13.791 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.203 -5.662 13.253 1.00 0.00 H new ATOM 204 N GLU A 14 -8.232 -3.225 9.291 1.00 0.00 N ATOM 205 CA GLU A 14 -7.625 -3.728 8.067 1.00 0.00 C ATOM 206 C GLU A 14 -6.746 -2.665 7.416 1.00 0.00 C ATOM 207 O GLU A 14 -5.649 -2.964 6.951 1.00 0.00 O ATOM 208 CB GLU A 14 -8.717 -4.192 7.105 1.00 0.00 C ATOM 209 CG GLU A 14 -9.532 -5.359 7.641 1.00 0.00 C ATOM 210 CD GLU A 14 -10.844 -5.532 6.912 1.00 0.00 C ATOM 211 OE1 GLU A 14 -11.775 -4.733 7.162 1.00 0.00 O ATOM 212 OE2 GLU A 14 -10.954 -6.468 6.092 1.00 0.00 O ATOM 0 H GLU A 14 -9.226 -3.014 9.207 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.987 -4.576 8.315 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.385 -3.357 6.894 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.260 -4.481 6.159 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.948 -6.276 7.554 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.727 -5.204 8.702 1.00 0.00 H new ATOM 219 N LYS A 15 -7.234 -1.428 7.395 1.00 0.00 N ATOM 220 CA LYS A 15 -6.458 -0.300 6.893 1.00 0.00 C ATOM 221 C LYS A 15 -5.144 -0.162 7.662 1.00 0.00 C ATOM 222 O LYS A 15 -4.083 0.064 7.076 1.00 0.00 O ATOM 223 CB LYS A 15 -7.269 0.991 7.009 1.00 0.00 C ATOM 224 CG LYS A 15 -8.407 1.093 6.010 1.00 0.00 C ATOM 225 CD LYS A 15 -9.409 2.162 6.415 1.00 0.00 C ATOM 226 CE LYS A 15 -10.021 2.838 5.203 1.00 0.00 C ATOM 227 NZ LYS A 15 -11.067 3.822 5.588 1.00 0.00 N ATOM 0 H LYS A 15 -8.168 -1.181 7.722 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.227 -0.483 5.844 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.676 1.064 8.018 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.601 1.842 6.873 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.006 1.323 5.023 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.912 0.130 5.932 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.197 1.713 7.019 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.915 2.908 7.038 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.239 3.342 4.635 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.456 2.084 4.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.078 4.604 4.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.996 3.355 5.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.860 4.196 6.536 1.00 0.00 H new ATOM 241 N ARG A 16 -5.225 -0.310 8.980 1.00 0.00 N ATOM 242 CA ARG A 16 -4.040 -0.264 9.833 1.00 0.00 C ATOM 243 C ARG A 16 -3.084 -1.404 9.492 1.00 0.00 C ATOM 244 O ARG A 16 -1.882 -1.193 9.331 1.00 0.00 O ATOM 245 CB ARG A 16 -4.441 -0.353 11.307 1.00 0.00 C ATOM 246 CG ARG A 16 -3.258 -0.395 12.259 1.00 0.00 C ATOM 247 CD ARG A 16 -3.628 -1.100 13.551 1.00 0.00 C ATOM 248 NE ARG A 16 -4.038 -2.489 13.324 1.00 0.00 N ATOM 249 CZ ARG A 16 -3.551 -3.532 13.998 1.00 0.00 C ATOM 250 NH1 ARG A 16 -2.589 -3.360 14.897 1.00 0.00 N ATOM 251 NH2 ARG A 16 -4.025 -4.750 13.772 1.00 0.00 N ATOM 0 H ARG A 16 -6.099 -0.463 9.482 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.533 0.685 9.656 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -5.067 0.504 11.557 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.048 -1.246 11.456 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.423 -0.910 11.785 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.925 0.620 12.476 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.776 -1.081 14.231 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.438 -0.559 14.040 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.740 -2.669 12.606 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.219 -2.427 15.075 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.221 -4.161 15.409 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.763 -4.890 13.082 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.652 -5.547 14.288 1.00 0.00 H new ATOM 265 N GLN A 17 -3.628 -2.610 9.377 1.00 0.00 N ATOM 266 CA GLN A 17 -2.830 -3.786 9.071 1.00 0.00 C ATOM 267 C GLN A 17 -2.228 -3.690 7.675 1.00 0.00 C ATOM 268 O GLN A 17 -1.173 -4.248 7.411 1.00 0.00 O ATOM 269 CB GLN A 17 -3.681 -5.051 9.197 1.00 0.00 C ATOM 270 CG GLN A 17 -2.878 -6.335 9.073 1.00 0.00 C ATOM 271 CD GLN A 17 -1.871 -6.510 10.196 1.00 0.00 C ATOM 272 OE1 GLN A 17 -2.081 -6.051 11.319 1.00 0.00 O ATOM 273 NE2 GLN A 17 -0.768 -7.177 9.900 1.00 0.00 N ATOM 0 H GLN A 17 -4.624 -2.797 9.492 1.00 0.00 H new ATOM 0 HA GLN A 17 -2.012 -3.838 9.789 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.191 -5.042 10.160 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.453 -5.039 8.428 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.560 -7.185 9.067 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.354 -6.340 8.117 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.630 -7.542 8.958 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -0.055 -7.326 10.614 1.00 0.00 H new ATOM 282 N LEU A 18 -2.901 -2.962 6.801 1.00 0.00 N ATOM 283 CA LEU A 18 -2.426 -2.751 5.435 1.00 0.00 C ATOM 284 C LEU A 18 -1.199 -1.846 5.454 1.00 0.00 C ATOM 285 O LEU A 18 -0.246 -2.030 4.708 1.00 0.00 O ATOM 286 CB LEU A 18 -3.543 -2.129 4.594 1.00 0.00 C ATOM 287 CG LEU A 18 -3.670 -2.629 3.148 1.00 0.00 C ATOM 288 CD1 LEU A 18 -4.968 -2.144 2.538 1.00 0.00 C ATOM 289 CD2 LEU A 18 -2.509 -2.167 2.291 1.00 0.00 C ATOM 0 H LEU A 18 -3.786 -2.501 7.011 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.147 -3.706 4.991 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.491 -2.307 5.101 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.392 -1.050 4.570 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.660 -3.719 3.179 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.046 -2.506 1.513 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.808 -2.523 3.121 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.986 -1.054 2.541 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.635 -2.541 1.275 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.479 -1.078 2.275 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.576 -2.550 2.705 1.00 0.00 H new ATOM 301 N SER A 19 -1.218 -0.864 6.328 1.00 0.00 N ATOM 302 CA SER A 19 -0.039 -0.045 6.544 1.00 0.00 C ATOM 303 C SER A 19 1.109 -0.913 7.069 1.00 0.00 C ATOM 304 O SER A 19 2.286 -0.679 6.770 1.00 0.00 O ATOM 305 CB SER A 19 -0.365 1.078 7.528 1.00 0.00 C ATOM 306 OG SER A 19 -1.495 1.815 7.095 1.00 0.00 O ATOM 0 H SER A 19 -2.026 -0.612 6.897 1.00 0.00 H new ATOM 0 HA SER A 19 0.272 0.401 5.600 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.556 0.658 8.516 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.493 1.743 7.625 1.00 0.00 H new ATOM 0 HG SER A 19 -1.422 1.992 6.134 1.00 0.00 H new ATOM 312 N LEU A 20 0.745 -1.937 7.825 1.00 0.00 N ATOM 313 CA LEU A 20 1.711 -2.853 8.401 1.00 0.00 C ATOM 314 C LEU A 20 2.188 -3.887 7.380 1.00 0.00 C ATOM 315 O LEU A 20 3.340 -4.325 7.427 1.00 0.00 O ATOM 316 CB LEU A 20 1.102 -3.549 9.619 1.00 0.00 C ATOM 317 CG LEU A 20 0.855 -2.645 10.824 1.00 0.00 C ATOM 318 CD1 LEU A 20 0.077 -3.401 11.880 1.00 0.00 C ATOM 319 CD2 LEU A 20 2.174 -2.158 11.395 1.00 0.00 C ATOM 0 H LEU A 20 -0.225 -2.154 8.055 1.00 0.00 H new ATOM 0 HA LEU A 20 2.581 -2.275 8.711 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.156 -4.002 9.324 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.763 -4.361 9.923 1.00 0.00 H new ATOM 0 HG LEU A 20 0.274 -1.780 10.505 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.097 -2.752 12.738 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.880 -3.721 11.467 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.647 -4.275 12.196 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.983 -1.514 12.254 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.773 -3.013 11.708 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.715 -1.596 10.633 1.00 0.00 H new ATOM 331 N ASP A 21 1.311 -4.268 6.454 1.00 0.00 N ATOM 332 CA ASP A 21 1.635 -5.304 5.480 1.00 0.00 C ATOM 333 C ASP A 21 2.496 -4.760 4.337 1.00 0.00 C ATOM 334 O ASP A 21 3.354 -5.471 3.809 1.00 0.00 O ATOM 335 CB ASP A 21 0.365 -6.020 4.973 1.00 0.00 C ATOM 336 CG ASP A 21 -0.649 -5.151 4.270 1.00 0.00 C ATOM 337 OD1 ASP A 21 -0.259 -4.280 3.486 1.00 0.00 O ATOM 338 OD2 ASP A 21 -1.861 -5.382 4.488 1.00 0.00 O ATOM 0 H ASP A 21 0.374 -3.876 6.359 1.00 0.00 H new ATOM 0 HA ASP A 21 2.238 -6.056 5.989 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.668 -6.815 4.291 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.122 -6.498 5.823 1.00 0.00 H new ATOM 343 N ILE A 22 2.304 -3.496 3.980 1.00 0.00 N ATOM 344 CA ILE A 22 3.170 -2.850 2.994 1.00 0.00 C ATOM 345 C ILE A 22 4.540 -2.585 3.597 1.00 0.00 C ATOM 346 O ILE A 22 5.564 -2.684 2.922 1.00 0.00 O ATOM 347 CB ILE A 22 2.560 -1.528 2.487 1.00 0.00 C ATOM 348 CG1 ILE A 22 1.251 -1.807 1.755 1.00 0.00 C ATOM 349 CG2 ILE A 22 3.523 -0.790 1.574 1.00 0.00 C ATOM 350 CD1 ILE A 22 0.410 -0.578 1.579 1.00 0.00 C ATOM 0 H ILE A 22 1.565 -2.900 4.353 1.00 0.00 H new ATOM 0 HA ILE A 22 3.269 -3.526 2.144 1.00 0.00 H new ATOM 0 HB ILE A 22 2.363 -0.892 3.350 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.471 -2.234 0.777 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.683 -2.554 2.309 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.063 0.138 1.234 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.439 -0.562 2.119 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.759 -1.415 0.713 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.508 -0.838 1.052 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.163 -0.163 2.556 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.963 0.162 1.000 1.00 0.00 H new ATOM 362 N ASN A 23 4.544 -2.273 4.889 1.00 0.00 N ATOM 363 CA ASN A 23 5.778 -2.077 5.640 1.00 0.00 C ATOM 364 C ASN A 23 6.641 -3.347 5.607 1.00 0.00 C ATOM 365 O ASN A 23 7.859 -3.294 5.788 1.00 0.00 O ATOM 366 CB ASN A 23 5.428 -1.687 7.082 1.00 0.00 C ATOM 367 CG ASN A 23 6.609 -1.740 8.034 1.00 0.00 C ATOM 368 OD1 ASN A 23 6.855 -2.756 8.687 1.00 0.00 O ATOM 369 ND2 ASN A 23 7.340 -0.643 8.130 1.00 0.00 N ATOM 0 H ASN A 23 3.696 -2.149 5.442 1.00 0.00 H new ATOM 0 HA ASN A 23 6.359 -1.276 5.183 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.015 -0.678 7.086 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.647 -2.353 7.449 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.140 -0.617 8.762 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.104 0.178 7.572 1.00 0.00 H new ATOM 376 N LYS A 24 5.997 -4.483 5.349 1.00 0.00 N ATOM 377 CA LYS A 24 6.684 -5.771 5.292 1.00 0.00 C ATOM 378 C LYS A 24 7.423 -5.962 3.972 1.00 0.00 C ATOM 379 O LYS A 24 8.489 -6.577 3.936 1.00 0.00 O ATOM 380 CB LYS A 24 5.680 -6.908 5.476 1.00 0.00 C ATOM 381 CG LYS A 24 5.116 -7.006 6.880 1.00 0.00 C ATOM 382 CD LYS A 24 4.060 -8.090 6.977 1.00 0.00 C ATOM 383 CE LYS A 24 3.425 -8.134 8.357 1.00 0.00 C ATOM 384 NZ LYS A 24 4.410 -8.459 9.422 1.00 0.00 N ATOM 0 H LYS A 24 4.993 -4.537 5.175 1.00 0.00 H new ATOM 0 HA LYS A 24 7.418 -5.785 6.098 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.858 -6.772 4.773 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.163 -7.851 5.222 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.921 -7.216 7.584 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.684 -6.048 7.168 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.289 -7.915 6.227 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.510 -9.057 6.752 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.964 -7.170 8.573 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.628 -8.877 8.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.911 -8.611 10.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.929 -9.323 9.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.080 -7.671 9.527 1.00 0.00 H new ATOM 398 N LEU A 25 6.850 -5.441 2.894 1.00 0.00 N ATOM 399 CA LEU A 25 7.411 -5.624 1.558 1.00 0.00 C ATOM 400 C LEU A 25 8.819 -5.051 1.448 1.00 0.00 C ATOM 401 O LEU A 25 9.056 -3.898 1.812 1.00 0.00 O ATOM 402 CB LEU A 25 6.526 -4.950 0.516 1.00 0.00 C ATOM 403 CG LEU A 25 5.088 -5.431 0.451 1.00 0.00 C ATOM 404 CD1 LEU A 25 4.437 -4.905 -0.805 1.00 0.00 C ATOM 405 CD2 LEU A 25 5.026 -6.938 0.492 1.00 0.00 C ATOM 0 H LEU A 25 5.994 -4.886 2.918 1.00 0.00 H new ATOM 0 HA LEU A 25 7.458 -6.698 1.377 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.521 -3.878 0.712 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.980 -5.093 -0.464 1.00 0.00 H new ATOM 0 HG LEU A 25 4.547 -5.052 1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.404 -5.251 -0.852 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.455 -3.815 -0.795 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.981 -5.269 -1.677 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.986 -7.261 0.444 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.573 -7.348 -0.357 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.475 -7.296 1.419 1.00 0.00 H new ATOM 417 N PRO A 26 9.777 -5.857 0.956 1.00 0.00 N ATOM 418 CA PRO A 26 11.127 -5.376 0.643 1.00 0.00 C ATOM 419 C PRO A 26 11.087 -4.225 -0.358 1.00 0.00 C ATOM 420 O PRO A 26 10.181 -4.171 -1.189 1.00 0.00 O ATOM 421 CB PRO A 26 11.810 -6.599 0.026 1.00 0.00 C ATOM 422 CG PRO A 26 11.056 -7.766 0.557 1.00 0.00 C ATOM 423 CD PRO A 26 9.634 -7.304 0.701 1.00 0.00 C ATOM 0 HA PRO A 26 11.646 -4.990 1.520 1.00 0.00 H new ATOM 0 HB2 PRO A 26 11.771 -6.566 -1.063 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.862 -6.648 0.306 1.00 0.00 H new ATOM 0 HG2 PRO A 26 11.124 -8.617 -0.121 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.461 -8.090 1.516 1.00 0.00 H new ATOM 0 HD2 PRO A 26 9.053 -7.499 -0.201 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.127 -7.810 1.522 1.00 0.00 H new ATOM 431 N GLY A 27 12.075 -3.331 -0.279 1.00 0.00 N ATOM 432 CA GLY A 27 12.100 -2.106 -1.080 1.00 0.00 C ATOM 433 C GLY A 27 11.644 -2.272 -2.524 1.00 0.00 C ATOM 434 O GLY A 27 10.883 -1.449 -3.031 1.00 0.00 O ATOM 0 H GLY A 27 12.878 -3.436 0.341 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.466 -1.362 -0.598 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.115 -1.709 -1.079 1.00 0.00 H new ATOM 438 N GLU A 28 12.106 -3.330 -3.182 1.00 0.00 N ATOM 439 CA GLU A 28 11.738 -3.598 -4.572 1.00 0.00 C ATOM 440 C GLU A 28 10.224 -3.768 -4.709 1.00 0.00 C ATOM 441 O GLU A 28 9.573 -3.072 -5.486 1.00 0.00 O ATOM 442 CB GLU A 28 12.464 -4.864 -5.069 1.00 0.00 C ATOM 443 CG GLU A 28 12.033 -5.354 -6.442 1.00 0.00 C ATOM 444 CD GLU A 28 12.388 -6.809 -6.671 1.00 0.00 C ATOM 445 OE1 GLU A 28 13.527 -7.085 -7.103 1.00 0.00 O ATOM 446 OE2 GLU A 28 11.530 -7.683 -6.422 1.00 0.00 O ATOM 0 H GLU A 28 12.738 -4.019 -2.775 1.00 0.00 H new ATOM 0 HA GLU A 28 12.041 -2.748 -5.183 1.00 0.00 H new ATOM 0 HB2 GLU A 28 13.536 -4.665 -5.090 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.303 -5.664 -4.347 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.956 -5.224 -6.550 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.507 -4.742 -7.209 1.00 0.00 H new ATOM 453 N LYS A 29 9.676 -4.692 -3.934 1.00 0.00 N ATOM 454 CA LYS A 29 8.248 -4.964 -3.931 1.00 0.00 C ATOM 455 C LYS A 29 7.469 -3.764 -3.405 1.00 0.00 C ATOM 456 O LYS A 29 6.365 -3.466 -3.859 1.00 0.00 O ATOM 457 CB LYS A 29 7.983 -6.187 -3.055 1.00 0.00 C ATOM 458 CG LYS A 29 8.527 -7.485 -3.628 1.00 0.00 C ATOM 459 CD LYS A 29 7.726 -7.942 -4.839 1.00 0.00 C ATOM 460 CE LYS A 29 8.212 -9.282 -5.368 1.00 0.00 C ATOM 461 NZ LYS A 29 8.230 -10.331 -4.315 1.00 0.00 N ATOM 0 H LYS A 29 10.210 -5.274 -3.289 1.00 0.00 H new ATOM 0 HA LYS A 29 7.916 -5.157 -4.951 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.426 -6.021 -2.073 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.908 -6.289 -2.907 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.571 -7.349 -3.912 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.503 -8.260 -2.862 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.673 -8.019 -4.570 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.800 -7.192 -5.627 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.567 -9.603 -6.186 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.215 -9.166 -5.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.267 -11.270 -4.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.066 -10.202 -3.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.369 -10.256 -3.736 1.00 0.00 H new ATOM 475 N LEU A 30 8.069 -3.094 -2.449 1.00 0.00 N ATOM 476 CA LEU A 30 7.496 -1.915 -1.822 1.00 0.00 C ATOM 477 C LEU A 30 7.298 -0.781 -2.826 1.00 0.00 C ATOM 478 O LEU A 30 6.269 -0.107 -2.795 1.00 0.00 O ATOM 479 CB LEU A 30 8.417 -1.487 -0.679 1.00 0.00 C ATOM 480 CG LEU A 30 7.991 -0.256 0.098 1.00 0.00 C ATOM 481 CD1 LEU A 30 6.497 -0.277 0.374 1.00 0.00 C ATOM 482 CD2 LEU A 30 8.782 -0.192 1.396 1.00 0.00 C ATOM 0 H LEU A 30 8.982 -3.353 -2.076 1.00 0.00 H new ATOM 0 HA LEU A 30 6.507 -2.156 -1.433 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.506 -2.319 0.019 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.411 -1.307 -1.089 1.00 0.00 H new ATOM 0 HG LEU A 30 8.198 0.634 -0.496 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.218 0.616 0.932 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.953 -0.300 -0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.247 -1.163 0.958 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.482 0.690 1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.584 -1.086 1.987 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.847 -0.134 1.171 1.00 0.00 H new ATOM 494 N GLY A 31 8.263 -0.594 -3.724 1.00 0.00 N ATOM 495 CA GLY A 31 8.183 0.481 -4.709 1.00 0.00 C ATOM 496 C GLY A 31 6.906 0.443 -5.534 1.00 0.00 C ATOM 497 O GLY A 31 6.423 1.483 -5.985 1.00 0.00 O ATOM 0 H GLY A 31 9.103 -1.168 -3.790 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.248 1.441 -4.196 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.042 0.418 -5.377 1.00 0.00 H new ATOM 501 N ARG A 32 6.353 -0.750 -5.721 1.00 0.00 N ATOM 502 CA ARG A 32 5.103 -0.904 -6.453 1.00 0.00 C ATOM 503 C ARG A 32 3.961 -0.208 -5.725 1.00 0.00 C ATOM 504 O ARG A 32 3.203 0.535 -6.333 1.00 0.00 O ATOM 505 CB ARG A 32 4.766 -2.383 -6.638 1.00 0.00 C ATOM 506 CG ARG A 32 3.409 -2.637 -7.294 1.00 0.00 C ATOM 507 CD ARG A 32 3.343 -2.059 -8.705 1.00 0.00 C ATOM 508 NE ARG A 32 4.376 -2.613 -9.581 1.00 0.00 N ATOM 509 CZ ARG A 32 4.494 -2.311 -10.873 1.00 0.00 C ATOM 510 NH1 ARG A 32 3.618 -1.496 -11.451 1.00 0.00 N ATOM 511 NH2 ARG A 32 5.480 -2.836 -11.589 1.00 0.00 N ATOM 0 H ARG A 32 6.751 -1.624 -5.376 1.00 0.00 H new ATOM 0 HA ARG A 32 5.231 -0.443 -7.432 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.543 -2.849 -7.244 1.00 0.00 H new ATOM 0 HB3 ARG A 32 4.784 -2.873 -5.665 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.219 -3.710 -7.332 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.622 -2.195 -6.683 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.361 -2.261 -9.132 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.453 -0.976 -8.657 1.00 0.00 H new ATOM 0 HE ARG A 32 5.045 -3.269 -9.179 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.853 -1.100 -10.905 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.711 -1.266 -12.440 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.147 -3.471 -11.150 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.571 -2.605 -12.578 1.00 0.00 H new ATOM 525 N VAL A 33 3.862 -0.437 -4.422 1.00 0.00 N ATOM 526 CA VAL A 33 2.744 0.077 -3.634 1.00 0.00 C ATOM 527 C VAL A 33 2.775 1.589 -3.573 1.00 0.00 C ATOM 528 O VAL A 33 1.768 2.237 -3.844 1.00 0.00 O ATOM 529 CB VAL A 33 2.726 -0.488 -2.201 1.00 0.00 C ATOM 530 CG1 VAL A 33 1.297 -0.715 -1.760 1.00 0.00 C ATOM 531 CG2 VAL A 33 3.521 -1.776 -2.099 1.00 0.00 C ATOM 0 H VAL A 33 4.542 -0.976 -3.886 1.00 0.00 H new ATOM 0 HA VAL A 33 1.836 -0.252 -4.140 1.00 0.00 H new ATOM 0 HB VAL A 33 3.198 0.241 -1.542 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.288 -1.115 -0.746 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.755 0.230 -1.782 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.817 -1.425 -2.434 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.486 -2.145 -1.074 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.092 -2.522 -2.768 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.557 -1.588 -2.381 1.00 0.00 H new ATOM 541 N VAL A 34 3.937 2.146 -3.244 1.00 0.00 N ATOM 542 CA VAL A 34 4.117 3.602 -3.247 1.00 0.00 C ATOM 543 C VAL A 34 3.634 4.172 -4.578 1.00 0.00 C ATOM 544 O VAL A 34 2.969 5.209 -4.626 1.00 0.00 O ATOM 545 CB VAL A 34 5.602 4.008 -2.988 1.00 0.00 C ATOM 546 CG1 VAL A 34 6.486 2.790 -2.976 1.00 0.00 C ATOM 547 CG2 VAL A 34 6.126 5.010 -4.013 1.00 0.00 C ATOM 0 H VAL A 34 4.767 1.618 -2.973 1.00 0.00 H new ATOM 0 HA VAL A 34 3.524 4.017 -2.432 1.00 0.00 H new ATOM 0 HB VAL A 34 5.626 4.493 -2.012 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.518 3.091 -2.794 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.161 2.112 -2.186 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.420 2.283 -3.939 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.163 5.256 -3.784 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.068 4.574 -5.010 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.521 5.916 -3.978 1.00 0.00 H new ATOM 557 N HIS A 35 3.953 3.453 -5.647 1.00 0.00 N ATOM 558 CA HIS A 35 3.526 3.832 -6.986 1.00 0.00 C ATOM 559 C HIS A 35 2.014 3.669 -7.146 1.00 0.00 C ATOM 560 O HIS A 35 1.357 4.537 -7.713 1.00 0.00 O ATOM 561 CB HIS A 35 4.260 2.999 -8.037 1.00 0.00 C ATOM 562 CG HIS A 35 3.969 3.412 -9.448 1.00 0.00 C ATOM 563 ND1 HIS A 35 4.576 4.490 -10.053 1.00 0.00 N ATOM 564 CD2 HIS A 35 3.129 2.888 -10.374 1.00 0.00 C ATOM 565 CE1 HIS A 35 4.121 4.615 -11.285 1.00 0.00 C ATOM 566 NE2 HIS A 35 3.243 3.655 -11.506 1.00 0.00 N ATOM 0 H HIS A 35 4.510 2.599 -5.611 1.00 0.00 H new ATOM 0 HA HIS A 35 3.774 4.883 -7.133 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.333 3.073 -7.861 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.988 1.951 -7.912 1.00 0.00 H new ATOM 0 HD2 HIS A 35 2.489 2.027 -10.245 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.417 5.375 -11.993 1.00 0.00 H new ATOM 0 HE2 HIS A 35 2.732 3.507 -12.376 1.00 0.00 H new ATOM 575 N ILE A 36 1.471 2.554 -6.650 1.00 0.00 N ATOM 576 CA ILE A 36 0.039 2.278 -6.760 1.00 0.00 C ATOM 577 C ILE A 36 -0.781 3.418 -6.175 1.00 0.00 C ATOM 578 O ILE A 36 -1.625 3.987 -6.858 1.00 0.00 O ATOM 579 CB ILE A 36 -0.393 0.955 -6.072 1.00 0.00 C ATOM 580 CG1 ILE A 36 0.358 -0.239 -6.667 1.00 0.00 C ATOM 581 CG2 ILE A 36 -1.899 0.759 -6.224 1.00 0.00 C ATOM 582 CD1 ILE A 36 -0.143 -1.590 -6.193 1.00 0.00 C ATOM 0 H ILE A 36 2.003 1.829 -6.169 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.152 2.176 -7.828 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.145 1.019 -5.012 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.281 -0.197 -7.753 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.415 -0.149 -6.418 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.196 -0.171 -5.739 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.423 1.594 -5.759 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.155 0.714 -7.283 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.443 -2.380 -6.662 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.040 -1.657 -5.110 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.192 -1.705 -6.466 1.00 0.00 H new ATOM 594 N ILE A 37 -0.515 3.768 -4.920 1.00 0.00 N ATOM 595 CA ILE A 37 -1.298 4.800 -4.254 1.00 0.00 C ATOM 596 C ILE A 37 -1.187 6.130 -4.993 1.00 0.00 C ATOM 597 O ILE A 37 -2.198 6.728 -5.353 1.00 0.00 O ATOM 598 CB ILE A 37 -0.890 5.013 -2.785 1.00 0.00 C ATOM 599 CG1 ILE A 37 -0.976 3.709 -1.996 1.00 0.00 C ATOM 600 CG2 ILE A 37 -1.804 6.049 -2.164 1.00 0.00 C ATOM 601 CD1 ILE A 37 0.356 3.207 -1.505 1.00 0.00 C ATOM 0 H ILE A 37 0.226 3.358 -4.352 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.328 4.445 -4.269 1.00 0.00 H new ATOM 0 HB ILE A 37 0.144 5.358 -2.754 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.636 3.855 -1.141 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.433 2.944 -2.624 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.522 6.206 -1.123 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.714 6.988 -2.710 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.835 5.700 -2.212 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.214 2.278 -0.954 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.013 3.027 -2.356 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.807 3.952 -0.850 1.00 0.00 H new ATOM 613 N GLN A 38 0.043 6.572 -5.230 1.00 0.00 N ATOM 614 CA GLN A 38 0.295 7.828 -5.942 1.00 0.00 C ATOM 615 C GLN A 38 -0.383 7.844 -7.312 1.00 0.00 C ATOM 616 O GLN A 38 -0.778 8.899 -7.809 1.00 0.00 O ATOM 617 CB GLN A 38 1.801 8.054 -6.121 1.00 0.00 C ATOM 618 CG GLN A 38 2.544 8.377 -4.829 1.00 0.00 C ATOM 619 CD GLN A 38 3.511 9.534 -4.999 1.00 0.00 C ATOM 620 OE1 GLN A 38 3.298 10.422 -5.821 1.00 0.00 O ATOM 621 NE2 GLN A 38 4.580 9.536 -4.223 1.00 0.00 N ATOM 0 H GLN A 38 0.888 6.079 -4.939 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.126 8.631 -5.337 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.240 7.161 -6.566 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.953 8.870 -6.828 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.823 8.620 -4.048 1.00 0.00 H new ATOM 0 HG3 GLN A 38 3.090 7.495 -4.496 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.724 8.782 -3.552 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.261 10.292 -4.295 1.00 0.00 H new ATOM 630 N SER A 39 -0.507 6.675 -7.918 1.00 0.00 N ATOM 631 CA SER A 39 -1.112 6.556 -9.232 1.00 0.00 C ATOM 632 C SER A 39 -2.641 6.567 -9.153 1.00 0.00 C ATOM 633 O SER A 39 -3.306 7.053 -10.070 1.00 0.00 O ATOM 634 CB SER A 39 -0.623 5.276 -9.914 1.00 0.00 C ATOM 635 OG SER A 39 -1.172 5.127 -11.213 1.00 0.00 O ATOM 0 H SER A 39 -0.194 5.791 -7.517 1.00 0.00 H new ATOM 0 HA SER A 39 -0.809 7.420 -9.823 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.465 5.292 -9.979 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.893 4.414 -9.304 1.00 0.00 H new ATOM 0 HG SER A 39 -0.836 4.300 -11.617 1.00 0.00 H new ATOM 641 N ARG A 40 -3.209 6.056 -8.063 1.00 0.00 N ATOM 642 CA ARG A 40 -4.657 5.967 -7.963 1.00 0.00 C ATOM 643 C ARG A 40 -5.209 7.235 -7.340 1.00 0.00 C ATOM 644 O ARG A 40 -6.301 7.693 -7.680 1.00 0.00 O ATOM 645 CB ARG A 40 -5.084 4.756 -7.129 1.00 0.00 C ATOM 646 CG ARG A 40 -4.457 3.442 -7.576 1.00 0.00 C ATOM 647 CD ARG A 40 -5.323 2.260 -7.215 1.00 0.00 C ATOM 648 NE ARG A 40 -6.587 2.257 -7.948 1.00 0.00 N ATOM 649 CZ ARG A 40 -7.259 1.152 -8.274 1.00 0.00 C ATOM 650 NH1 ARG A 40 -6.802 -0.040 -7.912 1.00 0.00 N ATOM 651 NH2 ARG A 40 -8.386 1.244 -8.964 1.00 0.00 N ATOM 0 H ARG A 40 -2.698 5.705 -7.253 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.058 5.846 -8.969 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.822 4.935 -6.086 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.169 4.662 -7.173 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.299 3.462 -8.654 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.477 3.330 -7.113 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.781 1.338 -7.425 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.526 2.274 -6.144 1.00 0.00 H new ATOM 0 HE ARG A 40 -6.980 3.156 -8.228 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.934 -0.114 -7.382 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.319 -0.882 -8.163 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.739 2.159 -9.245 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.901 0.400 -9.214 1.00 0.00 H new ATOM 665 N GLU A 41 -4.443 7.786 -6.413 1.00 0.00 N ATOM 666 CA GLU A 41 -4.860 8.937 -5.642 1.00 0.00 C ATOM 667 C GLU A 41 -4.081 10.196 -6.012 1.00 0.00 C ATOM 668 O GLU A 41 -2.967 10.411 -5.531 1.00 0.00 O ATOM 669 CB GLU A 41 -4.650 8.581 -4.200 1.00 0.00 C ATOM 670 CG GLU A 41 -5.102 7.179 -3.961 1.00 0.00 C ATOM 671 CD GLU A 41 -6.557 7.076 -3.555 1.00 0.00 C ATOM 672 OE1 GLU A 41 -7.320 8.044 -3.785 1.00 0.00 O ATOM 673 OE2 GLU A 41 -6.955 6.025 -3.031 1.00 0.00 O ATOM 0 H GLU A 41 -3.512 7.444 -6.176 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.905 9.168 -5.849 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.597 8.684 -3.939 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.205 9.267 -3.561 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.943 6.595 -4.867 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.483 6.734 -3.182 1.00 0.00 H new ATOM 680 N PRO A 42 -4.659 11.052 -6.870 1.00 0.00 N ATOM 681 CA PRO A 42 -4.033 12.315 -7.276 1.00 0.00 C ATOM 682 C PRO A 42 -3.863 13.294 -6.113 1.00 0.00 C ATOM 683 O PRO A 42 -3.148 14.284 -6.229 1.00 0.00 O ATOM 684 CB PRO A 42 -5.006 12.900 -8.305 1.00 0.00 C ATOM 685 CG PRO A 42 -5.880 11.768 -8.718 1.00 0.00 C ATOM 686 CD PRO A 42 -5.955 10.845 -7.539 1.00 0.00 C ATOM 0 HA PRO A 42 -3.028 12.145 -7.662 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.593 13.711 -7.873 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.471 13.314 -9.160 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.872 12.124 -8.997 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -5.468 11.256 -9.588 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -6.791 11.094 -6.885 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -6.089 9.808 -7.847 1.00 0.00 H new ATOM 694 N SER A 43 -4.502 13.003 -4.989 1.00 0.00 N ATOM 695 CA SER A 43 -4.467 13.913 -3.839 1.00 0.00 C ATOM 696 C SER A 43 -3.141 13.797 -3.083 1.00 0.00 C ATOM 697 O SER A 43 -2.863 14.593 -2.186 1.00 0.00 O ATOM 698 CB SER A 43 -5.655 13.672 -2.878 1.00 0.00 C ATOM 699 OG SER A 43 -5.508 14.407 -1.673 1.00 0.00 O ATOM 0 H SER A 43 -5.048 12.154 -4.843 1.00 0.00 H new ATOM 0 HA SER A 43 -4.555 14.926 -4.233 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.585 13.959 -3.369 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.730 12.609 -2.650 1.00 0.00 H new ATOM 0 HG SER A 43 -4.557 14.568 -1.502 1.00 0.00 H new ATOM 705 N LEU A 44 -2.313 12.827 -3.450 1.00 0.00 N ATOM 706 CA LEU A 44 -1.046 12.631 -2.758 1.00 0.00 C ATOM 707 C LEU A 44 0.101 12.384 -3.730 1.00 0.00 C ATOM 708 O LEU A 44 1.139 11.846 -3.346 1.00 0.00 O ATOM 709 CB LEU A 44 -1.158 11.483 -1.743 1.00 0.00 C ATOM 710 CG LEU A 44 -1.616 10.127 -2.289 1.00 0.00 C ATOM 711 CD1 LEU A 44 -0.420 9.245 -2.608 1.00 0.00 C ATOM 712 CD2 LEU A 44 -2.540 9.450 -1.288 1.00 0.00 C ATOM 0 H LEU A 44 -2.492 12.173 -4.212 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.820 13.552 -2.220 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.185 11.349 -1.271 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.853 11.787 -0.960 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.167 10.288 -3.216 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.767 8.287 -2.994 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.203 9.734 -3.357 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.163 9.081 -1.702 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.861 8.486 -1.683 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.009 9.298 -0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.412 10.080 -1.114 1.00 0.00 H new ATOM 724 N LYS A 45 -0.057 12.815 -4.977 1.00 0.00 N ATOM 725 CA LYS A 45 0.965 12.542 -5.982 1.00 0.00 C ATOM 726 C LYS A 45 2.100 13.573 -5.928 1.00 0.00 C ATOM 727 O LYS A 45 3.087 13.460 -6.654 1.00 0.00 O ATOM 728 CB LYS A 45 0.357 12.417 -7.399 1.00 0.00 C ATOM 729 CG LYS A 45 0.497 13.633 -8.313 1.00 0.00 C ATOM 730 CD LYS A 45 -0.680 14.575 -8.205 1.00 0.00 C ATOM 731 CE LYS A 45 -0.414 15.610 -7.144 1.00 0.00 C ATOM 732 NZ LYS A 45 -1.621 16.410 -6.814 1.00 0.00 N ATOM 0 H LYS A 45 -0.863 13.343 -5.311 1.00 0.00 H new ATOM 0 HA LYS A 45 1.405 11.574 -5.743 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.820 11.563 -7.894 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.704 12.189 -7.296 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.412 14.169 -8.062 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.597 13.298 -9.345 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.856 15.062 -9.164 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.583 14.016 -7.961 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.052 15.116 -6.242 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.379 16.277 -7.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.446 16.961 -5.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.834 17.057 -7.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.429 15.773 -6.661 1.00 0.00 H new ATOM 746 N ASN A 46 1.976 14.563 -5.040 1.00 0.00 N ATOM 747 CA ASN A 46 3.040 15.548 -4.845 1.00 0.00 C ATOM 748 C ASN A 46 4.024 15.058 -3.795 1.00 0.00 C ATOM 749 O ASN A 46 5.081 15.655 -3.596 1.00 0.00 O ATOM 750 CB ASN A 46 2.483 16.910 -4.412 1.00 0.00 C ATOM 751 CG ASN A 46 1.778 17.652 -5.528 1.00 0.00 C ATOM 752 OD1 ASN A 46 2.091 17.475 -6.706 1.00 0.00 O ATOM 753 ND2 ASN A 46 0.822 18.493 -5.164 1.00 0.00 N ATOM 0 H ASN A 46 1.156 14.702 -4.450 1.00 0.00 H new ATOM 0 HA ASN A 46 3.545 15.671 -5.803 1.00 0.00 H new ATOM 0 HB2 ASN A 46 1.787 16.764 -3.586 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.300 17.526 -4.035 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.313 19.024 -5.871 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.594 18.610 -4.177 1.00 0.00 H new ATOM 760 N SER A 47 3.662 13.976 -3.121 1.00 0.00 N ATOM 761 CA SER A 47 4.493 13.413 -2.070 1.00 0.00 C ATOM 762 C SER A 47 5.813 12.906 -2.651 1.00 0.00 C ATOM 763 O SER A 47 5.814 12.227 -3.686 1.00 0.00 O ATOM 764 CB SER A 47 3.744 12.265 -1.385 1.00 0.00 C ATOM 765 OG SER A 47 2.431 12.658 -1.022 1.00 0.00 O ATOM 0 H SER A 47 2.793 13.469 -3.286 1.00 0.00 H new ATOM 0 HA SER A 47 4.713 14.188 -1.336 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.698 11.406 -2.054 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.291 11.948 -0.497 1.00 0.00 H new ATOM 0 HG SER A 47 1.809 12.428 -1.744 1.00 0.00 H new ATOM 771 N ASN A 48 6.929 13.246 -2.000 1.00 0.00 N ATOM 772 CA ASN A 48 8.244 12.779 -2.438 1.00 0.00 C ATOM 773 C ASN A 48 8.227 11.263 -2.506 1.00 0.00 C ATOM 774 O ASN A 48 7.862 10.602 -1.534 1.00 0.00 O ATOM 775 CB ASN A 48 9.351 13.218 -1.467 1.00 0.00 C ATOM 776 CG ASN A 48 9.389 14.709 -1.213 1.00 0.00 C ATOM 777 OD1 ASN A 48 9.060 15.515 -2.083 1.00 0.00 O ATOM 778 ND2 ASN A 48 9.791 15.087 -0.010 1.00 0.00 N ATOM 0 H ASN A 48 6.947 13.841 -1.171 1.00 0.00 H new ATOM 0 HA ASN A 48 8.453 13.213 -3.416 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.213 12.701 -0.517 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.316 12.903 -1.865 1.00 0.00 H new ATOM 0 HD21 ASN A 48 9.837 16.079 0.224 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.055 14.387 0.683 1.00 0.00 H new ATOM 785 N PRO A 49 8.621 10.686 -3.650 1.00 0.00 N ATOM 786 CA PRO A 49 8.520 9.243 -3.877 1.00 0.00 C ATOM 787 C PRO A 49 9.332 8.428 -2.877 1.00 0.00 C ATOM 788 O PRO A 49 9.057 7.252 -2.671 1.00 0.00 O ATOM 789 CB PRO A 49 9.051 9.044 -5.299 1.00 0.00 C ATOM 790 CG PRO A 49 9.820 10.283 -5.615 1.00 0.00 C ATOM 791 CD PRO A 49 9.192 11.389 -4.812 1.00 0.00 C ATOM 0 HA PRO A 49 7.495 8.896 -3.750 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.687 8.161 -5.360 1.00 0.00 H new ATOM 0 HB3 PRO A 49 8.234 8.898 -6.006 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.872 10.164 -5.356 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.778 10.505 -6.681 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.928 12.134 -4.509 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.424 11.913 -5.382 1.00 0.00 H new ATOM 799 N ASP A 50 10.305 9.062 -2.236 1.00 0.00 N ATOM 800 CA ASP A 50 11.136 8.383 -1.250 1.00 0.00 C ATOM 801 C ASP A 50 10.439 8.340 0.112 1.00 0.00 C ATOM 802 O ASP A 50 10.581 7.375 0.862 1.00 0.00 O ATOM 803 CB ASP A 50 12.500 9.075 -1.116 1.00 0.00 C ATOM 804 CG ASP A 50 13.187 9.296 -2.449 1.00 0.00 C ATOM 805 OD1 ASP A 50 13.688 8.322 -3.038 1.00 0.00 O ATOM 806 OD2 ASP A 50 13.223 10.456 -2.918 1.00 0.00 O ATOM 0 H ASP A 50 10.538 10.044 -2.381 1.00 0.00 H new ATOM 0 HA ASP A 50 11.294 7.361 -1.596 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.366 10.036 -0.619 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.145 8.473 -0.477 1.00 0.00 H new ATOM 811 N GLU A 51 9.635 9.364 0.389 1.00 0.00 N ATOM 812 CA GLU A 51 8.985 9.542 1.687 1.00 0.00 C ATOM 813 C GLU A 51 7.519 9.890 1.474 1.00 0.00 C ATOM 814 O GLU A 51 7.055 10.960 1.868 1.00 0.00 O ATOM 815 CB GLU A 51 9.665 10.668 2.477 1.00 0.00 C ATOM 816 CG GLU A 51 10.756 10.190 3.413 1.00 0.00 C ATOM 817 CD GLU A 51 11.468 11.333 4.102 1.00 0.00 C ATOM 818 OE1 GLU A 51 10.787 12.270 4.571 1.00 0.00 O ATOM 819 OE2 GLU A 51 12.714 11.297 4.186 1.00 0.00 O ATOM 0 H GLU A 51 9.414 10.098 -0.284 1.00 0.00 H new ATOM 0 HA GLU A 51 9.069 8.614 2.253 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.091 11.385 1.775 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.910 11.199 3.056 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.323 9.530 4.164 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.480 9.601 2.851 1.00 0.00 H new ATOM 826 N ILE A 52 6.793 8.981 0.846 1.00 0.00 N ATOM 827 CA ILE A 52 5.454 9.280 0.371 1.00 0.00 C ATOM 828 C ILE A 52 4.459 9.403 1.523 1.00 0.00 C ATOM 829 O ILE A 52 4.673 8.850 2.604 1.00 0.00 O ATOM 830 CB ILE A 52 4.970 8.220 -0.638 1.00 0.00 C ATOM 831 CG1 ILE A 52 4.482 6.979 0.072 1.00 0.00 C ATOM 832 CG2 ILE A 52 6.097 7.836 -1.577 1.00 0.00 C ATOM 833 CD1 ILE A 52 3.621 6.110 -0.807 1.00 0.00 C ATOM 0 H ILE A 52 7.109 8.030 0.653 1.00 0.00 H new ATOM 0 HA ILE A 52 5.505 10.244 -0.135 1.00 0.00 H new ATOM 0 HB ILE A 52 4.146 8.654 -1.205 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.339 6.402 0.419 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.915 7.270 0.956 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.742 7.087 -2.284 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.434 8.718 -2.121 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.927 7.427 -1.001 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.298 5.233 -0.247 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.747 6.674 -1.133 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.194 5.793 -1.679 1.00 0.00 H new ATOM 845 N GLU A 53 3.384 10.142 1.283 1.00 0.00 N ATOM 846 CA GLU A 53 2.375 10.383 2.298 1.00 0.00 C ATOM 847 C GLU A 53 1.068 9.696 1.927 1.00 0.00 C ATOM 848 O GLU A 53 0.367 10.124 1.011 1.00 0.00 O ATOM 849 CB GLU A 53 2.142 11.886 2.454 1.00 0.00 C ATOM 850 CG GLU A 53 1.273 12.245 3.645 1.00 0.00 C ATOM 851 CD GLU A 53 1.955 13.224 4.576 1.00 0.00 C ATOM 852 OE1 GLU A 53 3.121 12.978 4.952 1.00 0.00 O ATOM 853 OE2 GLU A 53 1.334 14.247 4.929 1.00 0.00 O ATOM 0 H GLU A 53 3.190 10.587 0.386 1.00 0.00 H new ATOM 0 HA GLU A 53 2.730 9.972 3.243 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.105 12.386 2.554 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.676 12.269 1.546 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.335 12.675 3.292 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.021 11.338 4.195 1.00 0.00 H new ATOM 860 N ILE A 54 0.748 8.630 2.637 1.00 0.00 N ATOM 861 CA ILE A 54 -0.491 7.899 2.400 1.00 0.00 C ATOM 862 C ILE A 54 -1.498 8.216 3.492 1.00 0.00 C ATOM 863 O ILE A 54 -1.152 8.206 4.672 1.00 0.00 O ATOM 864 CB ILE A 54 -0.256 6.378 2.376 1.00 0.00 C ATOM 865 CG1 ILE A 54 0.761 5.999 1.307 1.00 0.00 C ATOM 866 CG2 ILE A 54 -1.563 5.653 2.122 1.00 0.00 C ATOM 867 CD1 ILE A 54 1.224 4.567 1.418 1.00 0.00 C ATOM 0 H ILE A 54 1.327 8.248 3.384 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.872 8.211 1.428 1.00 0.00 H new ATOM 0 HB ILE A 54 0.139 6.081 3.347 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.322 6.158 0.322 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.623 6.661 1.382 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.386 4.578 2.107 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.272 5.893 2.914 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.972 5.967 1.162 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.947 4.356 0.630 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.691 4.410 2.390 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.369 3.899 1.314 1.00 0.00 H new ATOM 879 N ASP A 55 -2.738 8.490 3.108 1.00 0.00 N ATOM 880 CA ASP A 55 -3.775 8.779 4.089 1.00 0.00 C ATOM 881 C ASP A 55 -4.861 7.717 4.000 1.00 0.00 C ATOM 882 O ASP A 55 -5.804 7.842 3.222 1.00 0.00 O ATOM 883 CB ASP A 55 -4.376 10.165 3.863 1.00 0.00 C ATOM 884 CG ASP A 55 -5.202 10.615 5.044 1.00 0.00 C ATOM 885 OD1 ASP A 55 -4.688 10.583 6.179 1.00 0.00 O ATOM 886 OD2 ASP A 55 -6.365 11.008 4.843 1.00 0.00 O ATOM 0 H ASP A 55 -3.048 8.518 2.137 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.328 8.767 5.083 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.576 10.884 3.683 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.998 10.150 2.968 1.00 0.00 H new ATOM 891 N PHE A 56 -4.730 6.682 4.812 1.00 0.00 N ATOM 892 CA PHE A 56 -5.519 5.467 4.655 1.00 0.00 C ATOM 893 C PHE A 56 -7.023 5.680 4.816 1.00 0.00 C ATOM 894 O PHE A 56 -7.817 4.856 4.363 1.00 0.00 O ATOM 895 CB PHE A 56 -5.012 4.392 5.609 1.00 0.00 C ATOM 896 CG PHE A 56 -4.146 3.388 4.911 1.00 0.00 C ATOM 897 CD1 PHE A 56 -2.792 3.611 4.722 1.00 0.00 C ATOM 898 CD2 PHE A 56 -4.700 2.230 4.414 1.00 0.00 C ATOM 899 CE1 PHE A 56 -2.015 2.688 4.046 1.00 0.00 C ATOM 900 CE2 PHE A 56 -3.934 1.308 3.744 1.00 0.00 C ATOM 901 CZ PHE A 56 -2.591 1.531 3.558 1.00 0.00 C ATOM 0 H PHE A 56 -4.078 6.657 5.596 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.383 5.138 3.625 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.448 4.860 6.416 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.861 3.884 6.067 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.339 4.513 5.106 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -5.755 2.043 4.553 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.961 2.871 3.900 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.388 0.406 3.362 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.988 0.805 3.033 1.00 0.00 H new ATOM 911 N GLU A 57 -7.423 6.781 5.430 1.00 0.00 N ATOM 912 CA GLU A 57 -8.841 7.069 5.607 1.00 0.00 C ATOM 913 C GLU A 57 -9.448 7.758 4.395 1.00 0.00 C ATOM 914 O GLU A 57 -10.665 7.921 4.313 1.00 0.00 O ATOM 915 CB GLU A 57 -9.055 7.915 6.853 1.00 0.00 C ATOM 916 CG GLU A 57 -8.930 7.121 8.134 1.00 0.00 C ATOM 917 CD GLU A 57 -10.093 6.170 8.318 1.00 0.00 C ATOM 918 OE1 GLU A 57 -10.051 5.056 7.764 1.00 0.00 O ATOM 919 OE2 GLU A 57 -11.071 6.545 9.000 1.00 0.00 O ATOM 0 H GLU A 57 -6.793 7.487 5.812 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.351 6.113 5.724 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.329 8.728 6.863 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -10.044 8.372 6.810 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.997 6.557 8.123 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.880 7.804 8.982 1.00 0.00 H new ATOM 926 N THR A 58 -8.616 8.153 3.448 1.00 0.00 N ATOM 927 CA THR A 58 -9.111 8.860 2.278 1.00 0.00 C ATOM 928 C THR A 58 -8.836 8.101 0.988 1.00 0.00 C ATOM 929 O THR A 58 -9.316 8.490 -0.078 1.00 0.00 O ATOM 930 CB THR A 58 -8.523 10.276 2.192 1.00 0.00 C ATOM 931 OG1 THR A 58 -7.094 10.220 2.202 1.00 0.00 O ATOM 932 CG2 THR A 58 -9.001 11.101 3.367 1.00 0.00 C ATOM 0 H THR A 58 -7.608 8.000 3.463 1.00 0.00 H new ATOM 0 HA THR A 58 -10.192 8.935 2.396 1.00 0.00 H new ATOM 0 HB THR A 58 -8.856 10.737 1.262 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.804 9.327 2.483 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.581 12.105 3.302 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.089 11.161 3.351 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.677 10.632 4.296 1.00 0.00 H new ATOM 940 N LEU A 59 -8.080 7.012 1.080 1.00 0.00 N ATOM 941 CA LEU A 59 -7.818 6.183 -0.095 1.00 0.00 C ATOM 942 C LEU A 59 -9.112 5.527 -0.553 1.00 0.00 C ATOM 943 O LEU A 59 -10.001 5.240 0.257 1.00 0.00 O ATOM 944 CB LEU A 59 -6.787 5.078 0.180 1.00 0.00 C ATOM 945 CG LEU A 59 -5.606 5.458 1.072 1.00 0.00 C ATOM 946 CD1 LEU A 59 -4.640 4.287 1.198 1.00 0.00 C ATOM 947 CD2 LEU A 59 -4.900 6.701 0.542 1.00 0.00 C ATOM 0 H LEU A 59 -7.643 6.685 1.941 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.413 6.841 -0.864 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.304 4.235 0.638 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.395 4.731 -0.776 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.986 5.695 2.066 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.804 4.572 1.836 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.157 3.434 1.637 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.267 4.015 0.211 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.063 6.950 1.195 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.530 6.508 -0.465 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.601 7.535 0.517 1.00 0.00 H new ATOM 959 N LYS A 60 -9.214 5.308 -1.847 1.00 0.00 N ATOM 960 CA LYS A 60 -10.342 4.601 -2.425 1.00 0.00 C ATOM 961 C LYS A 60 -10.328 3.143 -1.969 1.00 0.00 C ATOM 962 O LYS A 60 -9.261 2.563 -1.755 1.00 0.00 O ATOM 963 CB LYS A 60 -10.257 4.662 -3.952 1.00 0.00 C ATOM 964 CG LYS A 60 -10.146 6.069 -4.513 1.00 0.00 C ATOM 965 CD LYS A 60 -10.053 6.057 -6.027 1.00 0.00 C ATOM 966 CE LYS A 60 -9.920 7.462 -6.585 1.00 0.00 C ATOM 967 NZ LYS A 60 -8.645 8.117 -6.183 1.00 0.00 N ATOM 0 H LYS A 60 -8.520 5.614 -2.529 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.268 5.071 -2.094 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.394 4.083 -4.280 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.141 4.183 -4.373 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.013 6.654 -4.205 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.266 6.560 -4.097 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.196 5.459 -6.336 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.941 5.581 -6.444 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.978 7.424 -7.673 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.759 8.067 -6.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.725 9.145 -6.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.450 7.913 -5.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.867 7.751 -6.768 1.00 0.00 H new ATOM 981 N PRO A 61 -11.516 2.535 -1.805 1.00 0.00 N ATOM 982 CA PRO A 61 -11.632 1.123 -1.428 1.00 0.00 C ATOM 983 C PRO A 61 -10.930 0.212 -2.429 1.00 0.00 C ATOM 984 O PRO A 61 -10.419 -0.851 -2.069 1.00 0.00 O ATOM 985 CB PRO A 61 -13.141 0.854 -1.436 1.00 0.00 C ATOM 986 CG PRO A 61 -13.795 2.195 -1.364 1.00 0.00 C ATOM 987 CD PRO A 61 -12.830 3.183 -1.962 1.00 0.00 C ATOM 0 HA PRO A 61 -11.165 0.923 -0.464 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.438 0.322 -2.340 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -13.432 0.232 -0.590 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.737 2.195 -1.912 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -14.026 2.457 -0.332 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -13.056 3.378 -3.010 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.867 4.141 -1.444 1.00 0.00 H new ATOM 995 N SER A 62 -10.900 0.644 -3.683 1.00 0.00 N ATOM 996 CA SER A 62 -10.225 -0.099 -4.731 1.00 0.00 C ATOM 997 C SER A 62 -8.714 0.022 -4.584 1.00 0.00 C ATOM 998 O SER A 62 -7.980 -0.926 -4.860 1.00 0.00 O ATOM 999 CB SER A 62 -10.684 0.397 -6.103 1.00 0.00 C ATOM 1000 OG SER A 62 -10.747 1.816 -6.139 1.00 0.00 O ATOM 0 H SER A 62 -11.339 1.510 -3.997 1.00 0.00 H new ATOM 0 HA SER A 62 -10.486 -1.153 -4.641 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.997 0.041 -6.870 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.664 -0.020 -6.335 1.00 0.00 H new ATOM 0 HG SER A 62 -11.041 2.108 -7.027 1.00 0.00 H new ATOM 1006 N THR A 63 -8.257 1.186 -4.133 1.00 0.00 N ATOM 1007 CA THR A 63 -6.849 1.387 -3.834 1.00 0.00 C ATOM 1008 C THR A 63 -6.436 0.432 -2.724 1.00 0.00 C ATOM 1009 O THR A 63 -5.475 -0.312 -2.866 1.00 0.00 O ATOM 1010 CB THR A 63 -6.549 2.843 -3.403 1.00 0.00 C ATOM 1011 OG1 THR A 63 -7.343 3.746 -4.177 1.00 0.00 O ATOM 1012 CG2 THR A 63 -5.083 3.185 -3.612 1.00 0.00 C ATOM 0 H THR A 63 -8.844 2.003 -3.967 1.00 0.00 H new ATOM 0 HA THR A 63 -6.279 1.189 -4.742 1.00 0.00 H new ATOM 0 HB THR A 63 -6.788 2.936 -2.344 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.009 4.660 -4.058 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.901 4.214 -3.301 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.464 2.512 -3.019 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.831 3.075 -4.667 1.00 0.00 H new ATOM 1020 N LEU A 64 -7.213 0.423 -1.643 1.00 0.00 N ATOM 1021 CA LEU A 64 -6.948 -0.452 -0.502 1.00 0.00 C ATOM 1022 C LEU A 64 -6.917 -1.919 -0.913 1.00 0.00 C ATOM 1023 O LEU A 64 -6.025 -2.660 -0.513 1.00 0.00 O ATOM 1024 CB LEU A 64 -8.006 -0.244 0.585 1.00 0.00 C ATOM 1025 CG LEU A 64 -7.961 1.112 1.290 1.00 0.00 C ATOM 1026 CD1 LEU A 64 -9.140 1.279 2.238 1.00 0.00 C ATOM 1027 CD2 LEU A 64 -6.667 1.260 2.055 1.00 0.00 C ATOM 0 H LEU A 64 -8.036 1.015 -1.533 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.966 -0.189 -0.110 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.992 -0.370 0.138 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.893 -1.028 1.334 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.021 1.888 0.527 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.081 2.253 2.725 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.071 1.210 1.676 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.114 0.494 2.993 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.647 2.230 2.552 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.592 0.468 2.800 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.826 1.189 1.365 1.00 0.00 H new ATOM 1039 N ARG A 65 -7.869 -2.331 -1.736 1.00 0.00 N ATOM 1040 CA ARG A 65 -7.957 -3.727 -2.148 1.00 0.00 C ATOM 1041 C ARG A 65 -6.885 -4.048 -3.183 1.00 0.00 C ATOM 1042 O ARG A 65 -6.613 -5.211 -3.461 1.00 0.00 O ATOM 1043 CB ARG A 65 -9.359 -4.057 -2.685 1.00 0.00 C ATOM 1044 CG ARG A 65 -10.275 -4.763 -1.679 1.00 0.00 C ATOM 1045 CD ARG A 65 -9.699 -6.077 -1.154 1.00 0.00 C ATOM 1046 NE ARG A 65 -10.702 -6.807 -0.372 1.00 0.00 N ATOM 1047 CZ ARG A 65 -10.549 -8.047 0.097 1.00 0.00 C ATOM 1048 NH1 ARG A 65 -9.385 -8.669 -0.003 1.00 0.00 N ATOM 1049 NH2 ARG A 65 -11.559 -8.648 0.714 1.00 0.00 N ATOM 0 H ARG A 65 -8.588 -1.725 -2.131 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.783 -4.352 -1.272 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.838 -3.132 -3.007 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -9.257 -4.687 -3.569 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -10.462 -4.095 -0.838 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -11.238 -4.959 -2.151 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -9.363 -6.692 -1.989 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.825 -5.875 -0.535 1.00 0.00 H new ATOM 0 HE ARG A 65 -11.582 -6.332 -0.172 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -8.593 -8.201 -0.442 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -9.280 -9.617 0.359 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -12.449 -8.162 0.828 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -11.446 -9.596 1.074 1.00 0.00 H new ATOM 1063 N GLU A 66 -6.270 -3.010 -3.740 1.00 0.00 N ATOM 1064 CA GLU A 66 -5.153 -3.184 -4.648 1.00 0.00 C ATOM 1065 C GLU A 66 -3.858 -3.278 -3.854 1.00 0.00 C ATOM 1066 O GLU A 66 -3.007 -4.120 -4.127 1.00 0.00 O ATOM 1067 CB GLU A 66 -5.099 -2.017 -5.635 1.00 0.00 C ATOM 1068 CG GLU A 66 -3.894 -2.028 -6.560 1.00 0.00 C ATOM 1069 CD GLU A 66 -3.943 -3.143 -7.580 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -3.450 -4.252 -7.295 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -4.466 -2.907 -8.688 1.00 0.00 O ATOM 0 H GLU A 66 -6.531 -2.038 -3.575 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.283 -4.107 -5.213 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.006 -2.028 -6.240 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.101 -1.083 -5.074 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.832 -1.071 -7.078 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.986 -2.127 -5.964 1.00 0.00 H new ATOM 1078 N LEU A 67 -3.742 -2.426 -2.844 1.00 0.00 N ATOM 1079 CA LEU A 67 -2.570 -2.392 -1.994 1.00 0.00 C ATOM 1080 C LEU A 67 -2.487 -3.694 -1.211 1.00 0.00 C ATOM 1081 O LEU A 67 -1.451 -4.354 -1.174 1.00 0.00 O ATOM 1082 CB LEU A 67 -2.678 -1.201 -1.031 1.00 0.00 C ATOM 1083 CG LEU A 67 -2.935 0.151 -1.699 1.00 0.00 C ATOM 1084 CD1 LEU A 67 -3.056 1.251 -0.656 1.00 0.00 C ATOM 1085 CD2 LEU A 67 -1.840 0.477 -2.691 1.00 0.00 C ATOM 0 H LEU A 67 -4.458 -1.743 -2.595 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.670 -2.279 -2.599 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.483 -1.398 -0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.755 -1.135 -0.455 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.878 0.087 -2.241 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.239 2.204 -1.152 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.885 1.026 0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.131 1.312 -0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.044 1.443 -3.154 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.881 0.517 -2.174 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.805 -0.294 -3.461 1.00 0.00 H new ATOM 1097 N GLU A 68 -3.620 -4.068 -0.631 1.00 0.00 N ATOM 1098 CA GLU A 68 -3.714 -5.254 0.207 1.00 0.00 C ATOM 1099 C GLU A 68 -3.520 -6.529 -0.603 1.00 0.00 C ATOM 1100 O GLU A 68 -2.669 -7.353 -0.269 1.00 0.00 O ATOM 1101 CB GLU A 68 -5.066 -5.280 0.921 1.00 0.00 C ATOM 1102 CG GLU A 68 -5.287 -6.494 1.801 1.00 0.00 C ATOM 1103 CD GLU A 68 -5.948 -7.644 1.073 1.00 0.00 C ATOM 1104 OE1 GLU A 68 -7.042 -7.443 0.510 1.00 0.00 O ATOM 1105 OE2 GLU A 68 -5.381 -8.753 1.066 1.00 0.00 O ATOM 0 H GLU A 68 -4.498 -3.558 -0.729 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.915 -5.209 0.947 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.158 -4.382 1.532 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.858 -5.239 0.174 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.328 -6.827 2.198 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.904 -6.210 2.654 1.00 0.00 H new ATOM 1112 N ARG A 69 -4.318 -6.702 -1.659 1.00 0.00 N ATOM 1113 CA ARG A 69 -4.196 -7.898 -2.506 1.00 0.00 C ATOM 1114 C ARG A 69 -2.767 -8.090 -2.980 1.00 0.00 C ATOM 1115 O ARG A 69 -2.263 -9.211 -3.056 1.00 0.00 O ATOM 1116 CB ARG A 69 -5.106 -7.827 -3.730 1.00 0.00 C ATOM 1117 CG ARG A 69 -4.914 -8.997 -4.688 1.00 0.00 C ATOM 1118 CD ARG A 69 -5.742 -8.804 -5.938 1.00 0.00 C ATOM 1119 NE ARG A 69 -5.332 -7.601 -6.667 1.00 0.00 N ATOM 1120 CZ ARG A 69 -6.120 -6.915 -7.493 1.00 0.00 C ATOM 1121 NH1 ARG A 69 -7.348 -7.343 -7.763 1.00 0.00 N ATOM 1122 NH2 ARG A 69 -5.676 -5.799 -8.057 1.00 0.00 N ATOM 0 H ARG A 69 -5.043 -6.045 -1.947 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.498 -8.742 -1.887 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.145 -7.801 -3.402 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -4.917 -6.895 -4.262 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -3.861 -9.087 -4.954 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.200 -9.927 -4.196 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.639 -9.676 -6.584 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.796 -8.728 -5.671 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.378 -7.266 -6.533 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -7.694 -8.203 -7.337 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -7.945 -6.812 -8.397 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -4.732 -5.467 -7.858 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -6.278 -5.273 -8.690 1.00 0.00 H new ATOM 1136 N TYR A 70 -2.111 -6.990 -3.268 1.00 0.00 N ATOM 1137 CA TYR A 70 -0.777 -7.043 -3.829 1.00 0.00 C ATOM 1138 C TYR A 70 0.233 -7.459 -2.772 1.00 0.00 C ATOM 1139 O TYR A 70 1.100 -8.292 -3.024 1.00 0.00 O ATOM 1140 CB TYR A 70 -0.394 -5.693 -4.432 1.00 0.00 C ATOM 1141 CG TYR A 70 1.078 -5.571 -4.722 1.00 0.00 C ATOM 1142 CD1 TYR A 70 1.645 -6.155 -5.847 1.00 0.00 C ATOM 1143 CD2 TYR A 70 1.902 -4.888 -3.847 1.00 0.00 C ATOM 1144 CE1 TYR A 70 2.999 -6.054 -6.092 1.00 0.00 C ATOM 1145 CE2 TYR A 70 3.256 -4.784 -4.081 1.00 0.00 C ATOM 1146 CZ TYR A 70 3.800 -5.368 -5.205 1.00 0.00 C ATOM 1147 OH TYR A 70 5.152 -5.271 -5.438 1.00 0.00 O ATOM 0 H TYR A 70 -2.476 -6.049 -3.124 1.00 0.00 H new ATOM 0 HA TYR A 70 -0.770 -7.790 -4.623 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.954 -5.543 -5.355 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -0.690 -4.899 -3.747 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.017 -6.696 -6.540 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.478 -4.429 -2.966 1.00 0.00 H new ATOM 0 HE1 TYR A 70 3.428 -6.509 -6.972 1.00 0.00 H new ATOM 0 HE2 TYR A 70 3.887 -4.248 -3.388 1.00 0.00 H new ATOM 0 HH TYR A 70 5.586 -4.838 -4.673 1.00 0.00 H new ATOM 1157 N VAL A 71 0.123 -6.889 -1.588 1.00 0.00 N ATOM 1158 CA VAL A 71 1.047 -7.228 -0.526 1.00 0.00 C ATOM 1159 C VAL A 71 0.795 -8.632 -0.008 1.00 0.00 C ATOM 1160 O VAL A 71 1.732 -9.398 0.172 1.00 0.00 O ATOM 1161 CB VAL A 71 0.987 -6.233 0.638 1.00 0.00 C ATOM 1162 CG1 VAL A 71 1.340 -4.843 0.165 1.00 0.00 C ATOM 1163 CG2 VAL A 71 -0.372 -6.234 1.302 1.00 0.00 C ATOM 0 H VAL A 71 -0.586 -6.199 -1.340 1.00 0.00 H new ATOM 0 HA VAL A 71 2.045 -7.179 -0.961 1.00 0.00 H new ATOM 0 HB VAL A 71 1.720 -6.550 1.380 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.292 -4.150 1.005 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.349 -4.844 -0.247 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.634 -4.530 -0.604 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.377 -5.516 2.123 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.133 -5.956 0.573 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.587 -7.230 1.690 1.00 0.00 H new ATOM 1173 N THR A 72 -0.472 -8.977 0.202 1.00 0.00 N ATOM 1174 CA THR A 72 -0.830 -10.288 0.719 1.00 0.00 C ATOM 1175 C THR A 72 -0.343 -11.379 -0.236 1.00 0.00 C ATOM 1176 O THR A 72 0.026 -12.474 0.191 1.00 0.00 O ATOM 1177 CB THR A 72 -2.354 -10.409 0.967 1.00 0.00 C ATOM 1178 OG1 THR A 72 -2.642 -11.542 1.793 1.00 0.00 O ATOM 1179 CG2 THR A 72 -3.118 -10.541 -0.334 1.00 0.00 C ATOM 0 H THR A 72 -1.267 -8.364 0.021 1.00 0.00 H new ATOM 0 HA THR A 72 -0.337 -10.418 1.683 1.00 0.00 H new ATOM 0 HB THR A 72 -2.671 -9.496 1.471 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.609 -11.602 1.940 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.184 -10.624 -0.123 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.938 -9.662 -0.953 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.783 -11.433 -0.864 1.00 0.00 H new ATOM 1187 N SER A 73 -0.309 -11.055 -1.529 1.00 0.00 N ATOM 1188 CA SER A 73 0.215 -11.971 -2.531 1.00 0.00 C ATOM 1189 C SER A 73 1.703 -12.236 -2.280 1.00 0.00 C ATOM 1190 O SER A 73 2.213 -13.323 -2.560 1.00 0.00 O ATOM 1191 CB SER A 73 0.003 -11.401 -3.941 1.00 0.00 C ATOM 1192 OG SER A 73 1.040 -10.508 -4.309 1.00 0.00 O ATOM 0 H SER A 73 -0.639 -10.165 -1.902 1.00 0.00 H new ATOM 0 HA SER A 73 -0.325 -12.915 -2.456 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.045 -12.219 -4.660 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.955 -10.883 -3.983 1.00 0.00 H new ATOM 0 HG SER A 73 0.960 -9.681 -3.789 1.00 0.00 H new ATOM 1198 N CYS A 74 2.383 -11.234 -1.730 1.00 0.00 N ATOM 1199 CA CYS A 74 3.815 -11.311 -1.477 1.00 0.00 C ATOM 1200 C CYS A 74 4.111 -11.879 -0.085 1.00 0.00 C ATOM 1201 O CYS A 74 4.901 -12.806 0.048 1.00 0.00 O ATOM 1202 CB CYS A 74 4.455 -9.926 -1.640 1.00 0.00 C ATOM 1203 SG CYS A 74 6.253 -9.912 -1.424 1.00 0.00 S ATOM 0 H CYS A 74 1.958 -10.351 -1.449 1.00 0.00 H new ATOM 0 HA CYS A 74 4.249 -11.992 -2.209 1.00 0.00 H new ATOM 0 HB2 CYS A 74 4.216 -9.542 -2.632 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.008 -9.244 -0.917 1.00 0.00 H new ATOM 0 HG CYS A 74 6.620 -10.976 -0.773 1.00 0.00 H new ATOM 1209 N LEU A 75 3.476 -11.314 0.945 1.00 0.00 N ATOM 1210 CA LEU A 75 3.678 -11.745 2.336 1.00 0.00 C ATOM 1211 C LEU A 75 3.482 -13.248 2.499 1.00 0.00 C ATOM 1212 O LEU A 75 4.210 -13.903 3.246 1.00 0.00 O ATOM 1213 CB LEU A 75 2.692 -11.034 3.264 1.00 0.00 C ATOM 1214 CG LEU A 75 2.417 -9.581 2.935 1.00 0.00 C ATOM 1215 CD1 LEU A 75 1.245 -9.082 3.747 1.00 0.00 C ATOM 1216 CD2 LEU A 75 3.650 -8.747 3.203 1.00 0.00 C ATOM 0 H LEU A 75 2.810 -10.548 0.842 1.00 0.00 H new ATOM 0 HA LEU A 75 4.704 -11.488 2.598 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.747 -11.577 3.246 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.074 -11.091 4.283 1.00 0.00 H new ATOM 0 HG LEU A 75 2.166 -9.493 1.878 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.053 -8.037 3.505 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.361 -9.676 3.514 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.473 -9.173 4.809 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.443 -7.704 2.964 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.924 -8.830 4.255 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.473 -9.105 2.584 1.00 0.00 H new ATOM 1228 N ARG A 76 2.496 -13.788 1.795 1.00 0.00 N ATOM 1229 CA ARG A 76 2.118 -15.188 1.951 1.00 0.00 C ATOM 1230 C ARG A 76 3.021 -16.116 1.146 1.00 0.00 C ATOM 1231 O ARG A 76 2.827 -17.331 1.144 1.00 0.00 O ATOM 1232 CB ARG A 76 0.655 -15.381 1.549 1.00 0.00 C ATOM 1233 CG ARG A 76 -0.318 -14.804 2.560 1.00 0.00 C ATOM 1234 CD ARG A 76 -1.675 -14.520 1.942 1.00 0.00 C ATOM 1235 NE ARG A 76 -2.299 -15.711 1.374 1.00 0.00 N ATOM 1236 CZ ARG A 76 -3.407 -15.682 0.636 1.00 0.00 C ATOM 1237 NH1 ARG A 76 -4.012 -14.525 0.382 1.00 0.00 N ATOM 1238 NH2 ARG A 76 -3.910 -16.810 0.153 1.00 0.00 N ATOM 0 H ARG A 76 1.942 -13.277 1.108 1.00 0.00 H new ATOM 0 HA ARG A 76 2.241 -15.451 3.002 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.485 -14.911 0.580 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.455 -16.445 1.427 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.436 -15.501 3.389 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.092 -13.883 2.974 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.333 -14.098 2.701 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.563 -13.767 1.162 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.862 -16.615 1.552 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.627 -13.656 0.753 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.861 -14.507 -0.184 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.448 -17.699 0.347 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.759 -16.789 -0.412 1.00 0.00 H new ATOM 1252 N LYS A 77 4.016 -15.547 0.487 1.00 0.00 N ATOM 1253 CA LYS A 77 4.927 -16.330 -0.338 1.00 0.00 C ATOM 1254 C LYS A 77 6.381 -15.984 -0.029 1.00 0.00 C ATOM 1255 O LYS A 77 6.718 -14.829 0.222 1.00 0.00 O ATOM 1256 CB LYS A 77 4.629 -16.104 -1.815 1.00 0.00 C ATOM 1257 CG LYS A 77 3.340 -16.760 -2.262 1.00 0.00 C ATOM 1258 CD LYS A 77 2.908 -16.280 -3.638 1.00 0.00 C ATOM 1259 CE LYS A 77 1.618 -16.949 -4.087 1.00 0.00 C ATOM 1260 NZ LYS A 77 0.476 -16.628 -3.191 1.00 0.00 N ATOM 0 H LYS A 77 4.215 -14.547 0.506 1.00 0.00 H new ATOM 0 HA LYS A 77 4.775 -17.384 -0.106 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.572 -15.033 -2.009 1.00 0.00 H new ATOM 0 HB3 LYS A 77 5.455 -16.493 -2.411 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.470 -17.842 -2.279 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.553 -16.545 -1.539 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.770 -15.199 -3.620 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.697 -16.489 -4.361 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.381 -16.632 -5.102 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.762 -18.029 -4.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.412 -16.931 -3.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.595 -17.126 -2.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.446 -15.602 -3.021 1.00 0.00 H new ATOM 1274 N LYS A 78 7.243 -16.985 -0.059 1.00 0.00 N ATOM 1275 CA LYS A 78 8.646 -16.791 0.277 1.00 0.00 C ATOM 1276 C LYS A 78 9.441 -16.287 -0.921 1.00 0.00 C ATOM 1277 O LYS A 78 10.244 -17.020 -1.504 1.00 0.00 O ATOM 1278 CB LYS A 78 9.276 -18.086 0.801 1.00 0.00 C ATOM 1279 CG LYS A 78 8.938 -18.411 2.252 1.00 0.00 C ATOM 1280 CD LYS A 78 7.451 -18.639 2.453 1.00 0.00 C ATOM 1281 CE LYS A 78 7.119 -18.913 3.910 1.00 0.00 C ATOM 1282 NZ LYS A 78 7.433 -17.753 4.785 1.00 0.00 N ATOM 0 H LYS A 78 6.998 -17.942 -0.313 1.00 0.00 H new ATOM 0 HA LYS A 78 8.682 -16.037 1.063 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.951 -18.914 0.171 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.359 -18.015 0.700 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.486 -19.301 2.561 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.269 -17.594 2.893 1.00 0.00 H new ATOM 0 HD2 LYS A 78 6.899 -17.763 2.112 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.125 -19.480 1.841 1.00 0.00 H new ATOM 0 HE2 LYS A 78 6.061 -19.158 4.000 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.678 -19.785 4.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.995 -17.893 5.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.464 -17.670 4.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.060 -16.883 4.355 1.00 0.00 H new ATOM 1296 N ARG A 79 9.209 -15.040 -1.295 1.00 0.00 N ATOM 1297 CA ARG A 79 9.986 -14.414 -2.352 1.00 0.00 C ATOM 1298 C ARG A 79 10.511 -13.056 -1.898 1.00 0.00 C ATOM 1299 O ARG A 79 10.029 -12.003 -2.325 1.00 0.00 O ATOM 1300 CB ARG A 79 9.182 -14.292 -3.652 1.00 0.00 C ATOM 1301 CG ARG A 79 7.806 -13.671 -3.487 1.00 0.00 C ATOM 1302 CD ARG A 79 6.716 -14.622 -3.947 1.00 0.00 C ATOM 1303 NE ARG A 79 6.816 -14.945 -5.373 1.00 0.00 N ATOM 1304 CZ ARG A 79 5.845 -14.724 -6.267 1.00 0.00 C ATOM 1305 NH1 ARG A 79 4.715 -14.129 -5.901 1.00 0.00 N ATOM 1306 NH2 ARG A 79 6.012 -15.088 -7.534 1.00 0.00 N ATOM 0 H ARG A 79 8.491 -14.443 -0.884 1.00 0.00 H new ATOM 0 HA ARG A 79 10.839 -15.058 -2.563 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.753 -13.695 -4.363 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.069 -15.284 -4.088 1.00 0.00 H new ATOM 0 HG2 ARG A 79 7.646 -13.408 -2.441 1.00 0.00 H new ATOM 0 HG3 ARG A 79 7.751 -12.746 -4.060 1.00 0.00 H new ATOM 0 HD2 ARG A 79 6.772 -15.542 -3.365 1.00 0.00 H new ATOM 0 HD3 ARG A 79 5.742 -14.177 -3.746 1.00 0.00 H new ATOM 0 HE ARG A 79 7.683 -15.366 -5.706 1.00 0.00 H new ATOM 0 HH11 ARG A 79 4.583 -13.837 -4.933 1.00 0.00 H new ATOM 0 HH12 ARG A 79 3.980 -13.964 -6.588 1.00 0.00 H new ATOM 0 HH21 ARG A 79 6.881 -15.536 -7.826 1.00 0.00 H new ATOM 0 HH22 ARG A 79 5.272 -14.919 -8.215 1.00 0.00 H new ATOM 1320 N LYS A 80 11.502 -13.092 -1.015 1.00 0.00 N ATOM 1321 CA LYS A 80 12.160 -11.881 -0.537 1.00 0.00 C ATOM 1322 C LYS A 80 13.686 -12.018 -0.643 1.00 0.00 C ATOM 1323 O LYS A 80 14.380 -11.979 0.374 1.00 0.00 O ATOM 1324 CB LYS A 80 11.780 -11.596 0.922 1.00 0.00 C ATOM 1325 CG LYS A 80 10.281 -11.506 1.178 1.00 0.00 C ATOM 1326 CD LYS A 80 9.981 -11.118 2.622 1.00 0.00 C ATOM 1327 CE LYS A 80 10.515 -12.145 3.612 1.00 0.00 C ATOM 1328 NZ LYS A 80 10.351 -11.697 5.021 1.00 0.00 N ATOM 0 H LYS A 80 11.870 -13.954 -0.613 1.00 0.00 H new ATOM 0 HA LYS A 80 11.827 -11.053 -1.163 1.00 0.00 H new ATOM 0 HB2 LYS A 80 12.197 -12.381 1.553 1.00 0.00 H new ATOM 0 HB3 LYS A 80 12.245 -10.659 1.229 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.840 -10.772 0.504 1.00 0.00 H new ATOM 0 HG3 LYS A 80 9.815 -12.465 0.954 1.00 0.00 H new ATOM 0 HD2 LYS A 80 10.423 -10.145 2.835 1.00 0.00 H new ATOM 0 HD3 LYS A 80 8.904 -11.014 2.753 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.994 -13.092 3.469 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.570 -12.329 3.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 10.727 -12.424 5.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 10.869 -10.807 5.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 9.342 -11.546 5.222 1.00 0.00 H new ATOM 1342 N PRO A 81 14.230 -12.208 -1.866 1.00 0.00 N ATOM 1343 CA PRO A 81 15.683 -12.327 -2.069 1.00 0.00 C ATOM 1344 C PRO A 81 16.445 -11.113 -1.545 1.00 0.00 C ATOM 1345 O PRO A 81 17.405 -11.249 -0.785 1.00 0.00 O ATOM 1346 CB PRO A 81 15.842 -12.419 -3.590 1.00 0.00 C ATOM 1347 CG PRO A 81 14.512 -12.851 -4.106 1.00 0.00 C ATOM 1348 CD PRO A 81 13.479 -12.350 -3.132 1.00 0.00 C ATOM 0 HA PRO A 81 16.087 -13.185 -1.531 1.00 0.00 H new ATOM 0 HB2 PRO A 81 16.133 -11.457 -4.013 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.619 -13.134 -3.860 1.00 0.00 H new ATOM 0 HG2 PRO A 81 14.333 -12.444 -5.101 1.00 0.00 H new ATOM 0 HG3 PRO A 81 14.466 -13.937 -4.193 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.053 -11.400 -3.454 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.651 -13.052 -3.030 1.00 0.00 H new ATOM 1356 N GLN A 82 16.008 -9.931 -1.951 1.00 0.00 N ATOM 1357 CA GLN A 82 16.660 -8.691 -1.561 1.00 0.00 C ATOM 1358 C GLN A 82 15.721 -7.842 -0.713 1.00 0.00 C ATOM 1359 O GLN A 82 14.606 -7.530 -1.136 1.00 0.00 O ATOM 1360 CB GLN A 82 17.083 -7.914 -2.808 1.00 0.00 C ATOM 1361 CG GLN A 82 17.764 -6.591 -2.507 1.00 0.00 C ATOM 1362 CD GLN A 82 18.058 -5.790 -3.758 1.00 0.00 C ATOM 1363 OE1 GLN A 82 17.339 -5.879 -4.754 1.00 0.00 O ATOM 1364 NE2 GLN A 82 19.116 -4.999 -3.716 1.00 0.00 N ATOM 0 H GLN A 82 15.197 -9.804 -2.556 1.00 0.00 H new ATOM 0 HA GLN A 82 17.544 -8.930 -0.970 1.00 0.00 H new ATOM 0 HB2 GLN A 82 17.759 -8.533 -3.398 1.00 0.00 H new ATOM 0 HB3 GLN A 82 16.203 -7.727 -3.423 1.00 0.00 H new ATOM 0 HG2 GLN A 82 17.130 -6.003 -1.844 1.00 0.00 H new ATOM 0 HG3 GLN A 82 18.695 -6.779 -1.973 1.00 0.00 H new ATOM 0 HE21 GLN A 82 19.686 -4.954 -2.871 1.00 0.00 H new ATOM 0 HE22 GLN A 82 19.363 -4.433 -4.528 1.00 0.00 H new ATOM 1373 N ALA A 83 16.170 -7.473 0.479 1.00 0.00 N ATOM 1374 CA ALA A 83 15.374 -6.656 1.381 1.00 0.00 C ATOM 1375 C ALA A 83 16.260 -5.691 2.157 1.00 0.00 C ATOM 1376 O ALA A 83 17.052 -6.161 3.000 1.00 0.00 O ATOM 1377 CB ALA A 83 14.578 -7.533 2.335 1.00 0.00 C ATOM 1378 OXT ALA A 83 16.157 -4.466 1.927 1.00 0.00 O ATOM 0 H ALA A 83 17.087 -7.729 0.844 1.00 0.00 H new ATOM 0 HA ALA A 83 14.673 -6.072 0.784 1.00 0.00 H new ATOM 0 HB1 ALA A 83 13.989 -6.904 3.002 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.912 -8.180 1.764 1.00 0.00 H new ATOM 0 HB3 ALA A 83 15.262 -8.145 2.923 1.00 0.00 H new TER 1384 ALA A 83 ATOM 1385 N GLU B 201 -6.666 8.892 12.506 1.00 0.00 N ATOM 1386 CA GLU B 201 -6.205 8.790 11.105 1.00 0.00 C ATOM 1387 C GLU B 201 -5.066 7.788 10.997 1.00 0.00 C ATOM 1388 O GLU B 201 -4.383 7.507 11.982 1.00 0.00 O ATOM 1389 CB GLU B 201 -5.750 10.159 10.598 1.00 0.00 C ATOM 1390 CG GLU B 201 -6.845 11.212 10.621 1.00 0.00 C ATOM 1391 CD GLU B 201 -6.373 12.545 10.089 1.00 0.00 C ATOM 1392 OE1 GLU B 201 -5.719 13.292 10.846 1.00 0.00 O ATOM 1393 OE2 GLU B 201 -6.653 12.855 8.911 1.00 0.00 O ATOM 0 HA GLU B 201 -7.035 8.445 10.489 1.00 0.00 H new ATOM 0 HB2 GLU B 201 -4.914 10.503 11.207 1.00 0.00 H new ATOM 0 HB3 GLU B 201 -5.380 10.055 9.578 1.00 0.00 H new ATOM 0 HG2 GLU B 201 -7.691 10.866 10.027 1.00 0.00 H new ATOM 0 HG3 GLU B 201 -7.203 11.338 11.643 1.00 0.00 H new ATOM 1402 N ILE B 202 -4.871 7.247 9.805 1.00 0.00 N ATOM 1403 CA ILE B 202 -3.810 6.281 9.558 1.00 0.00 C ATOM 1404 C ILE B 202 -2.944 6.751 8.393 1.00 0.00 C ATOM 1405 O ILE B 202 -3.373 6.731 7.240 1.00 0.00 O ATOM 1406 CB ILE B 202 -4.383 4.875 9.247 1.00 0.00 C ATOM 1407 CG1 ILE B 202 -5.109 4.298 10.468 1.00 0.00 C ATOM 1408 CG2 ILE B 202 -3.279 3.927 8.791 1.00 0.00 C ATOM 1409 CD1 ILE B 202 -4.189 3.936 11.617 1.00 0.00 C ATOM 0 H ILE B 202 -5.439 7.463 8.986 1.00 0.00 H new ATOM 0 HA ILE B 202 -3.206 6.208 10.462 1.00 0.00 H new ATOM 0 HB ILE B 202 -5.104 4.980 8.436 1.00 0.00 H new ATOM 0 HG12 ILE B 202 -5.843 5.024 10.818 1.00 0.00 H new ATOM 0 HG13 ILE B 202 -5.661 3.409 10.163 1.00 0.00 H new ATOM 0 HG21 ILE B 202 -3.706 2.947 8.579 1.00 0.00 H new ATOM 0 HG22 ILE B 202 -2.810 4.321 7.890 1.00 0.00 H new ATOM 0 HG23 ILE B 202 -2.531 3.834 9.578 1.00 0.00 H new ATOM 0 HD11 ILE B 202 -4.778 3.535 12.442 1.00 0.00 H new ATOM 0 HD12 ILE B 202 -3.471 3.186 11.286 1.00 0.00 H new ATOM 0 HD13 ILE B 202 -3.656 4.826 11.951 1.00 0.00 H new ATOM 1421 N LYS B 203 -1.734 7.192 8.697 1.00 0.00 N ATOM 1422 CA LYS B 203 -0.839 7.708 7.676 1.00 0.00 C ATOM 1423 C LYS B 203 0.404 6.836 7.550 1.00 0.00 C ATOM 1424 O LYS B 203 1.089 6.560 8.538 1.00 0.00 O ATOM 1425 CB LYS B 203 -0.444 9.151 8.000 1.00 0.00 C ATOM 1426 CG LYS B 203 0.517 9.765 6.994 1.00 0.00 C ATOM 1427 CD LYS B 203 0.823 11.220 7.318 1.00 0.00 C ATOM 1428 CE LYS B 203 1.499 11.369 8.672 1.00 0.00 C ATOM 1429 NZ LYS B 203 1.818 12.788 8.977 1.00 0.00 N ATOM 0 H LYS B 203 -1.350 7.203 9.642 1.00 0.00 H new ATOM 0 HA LYS B 203 -1.364 7.691 6.721 1.00 0.00 H new ATOM 0 HB2 LYS B 203 -1.345 9.763 8.048 1.00 0.00 H new ATOM 0 HB3 LYS B 203 0.013 9.179 8.989 1.00 0.00 H new ATOM 0 HG2 LYS B 203 1.445 9.193 6.982 1.00 0.00 H new ATOM 0 HG3 LYS B 203 0.088 9.698 5.994 1.00 0.00 H new ATOM 0 HD2 LYS B 203 1.466 11.637 6.543 1.00 0.00 H new ATOM 0 HD3 LYS B 203 -0.102 11.796 7.309 1.00 0.00 H new ATOM 0 HE2 LYS B 203 0.848 10.968 9.449 1.00 0.00 H new ATOM 0 HE3 LYS B 203 2.415 10.779 8.687 1.00 0.00 H new ATOM 0 HZ1 LYS B 203 2.278 12.848 9.908 1.00 0.00 H new ATOM 0 HZ2 LYS B 203 2.459 13.164 8.249 1.00 0.00 H new ATOM 0 HZ3 LYS B 203 0.941 13.347 8.987 1.00 0.00 H new ATOM 1443 N LEU B 204 0.688 6.399 6.332 1.00 0.00 N ATOM 1444 CA LEU B 204 1.870 5.591 6.071 1.00 0.00 C ATOM 1445 C LEU B 204 2.920 6.431 5.354 1.00 0.00 C ATOM 1446 O LEU B 204 2.668 6.963 4.271 1.00 0.00 O ATOM 1447 CB LEU B 204 1.519 4.370 5.209 1.00 0.00 C ATOM 1448 CG LEU B 204 2.212 3.049 5.591 1.00 0.00 C ATOM 1449 CD1 LEU B 204 1.914 1.977 4.555 1.00 0.00 C ATOM 1450 CD2 LEU B 204 3.717 3.221 5.742 1.00 0.00 C ATOM 0 H LEU B 204 0.116 6.590 5.509 1.00 0.00 H new ATOM 0 HA LEU B 204 2.264 5.243 7.026 1.00 0.00 H new ATOM 0 HB2 LEU B 204 0.441 4.217 5.254 1.00 0.00 H new ATOM 0 HB3 LEU B 204 1.766 4.600 4.172 1.00 0.00 H new ATOM 0 HG LEU B 204 1.813 2.740 6.557 1.00 0.00 H new ATOM 0 HD11 LEU B 204 2.411 1.049 4.838 1.00 0.00 H new ATOM 0 HD12 LEU B 204 0.838 1.811 4.502 1.00 0.00 H new ATOM 0 HD13 LEU B 204 2.280 2.301 3.581 1.00 0.00 H new ATOM 0 HD21 LEU B 204 4.167 2.266 6.012 1.00 0.00 H new ATOM 0 HD22 LEU B 204 4.140 3.568 4.799 1.00 0.00 H new ATOM 0 HD23 LEU B 204 3.923 3.953 6.523 1.00 0.00 H new ATOM 1462 N LYS B 205 4.082 6.562 5.968 1.00 0.00 N ATOM 1463 CA LYS B 205 5.204 7.237 5.341 1.00 0.00 C ATOM 1464 C LYS B 205 6.209 6.205 4.868 1.00 0.00 C ATOM 1465 O LYS B 205 7.240 5.996 5.509 1.00 0.00 O ATOM 1466 CB LYS B 205 5.876 8.203 6.323 1.00 0.00 C ATOM 1467 CG LYS B 205 4.992 9.362 6.743 1.00 0.00 C ATOM 1468 CD LYS B 205 4.719 10.306 5.583 1.00 0.00 C ATOM 1469 CE LYS B 205 5.934 11.155 5.249 1.00 0.00 C ATOM 1470 NZ LYS B 205 5.646 12.118 4.154 1.00 0.00 N ATOM 0 H LYS B 205 4.274 6.208 6.905 1.00 0.00 H new ATOM 0 HA LYS B 205 4.837 7.813 4.491 1.00 0.00 H new ATOM 0 HB2 LYS B 205 6.180 7.650 7.211 1.00 0.00 H new ATOM 0 HB3 LYS B 205 6.784 8.597 5.866 1.00 0.00 H new ATOM 0 HG2 LYS B 205 4.048 8.979 7.131 1.00 0.00 H new ATOM 0 HG3 LYS B 205 5.471 9.910 7.554 1.00 0.00 H new ATOM 0 HD2 LYS B 205 4.426 9.729 4.706 1.00 0.00 H new ATOM 0 HD3 LYS B 205 3.879 10.955 5.832 1.00 0.00 H new ATOM 0 HE2 LYS B 205 6.253 11.699 6.138 1.00 0.00 H new ATOM 0 HE3 LYS B 205 6.761 10.508 4.957 1.00 0.00 H new ATOM 0 HZ1 LYS B 205 6.245 12.961 4.267 1.00 0.00 H new ATOM 0 HZ2 LYS B 205 5.847 11.671 3.237 1.00 0.00 H new ATOM 0 HZ3 LYS B 205 4.645 12.397 4.192 1.00 0.00 H new ATOM 1484 N ILE B 206 5.902 5.536 3.761 1.00 0.00 N ATOM 1485 CA ILE B 206 6.790 4.499 3.265 1.00 0.00 C ATOM 1486 C ILE B 206 8.108 5.114 2.813 1.00 0.00 C ATOM 1487 O ILE B 206 8.129 5.956 1.911 1.00 0.00 O ATOM 1488 CB ILE B 206 6.229 3.692 2.073 1.00 0.00 C ATOM 1489 CG1 ILE B 206 4.727 3.455 2.140 1.00 0.00 C ATOM 1490 CG2 ILE B 206 6.904 2.350 2.061 1.00 0.00 C ATOM 1491 CD1 ILE B 206 4.190 2.732 0.918 1.00 0.00 C ATOM 0 H ILE B 206 5.063 5.691 3.203 1.00 0.00 H new ATOM 0 HA ILE B 206 6.916 3.813 4.103 1.00 0.00 H new ATOM 0 HB ILE B 206 6.423 4.278 1.175 1.00 0.00 H new ATOM 0 HG12 ILE B 206 4.495 2.873 3.032 1.00 0.00 H new ATOM 0 HG13 ILE B 206 4.217 4.413 2.243 1.00 0.00 H new ATOM 0 HG21 ILE B 206 6.525 1.759 1.227 1.00 0.00 H new ATOM 0 HG22 ILE B 206 7.980 2.485 1.950 1.00 0.00 H new ATOM 0 HG23 ILE B 206 6.698 1.831 2.997 1.00 0.00 H new ATOM 0 HD11 ILE B 206 3.114 2.591 1.022 1.00 0.00 H new ATOM 0 HD12 ILE B 206 4.394 3.324 0.026 1.00 0.00 H new ATOM 0 HD13 ILE B 206 4.676 1.761 0.827 1.00 0.00 H new ATOM 1503 N THR B 207 9.198 4.689 3.427 1.00 0.00 N ATOM 1504 CA THR B 207 10.516 5.193 3.087 1.00 0.00 C ATOM 1505 C THR B 207 11.269 4.185 2.225 1.00 0.00 C ATOM 1506 O THR B 207 11.710 3.145 2.717 1.00 0.00 O ATOM 1507 CB THR B 207 11.334 5.499 4.357 1.00 0.00 C ATOM 1508 OG1 THR B 207 11.327 4.357 5.227 1.00 0.00 O ATOM 1509 CG2 THR B 207 10.768 6.705 5.091 1.00 0.00 C ATOM 0 H THR B 207 9.195 3.990 4.170 1.00 0.00 H new ATOM 0 HA THR B 207 10.383 6.117 2.524 1.00 0.00 H new ATOM 0 HB THR B 207 12.358 5.726 4.059 1.00 0.00 H new ATOM 0 HG1 THR B 207 11.515 3.548 4.707 1.00 0.00 H new ATOM 0 HG21 THR B 207 11.363 6.900 5.983 1.00 0.00 H new ATOM 0 HG22 THR B 207 10.799 7.576 4.437 1.00 0.00 H new ATOM 0 HG23 THR B 207 9.736 6.504 5.380 1.00 0.00 H new ATOM 1517 N LYS B 208 11.404 4.489 0.937 1.00 0.00 N ATOM 1518 CA LYS B 208 12.090 3.591 0.012 1.00 0.00 C ATOM 1519 C LYS B 208 12.371 4.287 -1.316 1.00 0.00 C ATOM 1520 O LYS B 208 12.196 5.498 -1.422 1.00 0.00 O ATOM 1521 CB LYS B 208 11.302 2.280 -0.206 1.00 0.00 C ATOM 1522 CG LYS B 208 10.095 2.368 -1.140 1.00 0.00 C ATOM 1523 CD LYS B 208 9.019 3.303 -0.624 1.00 0.00 C ATOM 1524 CE LYS B 208 9.131 4.658 -1.285 1.00 0.00 C ATOM 1525 NZ LYS B 208 8.186 5.642 -0.716 1.00 0.00 N ATOM 0 H LYS B 208 11.050 5.346 0.512 1.00 0.00 H new ATOM 0 HA LYS B 208 13.044 3.324 0.466 1.00 0.00 H new ATOM 0 HB2 LYS B 208 11.987 1.530 -0.601 1.00 0.00 H new ATOM 0 HB3 LYS B 208 10.959 1.920 0.764 1.00 0.00 H new ATOM 0 HG2 LYS B 208 10.425 2.708 -2.122 1.00 0.00 H new ATOM 0 HG3 LYS B 208 9.671 1.373 -1.273 1.00 0.00 H new ATOM 0 HD2 LYS B 208 8.035 2.877 -0.820 1.00 0.00 H new ATOM 0 HD3 LYS B 208 9.111 3.411 0.457 1.00 0.00 H new ATOM 0 HE2 LYS B 208 10.149 5.030 -1.174 1.00 0.00 H new ATOM 0 HE3 LYS B 208 8.944 4.555 -2.354 1.00 0.00 H new ATOM 0 HZ1 LYS B 208 8.402 6.588 -1.091 1.00 0.00 H new ATOM 0 HZ2 LYS B 208 7.214 5.380 -0.976 1.00 0.00 H new ATOM 0 HZ3 LYS B 208 8.276 5.651 0.320 1.00 0.00 H new ATOM 1539 N THR B 209 12.814 3.506 -2.307 1.00 0.00 N ATOM 1540 CA THR B 209 13.191 4.005 -3.639 1.00 0.00 C ATOM 1541 C THR B 209 14.284 5.068 -3.547 1.00 0.00 C ATOM 1542 O THR B 209 14.480 5.856 -4.474 1.00 0.00 O ATOM 1543 CB THR B 209 11.989 4.556 -4.462 1.00 0.00 C ATOM 1544 OG1 THR B 209 11.374 5.671 -3.802 1.00 0.00 O ATOM 1545 CG2 THR B 209 10.939 3.483 -4.687 1.00 0.00 C ATOM 0 H THR B 209 12.923 2.497 -2.208 1.00 0.00 H new ATOM 0 HA THR B 209 13.573 3.135 -4.174 1.00 0.00 H new ATOM 0 HB THR B 209 12.388 4.880 -5.423 1.00 0.00 H new ATOM 0 HG1 THR B 209 11.875 5.886 -2.988 1.00 0.00 H new ATOM 0 HG21 THR B 209 10.113 3.898 -5.264 1.00 0.00 H new ATOM 0 HG22 THR B 209 11.381 2.650 -5.234 1.00 0.00 H new ATOM 0 HG23 THR B 209 10.568 3.130 -3.725 1.00 0.00 H new ATOM 1553 N ILE B 210 15.013 5.062 -2.440 1.00 0.00 N ATOM 1554 CA ILE B 210 16.042 6.055 -2.202 1.00 0.00 C ATOM 1555 C ILE B 210 17.350 5.633 -2.867 1.00 0.00 C ATOM 1556 O ILE B 210 17.959 4.622 -2.503 1.00 0.00 O ATOM 1557 CB ILE B 210 16.249 6.314 -0.684 1.00 0.00 C ATOM 1558 CG1 ILE B 210 17.388 7.308 -0.449 1.00 0.00 C ATOM 1559 CG2 ILE B 210 16.503 5.019 0.075 1.00 0.00 C ATOM 1560 CD1 ILE B 210 17.090 8.699 -0.963 1.00 0.00 C ATOM 0 H ILE B 210 14.908 4.376 -1.692 1.00 0.00 H new ATOM 0 HA ILE B 210 15.711 6.993 -2.647 1.00 0.00 H new ATOM 0 HB ILE B 210 15.327 6.750 -0.299 1.00 0.00 H new ATOM 0 HG12 ILE B 210 17.599 7.361 0.619 1.00 0.00 H new ATOM 0 HG13 ILE B 210 18.290 6.936 -0.934 1.00 0.00 H new ATOM 0 HG21 ILE B 210 16.643 5.239 1.133 1.00 0.00 H new ATOM 0 HG22 ILE B 210 15.649 4.352 -0.047 1.00 0.00 H new ATOM 0 HG23 ILE B 210 17.399 4.537 -0.317 1.00 0.00 H new ATOM 0 HD11 ILE B 210 17.940 9.351 -0.763 1.00 0.00 H new ATOM 0 HD12 ILE B 210 16.909 8.659 -2.037 1.00 0.00 H new ATOM 0 HD13 ILE B 210 16.206 9.091 -0.460 1.00 0.00 H new ATOM 1572 N GLN B 211 17.762 6.398 -3.865 1.00 0.00 N ATOM 1573 CA GLN B 211 18.964 6.089 -4.617 1.00 0.00 C ATOM 1574 C GLN B 211 20.211 6.458 -3.821 1.00 0.00 C ATOM 1575 O GLN B 211 20.529 7.637 -3.655 1.00 0.00 O ATOM 1576 CB GLN B 211 18.956 6.822 -5.963 1.00 0.00 C ATOM 1577 CG GLN B 211 20.147 6.482 -6.844 1.00 0.00 C ATOM 1578 CD GLN B 211 20.097 7.159 -8.197 1.00 0.00 C ATOM 1579 OE1 GLN B 211 19.023 7.436 -8.732 1.00 0.00 O ATOM 1580 NE2 GLN B 211 21.260 7.424 -8.766 1.00 0.00 N ATOM 0 H GLN B 211 17.278 7.241 -4.173 1.00 0.00 H new ATOM 0 HA GLN B 211 18.982 5.015 -4.803 1.00 0.00 H new ATOM 0 HB2 GLN B 211 18.038 6.577 -6.496 1.00 0.00 H new ATOM 0 HB3 GLN B 211 18.942 7.897 -5.783 1.00 0.00 H new ATOM 0 HG2 GLN B 211 21.065 6.773 -6.332 1.00 0.00 H new ATOM 0 HG3 GLN B 211 20.190 5.402 -6.986 1.00 0.00 H new ATOM 0 HE21 GLN B 211 22.128 7.179 -8.290 1.00 0.00 H new ATOM 0 HE22 GLN B 211 21.289 7.874 -9.681 1.00 0.00 H new ATOM 1589 N ASN B 212 20.901 5.448 -3.316 1.00 0.00 N ATOM 1590 CA ASN B 212 22.147 5.651 -2.595 1.00 0.00 C ATOM 1591 C ASN B 212 23.121 4.529 -2.931 1.00 0.00 C ATOM 1592 O ASN B 212 22.761 3.346 -2.753 1.00 0.00 O ATOM 1593 CB ASN B 212 21.910 5.748 -1.077 1.00 0.00 C ATOM 1594 CG ASN B 212 21.395 4.462 -0.451 1.00 0.00 C ATOM 1595 OD1 ASN B 212 22.169 3.633 0.027 1.00 0.00 O ATOM 1596 ND2 ASN B 212 20.082 4.288 -0.442 1.00 0.00 N ATOM 1597 OXT ASN B 212 24.234 4.831 -3.406 1.00 0.00 O ATOM 0 H ASN B 212 20.616 4.472 -3.393 1.00 0.00 H new ATOM 0 HA ASN B 212 22.581 6.600 -2.910 1.00 0.00 H new ATOM 0 HB2 ASN B 212 22.844 6.029 -0.590 1.00 0.00 H new ATOM 0 HB3 ASN B 212 21.196 6.548 -0.881 1.00 0.00 H new ATOM 0 HD21 ASN B 212 19.682 3.445 -0.029 1.00 0.00 H new ATOM 0 HD22 ASN B 212 19.471 4.997 -0.848 1.00 0.00 H new TER 1604 ASN B 212