USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 550 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 141 CYS SG : rot 180:sc= -0.247 USER MOD Set 1.2: A 145 GLN : amide:sc= 0.123 X(o=-0.12,f=-0.36) USER MOD Set 2.1: A 114 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 118 GLN : amide:sc= -1.54! K(o=-1.5!,f=-0.059) USER MOD Set 3.1: A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 130 HIS : no HD1:sc= -3.34! C(o=-3.3!,f=-3.1!) USER MOD Set 4.1: A 80 LYS NZ :NH3+ 160:sc= 1.28 (180deg=0) USER MOD Set 4.2: A 83 GLN : amide:sc= 1.05 K(o=2.3,f=-6.6!) USER MOD Single : A 69 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 148:sc= -0.0688 (180deg=-1.28) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl -168:sc= -0.0134 (180deg=-0.291) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 30:sc= 0 USER MOD Single : A 122 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 131 THR OG1 : rot 150:sc= 0 USER MOD Single : A 134 GLN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 135 MET CE :methyl -127:sc= -1.01 (180deg=-2.22) USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 52 N TRP A 64 2.730 6.552 3.588 1.00 0.00 N ATOM 53 CA TRP A 64 3.715 6.601 2.535 1.00 0.00 C ATOM 54 C TRP A 64 3.577 7.899 1.743 1.00 0.00 C ATOM 55 O TRP A 64 4.460 8.756 1.822 1.00 0.00 O ATOM 56 CB TRP A 64 3.683 5.294 1.728 1.00 0.00 C ATOM 57 CG TRP A 64 2.373 4.736 1.253 1.00 0.00 C ATOM 58 CD1 TRP A 64 1.695 3.732 1.852 1.00 0.00 C ATOM 59 CD2 TRP A 64 1.674 4.982 -0.007 1.00 0.00 C ATOM 60 NE1 TRP A 64 0.626 3.364 1.063 1.00 0.00 N ATOM 61 CE2 TRP A 64 0.547 4.118 -0.085 1.00 0.00 C ATOM 62 CE3 TRP A 64 1.899 5.824 -1.113 1.00 0.00 C ATOM 63 CZ2 TRP A 64 -0.347 4.142 -1.166 1.00 0.00 C ATOM 64 CZ3 TRP A 64 1.027 5.855 -2.215 1.00 0.00 C ATOM 65 CH2 TRP A 64 -0.106 5.024 -2.233 1.00 0.00 C ATOM 0 HA TRP A 64 4.728 6.645 2.936 1.00 0.00 H new ATOM 0 HB2 TRP A 64 4.310 5.441 0.849 1.00 0.00 H new ATOM 0 HB3 TRP A 64 4.161 4.526 2.336 1.00 0.00 H new ATOM 0 HD1 TRP A 64 1.951 3.287 2.802 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -0.029 2.620 1.302 1.00 0.00 H new ATOM 0 HE3 TRP A 64 2.768 6.465 -1.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -1.209 3.491 -1.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 1.227 6.516 -3.046 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -0.791 5.063 -3.067 1.00 0.00 H new ATOM 76 N GLY A 65 2.477 8.048 1.007 1.00 0.00 N ATOM 77 CA GLY A 65 2.166 9.207 0.185 1.00 0.00 C ATOM 78 C GLY A 65 3.291 9.518 -0.802 1.00 0.00 C ATOM 79 O GLY A 65 3.499 8.762 -1.753 1.00 0.00 O ATOM 0 H GLY A 65 1.751 7.333 0.968 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.241 9.027 -0.363 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.994 10.072 0.826 1.00 0.00 H new ATOM 83 N ARG A 66 4.041 10.600 -0.557 1.00 0.00 N ATOM 84 CA ARG A 66 5.188 11.063 -1.352 1.00 0.00 C ATOM 85 C ARG A 66 6.184 9.955 -1.672 1.00 0.00 C ATOM 86 O ARG A 66 6.809 10.007 -2.729 1.00 0.00 O ATOM 87 CB ARG A 66 5.906 12.217 -0.615 1.00 0.00 C ATOM 88 CG ARG A 66 5.831 13.584 -1.312 1.00 0.00 C ATOM 89 CD ARG A 66 4.434 14.229 -1.254 1.00 0.00 C ATOM 90 NE ARG A 66 3.457 13.604 -2.164 1.00 0.00 N ATOM 91 CZ ARG A 66 3.537 13.604 -3.502 1.00 0.00 C ATOM 92 NH1 ARG A 66 4.440 14.360 -4.112 1.00 0.00 N ATOM 93 NH2 ARG A 66 2.746 12.831 -4.234 1.00 0.00 N ATOM 0 H ARG A 66 3.856 11.208 0.241 1.00 0.00 H new ATOM 0 HA ARG A 66 4.789 11.412 -2.305 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.478 12.312 0.383 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.955 11.949 -0.488 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.553 14.258 -0.851 1.00 0.00 H new ATOM 0 HG3 ARG A 66 6.125 13.467 -2.355 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.057 14.169 -0.233 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.521 15.287 -1.499 1.00 0.00 H new ATOM 0 HE ARG A 66 2.656 13.134 -1.742 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.073 14.941 -3.563 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.501 14.360 -5.130 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.064 12.224 -3.780 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.820 12.843 -5.251 1.00 0.00 H new ATOM 107 N LEU A 67 6.292 8.952 -0.795 1.00 0.00 N ATOM 108 CA LEU A 67 7.084 7.737 -0.960 1.00 0.00 C ATOM 109 C LEU A 67 7.057 7.218 -2.390 1.00 0.00 C ATOM 110 O LEU A 67 8.107 6.909 -2.945 1.00 0.00 O ATOM 111 CB LEU A 67 6.525 6.631 -0.057 1.00 0.00 C ATOM 112 CG LEU A 67 7.630 5.922 0.721 1.00 0.00 C ATOM 113 CD1 LEU A 67 7.853 6.676 2.038 1.00 0.00 C ATOM 114 CD2 LEU A 67 7.256 4.468 0.980 1.00 0.00 C ATOM 0 H LEU A 67 5.800 8.971 0.098 1.00 0.00 H new ATOM 0 HA LEU A 67 8.110 7.992 -0.696 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.807 7.060 0.641 1.00 0.00 H new ATOM 0 HB3 LEU A 67 5.984 5.905 -0.664 1.00 0.00 H new ATOM 0 HG LEU A 67 8.552 5.920 0.140 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.640 6.185 2.610 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.148 7.703 1.824 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.930 6.677 2.618 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.057 3.980 1.536 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.334 4.427 1.560 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.109 3.955 0.029 1.00 0.00 H new ATOM 126 N ALA A 68 5.860 7.124 -2.978 1.00 0.00 N ATOM 127 CA ALA A 68 5.673 6.469 -4.258 1.00 0.00 C ATOM 128 C ALA A 68 6.490 7.131 -5.372 1.00 0.00 C ATOM 129 O ALA A 68 6.864 6.437 -6.310 1.00 0.00 O ATOM 130 CB ALA A 68 4.183 6.427 -4.599 1.00 0.00 C ATOM 0 H ALA A 68 5.002 7.501 -2.575 1.00 0.00 H new ATOM 0 HA ALA A 68 6.045 5.448 -4.178 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.044 5.934 -5.561 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.649 5.873 -3.827 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.793 7.443 -4.652 1.00 0.00 H new ATOM 136 N CYS A 69 6.831 8.422 -5.263 1.00 0.00 N ATOM 137 CA CYS A 69 7.634 9.102 -6.272 1.00 0.00 C ATOM 138 C CYS A 69 9.103 8.648 -6.206 1.00 0.00 C ATOM 139 O CYS A 69 9.720 8.400 -7.245 1.00 0.00 O ATOM 140 CB CYS A 69 7.469 10.618 -6.121 1.00 0.00 C ATOM 141 SG CYS A 69 7.857 11.418 -7.704 1.00 0.00 S ATOM 0 H CYS A 69 6.558 9.014 -4.479 1.00 0.00 H new ATOM 0 HA CYS A 69 7.281 8.830 -7.267 1.00 0.00 H new ATOM 0 HB2 CYS A 69 6.449 10.857 -5.819 1.00 0.00 H new ATOM 0 HB3 CYS A 69 8.129 10.992 -5.339 1.00 0.00 H new ATOM 0 HG CYS A 69 7.718 12.705 -7.585 1.00 0.00 H new ATOM 147 N TYR A 70 9.641 8.426 -4.997 1.00 0.00 N ATOM 148 CA TYR A 70 10.967 7.828 -4.778 1.00 0.00 C ATOM 149 C TYR A 70 11.025 6.405 -5.349 1.00 0.00 C ATOM 150 O TYR A 70 12.112 5.859 -5.522 1.00 0.00 O ATOM 151 CB TYR A 70 11.332 7.784 -3.274 1.00 0.00 C ATOM 152 CG TYR A 70 11.337 9.117 -2.553 1.00 0.00 C ATOM 153 CD1 TYR A 70 10.121 9.739 -2.223 1.00 0.00 C ATOM 154 CD2 TYR A 70 12.553 9.728 -2.187 1.00 0.00 C ATOM 155 CE1 TYR A 70 10.105 10.991 -1.595 1.00 0.00 C ATOM 156 CE2 TYR A 70 12.544 10.980 -1.548 1.00 0.00 C ATOM 157 CZ TYR A 70 11.321 11.628 -1.276 1.00 0.00 C ATOM 158 OH TYR A 70 11.316 12.851 -0.684 1.00 0.00 O ATOM 0 H TYR A 70 9.159 8.661 -4.129 1.00 0.00 H new ATOM 0 HA TYR A 70 11.689 8.460 -5.296 1.00 0.00 H new ATOM 0 HB2 TYR A 70 10.628 7.123 -2.769 1.00 0.00 H new ATOM 0 HB3 TYR A 70 12.320 7.335 -3.173 1.00 0.00 H new ATOM 0 HD1 TYR A 70 9.189 9.246 -2.456 1.00 0.00 H new ATOM 0 HD2 TYR A 70 13.491 9.235 -2.397 1.00 0.00 H new ATOM 0 HE1 TYR A 70 9.165 11.466 -1.356 1.00 0.00 H new ATOM 0 HE2 TYR A 70 13.476 11.447 -1.265 1.00 0.00 H new ATOM 0 HH TYR A 70 12.239 13.145 -0.532 1.00 0.00 H new ATOM 168 N LEU A 71 9.866 5.809 -5.646 1.00 0.00 N ATOM 169 CA LEU A 71 9.684 4.446 -6.122 1.00 0.00 C ATOM 170 C LEU A 71 9.026 4.438 -7.509 1.00 0.00 C ATOM 171 O LEU A 71 8.562 3.397 -7.972 1.00 0.00 O ATOM 172 CB LEU A 71 8.867 3.655 -5.090 1.00 0.00 C ATOM 173 CG LEU A 71 9.407 3.696 -3.649 1.00 0.00 C ATOM 174 CD1 LEU A 71 8.450 2.924 -2.739 1.00 0.00 C ATOM 175 CD2 LEU A 71 10.832 3.142 -3.544 1.00 0.00 C ATOM 0 H LEU A 71 8.978 6.302 -5.552 1.00 0.00 H new ATOM 0 HA LEU A 71 10.655 3.962 -6.233 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.847 4.038 -5.089 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.817 2.615 -5.412 1.00 0.00 H new ATOM 0 HG LEU A 71 9.461 4.737 -3.331 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.823 2.947 -1.715 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.463 3.384 -2.775 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.381 1.890 -3.077 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.167 3.193 -2.508 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.845 2.105 -3.879 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.499 3.734 -4.170 1.00 0.00 H new ATOM 187 N GLU A 72 8.978 5.599 -8.168 1.00 0.00 N ATOM 188 CA GLU A 72 8.536 5.785 -9.541 1.00 0.00 C ATOM 189 C GLU A 72 9.717 6.249 -10.396 1.00 0.00 C ATOM 190 O GLU A 72 9.744 5.963 -11.596 1.00 0.00 O ATOM 191 CB GLU A 72 7.368 6.790 -9.571 1.00 0.00 C ATOM 192 CG GLU A 72 7.051 7.291 -10.985 1.00 0.00 C ATOM 193 CD GLU A 72 5.724 8.034 -11.071 1.00 0.00 C ATOM 194 OE1 GLU A 72 5.709 9.271 -10.893 1.00 0.00 O ATOM 195 OE2 GLU A 72 4.690 7.373 -11.346 1.00 0.00 O ATOM 0 H GLU A 72 9.262 6.475 -7.730 1.00 0.00 H new ATOM 0 HA GLU A 72 8.175 4.844 -9.957 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.479 6.320 -9.149 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.611 7.641 -8.935 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.852 7.950 -11.319 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.031 6.442 -11.669 1.00 0.00 H new ATOM 202 N PHE A 73 10.709 6.917 -9.788 1.00 0.00 N ATOM 203 CA PHE A 73 11.901 7.376 -10.491 1.00 0.00 C ATOM 204 C PHE A 73 12.626 6.194 -11.158 1.00 0.00 C ATOM 205 O PHE A 73 13.246 6.370 -12.209 1.00 0.00 O ATOM 206 CB PHE A 73 12.817 8.165 -9.525 1.00 0.00 C ATOM 207 CG PHE A 73 14.160 7.512 -9.271 1.00 0.00 C ATOM 208 CD1 PHE A 73 15.199 7.630 -10.212 1.00 0.00 C ATOM 209 CD2 PHE A 73 14.327 6.677 -8.157 1.00 0.00 C ATOM 210 CE1 PHE A 73 16.383 6.895 -10.060 1.00 0.00 C ATOM 211 CE2 PHE A 73 15.513 5.946 -8.003 1.00 0.00 C ATOM 212 CZ PHE A 73 16.538 6.042 -8.957 1.00 0.00 C ATOM 0 H PHE A 73 10.701 7.151 -8.795 1.00 0.00 H new ATOM 0 HA PHE A 73 11.609 8.057 -11.291 1.00 0.00 H new ATOM 0 HB2 PHE A 73 12.982 9.163 -9.932 1.00 0.00 H new ATOM 0 HB3 PHE A 73 12.301 8.290 -8.573 1.00 0.00 H new ATOM 0 HD1 PHE A 73 15.084 8.292 -11.058 1.00 0.00 H new ATOM 0 HD2 PHE A 73 13.543 6.597 -7.419 1.00 0.00 H new ATOM 0 HE1 PHE A 73 17.174 6.985 -10.790 1.00 0.00 H new ATOM 0 HE2 PHE A 73 15.639 5.304 -7.144 1.00 0.00 H new ATOM 0 HZ PHE A 73 17.442 5.462 -8.843 1.00 0.00 H new ATOM 222 N LEU A 74 12.537 5.005 -10.554 1.00 0.00 N ATOM 223 CA LEU A 74 13.123 3.758 -11.014 1.00 0.00 C ATOM 224 C LEU A 74 12.016 2.764 -11.350 1.00 0.00 C ATOM 225 O LEU A 74 10.877 2.875 -10.896 1.00 0.00 O ATOM 226 CB LEU A 74 14.173 3.242 -10.008 1.00 0.00 C ATOM 227 CG LEU A 74 13.695 2.536 -8.720 1.00 0.00 C ATOM 228 CD1 LEU A 74 14.880 2.310 -7.774 1.00 0.00 C ATOM 229 CD2 LEU A 74 12.604 3.248 -7.916 1.00 0.00 C ATOM 0 H LEU A 74 12.023 4.889 -9.681 1.00 0.00 H new ATOM 0 HA LEU A 74 13.678 3.916 -11.939 1.00 0.00 H new ATOM 0 HB2 LEU A 74 14.825 2.549 -10.540 1.00 0.00 H new ATOM 0 HB3 LEU A 74 14.787 4.092 -9.709 1.00 0.00 H new ATOM 0 HG LEU A 74 13.253 1.610 -9.089 1.00 0.00 H new ATOM 0 HD11 LEU A 74 14.533 1.812 -6.869 1.00 0.00 H new ATOM 0 HD12 LEU A 74 15.626 1.687 -8.268 1.00 0.00 H new ATOM 0 HD13 LEU A 74 15.325 3.270 -7.512 1.00 0.00 H new ATOM 0 HD21 LEU A 74 12.354 2.654 -7.037 1.00 0.00 H new ATOM 0 HD22 LEU A 74 12.964 4.228 -7.602 1.00 0.00 H new ATOM 0 HD23 LEU A 74 11.716 3.369 -8.536 1.00 0.00 H new ATOM 241 N LYS A 75 12.376 1.774 -12.156 1.00 0.00 N ATOM 242 CA LYS A 75 11.531 0.676 -12.613 1.00 0.00 C ATOM 243 C LYS A 75 12.232 -0.617 -12.237 1.00 0.00 C ATOM 244 O LYS A 75 13.218 -0.596 -11.502 1.00 0.00 O ATOM 245 CB LYS A 75 11.265 0.826 -14.123 1.00 0.00 C ATOM 246 CG LYS A 75 9.911 1.476 -14.415 1.00 0.00 C ATOM 247 CD LYS A 75 9.552 1.491 -15.912 1.00 0.00 C ATOM 248 CE LYS A 75 10.261 2.558 -16.757 1.00 0.00 C ATOM 249 NZ LYS A 75 11.677 2.259 -17.042 1.00 0.00 N ATOM 0 H LYS A 75 13.322 1.711 -12.531 1.00 0.00 H new ATOM 0 HA LYS A 75 10.549 0.678 -12.139 1.00 0.00 H new ATOM 0 HB2 LYS A 75 12.057 1.426 -14.571 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.303 -0.156 -14.595 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.134 0.942 -13.868 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.919 2.500 -14.040 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.781 0.511 -16.331 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.476 1.635 -16.007 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.728 2.672 -17.701 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.200 3.515 -16.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.933 2.647 -17.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.277 2.689 -16.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.820 1.229 -17.046 1.00 0.00 H new ATOM 263 N LYS A 76 11.718 -1.752 -12.715 1.00 0.00 N ATOM 264 CA LYS A 76 12.223 -3.105 -12.474 1.00 0.00 C ATOM 265 C LYS A 76 13.709 -3.321 -12.749 1.00 0.00 C ATOM 266 O LYS A 76 14.264 -4.357 -12.403 1.00 0.00 O ATOM 267 CB LYS A 76 11.381 -4.104 -13.255 1.00 0.00 C ATOM 268 CG LYS A 76 11.533 -4.184 -14.784 1.00 0.00 C ATOM 269 CD LYS A 76 10.832 -3.048 -15.546 1.00 0.00 C ATOM 270 CE LYS A 76 10.679 -3.366 -17.046 1.00 0.00 C ATOM 271 NZ LYS A 76 11.916 -3.117 -17.823 1.00 0.00 N ATOM 0 H LYS A 76 10.892 -1.752 -13.314 1.00 0.00 H new ATOM 0 HA LYS A 76 12.129 -3.263 -11.400 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.591 -5.095 -12.853 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.334 -3.888 -13.041 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.594 -4.174 -15.034 1.00 0.00 H new ATOM 0 HG3 LYS A 76 11.134 -5.138 -15.128 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.848 -2.873 -15.111 1.00 0.00 H new ATOM 0 HD3 LYS A 76 11.402 -2.126 -15.427 1.00 0.00 H new ATOM 0 HE2 LYS A 76 10.388 -4.410 -17.162 1.00 0.00 H new ATOM 0 HE3 LYS A 76 9.870 -2.762 -17.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 11.750 -3.349 -18.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.183 -2.115 -17.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.684 -3.712 -17.452 1.00 0.00 H new ATOM 285 N GLU A 77 14.332 -2.351 -13.392 1.00 0.00 N ATOM 286 CA GLU A 77 15.767 -2.082 -13.344 1.00 0.00 C ATOM 287 C GLU A 77 16.355 -2.322 -11.950 1.00 0.00 C ATOM 288 O GLU A 77 17.296 -3.098 -11.832 1.00 0.00 O ATOM 289 CB GLU A 77 16.058 -0.644 -13.794 1.00 0.00 C ATOM 290 CG GLU A 77 17.490 -0.563 -14.334 1.00 0.00 C ATOM 291 CD GLU A 77 17.783 0.788 -14.975 1.00 0.00 C ATOM 292 OE1 GLU A 77 17.053 1.154 -15.929 1.00 0.00 O ATOM 293 OE2 GLU A 77 18.745 1.466 -14.548 1.00 0.00 O ATOM 0 H GLU A 77 13.832 -1.695 -13.992 1.00 0.00 H new ATOM 0 HA GLU A 77 16.247 -2.781 -14.029 1.00 0.00 H new ATOM 0 HB2 GLU A 77 15.349 -0.341 -14.564 1.00 0.00 H new ATOM 0 HB3 GLU A 77 15.933 0.044 -12.957 1.00 0.00 H new ATOM 0 HG2 GLU A 77 18.194 -0.739 -13.521 1.00 0.00 H new ATOM 0 HG3 GLU A 77 17.646 -1.354 -15.068 1.00 0.00 H new ATOM 300 N GLU A 78 15.815 -1.664 -10.917 1.00 0.00 N ATOM 301 CA GLU A 78 16.347 -1.670 -9.557 1.00 0.00 C ATOM 302 C GLU A 78 15.211 -1.641 -8.523 1.00 0.00 C ATOM 303 O GLU A 78 15.399 -2.023 -7.379 1.00 0.00 O ATOM 304 CB GLU A 78 17.245 -0.441 -9.359 1.00 0.00 C ATOM 305 CG GLU A 78 18.456 -0.383 -10.294 1.00 0.00 C ATOM 306 CD GLU A 78 19.311 0.848 -10.013 1.00 0.00 C ATOM 307 OE1 GLU A 78 18.850 1.978 -10.290 1.00 0.00 O ATOM 308 OE2 GLU A 78 20.472 0.673 -9.573 1.00 0.00 O ATOM 0 H GLU A 78 14.972 -1.098 -11.011 1.00 0.00 H new ATOM 0 HA GLU A 78 16.923 -2.584 -9.413 1.00 0.00 H new ATOM 0 HB2 GLU A 78 16.646 0.458 -9.504 1.00 0.00 H new ATOM 0 HB3 GLU A 78 17.597 -0.426 -8.328 1.00 0.00 H new ATOM 0 HG2 GLU A 78 19.058 -1.283 -10.170 1.00 0.00 H new ATOM 0 HG3 GLU A 78 18.118 -0.366 -11.330 1.00 0.00 H new ATOM 315 N LEU A 79 13.985 -1.250 -8.894 1.00 0.00 N ATOM 316 CA LEU A 79 12.800 -1.389 -8.037 1.00 0.00 C ATOM 317 C LEU A 79 12.603 -2.852 -7.586 1.00 0.00 C ATOM 318 O LEU A 79 12.139 -3.129 -6.478 1.00 0.00 O ATOM 319 CB LEU A 79 11.586 -0.901 -8.844 1.00 0.00 C ATOM 320 CG LEU A 79 10.265 -0.829 -8.072 1.00 0.00 C ATOM 321 CD1 LEU A 79 10.264 0.229 -6.968 1.00 0.00 C ATOM 322 CD2 LEU A 79 9.157 -0.552 -9.086 1.00 0.00 C ATOM 0 H LEU A 79 13.786 -0.827 -9.800 1.00 0.00 H new ATOM 0 HA LEU A 79 12.923 -0.795 -7.132 1.00 0.00 H new ATOM 0 HB2 LEU A 79 11.810 0.090 -9.240 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.451 -1.563 -9.699 1.00 0.00 H new ATOM 0 HG LEU A 79 10.108 -1.778 -7.560 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.299 0.226 -6.462 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.052 0.005 -6.249 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.441 1.212 -7.405 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.198 -0.494 -8.571 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.355 0.393 -9.592 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.126 -1.357 -9.820 1.00 0.00 H new ATOM 334 N LYS A 80 12.944 -3.790 -8.469 1.00 0.00 N ATOM 335 CA LYS A 80 13.146 -5.218 -8.191 1.00 0.00 C ATOM 336 C LYS A 80 14.226 -5.418 -7.150 1.00 0.00 C ATOM 337 O LYS A 80 13.898 -5.964 -6.101 1.00 0.00 O ATOM 338 CB LYS A 80 13.458 -5.965 -9.497 1.00 0.00 C ATOM 339 CG LYS A 80 13.773 -7.456 -9.297 1.00 0.00 C ATOM 340 CD LYS A 80 12.591 -8.289 -8.764 1.00 0.00 C ATOM 341 CE LYS A 80 12.871 -8.854 -7.363 1.00 0.00 C ATOM 342 NZ LYS A 80 11.830 -9.820 -6.952 1.00 0.00 N ATOM 0 H LYS A 80 13.096 -3.565 -9.452 1.00 0.00 H new ATOM 0 HA LYS A 80 12.228 -5.635 -7.777 1.00 0.00 H new ATOM 0 HB2 LYS A 80 12.607 -5.870 -10.171 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.307 -5.486 -9.985 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.099 -7.877 -10.248 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.609 -7.549 -8.604 1.00 0.00 H new ATOM 0 HD2 LYS A 80 11.695 -7.669 -8.732 1.00 0.00 H new ATOM 0 HD3 LYS A 80 12.386 -9.110 -9.452 1.00 0.00 H new ATOM 0 HE2 LYS A 80 13.846 -9.342 -7.354 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.916 -8.038 -6.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 12.198 -10.424 -6.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 10.993 -9.305 -6.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 11.565 -10.412 -7.765 1.00 0.00 H new ATOM 356 N GLU A 81 15.467 -5.024 -7.408 1.00 0.00 N ATOM 357 CA GLU A 81 16.557 -5.200 -6.459 1.00 0.00 C ATOM 358 C GLU A 81 16.171 -4.635 -5.103 1.00 0.00 C ATOM 359 O GLU A 81 16.472 -5.267 -4.105 1.00 0.00 O ATOM 360 CB GLU A 81 17.873 -4.604 -6.978 1.00 0.00 C ATOM 361 CG GLU A 81 18.627 -5.580 -7.892 1.00 0.00 C ATOM 362 CD GLU A 81 17.780 -6.227 -8.996 1.00 0.00 C ATOM 363 OE1 GLU A 81 16.967 -5.544 -9.657 1.00 0.00 O ATOM 364 OE2 GLU A 81 17.935 -7.448 -9.231 1.00 0.00 O ATOM 0 H GLU A 81 15.745 -4.574 -8.280 1.00 0.00 H new ATOM 0 HA GLU A 81 16.734 -6.269 -6.341 1.00 0.00 H new ATOM 0 HB2 GLU A 81 17.664 -3.684 -7.524 1.00 0.00 H new ATOM 0 HB3 GLU A 81 18.507 -4.335 -6.133 1.00 0.00 H new ATOM 0 HG2 GLU A 81 19.458 -5.049 -8.357 1.00 0.00 H new ATOM 0 HG3 GLU A 81 19.058 -6.370 -7.277 1.00 0.00 H new ATOM 371 N PHE A 82 15.396 -3.553 -5.043 1.00 0.00 N ATOM 372 CA PHE A 82 14.916 -3.022 -3.788 1.00 0.00 C ATOM 373 C PHE A 82 14.104 -4.067 -3.029 1.00 0.00 C ATOM 374 O PHE A 82 14.481 -4.433 -1.925 1.00 0.00 O ATOM 375 CB PHE A 82 14.127 -1.728 -3.988 1.00 0.00 C ATOM 376 CG PHE A 82 13.965 -1.041 -2.657 1.00 0.00 C ATOM 377 CD1 PHE A 82 12.922 -1.421 -1.794 1.00 0.00 C ATOM 378 CD2 PHE A 82 14.942 -0.131 -2.221 1.00 0.00 C ATOM 379 CE1 PHE A 82 12.826 -0.854 -0.519 1.00 0.00 C ATOM 380 CE2 PHE A 82 14.852 0.436 -0.944 1.00 0.00 C ATOM 381 CZ PHE A 82 13.786 0.080 -0.110 1.00 0.00 C ATOM 0 H PHE A 82 15.090 -3.029 -5.863 1.00 0.00 H new ATOM 0 HA PHE A 82 15.785 -2.772 -3.179 1.00 0.00 H new ATOM 0 HB2 PHE A 82 14.647 -1.074 -4.688 1.00 0.00 H new ATOM 0 HB3 PHE A 82 13.150 -1.946 -4.421 1.00 0.00 H new ATOM 0 HD1 PHE A 82 12.194 -2.151 -2.116 1.00 0.00 H new ATOM 0 HD2 PHE A 82 15.763 0.132 -2.871 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.020 -1.134 0.143 1.00 0.00 H new ATOM 0 HE2 PHE A 82 15.597 1.141 -0.606 1.00 0.00 H new ATOM 0 HZ PHE A 82 13.702 0.534 0.866 1.00 0.00 H new ATOM 391 N GLN A 83 13.003 -4.572 -3.598 1.00 0.00 N ATOM 392 CA GLN A 83 12.161 -5.556 -2.911 1.00 0.00 C ATOM 393 C GLN A 83 12.888 -6.886 -2.647 1.00 0.00 C ATOM 394 O GLN A 83 12.401 -7.722 -1.885 1.00 0.00 O ATOM 395 CB GLN A 83 10.857 -5.806 -3.684 1.00 0.00 C ATOM 396 CG GLN A 83 11.058 -6.404 -5.079 1.00 0.00 C ATOM 397 CD GLN A 83 9.832 -7.169 -5.541 1.00 0.00 C ATOM 398 OE1 GLN A 83 9.867 -8.390 -5.639 1.00 0.00 O ATOM 399 NE2 GLN A 83 8.730 -6.511 -5.832 1.00 0.00 N ATOM 0 H GLN A 83 12.676 -4.316 -4.530 1.00 0.00 H new ATOM 0 HA GLN A 83 11.920 -5.124 -1.940 1.00 0.00 H new ATOM 0 HB2 GLN A 83 10.225 -6.477 -3.101 1.00 0.00 H new ATOM 0 HB3 GLN A 83 10.318 -4.863 -3.779 1.00 0.00 H new ATOM 0 HG2 GLN A 83 11.279 -5.607 -5.789 1.00 0.00 H new ATOM 0 HG3 GLN A 83 11.921 -7.070 -5.069 1.00 0.00 H new ATOM 0 HE21 GLN A 83 8.706 -5.495 -5.749 1.00 0.00 H new ATOM 0 HE22 GLN A 83 7.900 -7.017 -6.141 1.00 0.00 H new ATOM 408 N LEU A 84 14.027 -7.114 -3.296 1.00 0.00 N ATOM 409 CA LEU A 84 14.842 -8.300 -3.143 1.00 0.00 C ATOM 410 C LEU A 84 15.799 -8.094 -1.982 1.00 0.00 C ATOM 411 O LEU A 84 15.698 -8.780 -0.966 1.00 0.00 O ATOM 412 CB LEU A 84 15.427 -8.664 -4.515 1.00 0.00 C ATOM 413 CG LEU A 84 16.946 -8.700 -4.770 1.00 0.00 C ATOM 414 CD1 LEU A 84 17.648 -9.735 -3.884 1.00 0.00 C ATOM 415 CD2 LEU A 84 17.177 -9.082 -6.238 1.00 0.00 C ATOM 0 H LEU A 84 14.415 -6.449 -3.965 1.00 0.00 H new ATOM 0 HA LEU A 84 14.286 -9.191 -2.852 1.00 0.00 H new ATOM 0 HB2 LEU A 84 15.042 -9.651 -4.769 1.00 0.00 H new ATOM 0 HB3 LEU A 84 15.004 -7.962 -5.234 1.00 0.00 H new ATOM 0 HG LEU A 84 17.357 -7.718 -4.538 1.00 0.00 H new ATOM 0 HD11 LEU A 84 18.717 -9.729 -4.095 1.00 0.00 H new ATOM 0 HD12 LEU A 84 17.483 -9.488 -2.835 1.00 0.00 H new ATOM 0 HD13 LEU A 84 17.243 -10.726 -4.091 1.00 0.00 H new ATOM 0 HD21 LEU A 84 18.247 -9.114 -6.442 1.00 0.00 H new ATOM 0 HD22 LEU A 84 16.742 -10.062 -6.432 1.00 0.00 H new ATOM 0 HD23 LEU A 84 16.706 -8.342 -6.885 1.00 0.00 H new ATOM 427 N LEU A 85 16.672 -7.097 -2.095 1.00 0.00 N ATOM 428 CA LEU A 85 17.665 -6.746 -1.099 1.00 0.00 C ATOM 429 C LEU A 85 16.980 -6.359 0.218 1.00 0.00 C ATOM 430 O LEU A 85 17.567 -6.447 1.295 1.00 0.00 O ATOM 431 CB LEU A 85 18.543 -5.590 -1.622 1.00 0.00 C ATOM 432 CG LEU A 85 19.378 -5.908 -2.880 1.00 0.00 C ATOM 433 CD1 LEU A 85 19.997 -4.631 -3.454 1.00 0.00 C ATOM 434 CD2 LEU A 85 20.471 -6.936 -2.601 1.00 0.00 C ATOM 0 H LEU A 85 16.704 -6.492 -2.916 1.00 0.00 H new ATOM 0 HA LEU A 85 18.304 -7.608 -0.909 1.00 0.00 H new ATOM 0 HB2 LEU A 85 17.899 -4.738 -1.840 1.00 0.00 H new ATOM 0 HB3 LEU A 85 19.220 -5.282 -0.826 1.00 0.00 H new ATOM 0 HG LEU A 85 18.696 -6.339 -3.613 1.00 0.00 H new ATOM 0 HD11 LEU A 85 20.582 -4.877 -4.340 1.00 0.00 H new ATOM 0 HD12 LEU A 85 19.205 -3.932 -3.724 1.00 0.00 H new ATOM 0 HD13 LEU A 85 20.646 -4.173 -2.707 1.00 0.00 H new ATOM 0 HD21 LEU A 85 21.032 -7.128 -3.516 1.00 0.00 H new ATOM 0 HD22 LEU A 85 21.145 -6.552 -1.835 1.00 0.00 H new ATOM 0 HD23 LEU A 85 20.017 -7.864 -2.252 1.00 0.00 H new ATOM 446 N LEU A 86 15.706 -5.984 0.152 1.00 0.00 N ATOM 447 CA LEU A 86 14.852 -5.711 1.296 1.00 0.00 C ATOM 448 C LEU A 86 14.789 -6.953 2.175 1.00 0.00 C ATOM 449 O LEU A 86 15.226 -6.949 3.330 1.00 0.00 O ATOM 450 CB LEU A 86 13.470 -5.289 0.770 1.00 0.00 C ATOM 451 CG LEU A 86 12.327 -5.346 1.787 1.00 0.00 C ATOM 452 CD1 LEU A 86 12.686 -4.516 3.015 1.00 0.00 C ATOM 453 CD2 LEU A 86 11.052 -4.826 1.120 1.00 0.00 C ATOM 0 H LEU A 86 15.224 -5.858 -0.738 1.00 0.00 H new ATOM 0 HA LEU A 86 15.244 -4.900 1.910 1.00 0.00 H new ATOM 0 HB2 LEU A 86 13.542 -4.270 0.389 1.00 0.00 H new ATOM 0 HB3 LEU A 86 13.212 -5.928 -0.075 1.00 0.00 H new ATOM 0 HG LEU A 86 12.161 -6.372 2.116 1.00 0.00 H new ATOM 0 HD11 LEU A 86 11.869 -4.560 3.735 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.593 -4.913 3.470 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.853 -3.480 2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.228 -4.861 1.833 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.206 -3.798 0.793 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.812 -5.449 0.258 1.00 0.00 H new ATOM 465 N ALA A 87 14.279 -8.046 1.608 1.00 0.00 N ATOM 466 CA ALA A 87 14.168 -9.308 2.313 1.00 0.00 C ATOM 467 C ALA A 87 15.552 -9.851 2.692 1.00 0.00 C ATOM 468 O ALA A 87 15.665 -10.664 3.606 1.00 0.00 O ATOM 469 CB ALA A 87 13.429 -10.305 1.420 1.00 0.00 C ATOM 0 H ALA A 87 13.934 -8.074 0.649 1.00 0.00 H new ATOM 0 HA ALA A 87 13.612 -9.156 3.238 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.338 -11.260 1.938 1.00 0.00 H new ATOM 0 HB2 ALA A 87 12.435 -9.921 1.190 1.00 0.00 H new ATOM 0 HB3 ALA A 87 13.986 -10.446 0.494 1.00 0.00 H new ATOM 475 N ASN A 88 16.608 -9.406 2.004 1.00 0.00 N ATOM 476 CA ASN A 88 17.987 -9.831 2.244 1.00 0.00 C ATOM 477 C ASN A 88 18.558 -9.246 3.542 1.00 0.00 C ATOM 478 O ASN A 88 19.445 -9.857 4.138 1.00 0.00 O ATOM 479 CB ASN A 88 18.864 -9.449 1.045 1.00 0.00 C ATOM 480 CG ASN A 88 20.260 -10.044 1.122 1.00 0.00 C ATOM 481 OD1 ASN A 88 20.418 -11.249 1.275 1.00 0.00 O ATOM 482 ND2 ASN A 88 21.280 -9.226 0.950 1.00 0.00 N ATOM 0 H ASN A 88 16.524 -8.726 1.249 1.00 0.00 H new ATOM 0 HA ASN A 88 17.985 -10.915 2.361 1.00 0.00 H new ATOM 0 HB2 ASN A 88 18.382 -9.784 0.127 1.00 0.00 H new ATOM 0 HB3 ASN A 88 18.940 -8.363 0.988 1.00 0.00 H new ATOM 0 HD21 ASN A 88 22.232 -9.592 0.942 1.00 0.00 H new ATOM 0 HD22 ASN A 88 21.117 -8.227 0.825 1.00 0.00 H new ATOM 489 N LYS A 89 18.051 -8.097 4.011 1.00 0.00 N ATOM 490 CA LYS A 89 18.309 -7.593 5.359 1.00 0.00 C ATOM 491 C LYS A 89 17.294 -8.204 6.329 1.00 0.00 C ATOM 492 O LYS A 89 17.679 -8.530 7.448 1.00 0.00 O ATOM 493 CB LYS A 89 18.285 -6.047 5.334 1.00 0.00 C ATOM 494 CG LYS A 89 17.970 -5.338 6.663 1.00 0.00 C ATOM 495 CD LYS A 89 18.951 -5.511 7.839 1.00 0.00 C ATOM 496 CE LYS A 89 20.303 -4.838 7.566 1.00 0.00 C ATOM 497 NZ LYS A 89 20.913 -4.257 8.785 1.00 0.00 N ATOM 0 H LYS A 89 17.446 -7.490 3.458 1.00 0.00 H new ATOM 0 HA LYS A 89 19.297 -7.889 5.711 1.00 0.00 H new ATOM 0 HB2 LYS A 89 19.256 -5.697 4.984 1.00 0.00 H new ATOM 0 HB3 LYS A 89 17.548 -5.730 4.596 1.00 0.00 H new ATOM 0 HG2 LYS A 89 17.884 -4.271 6.457 1.00 0.00 H new ATOM 0 HG3 LYS A 89 16.990 -5.679 6.996 1.00 0.00 H new ATOM 0 HD2 LYS A 89 18.512 -5.088 8.742 1.00 0.00 H new ATOM 0 HD3 LYS A 89 19.107 -6.573 8.028 1.00 0.00 H new ATOM 0 HE2 LYS A 89 20.987 -5.570 7.136 1.00 0.00 H new ATOM 0 HE3 LYS A 89 20.169 -4.052 6.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 21.823 -3.816 8.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 20.276 -3.538 9.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 21.069 -5.008 9.487 1.00 0.00 H new ATOM 511 N ALA A 90 16.016 -8.308 5.940 1.00 0.00 N ATOM 512 CA ALA A 90 14.933 -8.723 6.832 1.00 0.00 C ATOM 513 C ALA A 90 15.114 -10.155 7.363 1.00 0.00 C ATOM 514 O ALA A 90 15.926 -10.937 6.863 1.00 0.00 O ATOM 515 CB ALA A 90 13.589 -8.583 6.109 1.00 0.00 C ATOM 0 H ALA A 90 15.706 -8.104 4.990 1.00 0.00 H new ATOM 0 HA ALA A 90 14.956 -8.066 7.702 1.00 0.00 H new ATOM 0 HB1 ALA A 90 12.784 -8.893 6.775 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.439 -7.543 5.817 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.587 -9.213 5.220 1.00 0.00 H new ATOM 712 N LYS A 105 3.607 -7.575 -8.126 1.00 0.00 N ATOM 713 CA LYS A 105 3.522 -6.180 -7.752 1.00 0.00 C ATOM 714 C LYS A 105 4.937 -5.642 -7.857 1.00 0.00 C ATOM 715 O LYS A 105 5.818 -6.091 -7.123 1.00 0.00 O ATOM 716 CB LYS A 105 2.924 -5.988 -6.346 1.00 0.00 C ATOM 717 CG LYS A 105 1.502 -6.563 -6.171 1.00 0.00 C ATOM 718 CD LYS A 105 1.523 -8.018 -5.683 1.00 0.00 C ATOM 719 CE LYS A 105 0.135 -8.572 -5.370 1.00 0.00 C ATOM 720 NZ LYS A 105 -0.666 -8.918 -6.564 1.00 0.00 N ATOM 0 HA LYS A 105 2.845 -5.635 -8.410 1.00 0.00 H new ATOM 0 HB2 LYS A 105 3.584 -6.458 -5.617 1.00 0.00 H new ATOM 0 HB3 LYS A 105 2.902 -4.923 -6.117 1.00 0.00 H new ATOM 0 HG2 LYS A 105 0.949 -5.950 -5.459 1.00 0.00 H new ATOM 0 HG3 LYS A 105 0.970 -6.507 -7.121 1.00 0.00 H new ATOM 0 HD2 LYS A 105 1.992 -8.642 -6.444 1.00 0.00 H new ATOM 0 HD3 LYS A 105 2.143 -8.085 -4.789 1.00 0.00 H new ATOM 0 HE2 LYS A 105 0.243 -9.461 -4.749 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -0.412 -7.837 -4.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -1.592 -9.286 -6.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -0.803 -8.069 -7.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -0.167 -9.643 -7.118 1.00 0.00 H new ATOM 734 N THR A 106 5.176 -4.726 -8.790 1.00 0.00 N ATOM 735 CA THR A 106 6.378 -3.909 -8.815 1.00 0.00 C ATOM 736 C THR A 106 5.920 -2.506 -9.228 1.00 0.00 C ATOM 737 O THR A 106 6.073 -2.041 -10.360 1.00 0.00 O ATOM 738 CB THR A 106 7.517 -4.608 -9.596 1.00 0.00 C ATOM 739 OG1 THR A 106 8.740 -3.923 -9.427 1.00 0.00 O ATOM 740 CG2 THR A 106 7.280 -4.849 -11.088 1.00 0.00 C ATOM 0 H THR A 106 4.532 -4.530 -9.557 1.00 0.00 H new ATOM 0 HA THR A 106 6.874 -3.784 -7.852 1.00 0.00 H new ATOM 0 HB THR A 106 7.548 -5.601 -9.148 1.00 0.00 H new ATOM 0 HG1 THR A 106 9.445 -4.384 -9.928 1.00 0.00 H new ATOM 0 HG21 THR A 106 8.150 -5.344 -11.519 1.00 0.00 H new ATOM 0 HG22 THR A 106 6.401 -5.480 -11.220 1.00 0.00 H new ATOM 0 HG23 THR A 106 7.120 -3.895 -11.590 1.00 0.00 H new ATOM 748 N SER A 107 5.266 -1.840 -8.274 1.00 0.00 N ATOM 749 CA SER A 107 4.743 -0.496 -8.406 1.00 0.00 C ATOM 750 C SER A 107 5.000 0.212 -7.085 1.00 0.00 C ATOM 751 O SER A 107 4.744 -0.372 -6.028 1.00 0.00 O ATOM 752 CB SER A 107 3.235 -0.542 -8.650 1.00 0.00 C ATOM 753 OG SER A 107 2.877 -1.394 -9.721 1.00 0.00 O ATOM 0 H SER A 107 5.084 -2.246 -7.356 1.00 0.00 H new ATOM 0 HA SER A 107 5.219 0.018 -9.241 1.00 0.00 H new ATOM 0 HB2 SER A 107 2.735 -0.879 -7.742 1.00 0.00 H new ATOM 0 HB3 SER A 107 2.875 0.466 -8.858 1.00 0.00 H new ATOM 0 HG SER A 107 1.903 -1.388 -9.833 1.00 0.00 H new ATOM 759 N GLY A 108 5.452 1.463 -7.147 1.00 0.00 N ATOM 760 CA GLY A 108 5.865 2.229 -5.980 1.00 0.00 C ATOM 761 C GLY A 108 4.772 2.284 -4.920 1.00 0.00 C ATOM 762 O GLY A 108 4.990 1.872 -3.789 1.00 0.00 O ATOM 0 H GLY A 108 5.542 1.977 -8.023 1.00 0.00 H new ATOM 0 HA2 GLY A 108 6.763 1.783 -5.552 1.00 0.00 H new ATOM 0 HA3 GLY A 108 6.126 3.242 -6.285 1.00 0.00 H new ATOM 766 N MET A 109 3.574 2.733 -5.293 1.00 0.00 N ATOM 767 CA MET A 109 2.427 2.898 -4.405 1.00 0.00 C ATOM 768 C MET A 109 1.885 1.576 -3.850 1.00 0.00 C ATOM 769 O MET A 109 1.128 1.577 -2.877 1.00 0.00 O ATOM 770 CB MET A 109 1.337 3.653 -5.176 1.00 0.00 C ATOM 771 CG MET A 109 1.016 3.070 -6.562 1.00 0.00 C ATOM 772 SD MET A 109 -0.724 2.710 -6.890 1.00 0.00 S ATOM 773 CE MET A 109 -0.913 1.358 -5.715 1.00 0.00 C ATOM 0 H MET A 109 3.370 3.001 -6.256 1.00 0.00 H new ATOM 0 HA MET A 109 2.752 3.462 -3.531 1.00 0.00 H new ATOM 0 HB2 MET A 109 0.425 3.659 -4.579 1.00 0.00 H new ATOM 0 HB3 MET A 109 1.647 4.691 -5.295 1.00 0.00 H new ATOM 0 HG2 MET A 109 1.370 3.770 -7.319 1.00 0.00 H new ATOM 0 HG3 MET A 109 1.586 2.150 -6.687 1.00 0.00 H new ATOM 0 HE1 MET A 109 -1.856 0.844 -5.900 1.00 0.00 H new ATOM 0 HE2 MET A 109 -0.088 0.656 -5.833 1.00 0.00 H new ATOM 0 HE3 MET A 109 -0.910 1.755 -4.700 1.00 0.00 H new ATOM 783 N GLU A 110 2.245 0.454 -4.471 1.00 0.00 N ATOM 784 CA GLU A 110 1.796 -0.860 -4.041 1.00 0.00 C ATOM 785 C GLU A 110 2.761 -1.384 -2.991 1.00 0.00 C ATOM 786 O GLU A 110 2.362 -1.552 -1.841 1.00 0.00 O ATOM 787 CB GLU A 110 1.648 -1.810 -5.243 1.00 0.00 C ATOM 788 CG GLU A 110 0.672 -2.961 -4.961 1.00 0.00 C ATOM 789 CD GLU A 110 1.086 -3.882 -3.808 1.00 0.00 C ATOM 790 OE1 GLU A 110 2.272 -4.264 -3.747 1.00 0.00 O ATOM 791 OE2 GLU A 110 0.182 -4.263 -3.032 1.00 0.00 O ATOM 0 H GLU A 110 2.857 0.435 -5.287 1.00 0.00 H new ATOM 0 HA GLU A 110 0.806 -0.792 -3.591 1.00 0.00 H new ATOM 0 HB2 GLU A 110 1.300 -1.246 -6.108 1.00 0.00 H new ATOM 0 HB3 GLU A 110 2.624 -2.220 -5.501 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -0.309 -2.541 -4.739 1.00 0.00 H new ATOM 0 HG3 GLU A 110 0.565 -3.559 -5.866 1.00 0.00 H new ATOM 798 N VAL A 111 4.039 -1.541 -3.354 1.00 0.00 N ATOM 799 CA VAL A 111 5.100 -1.952 -2.439 1.00 0.00 C ATOM 800 C VAL A 111 5.122 -1.000 -1.224 1.00 0.00 C ATOM 801 O VAL A 111 5.448 -1.422 -0.115 1.00 0.00 O ATOM 802 CB VAL A 111 6.433 -2.041 -3.213 1.00 0.00 C ATOM 803 CG1 VAL A 111 7.577 -2.430 -2.267 1.00 0.00 C ATOM 804 CG2 VAL A 111 6.346 -3.079 -4.363 1.00 0.00 C ATOM 0 H VAL A 111 4.366 -1.383 -4.307 1.00 0.00 H new ATOM 0 HA VAL A 111 4.921 -2.948 -2.035 1.00 0.00 H new ATOM 0 HB VAL A 111 6.631 -1.058 -3.641 1.00 0.00 H new ATOM 0 HG11 VAL A 111 8.509 -2.488 -2.828 1.00 0.00 H new ATOM 0 HG12 VAL A 111 7.672 -1.679 -1.483 1.00 0.00 H new ATOM 0 HG13 VAL A 111 7.363 -3.399 -1.817 1.00 0.00 H new ATOM 0 HG21 VAL A 111 7.299 -3.119 -4.890 1.00 0.00 H new ATOM 0 HG22 VAL A 111 6.118 -4.062 -3.950 1.00 0.00 H new ATOM 0 HG23 VAL A 111 5.559 -2.786 -5.058 1.00 0.00 H new ATOM 814 N ALA A 112 4.683 0.252 -1.392 1.00 0.00 N ATOM 815 CA ALA A 112 4.449 1.200 -0.321 1.00 0.00 C ATOM 816 C ALA A 112 3.362 0.776 0.665 1.00 0.00 C ATOM 817 O ALA A 112 3.631 0.683 1.868 1.00 0.00 O ATOM 818 CB ALA A 112 4.137 2.567 -0.920 1.00 0.00 C ATOM 0 H ALA A 112 4.477 0.637 -2.314 1.00 0.00 H new ATOM 0 HA ALA A 112 5.365 1.243 0.269 1.00 0.00 H new ATOM 0 HB1 ALA A 112 3.960 3.284 -0.118 1.00 0.00 H new ATOM 0 HB2 ALA A 112 4.980 2.900 -1.525 1.00 0.00 H new ATOM 0 HB3 ALA A 112 3.247 2.496 -1.546 1.00 0.00 H new ATOM 824 N SER A 113 2.142 0.525 0.178 1.00 0.00 N ATOM 825 CA SER A 113 1.051 -0.003 0.989 1.00 0.00 C ATOM 826 C SER A 113 1.490 -1.300 1.665 1.00 0.00 C ATOM 827 O SER A 113 1.113 -1.555 2.808 1.00 0.00 O ATOM 828 CB SER A 113 -0.175 -0.239 0.090 1.00 0.00 C ATOM 829 OG SER A 113 -1.285 -0.748 0.811 1.00 0.00 O ATOM 0 H SER A 113 1.887 0.685 -0.797 1.00 0.00 H new ATOM 0 HA SER A 113 0.785 0.712 1.768 1.00 0.00 H new ATOM 0 HB2 SER A 113 -0.456 0.699 -0.390 1.00 0.00 H new ATOM 0 HB3 SER A 113 0.090 -0.937 -0.704 1.00 0.00 H new ATOM 0 HG SER A 113 -2.039 -0.880 0.200 1.00 0.00 H new ATOM 835 N TYR A 114 2.256 -2.116 0.945 1.00 0.00 N ATOM 836 CA TYR A 114 2.629 -3.460 1.342 1.00 0.00 C ATOM 837 C TYR A 114 3.630 -3.398 2.496 1.00 0.00 C ATOM 838 O TYR A 114 3.437 -4.082 3.495 1.00 0.00 O ATOM 839 CB TYR A 114 3.152 -4.197 0.102 1.00 0.00 C ATOM 840 CG TYR A 114 4.072 -5.365 0.378 1.00 0.00 C ATOM 841 CD1 TYR A 114 5.448 -5.125 0.547 1.00 0.00 C ATOM 842 CD2 TYR A 114 3.571 -6.678 0.451 1.00 0.00 C ATOM 843 CE1 TYR A 114 6.312 -6.180 0.869 1.00 0.00 C ATOM 844 CE2 TYR A 114 4.442 -7.746 0.741 1.00 0.00 C ATOM 845 CZ TYR A 114 5.812 -7.498 0.988 1.00 0.00 C ATOM 846 OH TYR A 114 6.629 -8.502 1.410 1.00 0.00 O ATOM 0 H TYR A 114 2.644 -1.846 0.041 1.00 0.00 H new ATOM 0 HA TYR A 114 1.776 -4.023 1.720 1.00 0.00 H new ATOM 0 HB2 TYR A 114 2.298 -4.557 -0.472 1.00 0.00 H new ATOM 0 HB3 TYR A 114 3.681 -3.482 -0.528 1.00 0.00 H new ATOM 0 HD1 TYR A 114 5.839 -4.125 0.428 1.00 0.00 H new ATOM 0 HD2 TYR A 114 2.521 -6.866 0.285 1.00 0.00 H new ATOM 0 HE1 TYR A 114 7.363 -5.986 1.027 1.00 0.00 H new ATOM 0 HE2 TYR A 114 4.063 -8.757 0.775 1.00 0.00 H new ATOM 0 HH TYR A 114 6.127 -9.343 1.437 1.00 0.00 H new ATOM 856 N LEU A 115 4.674 -2.566 2.410 1.00 0.00 N ATOM 857 CA LEU A 115 5.668 -2.444 3.476 1.00 0.00 C ATOM 858 C LEU A 115 5.009 -1.974 4.767 1.00 0.00 C ATOM 859 O LEU A 115 5.234 -2.568 5.821 1.00 0.00 O ATOM 860 CB LEU A 115 6.786 -1.458 3.091 1.00 0.00 C ATOM 861 CG LEU A 115 8.040 -2.069 2.456 1.00 0.00 C ATOM 862 CD1 LEU A 115 9.149 -1.015 2.342 1.00 0.00 C ATOM 863 CD2 LEU A 115 8.605 -3.222 3.287 1.00 0.00 C ATOM 0 H LEU A 115 4.851 -1.964 1.606 1.00 0.00 H new ATOM 0 HA LEU A 115 6.108 -3.430 3.626 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.373 -0.726 2.397 1.00 0.00 H new ATOM 0 HB3 LEU A 115 7.086 -0.914 3.987 1.00 0.00 H new ATOM 0 HG LEU A 115 7.736 -2.437 1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 115 10.033 -1.464 1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 115 8.803 -0.189 1.721 1.00 0.00 H new ATOM 0 HD13 LEU A 115 9.400 -0.642 3.335 1.00 0.00 H new ATOM 0 HD21 LEU A 115 9.492 -3.623 2.797 1.00 0.00 H new ATOM 0 HD22 LEU A 115 8.871 -2.859 4.280 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.855 -4.007 3.377 1.00 0.00 H new ATOM 875 N VAL A 116 4.204 -0.915 4.676 1.00 0.00 N ATOM 876 CA VAL A 116 3.497 -0.354 5.824 1.00 0.00 C ATOM 877 C VAL A 116 2.539 -1.402 6.409 1.00 0.00 C ATOM 878 O VAL A 116 2.407 -1.473 7.633 1.00 0.00 O ATOM 879 CB VAL A 116 2.798 0.966 5.425 1.00 0.00 C ATOM 880 CG1 VAL A 116 2.004 1.591 6.584 1.00 0.00 C ATOM 881 CG2 VAL A 116 3.827 2.014 4.967 1.00 0.00 C ATOM 0 H VAL A 116 4.025 -0.422 3.801 1.00 0.00 H new ATOM 0 HA VAL A 116 4.203 -0.100 6.615 1.00 0.00 H new ATOM 0 HB VAL A 116 2.115 0.702 4.618 1.00 0.00 H new ATOM 0 HG11 VAL A 116 1.535 2.515 6.247 1.00 0.00 H new ATOM 0 HG12 VAL A 116 1.235 0.894 6.916 1.00 0.00 H new ATOM 0 HG13 VAL A 116 2.679 1.808 7.412 1.00 0.00 H new ATOM 0 HG21 VAL A 116 3.311 2.934 4.691 1.00 0.00 H new ATOM 0 HG22 VAL A 116 4.524 2.218 5.779 1.00 0.00 H new ATOM 0 HG23 VAL A 116 4.375 1.633 4.105 1.00 0.00 H new ATOM 891 N ALA A 117 1.877 -2.210 5.573 1.00 0.00 N ATOM 892 CA ALA A 117 1.019 -3.296 6.026 1.00 0.00 C ATOM 893 C ALA A 117 1.833 -4.369 6.755 1.00 0.00 C ATOM 894 O ALA A 117 1.427 -4.812 7.826 1.00 0.00 O ATOM 895 CB ALA A 117 0.261 -3.897 4.837 1.00 0.00 C ATOM 0 H ALA A 117 1.926 -2.123 4.558 1.00 0.00 H new ATOM 0 HA ALA A 117 0.294 -2.894 6.733 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -0.378 -4.708 5.185 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -0.353 -3.127 4.370 1.00 0.00 H new ATOM 0 HB3 ALA A 117 0.974 -4.284 4.109 1.00 0.00 H new ATOM 901 N GLN A 118 2.937 -4.822 6.162 1.00 0.00 N ATOM 902 CA GLN A 118 3.736 -5.936 6.649 1.00 0.00 C ATOM 903 C GLN A 118 4.439 -5.593 7.953 1.00 0.00 C ATOM 904 O GLN A 118 4.255 -6.283 8.951 1.00 0.00 O ATOM 905 CB GLN A 118 4.773 -6.340 5.582 1.00 0.00 C ATOM 906 CG GLN A 118 4.184 -7.096 4.386 1.00 0.00 C ATOM 907 CD GLN A 118 3.940 -8.567 4.697 1.00 0.00 C ATOM 908 OE1 GLN A 118 4.540 -9.460 4.106 1.00 0.00 O ATOM 909 NE2 GLN A 118 2.970 -8.889 5.530 1.00 0.00 N ATOM 0 H GLN A 118 3.307 -4.410 5.306 1.00 0.00 H new ATOM 0 HA GLN A 118 3.064 -6.772 6.843 1.00 0.00 H new ATOM 0 HB2 GLN A 118 5.273 -5.442 5.219 1.00 0.00 H new ATOM 0 HB3 GLN A 118 5.536 -6.962 6.050 1.00 0.00 H new ATOM 0 HG2 GLN A 118 3.245 -6.629 4.090 1.00 0.00 H new ATOM 0 HG3 GLN A 118 4.862 -7.014 3.537 1.00 0.00 H new ATOM 0 HE21 GLN A 118 2.462 -8.158 6.028 1.00 0.00 H new ATOM 0 HE22 GLN A 118 2.727 -9.869 5.676 1.00 0.00 H new ATOM 918 N TYR A 119 5.297 -4.574 7.929 1.00 0.00 N ATOM 919 CA TYR A 119 6.222 -4.342 9.025 1.00 0.00 C ATOM 920 C TYR A 119 5.647 -3.350 10.034 1.00 0.00 C ATOM 921 O TYR A 119 6.139 -3.304 11.165 1.00 0.00 O ATOM 922 CB TYR A 119 7.569 -3.833 8.498 1.00 0.00 C ATOM 923 CG TYR A 119 8.362 -4.793 7.624 1.00 0.00 C ATOM 924 CD1 TYR A 119 8.036 -4.952 6.264 1.00 0.00 C ATOM 925 CD2 TYR A 119 9.464 -5.495 8.156 1.00 0.00 C ATOM 926 CE1 TYR A 119 8.777 -5.825 5.446 1.00 0.00 C ATOM 927 CE2 TYR A 119 10.229 -6.344 7.334 1.00 0.00 C ATOM 928 CZ TYR A 119 9.886 -6.521 5.975 1.00 0.00 C ATOM 929 OH TYR A 119 10.640 -7.339 5.188 1.00 0.00 O ATOM 0 H TYR A 119 5.367 -3.902 7.165 1.00 0.00 H new ATOM 0 HA TYR A 119 6.378 -5.294 9.532 1.00 0.00 H new ATOM 0 HB2 TYR A 119 7.390 -2.921 7.928 1.00 0.00 H new ATOM 0 HB3 TYR A 119 8.188 -3.559 9.352 1.00 0.00 H new ATOM 0 HD1 TYR A 119 7.209 -4.399 5.844 1.00 0.00 H new ATOM 0 HD2 TYR A 119 9.722 -5.381 9.199 1.00 0.00 H new ATOM 0 HE1 TYR A 119 8.497 -5.963 4.412 1.00 0.00 H new ATOM 0 HE2 TYR A 119 11.083 -6.863 7.744 1.00 0.00 H new ATOM 0 HH TYR A 119 10.627 -7.008 4.266 1.00 0.00 H new ATOM 939 N GLY A 120 4.647 -2.549 9.656 1.00 0.00 N ATOM 940 CA GLY A 120 4.281 -1.337 10.356 1.00 0.00 C ATOM 941 C GLY A 120 5.168 -0.193 9.869 1.00 0.00 C ATOM 942 O GLY A 120 6.178 -0.400 9.189 1.00 0.00 O ATOM 0 H GLY A 120 4.065 -2.737 8.839 1.00 0.00 H new ATOM 0 HA2 GLY A 120 3.232 -1.102 10.178 1.00 0.00 H new ATOM 0 HA3 GLY A 120 4.399 -1.473 11.431 1.00 0.00 H new ATOM 946 N GLU A 121 4.804 1.026 10.238 1.00 0.00 N ATOM 947 CA GLU A 121 5.243 2.250 9.568 1.00 0.00 C ATOM 948 C GLU A 121 6.740 2.549 9.741 1.00 0.00 C ATOM 949 O GLU A 121 7.309 3.176 8.853 1.00 0.00 O ATOM 950 CB GLU A 121 4.437 3.458 10.075 1.00 0.00 C ATOM 951 CG GLU A 121 2.903 3.271 10.110 1.00 0.00 C ATOM 952 CD GLU A 121 2.216 4.302 11.004 1.00 0.00 C ATOM 953 OE1 GLU A 121 2.758 4.627 12.086 1.00 0.00 O ATOM 954 OE2 GLU A 121 1.119 4.800 10.659 1.00 0.00 O ATOM 0 H GLU A 121 4.182 1.200 11.028 1.00 0.00 H new ATOM 0 HA GLU A 121 5.066 2.081 8.506 1.00 0.00 H new ATOM 0 HB2 GLU A 121 4.778 3.703 11.081 1.00 0.00 H new ATOM 0 HB3 GLU A 121 4.666 4.316 9.443 1.00 0.00 H new ATOM 0 HG2 GLU A 121 2.506 3.348 9.098 1.00 0.00 H new ATOM 0 HG3 GLU A 121 2.669 2.269 10.468 1.00 0.00 H new ATOM 961 N GLN A 122 7.389 2.135 10.842 1.00 0.00 N ATOM 962 CA GLN A 122 8.793 2.444 11.079 1.00 0.00 C ATOM 963 C GLN A 122 9.670 1.788 10.021 1.00 0.00 C ATOM 964 O GLN A 122 10.236 2.486 9.190 1.00 0.00 O ATOM 965 CB GLN A 122 9.259 1.977 12.458 1.00 0.00 C ATOM 966 CG GLN A 122 8.830 2.869 13.628 1.00 0.00 C ATOM 967 CD GLN A 122 9.818 2.791 14.805 1.00 0.00 C ATOM 968 OE1 GLN A 122 10.298 1.724 15.198 1.00 0.00 O ATOM 969 NE2 GLN A 122 10.222 3.923 15.352 1.00 0.00 N ATOM 0 H GLN A 122 6.953 1.583 11.581 1.00 0.00 H new ATOM 0 HA GLN A 122 8.888 3.529 11.028 1.00 0.00 H new ATOM 0 HB2 GLN A 122 8.878 0.970 12.631 1.00 0.00 H new ATOM 0 HB3 GLN A 122 10.347 1.910 12.453 1.00 0.00 H new ATOM 0 HG2 GLN A 122 8.753 3.902 13.287 1.00 0.00 H new ATOM 0 HG3 GLN A 122 7.838 2.570 13.967 1.00 0.00 H new ATOM 0 HE21 GLN A 122 9.832 4.810 15.035 1.00 0.00 H new ATOM 0 HE22 GLN A 122 10.924 3.910 16.092 1.00 0.00 H new ATOM 978 N ARG A 123 9.808 0.457 10.065 1.00 0.00 N ATOM 979 CA ARG A 123 10.703 -0.329 9.204 1.00 0.00 C ATOM 980 C ARG A 123 10.351 -0.117 7.742 1.00 0.00 C ATOM 981 O ARG A 123 11.228 -0.226 6.885 1.00 0.00 O ATOM 982 CB ARG A 123 10.628 -1.828 9.539 1.00 0.00 C ATOM 983 CG ARG A 123 11.363 -2.275 10.813 1.00 0.00 C ATOM 984 CD ARG A 123 10.619 -1.803 12.061 1.00 0.00 C ATOM 985 NE ARG A 123 11.146 -2.353 13.311 1.00 0.00 N ATOM 986 CZ ARG A 123 10.686 -2.018 14.522 1.00 0.00 C ATOM 987 NH1 ARG A 123 9.613 -1.239 14.667 1.00 0.00 N ATOM 988 NH2 ARG A 123 11.306 -2.482 15.595 1.00 0.00 N ATOM 0 H ARG A 123 9.284 -0.122 10.721 1.00 0.00 H new ATOM 0 HA ARG A 123 11.721 0.015 9.386 1.00 0.00 H new ATOM 0 HB2 ARG A 123 9.578 -2.106 9.633 1.00 0.00 H new ATOM 0 HB3 ARG A 123 11.032 -2.388 8.696 1.00 0.00 H new ATOM 0 HG2 ARG A 123 11.451 -3.361 10.825 1.00 0.00 H new ATOM 0 HG3 ARG A 123 12.376 -1.873 10.814 1.00 0.00 H new ATOM 0 HD2 ARG A 123 10.662 -0.715 12.108 1.00 0.00 H new ATOM 0 HD3 ARG A 123 9.568 -2.076 11.970 1.00 0.00 H new ATOM 0 HE ARG A 123 11.907 -3.030 13.256 1.00 0.00 H new ATOM 0 HH11 ARG A 123 9.125 -0.885 13.844 1.00 0.00 H new ATOM 0 HH12 ARG A 123 9.281 -0.997 15.601 1.00 0.00 H new ATOM 0 HH21 ARG A 123 12.122 -3.086 15.492 1.00 0.00 H new ATOM 0 HH22 ARG A 123 10.968 -2.236 16.525 1.00 0.00 H new ATOM 1002 N ALA A 124 9.098 0.242 7.469 1.00 0.00 N ATOM 1003 CA ALA A 124 8.668 0.555 6.120 1.00 0.00 C ATOM 1004 C ALA A 124 9.417 1.753 5.522 1.00 0.00 C ATOM 1005 O ALA A 124 9.331 1.974 4.317 1.00 0.00 O ATOM 1006 CB ALA A 124 7.155 0.783 6.110 1.00 0.00 C ATOM 0 H ALA A 124 8.364 0.322 8.173 1.00 0.00 H new ATOM 0 HA ALA A 124 8.911 -0.296 5.484 1.00 0.00 H new ATOM 0 HB1 ALA A 124 6.829 1.019 5.097 1.00 0.00 H new ATOM 0 HB2 ALA A 124 6.649 -0.119 6.453 1.00 0.00 H new ATOM 0 HB3 ALA A 124 6.908 1.612 6.773 1.00 0.00 H new ATOM 1012 N TRP A 125 10.150 2.531 6.322 1.00 0.00 N ATOM 1013 CA TRP A 125 11.197 3.428 5.854 1.00 0.00 C ATOM 1014 C TRP A 125 12.540 3.062 6.505 1.00 0.00 C ATOM 1015 O TRP A 125 13.508 2.800 5.816 1.00 0.00 O ATOM 1016 CB TRP A 125 10.748 4.877 6.067 1.00 0.00 C ATOM 1017 CG TRP A 125 11.148 5.883 5.028 1.00 0.00 C ATOM 1018 CD1 TRP A 125 11.598 7.121 5.317 1.00 0.00 C ATOM 1019 CD2 TRP A 125 11.120 5.813 3.563 1.00 0.00 C ATOM 1020 NE1 TRP A 125 11.804 7.831 4.159 1.00 0.00 N ATOM 1021 CE2 TRP A 125 11.496 7.091 3.043 1.00 0.00 C ATOM 1022 CE3 TRP A 125 10.775 4.826 2.611 1.00 0.00 C ATOM 1023 CZ2 TRP A 125 11.472 7.394 1.673 1.00 0.00 C ATOM 1024 CZ3 TRP A 125 10.756 5.117 1.234 1.00 0.00 C ATOM 1025 CH2 TRP A 125 11.080 6.399 0.766 1.00 0.00 C ATOM 0 H TRP A 125 10.026 2.552 7.334 1.00 0.00 H new ATOM 0 HA TRP A 125 11.365 3.317 4.783 1.00 0.00 H new ATOM 0 HB2 TRP A 125 9.661 4.885 6.143 1.00 0.00 H new ATOM 0 HB3 TRP A 125 11.137 5.213 7.028 1.00 0.00 H new ATOM 0 HD1 TRP A 125 11.771 7.499 6.314 1.00 0.00 H new ATOM 0 HE1 TRP A 125 12.145 8.792 4.131 1.00 0.00 H new ATOM 0 HE3 TRP A 125 10.522 3.831 2.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 11.751 8.377 1.323 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 10.489 4.344 0.529 1.00 0.00 H new ATOM 0 HH2 TRP A 125 11.028 6.619 -0.290 1.00 0.00 H new ATOM 1036 N ASP A 126 12.581 2.921 7.825 1.00 0.00 N ATOM 1037 CA ASP A 126 13.734 2.677 8.709 1.00 0.00 C ATOM 1038 C ASP A 126 14.578 1.433 8.372 1.00 0.00 C ATOM 1039 O ASP A 126 15.746 1.357 8.771 1.00 0.00 O ATOM 1040 CB ASP A 126 13.162 2.533 10.127 1.00 0.00 C ATOM 1041 CG ASP A 126 14.155 2.682 11.267 1.00 0.00 C ATOM 1042 OD1 ASP A 126 15.005 3.601 11.240 1.00 0.00 O ATOM 1043 OD2 ASP A 126 14.026 1.919 12.253 1.00 0.00 O ATOM 0 H ASP A 126 11.719 2.980 8.368 1.00 0.00 H new ATOM 0 HA ASP A 126 14.424 3.513 8.590 1.00 0.00 H new ATOM 0 HB2 ASP A 126 12.376 3.277 10.257 1.00 0.00 H new ATOM 0 HB3 ASP A 126 12.690 1.554 10.209 1.00 0.00 H new ATOM 1048 N LEU A 127 14.009 0.458 7.651 1.00 0.00 N ATOM 1049 CA LEU A 127 14.722 -0.674 7.057 1.00 0.00 C ATOM 1050 C LEU A 127 14.952 -0.371 5.574 1.00 0.00 C ATOM 1051 O LEU A 127 16.074 -0.471 5.088 1.00 0.00 O ATOM 1052 CB LEU A 127 13.949 -1.986 7.342 1.00 0.00 C ATOM 1053 CG LEU A 127 13.748 -2.982 6.177 1.00 0.00 C ATOM 1054 CD1 LEU A 127 15.087 -3.472 5.624 1.00 0.00 C ATOM 1055 CD2 LEU A 127 12.882 -4.162 6.643 1.00 0.00 C ATOM 0 H LEU A 127 13.007 0.437 7.461 1.00 0.00 H new ATOM 0 HA LEU A 127 15.706 -0.820 7.503 1.00 0.00 H new ATOM 0 HB2 LEU A 127 14.468 -2.511 8.144 1.00 0.00 H new ATOM 0 HB3 LEU A 127 12.964 -1.716 7.723 1.00 0.00 H new ATOM 0 HG LEU A 127 13.234 -2.465 5.367 1.00 0.00 H new ATOM 0 HD11 LEU A 127 14.909 -4.171 4.806 1.00 0.00 H new ATOM 0 HD12 LEU A 127 15.662 -2.622 5.256 1.00 0.00 H new ATOM 0 HD13 LEU A 127 15.646 -3.973 6.414 1.00 0.00 H new ATOM 0 HD21 LEU A 127 12.744 -4.860 5.818 1.00 0.00 H new ATOM 0 HD22 LEU A 127 13.376 -4.671 7.470 1.00 0.00 H new ATOM 0 HD23 LEU A 127 11.911 -3.793 6.972 1.00 0.00 H new ATOM 1067 N ALA A 128 13.904 0.061 4.875 1.00 0.00 N ATOM 1068 CA ALA A 128 13.926 0.437 3.464 1.00 0.00 C ATOM 1069 C ALA A 128 15.129 1.335 3.090 1.00 0.00 C ATOM 1070 O ALA A 128 15.803 1.099 2.089 1.00 0.00 O ATOM 1071 CB ALA A 128 12.585 1.112 3.119 1.00 0.00 C ATOM 0 H ALA A 128 12.979 0.162 5.294 1.00 0.00 H new ATOM 0 HA ALA A 128 14.054 -0.467 2.869 1.00 0.00 H new ATOM 0 HB1 ALA A 128 12.583 1.400 2.068 1.00 0.00 H new ATOM 0 HB2 ALA A 128 11.768 0.415 3.306 1.00 0.00 H new ATOM 0 HB3 ALA A 128 12.454 1.999 3.739 1.00 0.00 H new ATOM 1077 N LEU A 129 15.410 2.369 3.882 1.00 0.00 N ATOM 1078 CA LEU A 129 16.504 3.311 3.682 1.00 0.00 C ATOM 1079 C LEU A 129 17.854 2.600 3.632 1.00 0.00 C ATOM 1080 O LEU A 129 18.698 2.935 2.798 1.00 0.00 O ATOM 1081 CB LEU A 129 16.519 4.326 4.835 1.00 0.00 C ATOM 1082 CG LEU A 129 15.787 5.650 4.535 1.00 0.00 C ATOM 1083 CD1 LEU A 129 14.499 5.748 5.334 1.00 0.00 C ATOM 1084 CD2 LEU A 129 16.684 6.843 4.867 1.00 0.00 C ATOM 0 H LEU A 129 14.858 2.579 4.713 1.00 0.00 H new ATOM 0 HA LEU A 129 16.344 3.814 2.728 1.00 0.00 H new ATOM 0 HB2 LEU A 129 16.065 3.866 5.713 1.00 0.00 H new ATOM 0 HB3 LEU A 129 17.555 4.549 5.092 1.00 0.00 H new ATOM 0 HG LEU A 129 15.545 5.666 3.472 1.00 0.00 H new ATOM 0 HD11 LEU A 129 14.000 6.690 5.106 1.00 0.00 H new ATOM 0 HD12 LEU A 129 13.844 4.917 5.071 1.00 0.00 H new ATOM 0 HD13 LEU A 129 14.727 5.707 6.399 1.00 0.00 H new ATOM 0 HD21 LEU A 129 16.153 7.769 4.650 1.00 0.00 H new ATOM 0 HD22 LEU A 129 16.949 6.816 5.924 1.00 0.00 H new ATOM 0 HD23 LEU A 129 17.591 6.795 4.264 1.00 0.00 H new ATOM 1096 N HIS A 130 18.083 1.633 4.520 1.00 0.00 N ATOM 1097 CA HIS A 130 19.305 0.844 4.531 1.00 0.00 C ATOM 1098 C HIS A 130 19.435 0.087 3.212 1.00 0.00 C ATOM 1099 O HIS A 130 20.506 0.090 2.611 1.00 0.00 O ATOM 1100 CB HIS A 130 19.308 -0.084 5.750 1.00 0.00 C ATOM 1101 CG HIS A 130 20.315 -1.196 5.694 1.00 0.00 C ATOM 1102 ND1 HIS A 130 21.434 -1.296 6.480 1.00 0.00 N ATOM 1103 CD2 HIS A 130 20.291 -2.268 4.843 1.00 0.00 C ATOM 1104 CE1 HIS A 130 22.077 -2.413 6.123 1.00 0.00 C ATOM 1105 NE2 HIS A 130 21.413 -3.052 5.140 1.00 0.00 N ATOM 0 H HIS A 130 17.421 1.377 5.253 1.00 0.00 H new ATOM 0 HA HIS A 130 20.177 1.492 4.619 1.00 0.00 H new ATOM 0 HB2 HIS A 130 19.496 0.513 6.642 1.00 0.00 H new ATOM 0 HB3 HIS A 130 18.314 -0.518 5.861 1.00 0.00 H new ATOM 0 HD2 HIS A 130 19.548 -2.471 4.086 1.00 0.00 H new ATOM 0 HE1 HIS A 130 23.002 -2.756 6.563 1.00 0.00 H new ATOM 0 HE2 HIS A 130 21.676 -3.933 4.699 1.00 0.00 H new ATOM 1113 N THR A 131 18.357 -0.529 2.724 1.00 0.00 N ATOM 1114 CA THR A 131 18.371 -1.282 1.475 1.00 0.00 C ATOM 1115 C THR A 131 18.794 -0.410 0.283 1.00 0.00 C ATOM 1116 O THR A 131 19.339 -0.924 -0.693 1.00 0.00 O ATOM 1117 CB THR A 131 16.990 -1.937 1.313 1.00 0.00 C ATOM 1118 OG1 THR A 131 16.790 -2.799 2.417 1.00 0.00 O ATOM 1119 CG2 THR A 131 16.826 -2.746 0.032 1.00 0.00 C ATOM 0 H THR A 131 17.448 -0.518 3.187 1.00 0.00 H new ATOM 0 HA THR A 131 19.126 -2.067 1.505 1.00 0.00 H new ATOM 0 HB THR A 131 16.257 -1.132 1.262 1.00 0.00 H new ATOM 0 HG1 THR A 131 15.833 -2.852 2.622 1.00 0.00 H new ATOM 0 HG21 THR A 131 15.824 -3.173 -0.003 1.00 0.00 H new ATOM 0 HG22 THR A 131 16.973 -2.096 -0.830 1.00 0.00 H new ATOM 0 HG23 THR A 131 17.563 -3.548 0.011 1.00 0.00 H new ATOM 1127 N TRP A 132 18.656 0.914 0.370 1.00 0.00 N ATOM 1128 CA TRP A 132 19.172 1.795 -0.683 1.00 0.00 C ATOM 1129 C TRP A 132 20.695 1.893 -0.664 1.00 0.00 C ATOM 1130 O TRP A 132 21.296 2.054 -1.727 1.00 0.00 O ATOM 1131 CB TRP A 132 18.558 3.197 -0.645 1.00 0.00 C ATOM 1132 CG TRP A 132 17.206 3.350 -1.268 1.00 0.00 C ATOM 1133 CD1 TRP A 132 16.800 2.808 -2.441 1.00 0.00 C ATOM 1134 CD2 TRP A 132 16.129 4.229 -0.843 1.00 0.00 C ATOM 1135 NE1 TRP A 132 15.528 3.252 -2.743 1.00 0.00 N ATOM 1136 CE2 TRP A 132 15.092 4.179 -1.822 1.00 0.00 C ATOM 1137 CE3 TRP A 132 15.980 5.149 0.214 1.00 0.00 C ATOM 1138 CZ2 TRP A 132 13.980 5.031 -1.774 1.00 0.00 C ATOM 1139 CZ3 TRP A 132 14.883 6.026 0.258 1.00 0.00 C ATOM 1140 CH2 TRP A 132 13.908 5.989 -0.751 1.00 0.00 C ATOM 0 H TRP A 132 18.199 1.395 1.145 1.00 0.00 H new ATOM 0 HA TRP A 132 18.868 1.325 -1.619 1.00 0.00 H new ATOM 0 HB2 TRP A 132 18.492 3.512 0.396 1.00 0.00 H new ATOM 0 HB3 TRP A 132 19.243 3.883 -1.143 1.00 0.00 H new ATOM 0 HD1 TRP A 132 17.383 2.131 -3.048 1.00 0.00 H new ATOM 0 HE1 TRP A 132 14.982 2.935 -3.544 1.00 0.00 H new ATOM 0 HE3 TRP A 132 16.719 5.180 1.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 13.194 4.952 -2.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 14.790 6.731 1.071 1.00 0.00 H new ATOM 0 HH2 TRP A 132 13.097 6.702 -0.740 1.00 0.00 H new ATOM 1151 N GLU A 133 21.332 1.753 0.499 1.00 0.00 N ATOM 1152 CA GLU A 133 22.783 1.697 0.600 1.00 0.00 C ATOM 1153 C GLU A 133 23.318 0.453 -0.117 1.00 0.00 C ATOM 1154 O GLU A 133 24.412 0.502 -0.683 1.00 0.00 O ATOM 1155 CB GLU A 133 23.223 1.835 2.070 1.00 0.00 C ATOM 1156 CG GLU A 133 23.883 0.613 2.728 1.00 0.00 C ATOM 1157 CD GLU A 133 24.430 0.960 4.121 1.00 0.00 C ATOM 1158 OE1 GLU A 133 25.239 1.910 4.214 1.00 0.00 O ATOM 1159 OE2 GLU A 133 24.100 0.280 5.122 1.00 0.00 O ATOM 0 H GLU A 133 20.852 1.676 1.396 1.00 0.00 H new ATOM 0 HA GLU A 133 23.232 2.545 0.083 1.00 0.00 H new ATOM 0 HB2 GLU A 133 23.920 2.671 2.136 1.00 0.00 H new ATOM 0 HB3 GLU A 133 22.347 2.103 2.660 1.00 0.00 H new ATOM 0 HG2 GLU A 133 23.157 -0.195 2.811 1.00 0.00 H new ATOM 0 HG3 GLU A 133 24.694 0.250 2.096 1.00 0.00 H new ATOM 1166 N GLN A 134 22.529 -0.624 -0.143 1.00 0.00 N ATOM 1167 CA GLN A 134 22.812 -1.864 -0.850 1.00 0.00 C ATOM 1168 C GLN A 134 22.410 -1.792 -2.330 1.00 0.00 C ATOM 1169 O GLN A 134 23.066 -2.435 -3.149 1.00 0.00 O ATOM 1170 CB GLN A 134 22.097 -3.010 -0.115 1.00 0.00 C ATOM 1171 CG GLN A 134 23.019 -3.671 0.921 1.00 0.00 C ATOM 1172 CD GLN A 134 23.836 -4.792 0.271 1.00 0.00 C ATOM 1173 OE1 GLN A 134 23.282 -5.793 -0.183 1.00 0.00 O ATOM 1174 NE2 GLN A 134 25.148 -4.666 0.211 1.00 0.00 N ATOM 0 H GLN A 134 21.637 -0.651 0.352 1.00 0.00 H new ATOM 0 HA GLN A 134 23.887 -2.043 -0.850 1.00 0.00 H new ATOM 0 HB2 GLN A 134 21.206 -2.626 0.381 1.00 0.00 H new ATOM 0 HB3 GLN A 134 21.764 -3.756 -0.837 1.00 0.00 H new ATOM 0 HG2 GLN A 134 23.689 -2.925 1.349 1.00 0.00 H new ATOM 0 HG3 GLN A 134 22.425 -4.074 1.741 1.00 0.00 H new ATOM 0 HE21 GLN A 134 25.598 -3.833 0.590 1.00 0.00 H new ATOM 0 HE22 GLN A 134 25.712 -5.402 -0.214 1.00 0.00 H new ATOM 1183 N MET A 135 21.391 -1.009 -2.709 1.00 0.00 N ATOM 1184 CA MET A 135 21.089 -0.734 -4.103 1.00 0.00 C ATOM 1185 C MET A 135 22.178 0.092 -4.773 1.00 0.00 C ATOM 1186 O MET A 135 22.391 -0.048 -5.977 1.00 0.00 O ATOM 1187 CB MET A 135 19.793 0.038 -4.182 1.00 0.00 C ATOM 1188 CG MET A 135 18.619 -0.849 -3.772 1.00 0.00 C ATOM 1189 SD MET A 135 17.517 -1.211 -5.142 1.00 0.00 S ATOM 1190 CE MET A 135 16.965 0.462 -5.524 1.00 0.00 C ATOM 0 H MET A 135 20.759 -0.553 -2.051 1.00 0.00 H new ATOM 0 HA MET A 135 21.017 -1.691 -4.620 1.00 0.00 H new ATOM 0 HB2 MET A 135 19.842 0.911 -3.531 1.00 0.00 H new ATOM 0 HB3 MET A 135 19.642 0.405 -5.197 1.00 0.00 H new ATOM 0 HG2 MET A 135 19.001 -1.783 -3.361 1.00 0.00 H new ATOM 0 HG3 MET A 135 18.057 -0.357 -2.978 1.00 0.00 H new ATOM 0 HE1 MET A 135 15.875 0.493 -5.533 1.00 0.00 H new ATOM 0 HE2 MET A 135 17.341 1.151 -4.768 1.00 0.00 H new ATOM 0 HE3 MET A 135 17.344 0.756 -6.503 1.00 0.00 H new ATOM 1200 N GLY A 136 22.819 0.989 -4.018 1.00 0.00 N ATOM 1201 CA GLY A 136 23.800 1.918 -4.546 1.00 0.00 C ATOM 1202 C GLY A 136 23.376 3.376 -4.476 1.00 0.00 C ATOM 1203 O GLY A 136 24.122 4.216 -4.981 1.00 0.00 O ATOM 0 H GLY A 136 22.664 1.085 -3.014 1.00 0.00 H new ATOM 0 HA2 GLY A 136 24.733 1.796 -3.996 1.00 0.00 H new ATOM 0 HA3 GLY A 136 24.006 1.660 -5.585 1.00 0.00 H new ATOM 1207 N LEU A 137 22.170 3.685 -3.991 1.00 0.00 N ATOM 1208 CA LEU A 137 21.499 4.920 -4.375 1.00 0.00 C ATOM 1209 C LEU A 137 21.646 5.931 -3.254 1.00 0.00 C ATOM 1210 O LEU A 137 20.774 6.046 -2.387 1.00 0.00 O ATOM 1211 CB LEU A 137 20.041 4.695 -4.803 1.00 0.00 C ATOM 1212 CG LEU A 137 19.837 3.551 -5.797 1.00 0.00 C ATOM 1213 CD1 LEU A 137 18.440 3.498 -6.372 1.00 0.00 C ATOM 1214 CD2 LEU A 137 20.810 3.530 -6.987 1.00 0.00 C ATOM 0 H LEU A 137 21.647 3.101 -3.339 1.00 0.00 H new ATOM 0 HA LEU A 137 21.981 5.323 -5.266 1.00 0.00 H new ATOM 0 HB2 LEU A 137 19.442 4.497 -3.914 1.00 0.00 H new ATOM 0 HB3 LEU A 137 19.660 5.615 -5.246 1.00 0.00 H new ATOM 0 HG LEU A 137 20.033 2.681 -5.170 1.00 0.00 H new ATOM 0 HD11 LEU A 137 18.365 2.663 -7.069 1.00 0.00 H new ATOM 0 HD12 LEU A 137 17.719 3.363 -5.565 1.00 0.00 H new ATOM 0 HD13 LEU A 137 18.227 4.429 -6.897 1.00 0.00 H new ATOM 0 HD21 LEU A 137 20.580 2.681 -7.630 1.00 0.00 H new ATOM 0 HD22 LEU A 137 20.709 4.454 -7.556 1.00 0.00 H new ATOM 0 HD23 LEU A 137 21.832 3.440 -6.620 1.00 0.00 H new ATOM 1226 N ARG A 138 22.757 6.672 -3.261 1.00 0.00 N ATOM 1227 CA ARG A 138 23.043 7.653 -2.247 1.00 0.00 C ATOM 1228 C ARG A 138 21.933 8.688 -2.257 1.00 0.00 C ATOM 1229 O ARG A 138 21.420 9.007 -1.191 1.00 0.00 O ATOM 1230 CB ARG A 138 24.425 8.264 -2.529 1.00 0.00 C ATOM 1231 CG ARG A 138 25.023 8.927 -1.290 1.00 0.00 C ATOM 1232 CD ARG A 138 24.559 10.374 -1.211 1.00 0.00 C ATOM 1233 NE ARG A 138 24.553 10.850 0.185 1.00 0.00 N ATOM 1234 CZ ARG A 138 25.166 11.938 0.666 1.00 0.00 C ATOM 1235 NH1 ARG A 138 25.950 12.685 -0.097 1.00 0.00 N ATOM 1236 NH2 ARG A 138 25.004 12.280 1.939 1.00 0.00 N ATOM 0 H ARG A 138 23.477 6.597 -3.979 1.00 0.00 H new ATOM 0 HA ARG A 138 23.077 7.210 -1.252 1.00 0.00 H new ATOM 0 HB2 ARG A 138 25.100 7.485 -2.884 1.00 0.00 H new ATOM 0 HB3 ARG A 138 24.339 9.000 -3.328 1.00 0.00 H new ATOM 0 HG2 ARG A 138 24.718 8.387 -0.393 1.00 0.00 H new ATOM 0 HG3 ARG A 138 26.111 8.885 -1.332 1.00 0.00 H new ATOM 0 HD2 ARG A 138 25.216 11.004 -1.811 1.00 0.00 H new ATOM 0 HD3 ARG A 138 23.558 10.463 -1.634 1.00 0.00 H new ATOM 0 HE ARG A 138 24.026 10.290 0.855 1.00 0.00 H new ATOM 0 HH11 ARG A 138 26.098 12.436 -1.075 1.00 0.00 H new ATOM 0 HH12 ARG A 138 26.406 13.510 0.293 1.00 0.00 H new ATOM 0 HH21 ARG A 138 24.413 11.714 2.548 1.00 0.00 H new ATOM 0 HH22 ARG A 138 25.470 13.109 2.308 1.00 0.00 H new ATOM 1250 N SER A 139 21.557 9.181 -3.440 1.00 0.00 N ATOM 1251 CA SER A 139 20.604 10.269 -3.591 1.00 0.00 C ATOM 1252 C SER A 139 19.258 9.899 -2.974 1.00 0.00 C ATOM 1253 O SER A 139 18.626 10.734 -2.338 1.00 0.00 O ATOM 1254 CB SER A 139 20.494 10.607 -5.084 1.00 0.00 C ATOM 1255 OG SER A 139 20.054 11.934 -5.307 1.00 0.00 O ATOM 0 H SER A 139 21.914 8.827 -4.327 1.00 0.00 H new ATOM 0 HA SER A 139 20.947 11.155 -3.057 1.00 0.00 H new ATOM 0 HB2 SER A 139 21.465 10.465 -5.558 1.00 0.00 H new ATOM 0 HB3 SER A 139 19.802 9.913 -5.561 1.00 0.00 H new ATOM 0 HG SER A 139 20.001 12.103 -6.271 1.00 0.00 H new ATOM 1261 N LEU A 140 18.845 8.637 -3.099 1.00 0.00 N ATOM 1262 CA LEU A 140 17.564 8.155 -2.603 1.00 0.00 C ATOM 1263 C LEU A 140 17.531 8.273 -1.079 1.00 0.00 C ATOM 1264 O LEU A 140 16.605 8.857 -0.514 1.00 0.00 O ATOM 1265 CB LEU A 140 17.358 6.695 -3.042 1.00 0.00 C ATOM 1266 CG LEU A 140 16.896 6.438 -4.492 1.00 0.00 C ATOM 1267 CD1 LEU A 140 15.372 6.680 -4.578 1.00 0.00 C ATOM 1268 CD2 LEU A 140 17.548 7.330 -5.556 1.00 0.00 C ATOM 0 H LEU A 140 19.402 7.914 -3.555 1.00 0.00 H new ATOM 0 HA LEU A 140 16.756 8.758 -3.017 1.00 0.00 H new ATOM 0 HB2 LEU A 140 18.298 6.164 -2.891 1.00 0.00 H new ATOM 0 HB3 LEU A 140 16.626 6.244 -2.372 1.00 0.00 H new ATOM 0 HG LEU A 140 17.193 5.412 -4.708 1.00 0.00 H new ATOM 0 HD11 LEU A 140 15.032 6.502 -5.598 1.00 0.00 H new ATOM 0 HD12 LEU A 140 14.857 6.000 -3.900 1.00 0.00 H new ATOM 0 HD13 LEU A 140 15.151 7.710 -4.297 1.00 0.00 H new ATOM 0 HD21 LEU A 140 17.156 7.070 -6.539 1.00 0.00 H new ATOM 0 HD22 LEU A 140 17.325 8.375 -5.341 1.00 0.00 H new ATOM 0 HD23 LEU A 140 18.628 7.180 -5.545 1.00 0.00 H new ATOM 1280 N CYS A 141 18.566 7.744 -0.416 1.00 0.00 N ATOM 1281 CA CYS A 141 18.725 7.854 1.029 1.00 0.00 C ATOM 1282 C CYS A 141 18.854 9.318 1.449 1.00 0.00 C ATOM 1283 O CYS A 141 18.227 9.741 2.418 1.00 0.00 O ATOM 1284 CB CYS A 141 19.967 7.064 1.456 1.00 0.00 C ATOM 1285 SG CYS A 141 20.163 7.137 3.258 1.00 0.00 S ATOM 0 H CYS A 141 19.317 7.227 -0.873 1.00 0.00 H new ATOM 0 HA CYS A 141 17.843 7.442 1.520 1.00 0.00 H new ATOM 0 HB2 CYS A 141 19.876 6.027 1.134 1.00 0.00 H new ATOM 0 HB3 CYS A 141 20.853 7.473 0.969 1.00 0.00 H new ATOM 0 HG CYS A 141 21.218 6.462 3.607 1.00 0.00 H new ATOM 1291 N ALA A 142 19.682 10.078 0.735 1.00 0.00 N ATOM 1292 CA ALA A 142 19.970 11.468 1.017 1.00 0.00 C ATOM 1293 C ALA A 142 18.665 12.266 1.001 1.00 0.00 C ATOM 1294 O ALA A 142 18.317 12.893 1.991 1.00 0.00 O ATOM 1295 CB ALA A 142 21.008 11.974 0.004 1.00 0.00 C ATOM 0 H ALA A 142 20.183 9.725 -0.080 1.00 0.00 H new ATOM 0 HA ALA A 142 20.402 11.594 2.010 1.00 0.00 H new ATOM 0 HB1 ALA A 142 21.233 13.021 0.206 1.00 0.00 H new ATOM 0 HB2 ALA A 142 21.920 11.383 0.091 1.00 0.00 H new ATOM 0 HB3 ALA A 142 20.608 11.877 -1.005 1.00 0.00 H new ATOM 1301 N GLN A 143 17.867 12.174 -0.060 1.00 0.00 N ATOM 1302 CA GLN A 143 16.582 12.852 -0.169 1.00 0.00 C ATOM 1303 C GLN A 143 15.564 12.378 0.894 1.00 0.00 C ATOM 1304 O GLN A 143 14.519 13.003 1.080 1.00 0.00 O ATOM 1305 CB GLN A 143 16.079 12.660 -1.608 1.00 0.00 C ATOM 1306 CG GLN A 143 15.055 13.733 -2.006 1.00 0.00 C ATOM 1307 CD GLN A 143 14.542 13.591 -3.435 1.00 0.00 C ATOM 1308 OE1 GLN A 143 14.929 12.699 -4.195 1.00 0.00 O ATOM 1309 NE2 GLN A 143 13.648 14.475 -3.837 1.00 0.00 N ATOM 0 H GLN A 143 18.101 11.616 -0.881 1.00 0.00 H new ATOM 0 HA GLN A 143 16.705 13.915 0.038 1.00 0.00 H new ATOM 0 HB2 GLN A 143 16.924 12.693 -2.295 1.00 0.00 H new ATOM 0 HB3 GLN A 143 15.627 11.673 -1.706 1.00 0.00 H new ATOM 0 HG2 GLN A 143 14.209 13.688 -1.320 1.00 0.00 H new ATOM 0 HG3 GLN A 143 15.509 14.717 -1.888 1.00 0.00 H new ATOM 0 HE21 GLN A 143 13.334 15.208 -3.201 1.00 0.00 H new ATOM 0 HE22 GLN A 143 13.271 14.425 -4.783 1.00 0.00 H new ATOM 1318 N ALA A 144 15.845 11.295 1.622 1.00 0.00 N ATOM 1319 CA ALA A 144 15.074 10.839 2.772 1.00 0.00 C ATOM 1320 C ALA A 144 15.661 11.300 4.126 1.00 0.00 C ATOM 1321 O ALA A 144 15.020 11.110 5.163 1.00 0.00 O ATOM 1322 CB ALA A 144 14.881 9.320 2.659 1.00 0.00 C ATOM 0 H ALA A 144 16.643 10.694 1.417 1.00 0.00 H new ATOM 0 HA ALA A 144 14.093 11.313 2.755 1.00 0.00 H new ATOM 0 HB1 ALA A 144 14.305 8.962 3.513 1.00 0.00 H new ATOM 0 HB2 ALA A 144 14.346 9.089 1.738 1.00 0.00 H new ATOM 0 HB3 ALA A 144 15.854 8.830 2.646 1.00 0.00 H new ATOM 1328 N GLN A 145 16.833 11.947 4.149 1.00 0.00 N ATOM 1329 CA GLN A 145 17.562 12.372 5.343 1.00 0.00 C ATOM 1330 C GLN A 145 18.348 13.657 5.047 1.00 0.00 C ATOM 1331 O GLN A 145 19.551 13.731 5.299 1.00 0.00 O ATOM 1332 CB GLN A 145 18.479 11.244 5.848 1.00 0.00 C ATOM 1333 CG GLN A 145 17.685 10.105 6.490 1.00 0.00 C ATOM 1334 CD GLN A 145 18.617 9.112 7.158 1.00 0.00 C ATOM 1335 OE1 GLN A 145 18.706 9.048 8.379 1.00 0.00 O ATOM 1336 NE2 GLN A 145 19.317 8.319 6.369 1.00 0.00 N ATOM 0 H GLN A 145 17.320 12.199 3.289 1.00 0.00 H new ATOM 0 HA GLN A 145 16.850 12.590 6.139 1.00 0.00 H new ATOM 0 HB2 GLN A 145 19.065 10.853 5.016 1.00 0.00 H new ATOM 0 HB3 GLN A 145 19.185 11.648 6.574 1.00 0.00 H new ATOM 0 HG2 GLN A 145 16.989 10.509 7.225 1.00 0.00 H new ATOM 0 HG3 GLN A 145 17.089 9.598 5.731 1.00 0.00 H new ATOM 0 HE21 GLN A 145 19.223 8.395 5.356 1.00 0.00 H new ATOM 0 HE22 GLN A 145 19.952 7.630 6.772 1.00 0.00 H new