USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 995 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 113 LYS NZ :NH3+ -146:sc= 2.29 (180deg=-1.02) USER MOD Set 1.2: A 122 GLN : amide:sc= -0.304 K(o=2,f=-7.4!) USER MOD Set 2.1: A 97 HIS :FLIP no HD1:sc= -3.89 F(o=-5.2!,f=-3.8) USER MOD Set 2.2: A 100 LYS NZ :NH3+ -158:sc= 0.112 (180deg=0.00183) USER MOD Set 3.1: A 73 THR OG1 : rot 180:sc= 0.04 USER MOD Set 3.2: A 75 ASN : amide:sc= -0.0128 X(o=0.027,f=0.04) USER MOD Set 4.1: A 71 SER OG : rot 143:sc= -0.956 USER MOD Set 4.2: A 78 CYS SG : rot 161:sc= -3.57! USER MOD Set 5.1: A 36 HIS : no HE2:sc= -12.9! C(o=-16!,f=-18!) USER MOD Set 5.2: A 53 SER OG : rot -71:sc= -2.12 USER MOD Set 5.3: A 56 THR OG1 : rot -140:sc= -0.469 USER MOD Set 5.4: A 58 GLN : amide:sc= -0.528 K(o=-16,f=-17) USER MOD Set 6.1: A 12 SER OG : rot 180:sc= 0 USER MOD Set 6.2: A 89 TYR OH : rot 180:sc= -0.955 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot -158:sc= -0.545 USER MOD Single : A 13 ASN : amide:sc= -3.59! C(o=-3.6!,f=-7.1!) USER MOD Single : A 16 HIS : no HD1:sc= -3.76! C(o=-3.8!,f=-5.1!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.0256 K(o=-0.026,f=-2.1!) USER MOD Single : A 38 GLN : amide:sc= -0.135 X(o=-0.13,f=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 137:sc= -0.552! USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot -88:sc= 0.109 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.0333 USER MOD Single : A 62 MET CE :methyl -151:sc= -0.426 (180deg=-1.69!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.00236 USER MOD Single : A 69 TYR OH : rot -169:sc= 0.203 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 ASN : amide:sc= -0.0637 K(o=-0.064,f=-1.9!) USER MOD Single : A 88 HIS : no HD1:sc= -0.493 X(o=-0.49,f=-0.19) USER MOD Single : A 90 ASN : amide:sc= -0.0156 K(o=-0.016,f=-0.79) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.232 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 80:sc= 0.346 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= -1.67 K(o=-1.7,f=-5!) USER MOD Single : A 107 LYS NZ :NH3+ -157:sc= -0.164 (180deg=-0.398) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 ASN : amide:sc= -0.11 X(o=-0.11,f=-0.53) USER MOD Single : A 111 SER OG : rot -169:sc= -1.87 USER MOD Single : A 112 CYS SG : rot 32:sc= 0.0391 USER MOD Single : A 118 THR OG1 : rot -96:sc= 0.762 USER MOD Single : A 119 HIS : no HD1:sc= -0.411 X(o=-0.41,f=-0.69) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 97 N PRO A 6 10.038 -8.597 0.854 1.00 0.00 N ATOM 98 CA PRO A 6 9.548 -7.324 0.352 1.00 0.00 C ATOM 99 C PRO A 6 8.418 -7.532 -0.658 1.00 0.00 C ATOM 100 O PRO A 6 8.109 -8.664 -1.026 1.00 0.00 O ATOM 101 CB PRO A 6 10.766 -6.644 -0.250 1.00 0.00 C ATOM 102 CG PRO A 6 11.788 -7.746 -0.481 1.00 0.00 C ATOM 103 CD PRO A 6 11.330 -8.974 0.288 1.00 0.00 C ATOM 0 HA PRO A 6 9.108 -6.704 1.133 1.00 0.00 H new ATOM 0 HB2 PRO A 6 10.512 -6.145 -1.185 1.00 0.00 H new ATOM 0 HB3 PRO A 6 11.159 -5.881 0.422 1.00 0.00 H new ATOM 0 HG2 PRO A 6 11.873 -7.971 -1.544 1.00 0.00 H new ATOM 0 HG3 PRO A 6 12.774 -7.429 -0.142 1.00 0.00 H new ATOM 0 HD2 PRO A 6 11.238 -9.840 -0.368 1.00 0.00 H new ATOM 0 HD3 PRO A 6 12.042 -9.240 1.069 1.00 0.00 H new ATOM 111 N LYS A 7 7.832 -6.421 -1.078 1.00 0.00 N ATOM 112 CA LYS A 7 6.743 -6.466 -2.039 1.00 0.00 C ATOM 113 C LYS A 7 6.835 -5.253 -2.967 1.00 0.00 C ATOM 114 O LYS A 7 7.489 -4.264 -2.638 1.00 0.00 O ATOM 115 CB LYS A 7 5.398 -6.588 -1.319 1.00 0.00 C ATOM 116 CG LYS A 7 4.878 -8.026 -1.368 1.00 0.00 C ATOM 117 CD LYS A 7 3.352 -8.054 -1.468 1.00 0.00 C ATOM 118 CE LYS A 7 2.748 -8.957 -0.391 1.00 0.00 C ATOM 119 NZ LYS A 7 2.324 -8.157 0.779 1.00 0.00 N ATOM 0 H LYS A 7 8.091 -5.484 -0.770 1.00 0.00 H new ATOM 0 HA LYS A 7 6.826 -7.354 -2.666 1.00 0.00 H new ATOM 0 HB2 LYS A 7 5.507 -6.272 -0.281 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.672 -5.919 -1.781 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.312 -8.544 -2.223 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.197 -8.563 -0.475 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.959 -7.043 -1.362 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.055 -8.410 -2.455 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.893 -9.497 -0.798 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.479 -9.704 -0.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.916 -8.786 1.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.147 -7.661 1.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.610 -7.461 0.483 1.00 0.00 H new ATOM 133 N LEU A 8 6.172 -5.369 -4.108 1.00 0.00 N ATOM 134 CA LEU A 8 6.172 -4.295 -5.086 1.00 0.00 C ATOM 135 C LEU A 8 4.731 -3.857 -5.356 1.00 0.00 C ATOM 136 O LEU A 8 3.826 -4.688 -5.412 1.00 0.00 O ATOM 137 CB LEU A 8 6.933 -4.715 -6.345 1.00 0.00 C ATOM 138 CG LEU A 8 8.300 -5.363 -6.117 1.00 0.00 C ATOM 139 CD1 LEU A 8 8.628 -6.358 -7.232 1.00 0.00 C ATOM 140 CD2 LEU A 8 9.390 -4.301 -5.958 1.00 0.00 C ATOM 0 H LEU A 8 5.631 -6.191 -4.377 1.00 0.00 H new ATOM 0 HA LEU A 8 6.703 -3.426 -4.697 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.311 -5.413 -6.906 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.070 -3.835 -6.973 1.00 0.00 H new ATOM 0 HG LEU A 8 8.260 -5.926 -5.185 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.605 -6.804 -7.046 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.870 -7.141 -7.256 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.643 -5.839 -8.190 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.352 -4.788 -5.797 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.438 -3.691 -6.860 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.157 -3.666 -5.103 1.00 0.00 H new ATOM 152 N LEU A 9 4.562 -2.552 -5.515 1.00 0.00 N ATOM 153 CA LEU A 9 3.247 -1.994 -5.778 1.00 0.00 C ATOM 154 C LEU A 9 3.047 -1.858 -7.288 1.00 0.00 C ATOM 155 O LEU A 9 3.711 -1.049 -7.935 1.00 0.00 O ATOM 156 CB LEU A 9 3.058 -0.683 -5.012 1.00 0.00 C ATOM 157 CG LEU A 9 3.101 -0.785 -3.486 1.00 0.00 C ATOM 158 CD1 LEU A 9 2.735 0.551 -2.836 1.00 0.00 C ATOM 159 CD2 LEU A 9 2.213 -1.927 -2.988 1.00 0.00 C ATOM 0 H LEU A 9 5.315 -1.865 -5.467 1.00 0.00 H new ATOM 0 HA LEU A 9 2.469 -2.665 -5.413 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.831 0.016 -5.331 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.099 -0.252 -5.301 1.00 0.00 H new ATOM 0 HG LEU A 9 4.123 -1.018 -3.188 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.773 0.450 -1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.442 1.317 -3.155 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.728 0.839 -3.138 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.261 -1.978 -1.900 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.183 -1.749 -3.297 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.561 -2.869 -3.411 1.00 0.00 H new ATOM 171 N TYR A 10 2.131 -2.662 -7.807 1.00 0.00 N ATOM 172 CA TYR A 10 1.836 -2.642 -9.229 1.00 0.00 C ATOM 173 C TYR A 10 0.785 -1.579 -9.556 1.00 0.00 C ATOM 174 O TYR A 10 -0.090 -1.294 -8.740 1.00 0.00 O ATOM 175 CB TYR A 10 1.268 -4.023 -9.562 1.00 0.00 C ATOM 176 CG TYR A 10 1.116 -4.289 -11.061 1.00 0.00 C ATOM 177 CD1 TYR A 10 2.228 -4.282 -11.879 1.00 0.00 C ATOM 178 CD2 TYR A 10 -0.133 -4.535 -11.596 1.00 0.00 C ATOM 179 CE1 TYR A 10 2.085 -4.533 -13.290 1.00 0.00 C ATOM 180 CE2 TYR A 10 -0.275 -4.785 -13.007 1.00 0.00 C ATOM 181 CZ TYR A 10 0.840 -4.771 -13.784 1.00 0.00 C ATOM 182 OH TYR A 10 0.706 -5.007 -15.117 1.00 0.00 O ATOM 0 H TYR A 10 1.583 -3.332 -7.267 1.00 0.00 H new ATOM 0 HA TYR A 10 2.733 -2.409 -9.803 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.918 -4.785 -9.132 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.294 -4.129 -9.084 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.205 -4.088 -11.461 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -1.003 -4.540 -10.956 1.00 0.00 H new ATOM 0 HE1 TYR A 10 2.947 -4.532 -13.941 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.246 -4.979 -13.438 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.238 -5.162 -15.328 1.00 0.00 H new ATOM 192 N CYS A 11 0.905 -1.021 -10.752 1.00 0.00 N ATOM 193 CA CYS A 11 -0.023 0.004 -11.197 1.00 0.00 C ATOM 194 C CYS A 11 -0.472 -0.339 -12.619 1.00 0.00 C ATOM 195 O CYS A 11 0.004 0.257 -13.584 1.00 0.00 O ATOM 196 CB CYS A 11 0.595 1.401 -11.114 1.00 0.00 C ATOM 197 SG CYS A 11 -0.626 2.657 -11.643 1.00 0.00 S ATOM 0 H CYS A 11 1.632 -1.260 -11.427 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.891 0.023 -10.538 1.00 0.00 H new ATOM 0 HB2 CYS A 11 0.919 1.604 -10.093 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.481 1.454 -11.747 1.00 0.00 H new ATOM 0 HG CYS A 11 -0.005 3.736 -12.015 1.00 0.00 H new ATOM 203 N SER A 12 -1.383 -1.297 -12.703 1.00 0.00 N ATOM 204 CA SER A 12 -1.901 -1.726 -13.991 1.00 0.00 C ATOM 205 C SER A 12 -2.068 -0.519 -14.916 1.00 0.00 C ATOM 206 O SER A 12 -1.820 -0.613 -16.117 1.00 0.00 O ATOM 207 CB SER A 12 -3.233 -2.461 -13.832 1.00 0.00 C ATOM 208 OG SER A 12 -3.926 -2.584 -15.071 1.00 0.00 O ATOM 0 H SER A 12 -1.776 -1.788 -11.900 1.00 0.00 H new ATOM 0 HA SER A 12 -1.185 -2.419 -14.434 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.053 -3.453 -13.418 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.859 -1.926 -13.118 1.00 0.00 H new ATOM 0 HG SER A 12 -4.770 -3.060 -14.928 1.00 0.00 H new ATOM 214 N ASN A 13 -2.488 0.588 -14.322 1.00 0.00 N ATOM 215 CA ASN A 13 -2.691 1.813 -15.078 1.00 0.00 C ATOM 216 C ASN A 13 -1.589 1.946 -16.130 1.00 0.00 C ATOM 217 O ASN A 13 -1.859 2.303 -17.276 1.00 0.00 O ATOM 218 CB ASN A 13 -2.627 3.040 -14.166 1.00 0.00 C ATOM 219 CG ASN A 13 -3.700 4.062 -14.546 1.00 0.00 C ATOM 220 OD1 ASN A 13 -4.727 3.739 -15.120 1.00 0.00 O ATOM 221 ND2 ASN A 13 -3.405 5.311 -14.195 1.00 0.00 N ATOM 0 H ASN A 13 -2.693 0.663 -13.326 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.675 1.763 -15.545 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -2.762 2.734 -13.129 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.641 3.499 -14.237 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -4.057 6.067 -14.405 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.527 5.512 -13.716 1.00 0.00 H new ATOM 228 N GLY A 14 -0.369 1.654 -15.703 1.00 0.00 N ATOM 229 CA GLY A 14 0.776 1.737 -16.594 1.00 0.00 C ATOM 230 C GLY A 14 1.637 0.476 -16.499 1.00 0.00 C ATOM 231 O GLY A 14 2.106 -0.037 -17.514 1.00 0.00 O ATOM 0 H GLY A 14 -0.149 1.360 -14.752 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.434 1.872 -17.620 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.376 2.611 -16.341 1.00 0.00 H new ATOM 235 N GLY A 15 1.819 0.014 -15.271 1.00 0.00 N ATOM 236 CA GLY A 15 2.616 -1.177 -15.030 1.00 0.00 C ATOM 237 C GLY A 15 4.015 -0.810 -14.531 1.00 0.00 C ATOM 238 O GLY A 15 5.015 -1.216 -15.121 1.00 0.00 O ATOM 0 H GLY A 15 1.428 0.443 -14.432 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.118 -1.809 -14.295 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.695 -1.758 -15.949 1.00 0.00 H new ATOM 242 N HIS A 16 4.041 -0.044 -13.450 1.00 0.00 N ATOM 243 CA HIS A 16 5.300 0.383 -12.865 1.00 0.00 C ATOM 244 C HIS A 16 5.287 0.107 -11.360 1.00 0.00 C ATOM 245 O HIS A 16 4.237 -0.182 -10.787 1.00 0.00 O ATOM 246 CB HIS A 16 5.583 1.849 -13.196 1.00 0.00 C ATOM 247 CG HIS A 16 5.651 2.143 -14.676 1.00 0.00 C ATOM 248 ND1 HIS A 16 4.597 1.895 -15.538 1.00 0.00 N ATOM 249 CD2 HIS A 16 6.655 2.666 -15.436 1.00 0.00 C ATOM 250 CE1 HIS A 16 4.961 2.255 -16.760 1.00 0.00 C ATOM 251 NE2 HIS A 16 6.237 2.733 -16.694 1.00 0.00 N ATOM 0 H HIS A 16 3.209 0.292 -12.964 1.00 0.00 H new ATOM 0 HA HIS A 16 6.119 -0.192 -13.297 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.806 2.468 -12.748 1.00 0.00 H new ATOM 0 HB3 HIS A 16 6.527 2.139 -12.735 1.00 0.00 H new ATOM 0 HD2 HIS A 16 7.626 2.974 -15.076 1.00 0.00 H new ATOM 0 HE1 HIS A 16 4.355 2.183 -17.651 1.00 0.00 H new ATOM 0 HE2 HIS A 16 6.781 3.084 -17.482 1.00 0.00 H new ATOM 259 N PHE A 17 6.465 0.205 -10.762 1.00 0.00 N ATOM 260 CA PHE A 17 6.602 -0.030 -9.335 1.00 0.00 C ATOM 261 C PHE A 17 6.949 1.264 -8.597 1.00 0.00 C ATOM 262 O PHE A 17 7.717 2.083 -9.100 1.00 0.00 O ATOM 263 CB PHE A 17 7.747 -1.029 -9.154 1.00 0.00 C ATOM 264 CG PHE A 17 7.462 -2.414 -9.737 1.00 0.00 C ATOM 265 CD1 PHE A 17 6.209 -2.940 -9.660 1.00 0.00 C ATOM 266 CD2 PHE A 17 8.460 -3.121 -10.332 1.00 0.00 C ATOM 267 CE1 PHE A 17 5.945 -4.226 -10.201 1.00 0.00 C ATOM 268 CE2 PHE A 17 8.195 -4.406 -10.873 1.00 0.00 C ATOM 269 CZ PHE A 17 6.943 -4.932 -10.797 1.00 0.00 C ATOM 0 H PHE A 17 7.334 0.444 -11.240 1.00 0.00 H new ATOM 0 HA PHE A 17 5.664 -0.408 -8.929 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.645 -0.626 -9.623 1.00 0.00 H new ATOM 0 HB3 PHE A 17 7.962 -1.131 -8.090 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.416 -2.379 -9.188 1.00 0.00 H new ATOM 0 HD2 PHE A 17 9.455 -2.704 -10.393 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.951 -4.644 -10.139 1.00 0.00 H new ATOM 0 HE2 PHE A 17 8.988 -4.967 -11.345 1.00 0.00 H new ATOM 0 HZ PHE A 17 6.742 -5.910 -11.210 1.00 0.00 H new ATOM 279 N LEU A 18 6.367 1.409 -7.415 1.00 0.00 N ATOM 280 CA LEU A 18 6.605 2.589 -6.603 1.00 0.00 C ATOM 281 C LEU A 18 7.953 2.451 -5.892 1.00 0.00 C ATOM 282 O LEU A 18 8.160 1.511 -5.126 1.00 0.00 O ATOM 283 CB LEU A 18 5.431 2.832 -5.653 1.00 0.00 C ATOM 284 CG LEU A 18 5.335 4.234 -5.048 1.00 0.00 C ATOM 285 CD1 LEU A 18 4.874 5.252 -6.094 1.00 0.00 C ATOM 286 CD2 LEU A 18 4.436 4.238 -3.810 1.00 0.00 C ATOM 0 H LEU A 18 5.731 0.728 -7.001 1.00 0.00 H new ATOM 0 HA LEU A 18 6.665 3.477 -7.232 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.506 2.626 -6.191 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.493 2.110 -4.839 1.00 0.00 H new ATOM 0 HG LEU A 18 6.331 4.534 -4.723 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.814 6.240 -5.638 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.587 5.275 -6.918 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.892 4.966 -6.472 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.386 5.247 -3.400 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.435 3.908 -4.086 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.847 3.562 -3.060 1.00 0.00 H new ATOM 298 N ARG A 19 8.833 3.400 -6.171 1.00 0.00 N ATOM 299 CA ARG A 19 10.155 3.396 -5.568 1.00 0.00 C ATOM 300 C ARG A 19 10.386 4.691 -4.786 1.00 0.00 C ATOM 301 O ARG A 19 9.768 5.714 -5.076 1.00 0.00 O ATOM 302 CB ARG A 19 11.245 3.249 -6.631 1.00 0.00 C ATOM 303 CG ARG A 19 11.628 4.610 -7.216 1.00 0.00 C ATOM 304 CD ARG A 19 12.470 4.445 -8.483 1.00 0.00 C ATOM 305 NE ARG A 19 13.902 4.333 -8.128 1.00 0.00 N ATOM 306 CZ ARG A 19 14.908 4.617 -8.967 1.00 0.00 C ATOM 307 NH1 ARG A 19 14.645 5.032 -10.213 1.00 0.00 N ATOM 308 NH2 ARG A 19 16.178 4.486 -8.558 1.00 0.00 N ATOM 0 H ARG A 19 8.657 4.178 -6.807 1.00 0.00 H new ATOM 0 HA ARG A 19 10.207 2.544 -4.890 1.00 0.00 H new ATOM 0 HB2 ARG A 19 12.124 2.777 -6.192 1.00 0.00 H new ATOM 0 HB3 ARG A 19 10.895 2.592 -7.427 1.00 0.00 H new ATOM 0 HG2 ARG A 19 10.726 5.178 -7.446 1.00 0.00 H new ATOM 0 HG3 ARG A 19 12.186 5.184 -6.476 1.00 0.00 H new ATOM 0 HD2 ARG A 19 12.151 3.556 -9.028 1.00 0.00 H new ATOM 0 HD3 ARG A 19 12.317 5.297 -9.145 1.00 0.00 H new ATOM 0 HE ARG A 19 14.138 4.020 -7.186 1.00 0.00 H new ATOM 0 HH11 ARG A 19 13.679 5.132 -10.524 1.00 0.00 H new ATOM 0 HH12 ARG A 19 15.411 5.248 -10.851 1.00 0.00 H new ATOM 0 HH21 ARG A 19 16.378 4.170 -7.609 1.00 0.00 H new ATOM 0 HH22 ARG A 19 16.944 4.702 -9.196 1.00 0.00 H new ATOM 322 N ILE A 20 11.278 4.604 -3.810 1.00 0.00 N ATOM 323 CA ILE A 20 11.598 5.755 -2.984 1.00 0.00 C ATOM 324 C ILE A 20 13.104 6.019 -3.046 1.00 0.00 C ATOM 325 O ILE A 20 13.906 5.114 -2.817 1.00 0.00 O ATOM 326 CB ILE A 20 11.065 5.561 -1.563 1.00 0.00 C ATOM 327 CG1 ILE A 20 9.585 5.173 -1.580 1.00 0.00 C ATOM 328 CG2 ILE A 20 11.323 6.802 -0.706 1.00 0.00 C ATOM 329 CD1 ILE A 20 9.032 5.059 -0.159 1.00 0.00 C ATOM 0 H ILE A 20 11.789 3.754 -3.573 1.00 0.00 H new ATOM 0 HA ILE A 20 11.102 6.647 -3.366 1.00 0.00 H new ATOM 0 HB ILE A 20 11.609 4.735 -1.105 1.00 0.00 H new ATOM 0 HG12 ILE A 20 9.016 5.918 -2.137 1.00 0.00 H new ATOM 0 HG13 ILE A 20 9.460 4.223 -2.100 1.00 0.00 H new ATOM 0 HG21 ILE A 20 10.934 6.637 0.299 1.00 0.00 H new ATOM 0 HG22 ILE A 20 12.395 6.992 -0.654 1.00 0.00 H new ATOM 0 HG23 ILE A 20 10.824 7.662 -1.152 1.00 0.00 H new ATOM 0 HD11 ILE A 20 7.979 4.782 -0.200 1.00 0.00 H new ATOM 0 HD12 ILE A 20 9.587 4.296 0.387 1.00 0.00 H new ATOM 0 HD13 ILE A 20 9.136 6.017 0.350 1.00 0.00 H new ATOM 341 N LEU A 21 13.443 7.262 -3.355 1.00 0.00 N ATOM 342 CA LEU A 21 14.838 7.655 -3.450 1.00 0.00 C ATOM 343 C LEU A 21 15.270 8.309 -2.135 1.00 0.00 C ATOM 344 O LEU A 21 14.434 8.803 -1.380 1.00 0.00 O ATOM 345 CB LEU A 21 15.064 8.539 -4.678 1.00 0.00 C ATOM 346 CG LEU A 21 14.424 8.053 -5.980 1.00 0.00 C ATOM 347 CD1 LEU A 21 14.532 9.117 -7.074 1.00 0.00 C ATOM 348 CD2 LEU A 21 15.023 6.716 -6.420 1.00 0.00 C ATOM 0 H LEU A 21 12.775 8.010 -3.543 1.00 0.00 H new ATOM 0 HA LEU A 21 15.471 6.779 -3.595 1.00 0.00 H new ATOM 0 HB2 LEU A 21 14.682 9.536 -4.459 1.00 0.00 H new ATOM 0 HB3 LEU A 21 16.138 8.637 -4.838 1.00 0.00 H new ATOM 0 HG LEU A 21 13.363 7.885 -5.797 1.00 0.00 H new ATOM 0 HD11 LEU A 21 14.070 8.746 -7.989 1.00 0.00 H new ATOM 0 HD12 LEU A 21 14.021 10.024 -6.751 1.00 0.00 H new ATOM 0 HD13 LEU A 21 15.582 9.340 -7.263 1.00 0.00 H new ATOM 0 HD21 LEU A 21 14.550 6.393 -7.348 1.00 0.00 H new ATOM 0 HD22 LEU A 21 16.095 6.833 -6.580 1.00 0.00 H new ATOM 0 HD23 LEU A 21 14.851 5.968 -5.646 1.00 0.00 H new ATOM 360 N PRO A 22 16.608 8.289 -1.896 1.00 0.00 N ATOM 361 CA PRO A 22 17.161 8.873 -0.685 1.00 0.00 C ATOM 362 C PRO A 22 17.162 10.401 -0.765 1.00 0.00 C ATOM 363 O PRO A 22 17.607 11.075 0.163 1.00 0.00 O ATOM 364 CB PRO A 22 18.556 8.284 -0.565 1.00 0.00 C ATOM 365 CG PRO A 22 18.907 7.758 -1.948 1.00 0.00 C ATOM 366 CD PRO A 22 17.628 7.713 -2.767 1.00 0.00 C ATOM 0 HA PRO A 22 16.569 8.643 0.201 1.00 0.00 H new ATOM 0 HB2 PRO A 22 19.272 9.039 -0.241 1.00 0.00 H new ATOM 0 HB3 PRO A 22 18.580 7.484 0.175 1.00 0.00 H new ATOM 0 HG2 PRO A 22 19.644 8.403 -2.426 1.00 0.00 H new ATOM 0 HG3 PRO A 22 19.351 6.765 -1.878 1.00 0.00 H new ATOM 0 HD2 PRO A 22 17.729 8.284 -3.690 1.00 0.00 H new ATOM 0 HD3 PRO A 22 17.375 6.691 -3.050 1.00 0.00 H new ATOM 374 N ASP A 23 16.659 10.904 -1.883 1.00 0.00 N ATOM 375 CA ASP A 23 16.596 12.340 -2.096 1.00 0.00 C ATOM 376 C ASP A 23 15.173 12.830 -1.823 1.00 0.00 C ATOM 377 O ASP A 23 14.840 13.977 -2.117 1.00 0.00 O ATOM 378 CB ASP A 23 16.951 12.698 -3.541 1.00 0.00 C ATOM 379 CG ASP A 23 18.401 13.132 -3.762 1.00 0.00 C ATOM 380 OD1 ASP A 23 19.234 12.229 -3.992 1.00 0.00 O ATOM 381 OD2 ASP A 23 18.643 14.357 -3.696 1.00 0.00 O ATOM 0 H ASP A 23 16.291 10.342 -2.651 1.00 0.00 H new ATOM 0 HA ASP A 23 17.310 12.813 -1.421 1.00 0.00 H new ATOM 0 HB2 ASP A 23 16.745 11.835 -4.174 1.00 0.00 H new ATOM 0 HB3 ASP A 23 16.293 13.501 -3.873 1.00 0.00 H new ATOM 386 N GLY A 24 14.370 11.937 -1.263 1.00 0.00 N ATOM 387 CA GLY A 24 12.990 12.264 -0.947 1.00 0.00 C ATOM 388 C GLY A 24 12.149 12.377 -2.220 1.00 0.00 C ATOM 389 O GLY A 24 11.371 13.318 -2.372 1.00 0.00 O ATOM 0 H GLY A 24 14.649 10.987 -1.020 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.570 11.497 -0.296 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.952 13.204 -0.397 1.00 0.00 H new ATOM 393 N THR A 25 12.332 11.405 -3.101 1.00 0.00 N ATOM 394 CA THR A 25 11.599 11.384 -4.355 1.00 0.00 C ATOM 395 C THR A 25 10.889 10.041 -4.536 1.00 0.00 C ATOM 396 O THR A 25 11.385 9.008 -4.088 1.00 0.00 O ATOM 397 CB THR A 25 12.582 11.708 -5.483 1.00 0.00 C ATOM 398 OG1 THR A 25 12.734 13.123 -5.414 1.00 0.00 O ATOM 399 CG2 THR A 25 11.983 11.464 -6.869 1.00 0.00 C ATOM 0 H THR A 25 12.977 10.626 -2.971 1.00 0.00 H new ATOM 0 HA THR A 25 10.811 12.137 -4.364 1.00 0.00 H new ATOM 0 HB THR A 25 13.482 11.104 -5.366 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.357 13.419 -6.110 1.00 0.00 H new ATOM 0 HG21 THR A 25 12.721 11.709 -7.633 1.00 0.00 H new ATOM 0 HG22 THR A 25 11.698 10.416 -6.963 1.00 0.00 H new ATOM 0 HG23 THR A 25 11.102 12.093 -7.001 1.00 0.00 H new ATOM 407 N VAL A 26 9.740 10.098 -5.192 1.00 0.00 N ATOM 408 CA VAL A 26 8.957 8.899 -5.437 1.00 0.00 C ATOM 409 C VAL A 26 8.472 8.899 -6.888 1.00 0.00 C ATOM 410 O VAL A 26 7.779 9.822 -7.315 1.00 0.00 O ATOM 411 CB VAL A 26 7.814 8.805 -4.425 1.00 0.00 C ATOM 412 CG1 VAL A 26 7.207 7.400 -4.412 1.00 0.00 C ATOM 413 CG2 VAL A 26 8.284 9.212 -3.027 1.00 0.00 C ATOM 0 H VAL A 26 9.332 10.957 -5.562 1.00 0.00 H new ATOM 0 HA VAL A 26 9.570 8.008 -5.299 1.00 0.00 H new ATOM 0 HB VAL A 26 7.036 9.503 -4.733 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.397 7.360 -3.684 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.817 7.163 -5.402 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.974 6.675 -4.141 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.452 9.136 -2.327 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.089 8.551 -2.707 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.646 10.240 -3.050 1.00 0.00 H new ATOM 423 N ASP A 27 8.856 7.854 -7.607 1.00 0.00 N ATOM 424 CA ASP A 27 8.469 7.722 -9.001 1.00 0.00 C ATOM 425 C ASP A 27 8.249 6.244 -9.327 1.00 0.00 C ATOM 426 O ASP A 27 8.702 5.368 -8.591 1.00 0.00 O ATOM 427 CB ASP A 27 9.563 8.253 -9.929 1.00 0.00 C ATOM 428 CG ASP A 27 10.519 9.263 -9.291 1.00 0.00 C ATOM 429 OD1 ASP A 27 11.457 8.801 -8.605 1.00 0.00 O ATOM 430 OD2 ASP A 27 10.290 10.474 -9.502 1.00 0.00 O ATOM 0 H ASP A 27 9.431 7.091 -7.250 1.00 0.00 H new ATOM 0 HA ASP A 27 7.556 8.298 -9.153 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.145 7.409 -10.300 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.090 8.719 -10.794 1.00 0.00 H new ATOM 435 N GLY A 28 7.554 6.011 -10.431 1.00 0.00 N ATOM 436 CA GLY A 28 7.268 4.654 -10.863 1.00 0.00 C ATOM 437 C GLY A 28 8.384 4.119 -11.763 1.00 0.00 C ATOM 438 O GLY A 28 8.985 4.872 -12.528 1.00 0.00 O ATOM 0 H GLY A 28 7.181 6.740 -11.039 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.156 4.007 -9.993 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.320 4.632 -11.401 1.00 0.00 H new ATOM 442 N THR A 29 8.629 2.822 -11.641 1.00 0.00 N ATOM 443 CA THR A 29 9.662 2.178 -12.434 1.00 0.00 C ATOM 444 C THR A 29 9.277 0.728 -12.734 1.00 0.00 C ATOM 445 O THR A 29 8.696 0.048 -11.889 1.00 0.00 O ATOM 446 CB THR A 29 10.987 2.310 -11.681 1.00 0.00 C ATOM 447 OG1 THR A 29 11.978 2.098 -12.682 1.00 0.00 O ATOM 448 CG2 THR A 29 11.213 1.170 -10.686 1.00 0.00 C ATOM 0 H THR A 29 8.130 2.200 -11.005 1.00 0.00 H new ATOM 0 HA THR A 29 9.773 2.660 -13.405 1.00 0.00 H new ATOM 0 HB THR A 29 11.009 3.263 -11.152 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.869 2.168 -12.280 1.00 0.00 H new ATOM 0 HG21 THR A 29 12.167 1.313 -10.179 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.409 1.165 -9.950 1.00 0.00 H new ATOM 0 HG23 THR A 29 11.224 0.219 -11.219 1.00 0.00 H new ATOM 456 N ARG A 30 9.615 0.297 -13.941 1.00 0.00 N ATOM 457 CA ARG A 30 9.312 -1.060 -14.363 1.00 0.00 C ATOM 458 C ARG A 30 10.605 -1.840 -14.611 1.00 0.00 C ATOM 459 O ARG A 30 10.726 -2.546 -15.611 1.00 0.00 O ATOM 460 CB ARG A 30 8.470 -1.063 -15.640 1.00 0.00 C ATOM 461 CG ARG A 30 8.737 0.189 -16.477 1.00 0.00 C ATOM 462 CD ARG A 30 8.225 0.012 -17.908 1.00 0.00 C ATOM 463 NE ARG A 30 8.815 1.045 -18.788 1.00 0.00 N ATOM 464 CZ ARG A 30 8.755 1.016 -20.127 1.00 0.00 C ATOM 465 NH1 ARG A 30 8.131 0.005 -20.747 1.00 0.00 N ATOM 466 NH2 ARG A 30 9.318 1.997 -20.844 1.00 0.00 N ATOM 0 H ARG A 30 10.096 0.864 -14.640 1.00 0.00 H new ATOM 0 HA ARG A 30 8.744 -1.537 -13.565 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.697 -1.953 -16.227 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.412 -1.113 -15.382 1.00 0.00 H new ATOM 0 HG2 ARG A 30 8.250 1.049 -16.017 1.00 0.00 H new ATOM 0 HG3 ARG A 30 9.807 0.399 -16.493 1.00 0.00 H new ATOM 0 HD2 ARG A 30 8.484 -0.981 -18.275 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.138 0.085 -17.926 1.00 0.00 H new ATOM 0 HE ARG A 30 9.298 1.828 -18.348 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.702 -0.742 -20.200 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.085 -0.018 -21.766 1.00 0.00 H new ATOM 0 HH21 ARG A 30 9.793 2.766 -20.371 1.00 0.00 H new ATOM 0 HH22 ARG A 30 9.272 1.975 -21.863 1.00 0.00 H new ATOM 480 N ASP A 31 11.539 -1.685 -13.684 1.00 0.00 N ATOM 481 CA ASP A 31 12.818 -2.367 -13.789 1.00 0.00 C ATOM 482 C ASP A 31 13.174 -2.986 -12.437 1.00 0.00 C ATOM 483 O ASP A 31 13.814 -2.344 -11.605 1.00 0.00 O ATOM 484 CB ASP A 31 13.932 -1.390 -14.170 1.00 0.00 C ATOM 485 CG ASP A 31 15.012 -1.967 -15.088 1.00 0.00 C ATOM 486 OD1 ASP A 31 14.840 -3.133 -15.504 1.00 0.00 O ATOM 487 OD2 ASP A 31 15.985 -1.228 -15.354 1.00 0.00 O ATOM 0 H ASP A 31 11.436 -1.097 -12.857 1.00 0.00 H new ATOM 0 HA ASP A 31 12.730 -3.133 -14.560 1.00 0.00 H new ATOM 0 HB2 ASP A 31 13.484 -0.525 -14.659 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.407 -1.030 -13.257 1.00 0.00 H new ATOM 492 N ARG A 32 12.744 -4.227 -12.258 1.00 0.00 N ATOM 493 CA ARG A 32 13.010 -4.940 -11.021 1.00 0.00 C ATOM 494 C ARG A 32 14.445 -4.682 -10.557 1.00 0.00 C ATOM 495 O ARG A 32 14.699 -4.541 -9.362 1.00 0.00 O ATOM 496 CB ARG A 32 12.801 -6.445 -11.197 1.00 0.00 C ATOM 497 CG ARG A 32 11.331 -6.766 -11.476 1.00 0.00 C ATOM 498 CD ARG A 32 11.076 -6.902 -12.979 1.00 0.00 C ATOM 499 NE ARG A 32 10.710 -8.299 -13.305 1.00 0.00 N ATOM 500 CZ ARG A 32 9.503 -8.833 -13.073 1.00 0.00 C ATOM 501 NH1 ARG A 32 8.539 -8.091 -12.512 1.00 0.00 N ATOM 502 NH2 ARG A 32 9.261 -10.109 -13.402 1.00 0.00 N ATOM 0 H ARG A 32 12.213 -4.756 -12.950 1.00 0.00 H new ATOM 0 HA ARG A 32 12.310 -4.573 -10.270 1.00 0.00 H new ATOM 0 HB2 ARG A 32 13.418 -6.808 -12.019 1.00 0.00 H new ATOM 0 HB3 ARG A 32 13.127 -6.969 -10.298 1.00 0.00 H new ATOM 0 HG2 ARG A 32 11.055 -7.692 -10.971 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.699 -5.979 -11.066 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.276 -6.227 -13.283 1.00 0.00 H new ATOM 0 HD3 ARG A 32 11.967 -6.611 -13.535 1.00 0.00 H new ATOM 0 HE ARG A 32 11.421 -8.892 -13.733 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.724 -7.120 -12.261 1.00 0.00 H new ATOM 0 HH12 ARG A 32 7.620 -8.497 -12.335 1.00 0.00 H new ATOM 0 HH21 ARG A 32 9.995 -10.674 -13.829 1.00 0.00 H new ATOM 0 HH22 ARG A 32 8.342 -10.516 -13.226 1.00 0.00 H new ATOM 516 N SER A 33 15.346 -4.628 -11.527 1.00 0.00 N ATOM 517 CA SER A 33 16.749 -4.390 -11.233 1.00 0.00 C ATOM 518 C SER A 33 16.882 -3.312 -10.155 1.00 0.00 C ATOM 519 O SER A 33 17.799 -3.357 -9.338 1.00 0.00 O ATOM 520 CB SER A 33 17.513 -3.979 -12.493 1.00 0.00 C ATOM 521 OG SER A 33 18.827 -4.530 -12.524 1.00 0.00 O ATOM 0 H SER A 33 15.132 -4.745 -12.517 1.00 0.00 H new ATOM 0 HA SER A 33 17.184 -5.319 -10.864 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.962 -4.307 -13.374 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.574 -2.892 -12.541 1.00 0.00 H new ATOM 0 HG SER A 33 19.282 -4.246 -13.344 1.00 0.00 H new ATOM 527 N ASP A 34 15.953 -2.368 -10.190 1.00 0.00 N ATOM 528 CA ASP A 34 15.955 -1.281 -9.227 1.00 0.00 C ATOM 529 C ASP A 34 16.239 -1.841 -7.832 1.00 0.00 C ATOM 530 O ASP A 34 15.642 -2.836 -7.425 1.00 0.00 O ATOM 531 CB ASP A 34 14.596 -0.578 -9.186 1.00 0.00 C ATOM 532 CG ASP A 34 14.561 0.716 -8.370 1.00 0.00 C ATOM 533 OD1 ASP A 34 15.360 0.805 -7.413 1.00 0.00 O ATOM 534 OD2 ASP A 34 13.736 1.586 -8.722 1.00 0.00 O ATOM 0 H ASP A 34 15.194 -2.334 -10.870 1.00 0.00 H new ATOM 0 HA ASP A 34 16.722 -0.567 -9.527 1.00 0.00 H new ATOM 0 HB2 ASP A 34 14.289 -0.354 -10.208 1.00 0.00 H new ATOM 0 HB3 ASP A 34 13.859 -1.268 -8.776 1.00 0.00 H new ATOM 539 N GLN A 35 17.152 -1.178 -7.137 1.00 0.00 N ATOM 540 CA GLN A 35 17.523 -1.597 -5.796 1.00 0.00 C ATOM 541 C GLN A 35 16.941 -0.635 -4.759 1.00 0.00 C ATOM 542 O GLN A 35 17.675 -0.071 -3.949 1.00 0.00 O ATOM 543 CB GLN A 35 19.043 -1.701 -5.655 1.00 0.00 C ATOM 544 CG GLN A 35 19.596 -2.845 -6.508 1.00 0.00 C ATOM 545 CD GLN A 35 19.597 -4.160 -5.726 1.00 0.00 C ATOM 546 OE1 GLN A 35 18.620 -4.543 -5.104 1.00 0.00 O ATOM 547 NE2 GLN A 35 20.745 -4.828 -5.793 1.00 0.00 N ATOM 0 H GLN A 35 17.646 -0.353 -7.478 1.00 0.00 H new ATOM 0 HA GLN A 35 17.106 -2.588 -5.618 1.00 0.00 H new ATOM 0 HB2 GLN A 35 19.505 -0.761 -5.957 1.00 0.00 H new ATOM 0 HB3 GLN A 35 19.305 -1.863 -4.609 1.00 0.00 H new ATOM 0 HG2 GLN A 35 18.994 -2.955 -7.410 1.00 0.00 H new ATOM 0 HG3 GLN A 35 20.610 -2.607 -6.828 1.00 0.00 H new ATOM 0 HE21 GLN A 35 21.524 -4.450 -6.332 1.00 0.00 H new ATOM 0 HE22 GLN A 35 20.846 -5.718 -5.305 1.00 0.00 H new ATOM 556 N HIS A 36 15.626 -0.477 -4.818 1.00 0.00 N ATOM 557 CA HIS A 36 14.937 0.407 -3.893 1.00 0.00 C ATOM 558 C HIS A 36 13.436 0.112 -3.923 1.00 0.00 C ATOM 559 O HIS A 36 12.791 0.049 -2.877 1.00 0.00 O ATOM 560 CB HIS A 36 15.259 1.871 -4.199 1.00 0.00 C ATOM 561 CG HIS A 36 15.314 2.757 -2.977 1.00 0.00 C ATOM 562 ND1 HIS A 36 14.434 2.626 -1.917 1.00 0.00 N ATOM 563 CD2 HIS A 36 16.152 3.784 -2.658 1.00 0.00 C ATOM 564 CE1 HIS A 36 14.738 3.540 -1.007 1.00 0.00 C ATOM 565 NE2 HIS A 36 15.803 4.257 -1.468 1.00 0.00 N ATOM 0 H HIS A 36 15.020 -0.946 -5.492 1.00 0.00 H new ATOM 0 HA HIS A 36 15.288 0.222 -2.878 1.00 0.00 H new ATOM 0 HB2 HIS A 36 16.218 1.921 -4.715 1.00 0.00 H new ATOM 0 HB3 HIS A 36 14.507 2.262 -4.885 1.00 0.00 H new ATOM 0 HD1 HIS A 36 13.680 1.943 -1.848 1.00 0.00 H new ATOM 0 HD2 HIS A 36 16.963 4.151 -3.270 1.00 0.00 H new ATOM 0 HE1 HIS A 36 14.231 3.691 -0.065 1.00 0.00 H new ATOM 573 N ILE A 37 12.924 -0.062 -5.132 1.00 0.00 N ATOM 574 CA ILE A 37 11.511 -0.350 -5.312 1.00 0.00 C ATOM 575 C ILE A 37 11.059 -1.351 -4.247 1.00 0.00 C ATOM 576 O ILE A 37 9.896 -1.355 -3.848 1.00 0.00 O ATOM 577 CB ILE A 37 11.236 -0.810 -6.745 1.00 0.00 C ATOM 578 CG1 ILE A 37 11.982 -2.109 -7.057 1.00 0.00 C ATOM 579 CG2 ILE A 37 11.567 0.297 -7.749 1.00 0.00 C ATOM 580 CD1 ILE A 37 11.545 -2.681 -8.407 1.00 0.00 C ATOM 0 H ILE A 37 13.462 -0.009 -5.997 1.00 0.00 H new ATOM 0 HA ILE A 37 10.917 0.554 -5.173 1.00 0.00 H new ATOM 0 HB ILE A 37 10.171 -1.021 -6.838 1.00 0.00 H new ATOM 0 HG12 ILE A 37 13.056 -1.922 -7.067 1.00 0.00 H new ATOM 0 HG13 ILE A 37 11.793 -2.839 -6.270 1.00 0.00 H new ATOM 0 HG21 ILE A 37 11.363 -0.056 -8.760 1.00 0.00 H new ATOM 0 HG22 ILE A 37 10.954 1.173 -7.540 1.00 0.00 H new ATOM 0 HG23 ILE A 37 12.621 0.563 -7.663 1.00 0.00 H new ATOM 0 HD11 ILE A 37 12.090 -3.604 -8.605 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.475 -2.889 -8.385 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.758 -1.958 -9.195 1.00 0.00 H new ATOM 592 N GLN A 38 12.003 -2.176 -3.819 1.00 0.00 N ATOM 593 CA GLN A 38 11.717 -3.180 -2.808 1.00 0.00 C ATOM 594 C GLN A 38 11.285 -2.510 -1.502 1.00 0.00 C ATOM 595 O GLN A 38 12.124 -2.159 -0.673 1.00 0.00 O ATOM 596 CB GLN A 38 12.924 -4.092 -2.583 1.00 0.00 C ATOM 597 CG GLN A 38 13.185 -4.969 -3.810 1.00 0.00 C ATOM 598 CD GLN A 38 14.449 -5.811 -3.623 1.00 0.00 C ATOM 599 OE1 GLN A 38 15.553 -5.398 -3.936 1.00 0.00 O ATOM 600 NE2 GLN A 38 14.226 -7.012 -3.097 1.00 0.00 N ATOM 0 H GLN A 38 12.967 -2.170 -4.154 1.00 0.00 H new ATOM 0 HA GLN A 38 10.895 -3.802 -3.164 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.806 -3.488 -2.369 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.750 -4.723 -1.711 1.00 0.00 H new ATOM 0 HG2 GLN A 38 12.330 -5.623 -3.983 1.00 0.00 H new ATOM 0 HG3 GLN A 38 13.290 -4.341 -4.695 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.276 -7.295 -2.857 1.00 0.00 H new ATOM 0 HE22 GLN A 38 15.005 -7.650 -2.933 1.00 0.00 H new ATOM 609 N LEU A 39 9.977 -2.354 -1.358 1.00 0.00 N ATOM 610 CA LEU A 39 9.424 -1.733 -0.167 1.00 0.00 C ATOM 611 C LEU A 39 8.814 -2.812 0.729 1.00 0.00 C ATOM 612 O LEU A 39 8.295 -3.813 0.237 1.00 0.00 O ATOM 613 CB LEU A 39 8.442 -0.623 -0.548 1.00 0.00 C ATOM 614 CG LEU A 39 9.034 0.562 -1.315 1.00 0.00 C ATOM 615 CD1 LEU A 39 7.929 1.444 -1.899 1.00 0.00 C ATOM 616 CD2 LEU A 39 9.997 1.359 -0.433 1.00 0.00 C ATOM 0 H LEU A 39 9.284 -2.647 -2.047 1.00 0.00 H new ATOM 0 HA LEU A 39 10.211 -1.247 0.409 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.647 -1.060 -1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.979 -0.246 0.364 1.00 0.00 H new ATOM 0 HG LEU A 39 9.612 0.172 -2.153 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.377 2.278 -2.439 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.317 0.856 -2.583 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.305 1.827 -1.092 1.00 0.00 H new ATOM 0 HD21 LEU A 39 10.404 2.195 -1.002 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.463 1.738 0.438 1.00 0.00 H new ATOM 0 HD23 LEU A 39 10.811 0.712 -0.106 1.00 0.00 H new ATOM 628 N GLN A 40 8.896 -2.572 2.030 1.00 0.00 N ATOM 629 CA GLN A 40 8.359 -3.512 3.000 1.00 0.00 C ATOM 630 C GLN A 40 7.057 -2.972 3.596 1.00 0.00 C ATOM 631 O GLN A 40 7.056 -1.933 4.254 1.00 0.00 O ATOM 632 CB GLN A 40 9.382 -3.812 4.097 1.00 0.00 C ATOM 633 CG GLN A 40 10.035 -5.179 3.878 1.00 0.00 C ATOM 634 CD GLN A 40 9.451 -6.224 4.831 1.00 0.00 C ATOM 635 OE1 GLN A 40 10.075 -6.644 5.791 1.00 0.00 O ATOM 636 NE2 GLN A 40 8.221 -6.619 4.513 1.00 0.00 N ATOM 0 H GLN A 40 9.326 -1.740 2.435 1.00 0.00 H new ATOM 0 HA GLN A 40 8.140 -4.449 2.488 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.148 -3.036 4.107 1.00 0.00 H new ATOM 0 HB3 GLN A 40 8.893 -3.790 5.071 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.884 -5.497 2.847 1.00 0.00 H new ATOM 0 HG3 GLN A 40 11.111 -5.101 4.033 1.00 0.00 H new ATOM 0 HE21 GLN A 40 7.755 -6.227 3.695 1.00 0.00 H new ATOM 0 HE22 GLN A 40 7.744 -7.314 5.087 1.00 0.00 H new ATOM 645 N LEU A 41 5.981 -3.703 3.345 1.00 0.00 N ATOM 646 CA LEU A 41 4.676 -3.310 3.849 1.00 0.00 C ATOM 647 C LEU A 41 4.440 -3.970 5.209 1.00 0.00 C ATOM 648 O LEU A 41 4.724 -5.154 5.387 1.00 0.00 O ATOM 649 CB LEU A 41 3.588 -3.620 2.819 1.00 0.00 C ATOM 650 CG LEU A 41 3.381 -2.568 1.727 1.00 0.00 C ATOM 651 CD1 LEU A 41 3.896 -3.071 0.377 1.00 0.00 C ATOM 652 CD2 LEU A 41 1.915 -2.134 1.655 1.00 0.00 C ATOM 0 H LEU A 41 5.986 -4.565 2.800 1.00 0.00 H new ATOM 0 HA LEU A 41 4.637 -2.232 4.005 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.828 -4.570 2.341 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.644 -3.758 3.347 1.00 0.00 H new ATOM 0 HG LEU A 41 3.966 -1.686 1.987 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.737 -2.305 -0.382 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.961 -3.291 0.453 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.358 -3.976 0.097 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.795 -1.386 0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.290 -2.998 1.430 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.614 -1.708 2.612 1.00 0.00 H new ATOM 664 N SER A 42 3.922 -3.176 6.135 1.00 0.00 N ATOM 665 CA SER A 42 3.645 -3.668 7.473 1.00 0.00 C ATOM 666 C SER A 42 2.250 -3.221 7.917 1.00 0.00 C ATOM 667 O SER A 42 1.687 -2.284 7.354 1.00 0.00 O ATOM 668 CB SER A 42 4.700 -3.181 8.469 1.00 0.00 C ATOM 669 OG SER A 42 6.019 -3.277 7.939 1.00 0.00 O ATOM 0 H SER A 42 3.687 -2.195 5.984 1.00 0.00 H new ATOM 0 HA SER A 42 3.681 -4.757 7.451 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.493 -2.146 8.740 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.633 -3.769 9.384 1.00 0.00 H new ATOM 0 HG SER A 42 6.663 -2.955 8.604 1.00 0.00 H new ATOM 675 N ALA A 43 1.734 -3.914 8.921 1.00 0.00 N ATOM 676 CA ALA A 43 0.416 -3.600 9.447 1.00 0.00 C ATOM 677 C ALA A 43 0.539 -3.207 10.920 1.00 0.00 C ATOM 678 O ALA A 43 1.104 -3.952 11.719 1.00 0.00 O ATOM 679 CB ALA A 43 -0.516 -4.796 9.237 1.00 0.00 C ATOM 0 H ALA A 43 2.204 -4.692 9.384 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.017 -2.752 8.916 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.504 -4.561 9.631 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.593 -5.015 8.172 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.115 -5.666 9.758 1.00 0.00 H new ATOM 685 N GLU A 44 0.000 -2.038 11.235 1.00 0.00 N ATOM 686 CA GLU A 44 0.043 -1.538 12.599 1.00 0.00 C ATOM 687 C GLU A 44 -1.349 -1.601 13.231 1.00 0.00 C ATOM 688 O GLU A 44 -1.499 -2.045 14.368 1.00 0.00 O ATOM 689 CB GLU A 44 0.602 -0.115 12.644 1.00 0.00 C ATOM 690 CG GLU A 44 -0.069 0.703 13.749 1.00 0.00 C ATOM 691 CD GLU A 44 0.844 1.835 14.224 1.00 0.00 C ATOM 692 OE1 GLU A 44 2.055 1.563 14.375 1.00 0.00 O ATOM 693 OE2 GLU A 44 0.311 2.948 14.426 1.00 0.00 O ATOM 0 H GLU A 44 -0.468 -1.423 10.570 1.00 0.00 H new ATOM 0 HA GLU A 44 0.713 -2.174 13.178 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.678 -0.148 12.814 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.446 0.371 11.681 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.007 1.118 13.381 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.316 0.053 14.589 1.00 0.00 H new ATOM 700 N SER A 45 -2.332 -1.149 12.466 1.00 0.00 N ATOM 701 CA SER A 45 -3.707 -1.148 12.937 1.00 0.00 C ATOM 702 C SER A 45 -4.610 -1.843 11.917 1.00 0.00 C ATOM 703 O SER A 45 -4.202 -2.079 10.780 1.00 0.00 O ATOM 704 CB SER A 45 -4.199 0.277 13.198 1.00 0.00 C ATOM 705 OG SER A 45 -3.121 1.180 13.428 1.00 0.00 O ATOM 0 H SER A 45 -2.204 -0.781 11.523 1.00 0.00 H new ATOM 0 HA SER A 45 -3.746 -1.695 13.879 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.784 0.621 12.345 1.00 0.00 H new ATOM 0 HB3 SER A 45 -4.864 0.279 14.062 1.00 0.00 H new ATOM 0 HG SER A 45 -3.283 2.014 12.939 1.00 0.00 H new ATOM 711 N VAL A 46 -5.820 -2.152 12.359 1.00 0.00 N ATOM 712 CA VAL A 46 -6.785 -2.816 11.498 1.00 0.00 C ATOM 713 C VAL A 46 -7.079 -1.926 10.288 1.00 0.00 C ATOM 714 O VAL A 46 -7.497 -0.780 10.443 1.00 0.00 O ATOM 715 CB VAL A 46 -8.040 -3.173 12.296 1.00 0.00 C ATOM 716 CG1 VAL A 46 -8.662 -1.926 12.927 1.00 0.00 C ATOM 717 CG2 VAL A 46 -9.056 -3.909 11.420 1.00 0.00 C ATOM 0 H VAL A 46 -6.155 -1.955 13.302 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.378 -3.754 11.121 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.744 -3.844 13.102 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -9.553 -2.208 13.489 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.941 -1.460 13.599 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.936 -1.220 12.143 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -9.939 -4.151 12.012 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.344 -3.272 10.583 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -8.610 -4.828 11.040 1.00 0.00 H new ATOM 727 N GLY A 47 -6.848 -2.488 9.111 1.00 0.00 N ATOM 728 CA GLY A 47 -7.082 -1.760 7.875 1.00 0.00 C ATOM 729 C GLY A 47 -6.001 -0.702 7.648 1.00 0.00 C ATOM 730 O GLY A 47 -6.106 0.111 6.732 1.00 0.00 O ATOM 0 H GLY A 47 -6.501 -3.439 8.987 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.096 -2.456 7.036 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.061 -1.283 7.910 1.00 0.00 H new ATOM 734 N GLU A 48 -4.987 -0.747 8.499 1.00 0.00 N ATOM 735 CA GLU A 48 -3.887 0.198 8.403 1.00 0.00 C ATOM 736 C GLU A 48 -2.590 -0.531 8.048 1.00 0.00 C ATOM 737 O GLU A 48 -2.281 -1.572 8.626 1.00 0.00 O ATOM 738 CB GLU A 48 -3.732 0.993 9.702 1.00 0.00 C ATOM 739 CG GLU A 48 -5.030 1.720 10.058 1.00 0.00 C ATOM 740 CD GLU A 48 -4.747 2.967 10.898 1.00 0.00 C ATOM 741 OE1 GLU A 48 -4.507 2.791 12.112 1.00 0.00 O ATOM 742 OE2 GLU A 48 -4.776 4.068 10.307 1.00 0.00 O ATOM 0 H GLU A 48 -4.904 -1.423 9.258 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.112 0.907 7.606 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.454 0.320 10.513 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.923 1.716 9.596 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.555 2.003 9.145 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.688 1.048 10.609 1.00 0.00 H new ATOM 749 N VAL A 49 -1.865 0.044 7.100 1.00 0.00 N ATOM 750 CA VAL A 49 -0.608 -0.538 6.661 1.00 0.00 C ATOM 751 C VAL A 49 0.466 0.550 6.619 1.00 0.00 C ATOM 752 O VAL A 49 0.150 1.737 6.556 1.00 0.00 O ATOM 753 CB VAL A 49 -0.799 -1.243 5.317 1.00 0.00 C ATOM 754 CG1 VAL A 49 -1.875 -2.326 5.413 1.00 0.00 C ATOM 755 CG2 VAL A 49 -1.131 -0.236 4.213 1.00 0.00 C ATOM 0 H VAL A 49 -2.124 0.908 6.623 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.272 -1.298 7.366 1.00 0.00 H new ATOM 0 HB VAL A 49 0.141 -1.729 5.057 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.990 -2.811 4.444 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.581 -3.066 6.157 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.822 -1.873 5.707 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.262 -0.763 3.268 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.051 0.291 4.466 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.316 0.482 4.119 1.00 0.00 H new ATOM 765 N TYR A 50 1.714 0.107 6.655 1.00 0.00 N ATOM 766 CA TYR A 50 2.837 1.029 6.622 1.00 0.00 C ATOM 767 C TYR A 50 3.825 0.649 5.517 1.00 0.00 C ATOM 768 O TYR A 50 4.211 -0.513 5.397 1.00 0.00 O ATOM 769 CB TYR A 50 3.531 0.897 7.978 1.00 0.00 C ATOM 770 CG TYR A 50 3.189 2.016 8.964 1.00 0.00 C ATOM 771 CD1 TYR A 50 3.608 3.307 8.714 1.00 0.00 C ATOM 772 CD2 TYR A 50 2.462 1.734 10.102 1.00 0.00 C ATOM 773 CE1 TYR A 50 3.286 4.361 9.642 1.00 0.00 C ATOM 774 CE2 TYR A 50 2.140 2.788 11.030 1.00 0.00 C ATOM 775 CZ TYR A 50 2.568 4.049 10.754 1.00 0.00 C ATOM 776 OH TYR A 50 2.264 5.044 11.630 1.00 0.00 O ATOM 0 H TYR A 50 1.973 -0.878 6.707 1.00 0.00 H new ATOM 0 HA TYR A 50 2.494 2.045 6.425 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.259 -0.060 8.422 1.00 0.00 H new ATOM 0 HB3 TYR A 50 4.610 0.881 7.822 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.177 3.527 7.823 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.134 0.724 10.297 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.607 5.376 9.459 1.00 0.00 H new ATOM 0 HE2 TYR A 50 1.572 2.581 11.925 1.00 0.00 H new ATOM 0 HH TYR A 50 1.747 4.676 12.377 1.00 0.00 H new ATOM 786 N ILE A 51 4.206 1.651 4.738 1.00 0.00 N ATOM 787 CA ILE A 51 5.142 1.436 3.647 1.00 0.00 C ATOM 788 C ILE A 51 6.430 2.213 3.926 1.00 0.00 C ATOM 789 O ILE A 51 6.428 3.443 3.940 1.00 0.00 O ATOM 790 CB ILE A 51 4.492 1.785 2.307 1.00 0.00 C ATOM 791 CG1 ILE A 51 3.035 1.319 2.266 1.00 0.00 C ATOM 792 CG2 ILE A 51 5.306 1.224 1.140 1.00 0.00 C ATOM 793 CD1 ILE A 51 2.371 1.710 0.944 1.00 0.00 C ATOM 0 H ILE A 51 3.884 2.613 4.840 1.00 0.00 H new ATOM 0 HA ILE A 51 5.413 0.382 3.579 1.00 0.00 H new ATOM 0 HB ILE A 51 4.486 2.870 2.203 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.992 0.237 2.393 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.485 1.760 3.098 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.822 1.486 0.199 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.311 1.646 1.161 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.366 0.139 1.227 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.336 1.367 0.941 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.394 2.794 0.832 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.909 1.248 0.116 1.00 0.00 H new ATOM 805 N LYS A 52 7.501 1.462 4.143 1.00 0.00 N ATOM 806 CA LYS A 52 8.793 2.065 4.421 1.00 0.00 C ATOM 807 C LYS A 52 9.852 1.429 3.518 1.00 0.00 C ATOM 808 O LYS A 52 9.725 0.270 3.126 1.00 0.00 O ATOM 809 CB LYS A 52 9.119 1.969 5.913 1.00 0.00 C ATOM 810 CG LYS A 52 10.624 2.103 6.155 1.00 0.00 C ATOM 811 CD LYS A 52 10.967 1.854 7.625 1.00 0.00 C ATOM 812 CE LYS A 52 11.265 0.374 7.876 1.00 0.00 C ATOM 813 NZ LYS A 52 12.064 0.208 9.111 1.00 0.00 N ATOM 0 H LYS A 52 7.500 0.442 4.132 1.00 0.00 H new ATOM 0 HA LYS A 52 8.774 3.130 4.190 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.589 2.751 6.456 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.768 1.015 6.305 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.162 1.393 5.527 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.955 3.100 5.864 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.831 2.455 7.907 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.137 2.173 8.255 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.331 -0.181 7.963 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.806 -0.043 7.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.257 -0.802 9.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.963 0.722 9.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.534 0.588 9.921 1.00 0.00 H new ATOM 827 N SER A 53 10.874 2.216 3.214 1.00 0.00 N ATOM 828 CA SER A 53 11.955 1.744 2.365 1.00 0.00 C ATOM 829 C SER A 53 12.960 0.942 3.194 1.00 0.00 C ATOM 830 O SER A 53 13.323 1.346 4.297 1.00 0.00 O ATOM 831 CB SER A 53 12.655 2.911 1.666 1.00 0.00 C ATOM 832 OG SER A 53 12.142 3.133 0.355 1.00 0.00 O ATOM 0 H SER A 53 10.976 3.177 3.540 1.00 0.00 H new ATOM 0 HA SER A 53 11.530 1.098 1.597 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.533 3.816 2.261 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.725 2.710 1.608 1.00 0.00 H new ATOM 0 HG SER A 53 12.427 2.405 -0.235 1.00 0.00 H new ATOM 838 N THR A 54 13.380 -0.181 2.630 1.00 0.00 N ATOM 839 CA THR A 54 14.336 -1.044 3.303 1.00 0.00 C ATOM 840 C THR A 54 15.753 -0.768 2.796 1.00 0.00 C ATOM 841 O THR A 54 16.687 -1.498 3.125 1.00 0.00 O ATOM 842 CB THR A 54 13.889 -2.493 3.100 1.00 0.00 C ATOM 843 OG1 THR A 54 14.041 -2.711 1.700 1.00 0.00 O ATOM 844 CG2 THR A 54 12.391 -2.684 3.347 1.00 0.00 C ATOM 0 H THR A 54 13.076 -0.513 1.715 1.00 0.00 H new ATOM 0 HA THR A 54 14.364 -0.844 4.374 1.00 0.00 H new ATOM 0 HB THR A 54 14.453 -3.143 3.769 1.00 0.00 H new ATOM 0 HG1 THR A 54 13.218 -2.450 1.237 1.00 0.00 H new ATOM 0 HG21 THR A 54 12.127 -3.730 3.189 1.00 0.00 H new ATOM 0 HG22 THR A 54 12.152 -2.400 4.372 1.00 0.00 H new ATOM 0 HG23 THR A 54 11.826 -2.059 2.656 1.00 0.00 H new ATOM 852 N GLU A 55 15.868 0.286 2.003 1.00 0.00 N ATOM 853 CA GLU A 55 17.155 0.668 1.447 1.00 0.00 C ATOM 854 C GLU A 55 17.745 1.842 2.230 1.00 0.00 C ATOM 855 O GLU A 55 18.740 1.685 2.936 1.00 0.00 O ATOM 856 CB GLU A 55 17.031 1.007 -0.040 1.00 0.00 C ATOM 857 CG GLU A 55 18.398 1.342 -0.642 1.00 0.00 C ATOM 858 CD GLU A 55 19.194 0.069 -0.935 1.00 0.00 C ATOM 859 OE1 GLU A 55 18.550 -0.924 -1.337 1.00 0.00 O ATOM 860 OE2 GLU A 55 20.430 0.117 -0.751 1.00 0.00 O ATOM 0 H GLU A 55 15.091 0.888 1.732 1.00 0.00 H new ATOM 0 HA GLU A 55 17.834 -0.180 1.537 1.00 0.00 H new ATOM 0 HB2 GLU A 55 16.591 0.164 -0.573 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.356 1.853 -0.169 1.00 0.00 H new ATOM 0 HG2 GLU A 55 18.265 1.912 -1.562 1.00 0.00 H new ATOM 0 HG3 GLU A 55 18.958 1.975 0.047 1.00 0.00 H new ATOM 867 N THR A 56 17.106 2.993 2.079 1.00 0.00 N ATOM 868 CA THR A 56 17.555 4.194 2.763 1.00 0.00 C ATOM 869 C THR A 56 16.989 4.241 4.183 1.00 0.00 C ATOM 870 O THR A 56 17.728 4.452 5.144 1.00 0.00 O ATOM 871 CB THR A 56 17.158 5.400 1.910 1.00 0.00 C ATOM 872 OG1 THR A 56 15.736 5.334 1.854 1.00 0.00 O ATOM 873 CG2 THR A 56 17.596 5.255 0.451 1.00 0.00 C ATOM 0 H THR A 56 16.281 3.119 1.493 1.00 0.00 H new ATOM 0 HA THR A 56 18.639 4.202 2.878 1.00 0.00 H new ATOM 0 HB THR A 56 17.598 6.303 2.333 1.00 0.00 H new ATOM 0 HG1 THR A 56 15.433 5.569 0.952 1.00 0.00 H new ATOM 0 HG21 THR A 56 17.290 6.138 -0.110 1.00 0.00 H new ATOM 0 HG22 THR A 56 18.680 5.154 0.405 1.00 0.00 H new ATOM 0 HG23 THR A 56 17.130 4.370 0.018 1.00 0.00 H new ATOM 881 N GLY A 57 15.682 4.042 4.272 1.00 0.00 N ATOM 882 CA GLY A 57 15.008 4.059 5.559 1.00 0.00 C ATOM 883 C GLY A 57 14.034 5.236 5.652 1.00 0.00 C ATOM 884 O GLY A 57 13.971 5.914 6.676 1.00 0.00 O ATOM 0 H GLY A 57 15.072 3.868 3.473 1.00 0.00 H new ATOM 0 HA2 GLY A 57 14.468 3.123 5.703 1.00 0.00 H new ATOM 0 HA3 GLY A 57 15.745 4.128 6.359 1.00 0.00 H new ATOM 888 N GLN A 58 13.299 5.441 4.569 1.00 0.00 N ATOM 889 CA GLN A 58 12.331 6.524 4.516 1.00 0.00 C ATOM 890 C GLN A 58 10.916 5.963 4.359 1.00 0.00 C ATOM 891 O GLN A 58 10.696 5.032 3.587 1.00 0.00 O ATOM 892 CB GLN A 58 12.663 7.500 3.386 1.00 0.00 C ATOM 893 CG GLN A 58 14.166 7.777 3.324 1.00 0.00 C ATOM 894 CD GLN A 58 14.544 8.460 2.008 1.00 0.00 C ATOM 895 OE1 GLN A 58 15.156 9.515 1.980 1.00 0.00 O ATOM 896 NE2 GLN A 58 14.147 7.802 0.923 1.00 0.00 N ATOM 0 H GLN A 58 13.354 4.876 3.722 1.00 0.00 H new ATOM 0 HA GLN A 58 12.380 7.076 5.454 1.00 0.00 H new ATOM 0 HB2 GLN A 58 12.326 7.088 2.435 1.00 0.00 H new ATOM 0 HB3 GLN A 58 12.123 8.435 3.538 1.00 0.00 H new ATOM 0 HG2 GLN A 58 14.458 8.409 4.163 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.716 6.841 3.423 1.00 0.00 H new ATOM 0 HE21 GLN A 58 13.638 6.923 1.017 1.00 0.00 H new ATOM 0 HE22 GLN A 58 14.351 8.176 -0.004 1.00 0.00 H new ATOM 905 N TYR A 59 9.994 6.555 5.104 1.00 0.00 N ATOM 906 CA TYR A 59 8.606 6.127 5.057 1.00 0.00 C ATOM 907 C TYR A 59 7.863 6.801 3.902 1.00 0.00 C ATOM 908 O TYR A 59 8.097 7.972 3.608 1.00 0.00 O ATOM 909 CB TYR A 59 7.982 6.575 6.380 1.00 0.00 C ATOM 910 CG TYR A 59 8.621 5.940 7.616 1.00 0.00 C ATOM 911 CD1 TYR A 59 8.258 4.666 8.003 1.00 0.00 C ATOM 912 CD2 TYR A 59 9.560 6.641 8.344 1.00 0.00 C ATOM 913 CE1 TYR A 59 8.860 4.068 9.167 1.00 0.00 C ATOM 914 CE2 TYR A 59 10.162 6.044 9.508 1.00 0.00 C ATOM 915 CZ TYR A 59 9.782 4.787 9.862 1.00 0.00 C ATOM 916 OH TYR A 59 10.350 4.222 10.961 1.00 0.00 O ATOM 0 H TYR A 59 10.181 7.327 5.743 1.00 0.00 H new ATOM 0 HA TYR A 59 8.541 5.049 4.908 1.00 0.00 H new ATOM 0 HB2 TYR A 59 8.062 7.659 6.459 1.00 0.00 H new ATOM 0 HB3 TYR A 59 6.919 6.334 6.369 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.523 4.117 7.433 1.00 0.00 H new ATOM 0 HD2 TYR A 59 9.844 7.638 8.041 1.00 0.00 H new ATOM 0 HE1 TYR A 59 8.586 3.072 9.481 1.00 0.00 H new ATOM 0 HE2 TYR A 59 10.898 6.582 10.087 1.00 0.00 H new ATOM 0 HH TYR A 59 10.991 4.849 11.357 1.00 0.00 H new ATOM 926 N LEU A 60 6.982 6.032 3.278 1.00 0.00 N ATOM 927 CA LEU A 60 6.204 6.540 2.162 1.00 0.00 C ATOM 928 C LEU A 60 4.996 7.311 2.697 1.00 0.00 C ATOM 929 O LEU A 60 4.139 6.741 3.371 1.00 0.00 O ATOM 930 CB LEU A 60 5.833 5.404 1.206 1.00 0.00 C ATOM 931 CG LEU A 60 4.863 5.765 0.079 1.00 0.00 C ATOM 932 CD1 LEU A 60 5.609 5.980 -1.239 1.00 0.00 C ATOM 933 CD2 LEU A 60 3.759 4.714 -0.052 1.00 0.00 C ATOM 0 H LEU A 60 6.790 5.061 3.525 1.00 0.00 H new ATOM 0 HA LEU A 60 6.796 7.241 1.574 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.749 5.018 0.760 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.396 4.593 1.789 1.00 0.00 H new ATOM 0 HG LEU A 60 4.380 6.709 0.333 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.896 6.235 -2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.327 6.792 -1.123 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.136 5.066 -1.512 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.083 4.995 -0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.204 3.744 -0.272 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.201 4.654 0.883 1.00 0.00 H new ATOM 945 N ALA A 61 4.966 8.597 2.378 1.00 0.00 N ATOM 946 CA ALA A 61 3.877 9.452 2.818 1.00 0.00 C ATOM 947 C ALA A 61 3.480 10.393 1.679 1.00 0.00 C ATOM 948 O ALA A 61 4.304 10.723 0.827 1.00 0.00 O ATOM 949 CB ALA A 61 4.300 10.209 4.079 1.00 0.00 C ATOM 0 H ALA A 61 5.679 9.067 1.820 1.00 0.00 H new ATOM 0 HA ALA A 61 3.001 8.856 3.073 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.483 10.851 4.409 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.543 9.496 4.867 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.176 10.820 3.860 1.00 0.00 H new ATOM 955 N MET A 62 2.219 10.799 1.701 1.00 0.00 N ATOM 956 CA MET A 62 1.704 11.696 0.681 1.00 0.00 C ATOM 957 C MET A 62 1.471 13.097 1.249 1.00 0.00 C ATOM 958 O MET A 62 0.636 13.281 2.134 1.00 0.00 O ATOM 959 CB MET A 62 0.388 11.142 0.132 1.00 0.00 C ATOM 960 CG MET A 62 -0.226 12.100 -0.892 1.00 0.00 C ATOM 961 SD MET A 62 -1.704 11.382 -1.590 1.00 0.00 S ATOM 962 CE MET A 62 -1.015 9.908 -2.324 1.00 0.00 C ATOM 0 H MET A 62 1.539 10.523 2.409 1.00 0.00 H new ATOM 0 HA MET A 62 2.441 11.767 -0.119 1.00 0.00 H new ATOM 0 HB2 MET A 62 0.563 10.172 -0.332 1.00 0.00 H new ATOM 0 HB3 MET A 62 -0.313 10.982 0.951 1.00 0.00 H new ATOM 0 HG2 MET A 62 -0.464 13.051 -0.416 1.00 0.00 H new ATOM 0 HG3 MET A 62 0.494 12.311 -1.683 1.00 0.00 H new ATOM 0 HE1 MET A 62 -1.611 9.620 -3.190 1.00 0.00 H new ATOM 0 HE2 MET A 62 0.010 10.103 -2.638 1.00 0.00 H new ATOM 0 HE3 MET A 62 -1.023 9.100 -1.593 1.00 0.00 H new ATOM 972 N ASP A 63 2.223 14.050 0.718 1.00 0.00 N ATOM 973 CA ASP A 63 2.109 15.429 1.161 1.00 0.00 C ATOM 974 C ASP A 63 0.762 15.996 0.707 1.00 0.00 C ATOM 975 O ASP A 63 -0.080 15.265 0.188 1.00 0.00 O ATOM 976 CB ASP A 63 3.215 16.295 0.556 1.00 0.00 C ATOM 977 CG ASP A 63 4.417 16.541 1.471 1.00 0.00 C ATOM 978 OD1 ASP A 63 4.179 16.716 2.685 1.00 0.00 O ATOM 979 OD2 ASP A 63 5.546 16.548 0.935 1.00 0.00 O ATOM 0 H ASP A 63 2.914 13.894 -0.016 1.00 0.00 H new ATOM 0 HA ASP A 63 2.195 15.443 2.248 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.566 15.821 -0.361 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.789 17.258 0.274 1.00 0.00 H new ATOM 984 N THR A 64 0.602 17.294 0.918 1.00 0.00 N ATOM 985 CA THR A 64 -0.628 17.968 0.537 1.00 0.00 C ATOM 986 C THR A 64 -0.660 18.204 -0.974 1.00 0.00 C ATOM 987 O THR A 64 -1.727 18.407 -1.552 1.00 0.00 O ATOM 988 CB THR A 64 -0.735 19.256 1.355 1.00 0.00 C ATOM 989 OG1 THR A 64 0.371 20.039 0.915 1.00 0.00 O ATOM 990 CG2 THR A 64 -0.462 19.028 2.844 1.00 0.00 C ATOM 0 H THR A 64 1.303 17.897 1.348 1.00 0.00 H new ATOM 0 HA THR A 64 -1.500 17.353 0.757 1.00 0.00 H new ATOM 0 HB THR A 64 -1.729 19.684 1.230 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.377 20.894 1.394 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.551 19.973 3.379 1.00 0.00 H new ATOM 0 HG22 THR A 64 -1.186 18.317 3.242 1.00 0.00 H new ATOM 0 HG23 THR A 64 0.545 18.631 2.973 1.00 0.00 H new ATOM 998 N ASP A 65 0.522 18.170 -1.572 1.00 0.00 N ATOM 999 CA ASP A 65 0.643 18.377 -3.005 1.00 0.00 C ATOM 1000 C ASP A 65 0.003 17.199 -3.742 1.00 0.00 C ATOM 1001 O ASP A 65 -0.211 17.262 -4.952 1.00 0.00 O ATOM 1002 CB ASP A 65 2.111 18.459 -3.428 1.00 0.00 C ATOM 1003 CG ASP A 65 2.926 19.547 -2.727 1.00 0.00 C ATOM 1004 OD1 ASP A 65 2.463 20.708 -2.752 1.00 0.00 O ATOM 1005 OD2 ASP A 65 3.994 19.194 -2.182 1.00 0.00 O ATOM 0 H ASP A 65 1.405 18.002 -1.090 1.00 0.00 H new ATOM 0 HA ASP A 65 0.144 19.313 -3.254 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.582 17.495 -3.239 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.155 18.630 -4.504 1.00 0.00 H new ATOM 1010 N GLY A 66 -0.284 16.152 -2.983 1.00 0.00 N ATOM 1011 CA GLY A 66 -0.895 14.962 -3.549 1.00 0.00 C ATOM 1012 C GLY A 66 0.171 13.971 -4.022 1.00 0.00 C ATOM 1013 O GLY A 66 -0.143 12.831 -4.360 1.00 0.00 O ATOM 0 H GLY A 66 -0.105 16.103 -1.980 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.533 14.487 -2.804 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.535 15.240 -4.386 1.00 0.00 H new ATOM 1017 N LEU A 67 1.409 14.443 -4.032 1.00 0.00 N ATOM 1018 CA LEU A 67 2.522 13.612 -4.458 1.00 0.00 C ATOM 1019 C LEU A 67 3.048 12.818 -3.261 1.00 0.00 C ATOM 1020 O LEU A 67 2.681 13.092 -2.120 1.00 0.00 O ATOM 1021 CB LEU A 67 3.591 14.462 -5.149 1.00 0.00 C ATOM 1022 CG LEU A 67 3.117 15.296 -6.342 1.00 0.00 C ATOM 1023 CD1 LEU A 67 1.903 14.651 -7.014 1.00 0.00 C ATOM 1024 CD2 LEU A 67 2.840 16.742 -5.925 1.00 0.00 C ATOM 0 H LEU A 67 1.666 15.390 -3.752 1.00 0.00 H new ATOM 0 HA LEU A 67 2.193 12.887 -5.202 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.025 15.135 -4.410 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.390 13.802 -5.487 1.00 0.00 H new ATOM 0 HG LEU A 67 3.918 15.322 -7.080 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.586 15.263 -7.858 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.169 13.655 -7.368 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.087 14.574 -6.295 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.505 17.313 -6.791 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.065 16.758 -5.158 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.752 17.187 -5.528 1.00 0.00 H new ATOM 1036 N LEU A 68 3.900 11.849 -3.563 1.00 0.00 N ATOM 1037 CA LEU A 68 4.480 11.012 -2.526 1.00 0.00 C ATOM 1038 C LEU A 68 5.921 11.455 -2.266 1.00 0.00 C ATOM 1039 O LEU A 68 6.626 11.859 -3.190 1.00 0.00 O ATOM 1040 CB LEU A 68 4.348 9.533 -2.895 1.00 0.00 C ATOM 1041 CG LEU A 68 2.923 9.022 -3.119 1.00 0.00 C ATOM 1042 CD1 LEU A 68 2.850 8.128 -4.358 1.00 0.00 C ATOM 1043 CD2 LEU A 68 2.391 8.316 -1.870 1.00 0.00 C ATOM 0 H LEU A 68 4.203 11.625 -4.511 1.00 0.00 H new ATOM 0 HA LEU A 68 3.935 11.133 -1.590 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.924 9.353 -3.802 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.805 8.939 -2.104 1.00 0.00 H new ATOM 0 HG LEU A 68 2.277 9.880 -3.303 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.827 7.778 -4.495 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.159 8.696 -5.235 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.512 7.272 -4.228 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.377 7.963 -2.056 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.033 7.468 -1.630 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.384 9.014 -1.033 1.00 0.00 H new ATOM 1055 N TYR A 69 6.316 11.364 -1.005 1.00 0.00 N ATOM 1056 CA TYR A 69 7.660 11.750 -0.612 1.00 0.00 C ATOM 1057 C TYR A 69 8.184 10.851 0.510 1.00 0.00 C ATOM 1058 O TYR A 69 7.401 10.259 1.252 1.00 0.00 O ATOM 1059 CB TYR A 69 7.552 13.185 -0.090 1.00 0.00 C ATOM 1060 CG TYR A 69 6.819 13.306 1.247 1.00 0.00 C ATOM 1061 CD1 TYR A 69 7.393 12.801 2.397 1.00 0.00 C ATOM 1062 CD2 TYR A 69 5.585 13.921 1.305 1.00 0.00 C ATOM 1063 CE1 TYR A 69 6.704 12.916 3.656 1.00 0.00 C ATOM 1064 CE2 TYR A 69 4.896 14.035 2.564 1.00 0.00 C ATOM 1065 CZ TYR A 69 5.489 13.527 3.677 1.00 0.00 C ATOM 1066 OH TYR A 69 4.838 13.636 4.866 1.00 0.00 O ATOM 0 H TYR A 69 5.728 11.028 -0.242 1.00 0.00 H new ATOM 0 HA TYR A 69 8.345 11.662 -1.455 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.555 13.598 0.018 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.035 13.793 -0.833 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.359 12.320 2.352 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.136 14.317 0.406 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.142 12.526 4.563 1.00 0.00 H new ATOM 0 HE2 TYR A 69 3.930 14.513 2.623 1.00 0.00 H new ATOM 0 HH TYR A 69 3.917 13.932 4.709 1.00 0.00 H new ATOM 1076 N GLY A 70 9.503 10.776 0.598 1.00 0.00 N ATOM 1077 CA GLY A 70 10.140 9.958 1.616 1.00 0.00 C ATOM 1078 C GLY A 70 10.133 10.667 2.972 1.00 0.00 C ATOM 1079 O GLY A 70 10.812 11.676 3.153 1.00 0.00 O ATOM 0 H GLY A 70 10.149 11.268 -0.019 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.621 9.003 1.698 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.166 9.738 1.322 1.00 0.00 H new ATOM 1083 N SER A 71 9.356 10.111 3.890 1.00 0.00 N ATOM 1084 CA SER A 71 9.250 10.677 5.224 1.00 0.00 C ATOM 1085 C SER A 71 10.373 10.136 6.112 1.00 0.00 C ATOM 1086 O SER A 71 10.453 8.932 6.353 1.00 0.00 O ATOM 1087 CB SER A 71 7.887 10.371 5.846 1.00 0.00 C ATOM 1088 OG SER A 71 7.042 9.650 4.953 1.00 0.00 O ATOM 0 H SER A 71 8.794 9.274 3.736 1.00 0.00 H new ATOM 0 HA SER A 71 9.347 11.760 5.145 1.00 0.00 H new ATOM 0 HB2 SER A 71 8.027 9.792 6.759 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.401 11.304 6.131 1.00 0.00 H new ATOM 0 HG SER A 71 6.519 8.992 5.457 1.00 0.00 H new ATOM 1094 N GLN A 72 11.211 11.051 6.575 1.00 0.00 N ATOM 1095 CA GLN A 72 12.325 10.681 7.431 1.00 0.00 C ATOM 1096 C GLN A 72 11.825 9.890 8.641 1.00 0.00 C ATOM 1097 O GLN A 72 12.250 8.758 8.866 1.00 0.00 O ATOM 1098 CB GLN A 72 13.113 11.917 7.872 1.00 0.00 C ATOM 1099 CG GLN A 72 14.543 11.544 8.265 1.00 0.00 C ATOM 1100 CD GLN A 72 15.557 12.464 7.582 1.00 0.00 C ATOM 1101 OE1 GLN A 72 16.239 12.090 6.642 1.00 0.00 O ATOM 1102 NE2 GLN A 72 15.618 13.686 8.105 1.00 0.00 N ATOM 0 H GLN A 72 11.141 12.048 6.374 1.00 0.00 H new ATOM 0 HA GLN A 72 13.001 10.045 6.859 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.133 12.647 7.063 1.00 0.00 H new ATOM 0 HB3 GLN A 72 12.612 12.390 8.716 1.00 0.00 H new ATOM 0 HG2 GLN A 72 14.656 11.612 9.347 1.00 0.00 H new ATOM 0 HG3 GLN A 72 14.742 10.509 7.988 1.00 0.00 H new ATOM 0 HE21 GLN A 72 15.019 13.934 8.892 1.00 0.00 H new ATOM 0 HE22 GLN A 72 16.264 14.374 7.719 1.00 0.00 H new ATOM 1111 N THR A 73 10.928 10.517 9.388 1.00 0.00 N ATOM 1112 CA THR A 73 10.365 9.886 10.570 1.00 0.00 C ATOM 1113 C THR A 73 8.973 9.331 10.265 1.00 0.00 C ATOM 1114 O THR A 73 8.309 9.786 9.335 1.00 0.00 O ATOM 1115 CB THR A 73 10.376 10.912 11.705 1.00 0.00 C ATOM 1116 OG1 THR A 73 9.824 12.086 11.116 1.00 0.00 O ATOM 1117 CG2 THR A 73 11.793 11.327 12.106 1.00 0.00 C ATOM 0 H THR A 73 10.577 11.456 9.198 1.00 0.00 H new ATOM 0 HA THR A 73 10.961 9.029 10.883 1.00 0.00 H new ATOM 0 HB THR A 73 9.860 10.500 12.572 1.00 0.00 H new ATOM 0 HG1 THR A 73 9.792 12.803 11.783 1.00 0.00 H new ATOM 0 HG21 THR A 73 11.743 12.056 12.915 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.348 10.451 12.441 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.299 11.771 11.248 1.00 0.00 H new ATOM 1125 N PRO A 74 8.560 8.330 11.088 1.00 0.00 N ATOM 1126 CA PRO A 74 7.258 7.708 10.916 1.00 0.00 C ATOM 1127 C PRO A 74 6.142 8.626 11.417 1.00 0.00 C ATOM 1128 O PRO A 74 6.078 8.942 12.604 1.00 0.00 O ATOM 1129 CB PRO A 74 7.342 6.400 11.687 1.00 0.00 C ATOM 1130 CG PRO A 74 8.516 6.553 12.641 1.00 0.00 C ATOM 1131 CD PRO A 74 9.319 7.766 12.200 1.00 0.00 C ATOM 0 HA PRO A 74 7.015 7.523 9.870 1.00 0.00 H new ATOM 0 HB2 PRO A 74 6.418 6.208 12.232 1.00 0.00 H new ATOM 0 HB3 PRO A 74 7.494 5.558 11.012 1.00 0.00 H new ATOM 0 HG2 PRO A 74 8.162 6.680 13.664 1.00 0.00 H new ATOM 0 HG3 PRO A 74 9.138 5.658 12.628 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.426 8.486 13.011 1.00 0.00 H new ATOM 0 HD3 PRO A 74 10.325 7.483 11.890 1.00 0.00 H new ATOM 1139 N ASN A 75 5.289 9.029 10.486 1.00 0.00 N ATOM 1140 CA ASN A 75 4.178 9.905 10.818 1.00 0.00 C ATOM 1141 C ASN A 75 2.874 9.280 10.316 1.00 0.00 C ATOM 1142 O ASN A 75 2.888 8.452 9.407 1.00 0.00 O ATOM 1143 CB ASN A 75 4.335 11.272 10.148 1.00 0.00 C ATOM 1144 CG ASN A 75 5.596 11.983 10.643 1.00 0.00 C ATOM 1145 OD1 ASN A 75 5.714 12.363 11.796 1.00 0.00 O ATOM 1146 ND2 ASN A 75 6.530 12.141 9.709 1.00 0.00 N ATOM 0 H ASN A 75 5.345 8.765 9.502 1.00 0.00 H new ATOM 0 HA ASN A 75 4.161 10.033 11.900 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.384 11.147 9.066 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.460 11.887 10.359 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.409 12.604 9.940 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.367 11.799 8.762 1.00 0.00 H new ATOM 1153 N GLU A 76 1.779 9.701 10.932 1.00 0.00 N ATOM 1154 CA GLU A 76 0.470 9.193 10.560 1.00 0.00 C ATOM 1155 C GLU A 76 0.299 9.229 9.039 1.00 0.00 C ATOM 1156 O GLU A 76 -0.433 8.418 8.474 1.00 0.00 O ATOM 1157 CB GLU A 76 -0.642 9.981 11.255 1.00 0.00 C ATOM 1158 CG GLU A 76 -1.313 9.139 12.342 1.00 0.00 C ATOM 1159 CD GLU A 76 -0.821 9.545 13.732 1.00 0.00 C ATOM 1160 OE1 GLU A 76 0.378 9.312 14.000 1.00 0.00 O ATOM 1161 OE2 GLU A 76 -1.654 10.079 14.496 1.00 0.00 O ATOM 0 H GLU A 76 1.772 10.388 11.686 1.00 0.00 H new ATOM 0 HA GLU A 76 0.397 8.157 10.890 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.229 10.888 11.696 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.385 10.293 10.521 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.395 9.261 12.285 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.102 8.083 12.172 1.00 0.00 H new ATOM 1168 N GLU A 77 0.987 10.178 8.421 1.00 0.00 N ATOM 1169 CA GLU A 77 0.921 10.330 6.978 1.00 0.00 C ATOM 1170 C GLU A 77 1.493 9.091 6.286 1.00 0.00 C ATOM 1171 O GLU A 77 1.056 8.727 5.195 1.00 0.00 O ATOM 1172 CB GLU A 77 1.650 11.596 6.526 1.00 0.00 C ATOM 1173 CG GLU A 77 1.042 12.841 7.175 1.00 0.00 C ATOM 1174 CD GLU A 77 1.924 14.069 6.939 1.00 0.00 C ATOM 1175 OE1 GLU A 77 2.099 14.422 5.752 1.00 0.00 O ATOM 1176 OE2 GLU A 77 2.401 14.628 7.949 1.00 0.00 O ATOM 0 H GLU A 77 1.593 10.849 8.893 1.00 0.00 H new ATOM 0 HA GLU A 77 -0.126 10.431 6.691 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.706 11.525 6.787 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.595 11.684 5.441 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.047 13.019 6.766 1.00 0.00 H new ATOM 0 HG3 GLU A 77 0.922 12.675 8.246 1.00 0.00 H new ATOM 1183 N CYS A 78 2.462 8.477 6.949 1.00 0.00 N ATOM 1184 CA CYS A 78 3.098 7.286 6.412 1.00 0.00 C ATOM 1185 C CYS A 78 2.125 6.115 6.556 1.00 0.00 C ATOM 1186 O CYS A 78 2.292 5.082 5.909 1.00 0.00 O ATOM 1187 CB CYS A 78 4.437 7.003 7.097 1.00 0.00 C ATOM 1188 SG CYS A 78 5.515 8.479 6.997 1.00 0.00 S ATOM 0 H CYS A 78 2.822 8.782 7.853 1.00 0.00 H new ATOM 0 HA CYS A 78 3.328 7.438 5.357 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.272 6.733 8.140 1.00 0.00 H new ATOM 0 HB3 CYS A 78 4.926 6.153 6.622 1.00 0.00 H new ATOM 0 HG CYS A 78 6.451 8.394 7.895 1.00 0.00 H new ATOM 1194 N LEU A 79 1.130 6.315 7.408 1.00 0.00 N ATOM 1195 CA LEU A 79 0.130 5.288 7.644 1.00 0.00 C ATOM 1196 C LEU A 79 -1.016 5.457 6.644 1.00 0.00 C ATOM 1197 O LEU A 79 -1.617 6.527 6.560 1.00 0.00 O ATOM 1198 CB LEU A 79 -0.322 5.306 9.106 1.00 0.00 C ATOM 1199 CG LEU A 79 -1.214 4.144 9.547 1.00 0.00 C ATOM 1200 CD1 LEU A 79 -0.746 2.827 8.926 1.00 0.00 C ATOM 1201 CD2 LEU A 79 -1.294 4.063 11.073 1.00 0.00 C ATOM 0 H LEU A 79 0.995 7.173 7.943 1.00 0.00 H new ATOM 0 HA LEU A 79 0.555 4.298 7.478 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.565 5.318 9.740 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.857 6.238 9.289 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.224 4.330 9.181 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.397 2.018 9.256 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.784 2.903 7.839 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.277 2.620 9.240 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.934 3.229 11.360 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.295 3.912 11.482 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.710 4.991 11.465 1.00 0.00 H new ATOM 1213 N PHE A 80 -1.283 4.386 5.912 1.00 0.00 N ATOM 1214 CA PHE A 80 -2.346 4.403 4.921 1.00 0.00 C ATOM 1215 C PHE A 80 -3.353 3.280 5.178 1.00 0.00 C ATOM 1216 O PHE A 80 -3.076 2.356 5.941 1.00 0.00 O ATOM 1217 CB PHE A 80 -1.689 4.181 3.557 1.00 0.00 C ATOM 1218 CG PHE A 80 -0.902 5.388 3.042 1.00 0.00 C ATOM 1219 CD1 PHE A 80 0.213 5.803 3.699 1.00 0.00 C ATOM 1220 CD2 PHE A 80 -1.319 6.045 1.926 1.00 0.00 C ATOM 1221 CE1 PHE A 80 0.943 6.923 3.220 1.00 0.00 C ATOM 1222 CE2 PHE A 80 -0.589 7.165 1.447 1.00 0.00 C ATOM 1223 CZ PHE A 80 0.527 7.580 2.104 1.00 0.00 C ATOM 0 H PHE A 80 -0.782 3.501 5.985 1.00 0.00 H new ATOM 0 HA PHE A 80 -2.881 5.352 4.965 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -1.018 3.324 3.623 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -2.461 3.926 2.831 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.544 5.281 4.585 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.205 5.715 1.404 1.00 0.00 H new ATOM 0 HE1 PHE A 80 1.829 7.253 3.742 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.920 7.687 0.561 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.083 8.431 1.740 1.00 0.00 H new ATOM 1233 N LEU A 81 -4.500 3.396 4.525 1.00 0.00 N ATOM 1234 CA LEU A 81 -5.549 2.403 4.674 1.00 0.00 C ATOM 1235 C LEU A 81 -5.572 1.503 3.436 1.00 0.00 C ATOM 1236 O LEU A 81 -5.669 1.990 2.311 1.00 0.00 O ATOM 1237 CB LEU A 81 -6.890 3.079 4.966 1.00 0.00 C ATOM 1238 CG LEU A 81 -6.897 4.082 6.122 1.00 0.00 C ATOM 1239 CD1 LEU A 81 -5.879 3.689 7.195 1.00 0.00 C ATOM 1240 CD2 LEU A 81 -6.673 5.507 5.613 1.00 0.00 C ATOM 0 H LEU A 81 -4.725 4.163 3.891 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.347 1.762 5.532 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.220 3.593 4.063 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.626 2.304 5.179 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.882 4.059 6.589 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.904 4.418 8.005 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.126 2.702 7.587 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.881 3.666 6.758 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.683 6.200 6.455 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.710 5.565 5.106 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.467 5.773 4.915 1.00 0.00 H new ATOM 1252 N GLU A 82 -5.480 0.205 3.687 1.00 0.00 N ATOM 1253 CA GLU A 82 -5.489 -0.768 2.607 1.00 0.00 C ATOM 1254 C GLU A 82 -6.806 -1.546 2.604 1.00 0.00 C ATOM 1255 O GLU A 82 -7.395 -1.781 3.658 1.00 0.00 O ATOM 1256 CB GLU A 82 -4.292 -1.716 2.713 1.00 0.00 C ATOM 1257 CG GLU A 82 -4.385 -2.834 1.674 1.00 0.00 C ATOM 1258 CD GLU A 82 -5.003 -4.096 2.280 1.00 0.00 C ATOM 1259 OE1 GLU A 82 -6.241 -4.094 2.453 1.00 0.00 O ATOM 1260 OE2 GLU A 82 -4.224 -5.034 2.555 1.00 0.00 O ATOM 0 H GLU A 82 -5.399 -0.195 4.622 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.404 -0.233 1.661 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.367 -1.157 2.569 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.252 -2.147 3.713 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.986 -2.500 0.828 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.391 -3.061 1.288 1.00 0.00 H new ATOM 1267 N ARG A 83 -7.230 -1.924 1.407 1.00 0.00 N ATOM 1268 CA ARG A 83 -8.467 -2.671 1.253 1.00 0.00 C ATOM 1269 C ARG A 83 -8.389 -3.579 0.024 1.00 0.00 C ATOM 1270 O ARG A 83 -7.510 -3.413 -0.821 1.00 0.00 O ATOM 1271 CB ARG A 83 -9.664 -1.729 1.107 1.00 0.00 C ATOM 1272 CG ARG A 83 -10.970 -2.445 1.457 1.00 0.00 C ATOM 1273 CD ARG A 83 -11.840 -1.582 2.373 1.00 0.00 C ATOM 1274 NE ARG A 83 -13.162 -1.353 1.748 1.00 0.00 N ATOM 1275 CZ ARG A 83 -14.256 -0.974 2.423 1.00 0.00 C ATOM 1276 NH1 ARG A 83 -14.193 -0.780 3.747 1.00 0.00 N ATOM 1277 NH2 ARG A 83 -15.413 -0.789 1.773 1.00 0.00 N ATOM 0 H ARG A 83 -6.739 -1.727 0.535 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.603 -3.277 2.149 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.533 -0.865 1.758 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.713 -1.353 0.085 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -11.517 -2.678 0.544 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -10.749 -3.393 1.947 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -11.965 -2.073 3.338 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.348 -0.628 2.562 1.00 0.00 H new ATOM 0 HE ARG A 83 -13.246 -1.492 0.741 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -13.312 -0.921 4.242 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -15.026 -0.492 4.260 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -15.461 -0.937 0.765 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -16.246 -0.501 2.286 1.00 0.00 H new ATOM 1291 N LEU A 84 -9.320 -4.521 -0.036 1.00 0.00 N ATOM 1292 CA LEU A 84 -9.367 -5.456 -1.147 1.00 0.00 C ATOM 1293 C LEU A 84 -10.303 -4.910 -2.228 1.00 0.00 C ATOM 1294 O LEU A 84 -11.505 -4.776 -2.004 1.00 0.00 O ATOM 1295 CB LEU A 84 -9.746 -6.854 -0.655 1.00 0.00 C ATOM 1296 CG LEU A 84 -10.311 -7.806 -1.710 1.00 0.00 C ATOM 1297 CD1 LEU A 84 -11.806 -7.561 -1.926 1.00 0.00 C ATOM 1298 CD2 LEU A 84 -9.520 -7.710 -3.016 1.00 0.00 C ATOM 0 H LEU A 84 -10.047 -4.656 0.667 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.381 -5.559 -1.600 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.862 -7.315 -0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.481 -6.750 0.143 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.202 -8.826 -1.342 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.182 -8.251 -2.681 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.340 -7.721 -0.989 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -11.962 -6.536 -2.262 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.943 -8.397 -3.749 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.574 -6.691 -3.400 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.479 -7.973 -2.831 1.00 0.00 H new ATOM 1310 N GLU A 85 -9.716 -4.609 -3.377 1.00 0.00 N ATOM 1311 CA GLU A 85 -10.482 -4.081 -4.493 1.00 0.00 C ATOM 1312 C GLU A 85 -10.687 -5.163 -5.556 1.00 0.00 C ATOM 1313 O GLU A 85 -9.811 -5.999 -5.772 1.00 0.00 O ATOM 1314 CB GLU A 85 -9.802 -2.848 -5.090 1.00 0.00 C ATOM 1315 CG GLU A 85 -10.093 -1.601 -4.252 1.00 0.00 C ATOM 1316 CD GLU A 85 -10.791 -0.528 -5.089 1.00 0.00 C ATOM 1317 OE1 GLU A 85 -10.288 -0.260 -6.201 1.00 0.00 O ATOM 1318 OE2 GLU A 85 -11.812 0.000 -4.598 1.00 0.00 O ATOM 0 H GLU A 85 -8.719 -4.721 -3.559 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.460 -3.773 -4.123 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.726 -3.012 -5.143 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.152 -2.694 -6.111 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -10.720 -1.868 -3.401 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.161 -1.204 -3.849 1.00 0.00 H new ATOM 1325 N GLU A 86 -11.848 -5.111 -6.191 1.00 0.00 N ATOM 1326 CA GLU A 86 -12.179 -6.076 -7.226 1.00 0.00 C ATOM 1327 C GLU A 86 -11.060 -6.142 -8.268 1.00 0.00 C ATOM 1328 O GLU A 86 -10.059 -5.436 -8.154 1.00 0.00 O ATOM 1329 CB GLU A 86 -13.519 -5.740 -7.881 1.00 0.00 C ATOM 1330 CG GLU A 86 -14.652 -6.565 -7.268 1.00 0.00 C ATOM 1331 CD GLU A 86 -16.013 -6.109 -7.798 1.00 0.00 C ATOM 1332 OE1 GLU A 86 -16.264 -6.350 -8.999 1.00 0.00 O ATOM 1333 OE2 GLU A 86 -16.771 -5.529 -6.992 1.00 0.00 O ATOM 0 H GLU A 86 -12.572 -4.416 -6.009 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.275 -7.058 -6.762 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.731 -4.678 -7.759 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -13.463 -5.933 -8.952 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -14.503 -7.620 -7.498 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -14.630 -6.469 -6.182 1.00 0.00 H new ATOM 1340 N ASN A 87 -11.268 -6.995 -9.259 1.00 0.00 N ATOM 1341 CA ASN A 87 -10.289 -7.161 -10.321 1.00 0.00 C ATOM 1342 C ASN A 87 -8.968 -7.646 -9.719 1.00 0.00 C ATOM 1343 O ASN A 87 -7.927 -7.586 -10.370 1.00 0.00 O ATOM 1344 CB ASN A 87 -10.024 -5.836 -11.038 1.00 0.00 C ATOM 1345 CG ASN A 87 -11.093 -5.563 -12.098 1.00 0.00 C ATOM 1346 OD1 ASN A 87 -11.957 -6.380 -12.370 1.00 0.00 O ATOM 1347 ND2 ASN A 87 -10.986 -4.372 -12.680 1.00 0.00 N ATOM 0 H ASN A 87 -12.099 -7.579 -9.350 1.00 0.00 H new ATOM 0 HA ASN A 87 -10.684 -7.884 -11.035 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -10.010 -5.022 -10.313 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -9.040 -5.862 -11.507 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -11.652 -4.095 -13.402 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -10.238 -3.735 -12.405 1.00 0.00 H new ATOM 1354 N HIS A 88 -9.055 -8.116 -8.483 1.00 0.00 N ATOM 1355 CA HIS A 88 -7.880 -8.611 -7.787 1.00 0.00 C ATOM 1356 C HIS A 88 -6.851 -7.486 -7.653 1.00 0.00 C ATOM 1357 O HIS A 88 -5.733 -7.600 -8.152 1.00 0.00 O ATOM 1358 CB HIS A 88 -7.316 -9.850 -8.485 1.00 0.00 C ATOM 1359 CG HIS A 88 -6.871 -10.939 -7.539 1.00 0.00 C ATOM 1360 ND1 HIS A 88 -5.992 -11.942 -7.910 1.00 0.00 N ATOM 1361 CD2 HIS A 88 -7.190 -11.171 -6.233 1.00 0.00 C ATOM 1362 CE1 HIS A 88 -5.800 -12.737 -6.868 1.00 0.00 C ATOM 1363 NE2 HIS A 88 -6.544 -12.258 -5.830 1.00 0.00 N ATOM 0 H HIS A 88 -9.921 -8.164 -7.946 1.00 0.00 H new ATOM 0 HA HIS A 88 -8.155 -8.927 -6.781 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -8.075 -10.253 -9.156 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -6.469 -9.552 -9.104 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -7.855 -10.572 -5.629 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -5.166 -13.611 -6.844 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -6.595 -12.668 -4.897 1.00 0.00 H new ATOM 1371 N TYR A 89 -7.267 -6.425 -6.977 1.00 0.00 N ATOM 1372 CA TYR A 89 -6.396 -5.280 -6.771 1.00 0.00 C ATOM 1373 C TYR A 89 -6.587 -4.691 -5.372 1.00 0.00 C ATOM 1374 O TYR A 89 -7.623 -4.898 -4.744 1.00 0.00 O ATOM 1375 CB TYR A 89 -6.813 -4.240 -7.812 1.00 0.00 C ATOM 1376 CG TYR A 89 -6.199 -4.462 -9.195 1.00 0.00 C ATOM 1377 CD1 TYR A 89 -4.830 -4.576 -9.332 1.00 0.00 C ATOM 1378 CD2 TYR A 89 -7.013 -4.548 -10.306 1.00 0.00 C ATOM 1379 CE1 TYR A 89 -4.252 -4.785 -10.634 1.00 0.00 C ATOM 1380 CE2 TYR A 89 -6.435 -4.757 -11.608 1.00 0.00 C ATOM 1381 CZ TYR A 89 -5.083 -4.865 -11.708 1.00 0.00 C ATOM 1382 OH TYR A 89 -4.536 -5.062 -12.938 1.00 0.00 O ATOM 0 H TYR A 89 -8.196 -6.334 -6.565 1.00 0.00 H new ATOM 0 HA TYR A 89 -5.350 -5.571 -6.868 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.899 -4.247 -7.903 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.530 -3.250 -7.455 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.193 -4.508 -8.463 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -8.084 -4.459 -10.199 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -3.183 -4.876 -10.755 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -7.061 -4.826 -12.485 1.00 0.00 H new ATOM 0 HH TYR A 89 -5.248 -5.099 -13.610 1.00 0.00 H new ATOM 1392 N ASN A 90 -5.570 -3.968 -4.926 1.00 0.00 N ATOM 1393 CA ASN A 90 -5.613 -3.346 -3.613 1.00 0.00 C ATOM 1394 C ASN A 90 -5.404 -1.838 -3.760 1.00 0.00 C ATOM 1395 O ASN A 90 -4.770 -1.386 -4.712 1.00 0.00 O ATOM 1396 CB ASN A 90 -4.505 -3.891 -2.709 1.00 0.00 C ATOM 1397 CG ASN A 90 -4.739 -5.368 -2.384 1.00 0.00 C ATOM 1398 OD1 ASN A 90 -4.777 -6.223 -3.253 1.00 0.00 O ATOM 1399 ND2 ASN A 90 -4.894 -5.617 -1.087 1.00 0.00 N ATOM 0 H ASN A 90 -4.711 -3.799 -5.450 1.00 0.00 H new ATOM 0 HA ASN A 90 -6.583 -3.566 -3.168 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.539 -3.772 -3.199 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -4.467 -3.313 -1.785 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -5.056 -6.572 -0.767 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -4.851 -4.853 -0.412 1.00 0.00 H new ATOM 1406 N THR A 91 -5.950 -1.101 -2.804 1.00 0.00 N ATOM 1407 CA THR A 91 -5.831 0.347 -2.815 1.00 0.00 C ATOM 1408 C THR A 91 -5.252 0.845 -1.490 1.00 0.00 C ATOM 1409 O THR A 91 -5.373 0.176 -0.465 1.00 0.00 O ATOM 1410 CB THR A 91 -7.209 0.932 -3.134 1.00 0.00 C ATOM 1411 OG1 THR A 91 -8.090 0.248 -2.248 1.00 0.00 O ATOM 1412 CG2 THR A 91 -7.703 0.538 -4.528 1.00 0.00 C ATOM 0 H THR A 91 -6.476 -1.480 -2.016 1.00 0.00 H new ATOM 0 HA THR A 91 -5.134 0.681 -3.584 1.00 0.00 H new ATOM 0 HB THR A 91 -7.169 2.018 -3.056 1.00 0.00 H new ATOM 0 HG1 THR A 91 -9.006 0.568 -2.386 1.00 0.00 H new ATOM 0 HG21 THR A 91 -8.684 0.979 -4.704 1.00 0.00 H new ATOM 0 HG22 THR A 91 -7.002 0.902 -5.279 1.00 0.00 H new ATOM 0 HG23 THR A 91 -7.775 -0.548 -4.595 1.00 0.00 H new ATOM 1420 N TYR A 92 -4.635 2.016 -1.553 1.00 0.00 N ATOM 1421 CA TYR A 92 -4.037 2.612 -0.370 1.00 0.00 C ATOM 1422 C TYR A 92 -4.386 4.098 -0.269 1.00 0.00 C ATOM 1423 O TYR A 92 -4.270 4.835 -1.247 1.00 0.00 O ATOM 1424 CB TYR A 92 -2.524 2.465 -0.544 1.00 0.00 C ATOM 1425 CG TYR A 92 -2.051 1.018 -0.687 1.00 0.00 C ATOM 1426 CD1 TYR A 92 -2.144 0.152 0.384 1.00 0.00 C ATOM 1427 CD2 TYR A 92 -1.532 0.577 -1.887 1.00 0.00 C ATOM 1428 CE1 TYR A 92 -1.699 -1.211 0.249 1.00 0.00 C ATOM 1429 CE2 TYR A 92 -1.087 -0.786 -2.022 1.00 0.00 C ATOM 1430 CZ TYR A 92 -1.192 -1.612 -0.947 1.00 0.00 C ATOM 1431 OH TYR A 92 -0.772 -2.900 -1.075 1.00 0.00 O ATOM 0 H TYR A 92 -4.536 2.568 -2.405 1.00 0.00 H new ATOM 0 HA TYR A 92 -4.403 2.124 0.533 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -2.214 3.026 -1.425 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -2.025 2.916 0.313 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.551 0.497 1.323 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -1.459 1.254 -2.725 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -1.767 -1.899 1.079 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -0.679 -1.144 -2.956 1.00 0.00 H new ATOM 0 HH TYR A 92 -0.435 -3.045 -1.984 1.00 0.00 H new ATOM 1441 N ILE A 93 -4.806 4.494 0.924 1.00 0.00 N ATOM 1442 CA ILE A 93 -5.172 5.880 1.166 1.00 0.00 C ATOM 1443 C ILE A 93 -4.460 6.378 2.424 1.00 0.00 C ATOM 1444 O ILE A 93 -4.377 5.662 3.421 1.00 0.00 O ATOM 1445 CB ILE A 93 -6.694 6.030 1.220 1.00 0.00 C ATOM 1446 CG1 ILE A 93 -7.327 5.685 -0.130 1.00 0.00 C ATOM 1447 CG2 ILE A 93 -7.090 7.428 1.698 1.00 0.00 C ATOM 1448 CD1 ILE A 93 -8.792 5.279 0.040 1.00 0.00 C ATOM 0 H ILE A 93 -4.901 3.880 1.733 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.842 6.512 0.341 1.00 0.00 H new ATOM 0 HB ILE A 93 -7.082 5.318 1.949 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -7.259 6.544 -0.798 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.772 4.872 -0.599 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -8.177 7.508 1.727 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -6.686 7.599 2.696 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.690 8.174 1.012 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -9.218 5.039 -0.934 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -8.855 4.405 0.689 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -9.348 6.103 0.487 1.00 0.00 H new ATOM 1460 N SER A 94 -3.963 7.604 2.338 1.00 0.00 N ATOM 1461 CA SER A 94 -3.261 8.207 3.458 1.00 0.00 C ATOM 1462 C SER A 94 -4.236 8.470 4.607 1.00 0.00 C ATOM 1463 O SER A 94 -5.359 8.919 4.383 1.00 0.00 O ATOM 1464 CB SER A 94 -2.571 9.507 3.040 1.00 0.00 C ATOM 1465 OG SER A 94 -1.402 9.763 3.813 1.00 0.00 O ATOM 0 H SER A 94 -4.033 8.196 1.510 1.00 0.00 H new ATOM 0 HA SER A 94 -2.493 7.511 3.794 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.303 9.452 1.985 1.00 0.00 H new ATOM 0 HB3 SER A 94 -3.267 10.338 3.149 1.00 0.00 H new ATOM 0 HG SER A 94 -0.660 9.220 3.473 1.00 0.00 H new ATOM 1471 N LYS A 95 -3.772 8.178 5.814 1.00 0.00 N ATOM 1472 CA LYS A 95 -4.589 8.378 6.999 1.00 0.00 C ATOM 1473 C LYS A 95 -4.887 9.869 7.162 1.00 0.00 C ATOM 1474 O LYS A 95 -6.002 10.316 6.895 1.00 0.00 O ATOM 1475 CB LYS A 95 -3.922 7.746 8.222 1.00 0.00 C ATOM 1476 CG LYS A 95 -4.965 7.323 9.258 1.00 0.00 C ATOM 1477 CD LYS A 95 -4.321 7.113 10.630 1.00 0.00 C ATOM 1478 CE LYS A 95 -5.355 6.643 11.655 1.00 0.00 C ATOM 1479 NZ LYS A 95 -5.887 7.792 12.420 1.00 0.00 N ATOM 0 H LYS A 95 -2.841 7.804 5.996 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.548 7.872 6.891 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.337 6.879 7.914 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.227 8.457 8.670 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -5.741 8.085 9.329 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -5.451 6.402 8.935 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -3.521 6.377 10.551 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -3.866 8.044 10.968 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -6.171 6.128 11.147 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -4.899 5.925 12.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -6.587 7.455 13.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -5.108 8.267 12.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -6.340 8.464 11.768 1.00 0.00 H new ATOM 1493 N LYS A 96 -3.871 10.599 7.600 1.00 0.00 N ATOM 1494 CA LYS A 96 -4.011 12.031 7.802 1.00 0.00 C ATOM 1495 C LYS A 96 -4.824 12.627 6.651 1.00 0.00 C ATOM 1496 O LYS A 96 -5.520 13.626 6.830 1.00 0.00 O ATOM 1497 CB LYS A 96 -2.639 12.682 7.987 1.00 0.00 C ATOM 1498 CG LYS A 96 -2.500 13.278 9.390 1.00 0.00 C ATOM 1499 CD LYS A 96 -1.090 13.829 9.614 1.00 0.00 C ATOM 1500 CE LYS A 96 -1.040 14.717 10.859 1.00 0.00 C ATOM 1501 NZ LYS A 96 -0.091 15.835 10.660 1.00 0.00 N ATOM 0 H LYS A 96 -2.948 10.225 7.820 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.562 12.234 8.720 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -1.856 11.942 7.823 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.500 13.464 7.240 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -3.231 14.075 9.525 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -2.719 12.515 10.137 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -0.386 13.004 9.723 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -0.777 14.402 8.741 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -2.034 15.110 11.073 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.738 14.125 11.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.069 16.428 11.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.860 15.455 10.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -0.396 16.409 9.848 1.00 0.00 H new ATOM 1515 N HIS A 97 -4.709 11.990 5.495 1.00 0.00 N ATOM 1516 CA HIS A 97 -5.425 12.445 4.315 1.00 0.00 C ATOM 1517 C HIS A 97 -6.307 11.315 3.782 1.00 0.00 C ATOM 1518 O HIS A 97 -6.172 10.908 2.629 1.00 0.00 O ATOM 1519 CB HIS A 97 -4.452 12.984 3.264 1.00 0.00 C ATOM 1520 CG HIS A 97 -3.278 13.736 3.842 1.00 0.00 C ATOM 1521 ND1 HIS A 97 -2.438 13.424 4.871 1.00 0.00 N flip ATOM 1522 CD2 HIS A 97 -2.860 14.963 3.356 1.00 0.00 C flip ATOM 1523 CE1 HIS A 97 -1.554 14.405 5.004 1.00 0.00 C flip ATOM 1524 NE2 HIS A 97 -1.815 15.361 4.067 1.00 0.00 N flip ATOM 0 H HIS A 97 -4.131 11.162 5.350 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.080 13.275 4.580 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -4.079 12.151 2.668 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -4.994 13.643 2.586 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -3.309 15.504 2.536 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -0.759 14.440 5.734 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -1.297 16.230 3.936 1.00 0.00 H new ATOM 1532 N ALA A 98 -7.191 10.839 4.647 1.00 0.00 N ATOM 1533 CA ALA A 98 -8.095 9.763 4.278 1.00 0.00 C ATOM 1534 C ALA A 98 -9.393 10.359 3.729 1.00 0.00 C ATOM 1535 O ALA A 98 -9.921 9.886 2.724 1.00 0.00 O ATOM 1536 CB ALA A 98 -8.335 8.860 5.490 1.00 0.00 C ATOM 0 H ALA A 98 -7.300 11.179 5.602 1.00 0.00 H new ATOM 0 HA ALA A 98 -7.658 9.146 3.493 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -9.013 8.053 5.214 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.387 8.439 5.824 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -8.777 9.444 6.297 1.00 0.00 H new ATOM 1542 N GLU A 99 -9.869 11.390 4.412 1.00 0.00 N ATOM 1543 CA GLU A 99 -11.094 12.056 4.005 1.00 0.00 C ATOM 1544 C GLU A 99 -10.887 12.783 2.675 1.00 0.00 C ATOM 1545 O GLU A 99 -11.852 13.150 2.007 1.00 0.00 O ATOM 1546 CB GLU A 99 -11.579 13.021 5.088 1.00 0.00 C ATOM 1547 CG GLU A 99 -12.589 12.342 6.016 1.00 0.00 C ATOM 1548 CD GLU A 99 -13.448 13.378 6.744 1.00 0.00 C ATOM 1549 OE1 GLU A 99 -14.088 14.184 6.034 1.00 0.00 O ATOM 1550 OE2 GLU A 99 -13.447 13.340 7.993 1.00 0.00 O ATOM 0 H GLU A 99 -9.428 11.780 5.245 1.00 0.00 H new ATOM 0 HA GLU A 99 -11.867 11.300 3.866 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -10.729 13.378 5.669 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -12.037 13.894 4.623 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -13.229 11.676 5.438 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -12.062 11.725 6.744 1.00 0.00 H new ATOM 1557 N LYS A 100 -9.621 12.970 2.331 1.00 0.00 N ATOM 1558 CA LYS A 100 -9.274 13.647 1.093 1.00 0.00 C ATOM 1559 C LYS A 100 -9.444 12.677 -0.079 1.00 0.00 C ATOM 1560 O LYS A 100 -9.331 13.073 -1.238 1.00 0.00 O ATOM 1561 CB LYS A 100 -7.874 14.256 1.189 1.00 0.00 C ATOM 1562 CG LYS A 100 -7.721 15.079 2.470 1.00 0.00 C ATOM 1563 CD LYS A 100 -7.041 16.419 2.183 1.00 0.00 C ATOM 1564 CE LYS A 100 -6.289 16.927 3.415 1.00 0.00 C ATOM 1565 NZ LYS A 100 -5.096 17.703 3.010 1.00 0.00 N ATOM 0 H LYS A 100 -8.823 12.664 2.888 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.949 14.484 0.915 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.126 13.463 1.170 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.689 14.889 0.321 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.701 15.252 2.914 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.135 14.519 3.199 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.348 16.308 1.349 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.788 17.153 1.880 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.948 17.551 4.019 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.988 16.085 4.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -4.412 17.722 3.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.658 17.258 2.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.378 18.676 2.774 1.00 0.00 H new ATOM 1579 N ASN A 101 -9.712 11.426 0.265 1.00 0.00 N ATOM 1580 CA ASN A 101 -9.899 10.397 -0.744 1.00 0.00 C ATOM 1581 C ASN A 101 -8.743 10.454 -1.744 1.00 0.00 C ATOM 1582 O ASN A 101 -8.951 10.742 -2.922 1.00 0.00 O ATOM 1583 CB ASN A 101 -11.203 10.611 -1.515 1.00 0.00 C ATOM 1584 CG ASN A 101 -12.256 11.287 -0.634 1.00 0.00 C ATOM 1585 OD1 ASN A 101 -12.229 12.483 -0.398 1.00 0.00 O ATOM 1586 ND2 ASN A 101 -13.182 10.456 -0.164 1.00 0.00 N ATOM 0 H ASN A 101 -9.804 11.102 1.228 1.00 0.00 H new ATOM 0 HA ASN A 101 -9.934 9.432 -0.239 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -11.012 11.224 -2.396 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -11.581 9.652 -1.870 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -13.929 10.810 0.433 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -13.145 9.465 -0.401 1.00 0.00 H new ATOM 1593 N TRP A 102 -7.550 10.176 -1.239 1.00 0.00 N ATOM 1594 CA TRP A 102 -6.361 10.193 -2.074 1.00 0.00 C ATOM 1595 C TRP A 102 -5.845 8.757 -2.190 1.00 0.00 C ATOM 1596 O TRP A 102 -5.715 8.058 -1.187 1.00 0.00 O ATOM 1597 CB TRP A 102 -5.315 11.161 -1.518 1.00 0.00 C ATOM 1598 CG TRP A 102 -5.755 12.626 -1.528 1.00 0.00 C ATOM 1599 CD1 TRP A 102 -6.876 13.147 -2.045 1.00 0.00 C ATOM 1600 CD2 TRP A 102 -5.033 13.745 -0.971 1.00 0.00 C ATOM 1601 NE1 TRP A 102 -6.929 14.514 -1.863 1.00 0.00 N ATOM 1602 CE2 TRP A 102 -5.772 14.889 -1.189 1.00 0.00 C ATOM 1603 CE3 TRP A 102 -3.795 13.788 -0.306 1.00 0.00 C ATOM 1604 CZ2 TRP A 102 -5.358 16.160 -0.774 1.00 0.00 C ATOM 1605 CZ3 TRP A 102 -3.395 15.066 0.103 1.00 0.00 C ATOM 1606 CH2 TRP A 102 -4.128 16.228 -0.108 1.00 0.00 C ATOM 0 H TRP A 102 -7.381 9.938 -0.262 1.00 0.00 H new ATOM 0 HA TRP A 102 -6.596 10.561 -3.073 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -5.075 10.872 -0.495 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -4.399 11.064 -2.100 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -7.642 12.570 -2.542 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -7.679 15.135 -2.167 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -3.200 12.905 -0.125 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -5.955 17.041 -0.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -2.450 15.155 0.619 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -3.751 17.178 0.240 1.00 0.00 H new ATOM 1617 N PHE A 103 -5.566 8.361 -3.423 1.00 0.00 N ATOM 1618 CA PHE A 103 -5.067 7.021 -3.684 1.00 0.00 C ATOM 1619 C PHE A 103 -3.656 7.067 -4.274 1.00 0.00 C ATOM 1620 O PHE A 103 -3.309 8.004 -4.990 1.00 0.00 O ATOM 1621 CB PHE A 103 -6.013 6.382 -4.702 1.00 0.00 C ATOM 1622 CG PHE A 103 -7.448 6.213 -4.198 1.00 0.00 C ATOM 1623 CD1 PHE A 103 -8.314 7.260 -4.250 1.00 0.00 C ATOM 1624 CD2 PHE A 103 -7.856 5.016 -3.699 1.00 0.00 C ATOM 1625 CE1 PHE A 103 -9.646 7.103 -3.782 1.00 0.00 C ATOM 1626 CE2 PHE A 103 -9.188 4.859 -3.231 1.00 0.00 C ATOM 1627 CZ PHE A 103 -10.054 5.906 -3.283 1.00 0.00 C ATOM 0 H PHE A 103 -5.676 8.944 -4.253 1.00 0.00 H new ATOM 0 HA PHE A 103 -5.025 6.452 -2.755 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -6.025 6.993 -5.604 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -5.620 5.405 -4.984 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -7.989 8.210 -4.647 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -7.168 4.185 -3.658 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -10.334 7.934 -3.823 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -9.513 3.909 -2.834 1.00 0.00 H new ATOM 0 HZ PHE A 103 -11.067 5.787 -2.928 1.00 0.00 H new ATOM 1637 N VAL A 104 -2.881 6.042 -3.951 1.00 0.00 N ATOM 1638 CA VAL A 104 -1.516 5.953 -4.441 1.00 0.00 C ATOM 1639 C VAL A 104 -1.513 5.270 -5.810 1.00 0.00 C ATOM 1640 O VAL A 104 -1.742 4.065 -5.907 1.00 0.00 O ATOM 1641 CB VAL A 104 -0.637 5.236 -3.413 1.00 0.00 C ATOM 1642 CG1 VAL A 104 0.840 5.321 -3.801 1.00 0.00 C ATOM 1643 CG2 VAL A 104 -0.870 5.795 -2.008 1.00 0.00 C ATOM 0 H VAL A 104 -3.172 5.266 -3.356 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.092 6.948 -4.574 1.00 0.00 H new ATOM 0 HB VAL A 104 -0.920 4.183 -3.405 1.00 0.00 H new ATOM 0 HG11 VAL A 104 1.443 4.804 -3.054 1.00 0.00 H new ATOM 0 HG12 VAL A 104 0.988 4.853 -4.774 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.143 6.367 -3.851 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -0.234 5.269 -1.297 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -0.628 6.858 -1.994 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.915 5.658 -1.730 1.00 0.00 H new ATOM 1653 N GLY A 105 -1.251 6.069 -6.834 1.00 0.00 N ATOM 1654 CA GLY A 105 -1.216 5.557 -8.193 1.00 0.00 C ATOM 1655 C GLY A 105 -0.170 6.297 -9.030 1.00 0.00 C ATOM 1656 O GLY A 105 0.136 7.458 -8.764 1.00 0.00 O ATOM 0 H GLY A 105 -1.061 7.068 -6.749 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -0.988 4.491 -8.178 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -2.198 5.666 -8.652 1.00 0.00 H new ATOM 1660 N LEU A 106 0.350 5.593 -10.025 1.00 0.00 N ATOM 1661 CA LEU A 106 1.355 6.168 -10.903 1.00 0.00 C ATOM 1662 C LEU A 106 0.817 6.200 -12.335 1.00 0.00 C ATOM 1663 O LEU A 106 -0.112 5.466 -12.670 1.00 0.00 O ATOM 1664 CB LEU A 106 2.682 5.420 -10.761 1.00 0.00 C ATOM 1665 CG LEU A 106 3.191 5.223 -9.331 1.00 0.00 C ATOM 1666 CD1 LEU A 106 4.165 4.045 -9.253 1.00 0.00 C ATOM 1667 CD2 LEU A 106 3.806 6.513 -8.786 1.00 0.00 C ATOM 0 H LEU A 106 0.094 4.630 -10.243 1.00 0.00 H new ATOM 0 HA LEU A 106 1.565 7.199 -10.618 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.575 4.440 -11.226 1.00 0.00 H new ATOM 0 HB3 LEU A 106 3.443 5.959 -11.325 1.00 0.00 H new ATOM 0 HG LEU A 106 2.340 4.979 -8.696 1.00 0.00 H new ATOM 0 HD11 LEU A 106 4.512 3.927 -8.226 1.00 0.00 H new ATOM 0 HD12 LEU A 106 3.660 3.134 -9.573 1.00 0.00 H new ATOM 0 HD13 LEU A 106 5.018 4.235 -9.904 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.160 6.346 -7.769 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.643 6.812 -9.417 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.054 7.302 -8.784 1.00 0.00 H new ATOM 1679 N LYS A 107 1.425 7.057 -13.143 1.00 0.00 N ATOM 1680 CA LYS A 107 1.019 7.193 -14.531 1.00 0.00 C ATOM 1681 C LYS A 107 1.890 6.288 -15.404 1.00 0.00 C ATOM 1682 O LYS A 107 2.740 5.559 -14.895 1.00 0.00 O ATOM 1683 CB LYS A 107 1.042 8.664 -14.954 1.00 0.00 C ATOM 1684 CG LYS A 107 2.458 9.238 -14.861 1.00 0.00 C ATOM 1685 CD LYS A 107 2.570 10.548 -15.643 1.00 0.00 C ATOM 1686 CE LYS A 107 2.048 10.380 -17.071 1.00 0.00 C ATOM 1687 NZ LYS A 107 0.707 10.992 -17.209 1.00 0.00 N ATOM 0 H LYS A 107 2.195 7.664 -12.862 1.00 0.00 H new ATOM 0 HA LYS A 107 -0.012 6.864 -14.661 1.00 0.00 H new ATOM 0 HB2 LYS A 107 0.674 8.758 -15.975 1.00 0.00 H new ATOM 0 HB3 LYS A 107 0.370 9.240 -14.318 1.00 0.00 H new ATOM 0 HG2 LYS A 107 2.717 9.411 -13.816 1.00 0.00 H new ATOM 0 HG3 LYS A 107 3.174 8.515 -15.251 1.00 0.00 H new ATOM 0 HD2 LYS A 107 2.004 11.329 -15.135 1.00 0.00 H new ATOM 0 HD3 LYS A 107 3.610 10.873 -15.668 1.00 0.00 H new ATOM 0 HE2 LYS A 107 2.740 10.844 -17.774 1.00 0.00 H new ATOM 0 HE3 LYS A 107 1.999 9.321 -17.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 0.208 10.557 -18.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 0.163 10.836 -16.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 0.807 12.014 -17.376 1.00 0.00 H new ATOM 1701 N LYS A 108 1.649 6.365 -16.705 1.00 0.00 N ATOM 1702 CA LYS A 108 2.401 5.561 -17.654 1.00 0.00 C ATOM 1703 C LYS A 108 3.854 6.040 -17.682 1.00 0.00 C ATOM 1704 O LYS A 108 4.757 5.276 -18.017 1.00 0.00 O ATOM 1705 CB LYS A 108 1.723 5.576 -19.025 1.00 0.00 C ATOM 1706 CG LYS A 108 0.424 4.767 -19.002 1.00 0.00 C ATOM 1707 CD LYS A 108 -0.602 5.349 -19.977 1.00 0.00 C ATOM 1708 CE LYS A 108 -1.566 6.295 -19.259 1.00 0.00 C ATOM 1709 NZ LYS A 108 -2.777 6.522 -20.080 1.00 0.00 N ATOM 0 H LYS A 108 0.944 6.971 -17.124 1.00 0.00 H new ATOM 0 HA LYS A 108 2.414 4.517 -17.342 1.00 0.00 H new ATOM 0 HB2 LYS A 108 1.510 6.604 -19.319 1.00 0.00 H new ATOM 0 HB3 LYS A 108 2.399 5.164 -19.774 1.00 0.00 H new ATOM 0 HG2 LYS A 108 0.633 3.730 -19.264 1.00 0.00 H new ATOM 0 HG3 LYS A 108 0.011 4.764 -17.993 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -0.088 5.885 -20.775 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -1.162 4.540 -20.446 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -1.847 5.873 -18.294 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.071 7.246 -19.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -3.421 7.166 -19.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -2.505 6.944 -20.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -3.257 5.615 -20.249 1.00 0.00 H new ATOM 1723 N ASN A 109 4.035 7.304 -17.325 1.00 0.00 N ATOM 1724 CA ASN A 109 5.362 7.894 -17.306 1.00 0.00 C ATOM 1725 C ASN A 109 6.038 7.574 -15.971 1.00 0.00 C ATOM 1726 O ASN A 109 7.098 8.116 -15.662 1.00 0.00 O ATOM 1727 CB ASN A 109 5.291 9.415 -17.447 1.00 0.00 C ATOM 1728 CG ASN A 109 6.519 9.956 -18.183 1.00 0.00 C ATOM 1729 OD1 ASN A 109 6.963 9.416 -19.183 1.00 0.00 O ATOM 1730 ND2 ASN A 109 7.040 11.049 -17.634 1.00 0.00 N ATOM 0 H ASN A 109 3.284 7.935 -17.047 1.00 0.00 H new ATOM 0 HA ASN A 109 5.927 7.481 -18.142 1.00 0.00 H new ATOM 0 HB2 ASN A 109 4.387 9.692 -17.989 1.00 0.00 H new ATOM 0 HB3 ASN A 109 5.223 9.872 -16.460 1.00 0.00 H new ATOM 0 HD21 ASN A 109 7.862 11.487 -18.051 1.00 0.00 H new ATOM 0 HD22 ASN A 109 6.618 11.450 -16.796 1.00 0.00 H new ATOM 1737 N GLY A 110 5.397 6.694 -15.215 1.00 0.00 N ATOM 1738 CA GLY A 110 5.923 6.296 -13.921 1.00 0.00 C ATOM 1739 C GLY A 110 5.982 7.487 -12.963 1.00 0.00 C ATOM 1740 O GLY A 110 6.951 7.645 -12.221 1.00 0.00 O ATOM 0 H GLY A 110 4.518 6.246 -15.474 1.00 0.00 H new ATOM 0 HA2 GLY A 110 5.296 5.513 -13.495 1.00 0.00 H new ATOM 0 HA3 GLY A 110 6.920 5.874 -14.044 1.00 0.00 H new ATOM 1744 N SER A 111 4.934 8.296 -13.009 1.00 0.00 N ATOM 1745 CA SER A 111 4.855 9.469 -12.154 1.00 0.00 C ATOM 1746 C SER A 111 3.682 9.329 -11.182 1.00 0.00 C ATOM 1747 O SER A 111 2.637 8.788 -11.538 1.00 0.00 O ATOM 1748 CB SER A 111 4.707 10.746 -12.984 1.00 0.00 C ATOM 1749 OG SER A 111 5.286 10.611 -14.279 1.00 0.00 O ATOM 0 H SER A 111 4.132 8.163 -13.625 1.00 0.00 H new ATOM 0 HA SER A 111 5.783 9.542 -11.586 1.00 0.00 H new ATOM 0 HB2 SER A 111 3.650 10.993 -13.083 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.181 11.576 -12.460 1.00 0.00 H new ATOM 0 HG SER A 111 5.328 11.489 -14.712 1.00 0.00 H new ATOM 1755 N CYS A 112 3.895 9.828 -9.973 1.00 0.00 N ATOM 1756 CA CYS A 112 2.869 9.765 -8.946 1.00 0.00 C ATOM 1757 C CYS A 112 1.694 10.641 -9.387 1.00 0.00 C ATOM 1758 O CYS A 112 1.891 11.766 -9.843 1.00 0.00 O ATOM 1759 CB CYS A 112 3.411 10.185 -7.578 1.00 0.00 C ATOM 1760 SG CYS A 112 4.322 11.765 -7.724 1.00 0.00 S ATOM 0 H CYS A 112 4.763 10.278 -9.682 1.00 0.00 H new ATOM 0 HA CYS A 112 2.531 8.735 -8.829 1.00 0.00 H new ATOM 0 HB2 CYS A 112 2.589 10.294 -6.870 1.00 0.00 H new ATOM 0 HB3 CYS A 112 4.070 9.411 -7.185 1.00 0.00 H new ATOM 0 HG CYS A 112 3.784 12.491 -8.659 1.00 0.00 H new ATOM 1766 N LYS A 113 0.498 10.091 -9.237 1.00 0.00 N ATOM 1767 CA LYS A 113 -0.708 10.807 -9.614 1.00 0.00 C ATOM 1768 C LYS A 113 -1.228 11.592 -8.408 1.00 0.00 C ATOM 1769 O LYS A 113 -1.375 11.039 -7.319 1.00 0.00 O ATOM 1770 CB LYS A 113 -1.737 9.847 -10.213 1.00 0.00 C ATOM 1771 CG LYS A 113 -3.073 10.553 -10.453 1.00 0.00 C ATOM 1772 CD LYS A 113 -4.247 9.599 -10.225 1.00 0.00 C ATOM 1773 CE LYS A 113 -4.952 9.274 -11.543 1.00 0.00 C ATOM 1774 NZ LYS A 113 -6.168 10.103 -11.698 1.00 0.00 N ATOM 0 H LYS A 113 0.339 9.157 -8.859 1.00 0.00 H new ATOM 0 HA LYS A 113 -0.490 11.533 -10.398 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -1.360 9.445 -11.154 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -1.884 9.001 -9.541 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -3.161 11.409 -9.784 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -3.106 10.939 -11.472 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -3.888 8.679 -9.764 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -4.956 10.049 -9.530 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -4.275 9.452 -12.378 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -5.219 8.218 -11.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -6.899 9.557 -12.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -6.522 10.379 -10.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -5.939 10.956 -12.247 1.00 0.00 H new ATOM 1788 N ARG A 114 -1.493 12.869 -8.642 1.00 0.00 N ATOM 1789 CA ARG A 114 -1.994 13.735 -7.588 1.00 0.00 C ATOM 1790 C ARG A 114 -2.981 12.975 -6.701 1.00 0.00 C ATOM 1791 O ARG A 114 -3.961 12.417 -7.193 1.00 0.00 O ATOM 1792 CB ARG A 114 -2.687 14.968 -8.172 1.00 0.00 C ATOM 1793 CG ARG A 114 -1.750 16.177 -8.169 1.00 0.00 C ATOM 1794 CD ARG A 114 -1.119 16.385 -9.547 1.00 0.00 C ATOM 1795 NE ARG A 114 -1.673 17.605 -10.178 1.00 0.00 N ATOM 1796 CZ ARG A 114 -1.294 18.851 -9.864 1.00 0.00 C ATOM 1797 NH1 ARG A 114 -0.359 19.050 -8.925 1.00 0.00 N ATOM 1798 NH2 ARG A 114 -1.851 19.898 -10.488 1.00 0.00 N ATOM 0 H ARG A 114 -1.370 13.325 -9.546 1.00 0.00 H new ATOM 0 HA ARG A 114 -1.141 14.060 -6.992 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -3.012 14.758 -9.191 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -3.582 15.195 -7.592 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -2.304 17.070 -7.880 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -0.967 16.033 -7.425 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -0.037 16.474 -9.451 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -1.312 15.518 -10.179 1.00 0.00 H new ATOM 0 HE ARG A 114 -2.388 17.489 -10.896 1.00 0.00 H new ATOM 0 HH11 ARG A 114 0.064 18.253 -8.450 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -0.070 19.999 -8.686 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -2.563 19.746 -11.202 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -1.563 20.847 -10.249 1.00 0.00 H new ATOM 1812 N GLY A 115 -2.690 12.978 -5.409 1.00 0.00 N ATOM 1813 CA GLY A 115 -3.540 12.295 -4.448 1.00 0.00 C ATOM 1814 C GLY A 115 -4.990 12.771 -4.564 1.00 0.00 C ATOM 1815 O GLY A 115 -5.913 11.959 -4.587 1.00 0.00 O ATOM 0 H GLY A 115 -1.877 13.443 -5.004 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -3.492 11.219 -4.615 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -3.173 12.478 -3.438 1.00 0.00 H new ATOM 1819 N PRO A 116 -5.148 14.120 -4.636 1.00 0.00 N ATOM 1820 CA PRO A 116 -6.469 14.713 -4.748 1.00 0.00 C ATOM 1821 C PRO A 116 -7.031 14.537 -6.161 1.00 0.00 C ATOM 1822 O PRO A 116 -8.097 15.061 -6.478 1.00 0.00 O ATOM 1823 CB PRO A 116 -6.280 16.171 -4.362 1.00 0.00 C ATOM 1824 CG PRO A 116 -4.792 16.448 -4.497 1.00 0.00 C ATOM 1825 CD PRO A 116 -4.077 15.112 -4.612 1.00 0.00 C ATOM 0 HA PRO A 116 -7.201 14.234 -4.098 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -6.860 16.826 -5.013 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -6.620 16.352 -3.342 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -4.596 17.062 -5.376 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -4.427 17.003 -3.633 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -3.472 15.063 -5.517 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -3.405 14.949 -3.770 1.00 0.00 H new ATOM 1833 N ARG A 117 -6.287 13.798 -6.971 1.00 0.00 N ATOM 1834 CA ARG A 117 -6.697 13.547 -8.342 1.00 0.00 C ATOM 1835 C ARG A 117 -6.960 12.054 -8.552 1.00 0.00 C ATOM 1836 O ARG A 117 -6.613 11.500 -9.594 1.00 0.00 O ATOM 1837 CB ARG A 117 -5.627 14.013 -9.331 1.00 0.00 C ATOM 1838 CG ARG A 117 -5.622 15.538 -9.456 1.00 0.00 C ATOM 1839 CD ARG A 117 -6.004 15.974 -10.872 1.00 0.00 C ATOM 1840 NE ARG A 117 -4.830 15.868 -11.767 1.00 0.00 N ATOM 1841 CZ ARG A 117 -4.814 16.293 -13.038 1.00 0.00 C ATOM 1842 NH1 ARG A 117 -5.908 16.855 -13.570 1.00 0.00 N ATOM 1843 NH2 ARG A 117 -3.705 16.156 -13.777 1.00 0.00 N ATOM 0 H ARG A 117 -5.403 13.365 -6.704 1.00 0.00 H new ATOM 0 HA ARG A 117 -7.613 14.110 -8.523 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -4.647 13.669 -9.001 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -5.810 13.565 -10.308 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -6.321 15.967 -8.739 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -4.633 15.923 -9.207 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -6.815 15.350 -11.247 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -6.371 17.000 -10.859 1.00 0.00 H new ATOM 0 HE ARG A 117 -3.980 15.445 -11.393 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -6.753 16.959 -13.008 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -5.896 17.179 -14.537 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -2.872 15.728 -13.372 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -3.693 16.480 -14.744 1.00 0.00 H new ATOM 1857 N THR A 118 -7.572 11.447 -7.546 1.00 0.00 N ATOM 1858 CA THR A 118 -7.886 10.030 -7.607 1.00 0.00 C ATOM 1859 C THR A 118 -9.377 9.802 -7.350 1.00 0.00 C ATOM 1860 O THR A 118 -10.076 10.704 -6.892 1.00 0.00 O ATOM 1861 CB THR A 118 -6.980 9.301 -6.613 1.00 0.00 C ATOM 1862 OG1 THR A 118 -7.092 10.066 -5.416 1.00 0.00 O ATOM 1863 CG2 THR A 118 -5.499 9.406 -6.985 1.00 0.00 C ATOM 0 H THR A 118 -7.859 11.911 -6.684 1.00 0.00 H new ATOM 0 HA THR A 118 -7.694 9.626 -8.601 1.00 0.00 H new ATOM 0 HB THR A 118 -7.268 8.251 -6.562 1.00 0.00 H new ATOM 0 HG1 THR A 118 -6.347 10.700 -5.362 1.00 0.00 H new ATOM 0 HG21 THR A 118 -4.900 8.872 -6.248 1.00 0.00 H new ATOM 0 HG22 THR A 118 -5.339 8.966 -7.970 1.00 0.00 H new ATOM 0 HG23 THR A 118 -5.202 10.455 -7.003 1.00 0.00 H new ATOM 1871 N HIS A 119 -9.820 8.591 -7.655 1.00 0.00 N ATOM 1872 CA HIS A 119 -11.215 8.233 -7.462 1.00 0.00 C ATOM 1873 C HIS A 119 -11.413 6.750 -7.779 1.00 0.00 C ATOM 1874 O HIS A 119 -10.474 6.068 -8.188 1.00 0.00 O ATOM 1875 CB HIS A 119 -12.128 9.143 -8.287 1.00 0.00 C ATOM 1876 CG HIS A 119 -12.956 10.096 -7.458 1.00 0.00 C ATOM 1877 ND1 HIS A 119 -13.492 9.750 -6.230 1.00 0.00 N ATOM 1878 CD2 HIS A 119 -13.333 11.385 -7.694 1.00 0.00 C ATOM 1879 CE1 HIS A 119 -14.160 10.792 -5.757 1.00 0.00 C ATOM 1880 NE2 HIS A 119 -14.061 11.804 -6.666 1.00 0.00 N ATOM 0 H HIS A 119 -9.237 7.845 -8.035 1.00 0.00 H new ATOM 0 HA HIS A 119 -11.493 8.386 -6.419 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -11.518 9.719 -8.983 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -12.796 8.524 -8.886 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -13.082 11.966 -8.569 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -14.690 10.833 -4.817 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -14.478 12.730 -6.572 1.00 0.00 H new ATOM 1888 N TYR A 120 -12.640 6.294 -7.580 1.00 0.00 N ATOM 1889 CA TYR A 120 -12.974 4.903 -7.839 1.00 0.00 C ATOM 1890 C TYR A 120 -13.352 4.695 -9.307 1.00 0.00 C ATOM 1891 O TYR A 120 -14.093 5.492 -9.880 1.00 0.00 O ATOM 1892 CB TYR A 120 -14.188 4.590 -6.963 1.00 0.00 C ATOM 1893 CG TYR A 120 -13.856 4.409 -5.480 1.00 0.00 C ATOM 1894 CD1 TYR A 120 -13.122 3.316 -5.066 1.00 0.00 C ATOM 1895 CD2 TYR A 120 -14.290 5.339 -4.557 1.00 0.00 C ATOM 1896 CE1 TYR A 120 -12.809 3.146 -3.671 1.00 0.00 C ATOM 1897 CE2 TYR A 120 -13.977 5.168 -3.162 1.00 0.00 C ATOM 1898 CZ TYR A 120 -13.252 4.080 -2.788 1.00 0.00 C ATOM 1899 OH TYR A 120 -12.956 3.919 -1.470 1.00 0.00 O ATOM 0 H TYR A 120 -13.416 6.863 -7.242 1.00 0.00 H new ATOM 0 HA TYR A 120 -12.124 4.257 -7.620 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -14.915 5.396 -7.066 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -14.664 3.682 -7.332 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -12.782 2.588 -5.788 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -14.864 6.195 -4.881 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -12.235 2.296 -3.334 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -14.311 5.888 -2.429 1.00 0.00 H new ATOM 0 HH TYR A 120 -13.335 4.662 -0.956 1.00 0.00 H new ATOM 1909 N GLY A 121 -12.825 3.619 -9.874 1.00 0.00 N ATOM 1910 CA GLY A 121 -13.098 3.296 -11.264 1.00 0.00 C ATOM 1911 C GLY A 121 -11.843 3.464 -12.122 1.00 0.00 C ATOM 1912 O GLY A 121 -11.818 3.047 -13.279 1.00 0.00 O ATOM 0 H GLY A 121 -12.211 2.960 -9.396 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -13.459 2.270 -11.339 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -13.891 3.942 -11.642 1.00 0.00 H new ATOM 1916 N GLN A 122 -10.832 4.075 -11.522 1.00 0.00 N ATOM 1917 CA GLN A 122 -9.577 4.303 -12.218 1.00 0.00 C ATOM 1918 C GLN A 122 -8.664 3.084 -12.079 1.00 0.00 C ATOM 1919 O GLN A 122 -8.786 2.318 -11.124 1.00 0.00 O ATOM 1920 CB GLN A 122 -8.886 5.567 -11.701 1.00 0.00 C ATOM 1921 CG GLN A 122 -9.745 6.806 -11.960 1.00 0.00 C ATOM 1922 CD GLN A 122 -8.923 8.087 -11.799 1.00 0.00 C ATOM 1923 OE1 GLN A 122 -8.276 8.559 -12.720 1.00 0.00 O ATOM 1924 NE2 GLN A 122 -8.984 8.620 -10.582 1.00 0.00 N ATOM 0 H GLN A 122 -10.856 4.419 -10.562 1.00 0.00 H new ATOM 0 HA GLN A 122 -9.792 4.452 -13.276 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -8.694 5.470 -10.632 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -7.918 5.682 -12.189 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -10.161 6.761 -12.967 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -10.587 6.820 -11.268 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -9.545 8.173 -9.857 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -8.470 9.476 -10.374 1.00 0.00 H new ATOM 1933 N LYS A 123 -7.769 2.941 -13.045 1.00 0.00 N ATOM 1934 CA LYS A 123 -6.835 1.827 -13.043 1.00 0.00 C ATOM 1935 C LYS A 123 -5.532 2.262 -12.370 1.00 0.00 C ATOM 1936 O LYS A 123 -4.514 1.579 -12.482 1.00 0.00 O ATOM 1937 CB LYS A 123 -6.645 1.285 -14.461 1.00 0.00 C ATOM 1938 CG LYS A 123 -5.978 -0.092 -14.436 1.00 0.00 C ATOM 1939 CD LYS A 123 -6.972 -1.176 -14.016 1.00 0.00 C ATOM 1940 CE LYS A 123 -7.446 -1.984 -15.225 1.00 0.00 C ATOM 1941 NZ LYS A 123 -8.159 -3.205 -14.786 1.00 0.00 N ATOM 0 H LYS A 123 -7.670 3.578 -13.835 1.00 0.00 H new ATOM 0 HA LYS A 123 -7.233 0.996 -12.460 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -7.611 1.216 -14.961 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -6.035 1.978 -15.041 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -5.577 -0.324 -15.423 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -5.135 -0.079 -13.745 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -6.505 -1.841 -13.290 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -7.829 -0.717 -13.522 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -8.105 -1.373 -15.842 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -6.592 -2.258 -15.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -8.474 -3.742 -15.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -7.519 -3.794 -14.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -8.985 -2.938 -14.214 1.00 0.00 H new ATOM 1955 N ALA A 124 -5.604 3.395 -11.687 1.00 0.00 N ATOM 1956 CA ALA A 124 -4.442 3.928 -10.997 1.00 0.00 C ATOM 1957 C ALA A 124 -4.480 3.491 -9.531 1.00 0.00 C ATOM 1958 O ALA A 124 -3.506 2.943 -9.018 1.00 0.00 O ATOM 1959 CB ALA A 124 -4.411 5.450 -11.151 1.00 0.00 C ATOM 0 H ALA A 124 -6.449 3.959 -11.597 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.523 3.537 -11.434 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.539 5.850 -10.633 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.355 5.708 -12.209 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -5.317 5.878 -10.721 1.00 0.00 H new ATOM 1965 N ILE A 125 -5.615 3.751 -8.899 1.00 0.00 N ATOM 1966 CA ILE A 125 -5.793 3.391 -7.503 1.00 0.00 C ATOM 1967 C ILE A 125 -5.623 1.879 -7.344 1.00 0.00 C ATOM 1968 O ILE A 125 -5.126 1.410 -6.321 1.00 0.00 O ATOM 1969 CB ILE A 125 -7.131 3.917 -6.980 1.00 0.00 C ATOM 1970 CG1 ILE A 125 -8.274 2.965 -7.340 1.00 0.00 C ATOM 1971 CG2 ILE A 125 -7.392 5.341 -7.477 1.00 0.00 C ATOM 1972 CD1 ILE A 125 -9.625 3.547 -6.920 1.00 0.00 C ATOM 0 H ILE A 125 -6.420 4.207 -9.328 1.00 0.00 H new ATOM 0 HA ILE A 125 -5.028 3.865 -6.888 1.00 0.00 H new ATOM 0 HB ILE A 125 -7.079 3.960 -5.892 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -8.272 2.779 -8.414 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -8.120 2.004 -6.850 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -8.349 5.691 -7.091 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -6.597 6.000 -7.128 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -7.416 5.347 -8.567 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -10.420 2.851 -7.187 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -9.632 3.709 -5.842 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -9.787 4.496 -7.431 1.00 0.00 H new ATOM 1984 N LEU A 126 -6.045 1.157 -8.372 1.00 0.00 N ATOM 1985 CA LEU A 126 -5.945 -0.293 -8.360 1.00 0.00 C ATOM 1986 C LEU A 126 -4.470 -0.698 -8.329 1.00 0.00 C ATOM 1987 O LEU A 126 -3.796 -0.678 -9.357 1.00 0.00 O ATOM 1988 CB LEU A 126 -6.724 -0.893 -9.532 1.00 0.00 C ATOM 1989 CG LEU A 126 -8.240 -0.693 -9.503 1.00 0.00 C ATOM 1990 CD1 LEU A 126 -8.886 -1.204 -10.792 1.00 0.00 C ATOM 1991 CD2 LEU A 126 -8.855 -1.338 -8.259 1.00 0.00 C ATOM 0 H LEU A 126 -6.457 1.549 -9.219 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.406 -0.700 -7.460 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -6.339 -0.463 -10.457 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -6.519 -1.963 -9.568 1.00 0.00 H new ATOM 0 HG LEU A 126 -8.442 0.377 -9.444 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -9.964 -1.050 -10.745 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -8.478 -0.660 -11.644 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -8.677 -2.267 -10.907 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -9.934 -1.181 -8.263 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -8.644 -2.407 -8.262 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -8.426 -0.886 -7.365 1.00 0.00 H new ATOM 2003 N PHE A 127 -4.013 -1.057 -7.138 1.00 0.00 N ATOM 2004 CA PHE A 127 -2.631 -1.466 -6.960 1.00 0.00 C ATOM 2005 C PHE A 127 -2.541 -2.951 -6.602 1.00 0.00 C ATOM 2006 O PHE A 127 -3.268 -3.429 -5.732 1.00 0.00 O ATOM 2007 CB PHE A 127 -2.065 -0.640 -5.803 1.00 0.00 C ATOM 2008 CG PHE A 127 -1.213 0.551 -6.248 1.00 0.00 C ATOM 2009 CD1 PHE A 127 -1.391 1.090 -7.484 1.00 0.00 C ATOM 2010 CD2 PHE A 127 -0.279 1.070 -5.408 1.00 0.00 C ATOM 2011 CE1 PHE A 127 -0.601 2.196 -7.897 1.00 0.00 C ATOM 2012 CE2 PHE A 127 0.512 2.176 -5.820 1.00 0.00 C ATOM 2013 CZ PHE A 127 0.334 2.715 -7.056 1.00 0.00 C ATOM 0 H PHE A 127 -4.576 -1.073 -6.287 1.00 0.00 H new ATOM 0 HA PHE A 127 -2.074 -1.307 -7.884 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -2.891 -0.275 -5.192 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -1.461 -1.289 -5.168 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -2.133 0.677 -8.151 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -0.138 0.641 -4.427 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -0.743 2.625 -8.878 1.00 0.00 H new ATOM 0 HE2 PHE A 127 1.254 2.588 -5.152 1.00 0.00 H new ATOM 0 HZ PHE A 127 0.935 3.555 -7.370 1.00 0.00 H new ATOM 2023 N LEU A 128 -1.642 -3.640 -7.290 1.00 0.00 N ATOM 2024 CA LEU A 128 -1.447 -5.060 -7.055 1.00 0.00 C ATOM 2025 C LEU A 128 -0.050 -5.290 -6.475 1.00 0.00 C ATOM 2026 O LEU A 128 0.951 -4.976 -7.115 1.00 0.00 O ATOM 2027 CB LEU A 128 -1.721 -5.857 -8.333 1.00 0.00 C ATOM 2028 CG LEU A 128 -2.835 -6.902 -8.245 1.00 0.00 C ATOM 2029 CD1 LEU A 128 -3.098 -7.538 -9.612 1.00 0.00 C ATOM 2030 CD2 LEU A 128 -2.522 -7.950 -7.176 1.00 0.00 C ATOM 0 H LEU A 128 -1.041 -3.241 -8.010 1.00 0.00 H new ATOM 0 HA LEU A 128 -2.162 -5.426 -6.318 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -1.970 -5.155 -9.129 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -0.800 -6.360 -8.628 1.00 0.00 H new ATOM 0 HG LEU A 128 -3.753 -6.398 -7.941 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -3.894 -8.277 -9.522 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -3.398 -6.766 -10.321 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -2.190 -8.024 -9.968 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -3.330 -8.680 -7.135 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -1.589 -8.455 -7.424 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -2.424 -7.462 -6.206 1.00 0.00 H new ATOM 2042 N PRO A 129 -0.028 -5.852 -5.236 1.00 0.00 N ATOM 2043 CA PRO A 129 1.229 -6.127 -4.562 1.00 0.00 C ATOM 2044 C PRO A 129 1.919 -7.352 -5.167 1.00 0.00 C ATOM 2045 O PRO A 129 1.411 -8.467 -5.068 1.00 0.00 O ATOM 2046 CB PRO A 129 0.859 -6.317 -3.100 1.00 0.00 C ATOM 2047 CG PRO A 129 -0.634 -6.601 -3.082 1.00 0.00 C ATOM 2048 CD PRO A 129 -1.195 -6.237 -4.448 1.00 0.00 C ATOM 0 HA PRO A 129 1.952 -5.319 -4.675 1.00 0.00 H new ATOM 0 HB2 PRO A 129 1.419 -7.142 -2.659 1.00 0.00 H new ATOM 0 HB3 PRO A 129 1.094 -5.426 -2.518 1.00 0.00 H new ATOM 0 HG2 PRO A 129 -0.820 -7.652 -2.861 1.00 0.00 H new ATOM 0 HG3 PRO A 129 -1.124 -6.019 -2.301 1.00 0.00 H new ATOM 0 HD2 PRO A 129 -1.717 -7.081 -4.899 1.00 0.00 H new ATOM 0 HD3 PRO A 129 -1.912 -5.419 -4.377 1.00 0.00 H new ATOM 2056 N LEU A 130 3.066 -7.102 -5.782 1.00 0.00 N ATOM 2057 CA LEU A 130 3.831 -8.170 -6.403 1.00 0.00 C ATOM 2058 C LEU A 130 5.010 -8.539 -5.501 1.00 0.00 C ATOM 2059 O LEU A 130 5.738 -7.663 -5.035 1.00 0.00 O ATOM 2060 CB LEU A 130 4.242 -7.777 -7.823 1.00 0.00 C ATOM 2061 CG LEU A 130 3.118 -7.733 -8.860 1.00 0.00 C ATOM 2062 CD1 LEU A 130 3.599 -7.094 -10.164 1.00 0.00 C ATOM 2063 CD2 LEU A 130 2.528 -9.126 -9.088 1.00 0.00 C ATOM 0 H LEU A 130 3.484 -6.175 -5.863 1.00 0.00 H new ATOM 0 HA LEU A 130 3.219 -9.066 -6.509 1.00 0.00 H new ATOM 0 HB2 LEU A 130 4.712 -6.794 -7.785 1.00 0.00 H new ATOM 0 HB3 LEU A 130 5.000 -8.480 -8.168 1.00 0.00 H new ATOM 0 HG LEU A 130 2.318 -7.104 -8.470 1.00 0.00 H new ATOM 0 HD11 LEU A 130 2.781 -7.075 -10.884 1.00 0.00 H new ATOM 0 HD12 LEU A 130 3.933 -6.075 -9.968 1.00 0.00 H new ATOM 0 HD13 LEU A 130 4.426 -7.676 -10.571 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.731 -9.067 -9.829 1.00 0.00 H new ATOM 0 HD22 LEU A 130 3.308 -9.797 -9.447 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.124 -9.508 -8.151 1.00 0.00 H new ATOM 2075 N PRO A 131 5.165 -9.871 -5.274 1.00 0.00 N ATOM 2076 CA PRO A 131 6.244 -10.366 -4.436 1.00 0.00 C ATOM 2077 C PRO A 131 7.584 -10.299 -5.170 1.00 0.00 C ATOM 2078 O PRO A 131 7.636 -10.442 -6.390 1.00 0.00 O ATOM 2079 CB PRO A 131 5.837 -11.784 -4.070 1.00 0.00 C ATOM 2080 CG PRO A 131 4.784 -12.192 -5.087 1.00 0.00 C ATOM 2081 CD PRO A 131 4.323 -10.936 -5.809 1.00 0.00 C ATOM 0 HA PRO A 131 6.391 -9.763 -3.540 1.00 0.00 H new ATOM 0 HB2 PRO A 131 6.694 -12.457 -4.104 1.00 0.00 H new ATOM 0 HB3 PRO A 131 5.438 -11.826 -3.057 1.00 0.00 H new ATOM 0 HG2 PRO A 131 5.196 -12.910 -5.796 1.00 0.00 H new ATOM 0 HG3 PRO A 131 3.943 -12.678 -4.592 1.00 0.00 H new ATOM 0 HD2 PRO A 131 4.444 -11.032 -6.888 1.00 0.00 H new ATOM 0 HD3 PRO A 131 3.267 -10.737 -5.623 1.00 0.00 H new ATOM 2089 N VAL A 132 8.637 -10.080 -4.395 1.00 0.00 N ATOM 2090 CA VAL A 132 9.974 -9.992 -4.956 1.00 0.00 C ATOM 2091 C VAL A 132 10.973 -10.623 -3.985 1.00 0.00 C ATOM 2092 O VAL A 132 10.662 -10.823 -2.811 1.00 0.00 O ATOM 2093 CB VAL A 132 10.305 -8.537 -5.293 1.00 0.00 C ATOM 2094 CG1 VAL A 132 10.523 -7.715 -4.021 1.00 0.00 C ATOM 2095 CG2 VAL A 132 11.523 -8.451 -6.216 1.00 0.00 C ATOM 0 H VAL A 132 8.591 -9.961 -3.383 1.00 0.00 H new ATOM 0 HA VAL A 132 10.033 -10.550 -5.891 1.00 0.00 H new ATOM 0 HB VAL A 132 9.452 -8.114 -5.823 1.00 0.00 H new ATOM 0 HG11 VAL A 132 10.757 -6.685 -4.289 1.00 0.00 H new ATOM 0 HG12 VAL A 132 9.617 -7.736 -3.415 1.00 0.00 H new ATOM 0 HG13 VAL A 132 11.350 -8.138 -3.452 1.00 0.00 H new ATOM 0 HG21 VAL A 132 11.737 -7.406 -6.440 1.00 0.00 H new ATOM 0 HG22 VAL A 132 12.385 -8.900 -5.723 1.00 0.00 H new ATOM 0 HG23 VAL A 132 11.316 -8.986 -7.143 1.00 0.00 H new