USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 577 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 71 THR OG1 : rot 180:sc= 0.59 USER MOD Set 1.2: A 74 HIS : no HE2:sc= 0.0474 K(o=0.64,f=-4.5!) USER MOD Set 2.1: A 62 LYS NZ :NH3+ -163:sc= 2.27 (180deg=0.929) USER MOD Set 2.2: A 66 GLN : amide:sc= 1.5 K(o=3.8,f=-3.1!) USER MOD Set 3.1: A 54 THR OG1 : rot 166:sc= 0.428 USER MOD Set 3.2: A 57 GLN : amide:sc= 0.562 K(o=0.99,f=-0.17) USER MOD Set 4.1: A 36 LYS NZ :NH3+ 143:sc= 2.07 (180deg=0.832) USER MOD Set 4.2: A 53 THR OG1 : rot 74:sc= 1.53 USER MOD Single : A 8 ASN : amide:sc= -0.307 X(o=-0.31,f=0.18) USER MOD Single : A 9 GLN : amide:sc= 0.499 K(o=0.5,f=-0.51) USER MOD Single : A 14 THR OG1 : rot -150:sc= -0.287 USER MOD Single : A 15 ASN : amide:sc= 0.634 K(o=0.63,f=-0.31) USER MOD Single : A 20 THR OG1 : rot 118:sc= 1.13 USER MOD Single : A 21 ASN : amide:sc= 0.0285 K(o=0.029,f=-2.1) USER MOD Single : A 23 MET CE :methyl -173:sc= 0 (180deg=-0.0427) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 78:sc= 1.21 USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.165 X(o=-0.17,f=-0.031) USER MOD Single : A 31 GLN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 137:sc= 1.27 USER MOD Single : A 59 ASN : amide:sc= 0.536 K(o=0.54,f=0) USER MOD Single : A 69 LYS NZ :NH3+ -160:sc= 1.21 (180deg=0.718) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 179:sc= -0.194 (180deg=-0.196) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 29:sc= 0.44 USER MOD ----------------------------------------------------------------- ATOM 90 N PRO A 7 12.459 6.398 9.337 1.00 0.00 N ATOM 91 CA PRO A 7 13.491 6.864 8.418 1.00 0.00 C ATOM 92 C PRO A 7 14.693 5.914 8.374 1.00 0.00 C ATOM 93 O PRO A 7 15.101 5.354 9.396 1.00 0.00 O ATOM 94 CB PRO A 7 13.867 8.274 8.878 1.00 0.00 C ATOM 95 CG PRO A 7 13.352 8.365 10.314 1.00 0.00 C ATOM 96 CD PRO A 7 12.150 7.423 10.320 1.00 0.00 C ATOM 0 HA PRO A 7 13.124 6.884 7.392 1.00 0.00 H new ATOM 0 HB2 PRO A 7 14.945 8.431 8.833 1.00 0.00 H new ATOM 0 HB3 PRO A 7 13.408 9.033 8.244 1.00 0.00 H new ATOM 0 HG2 PRO A 7 14.110 8.054 11.033 1.00 0.00 H new ATOM 0 HG3 PRO A 7 13.065 9.384 10.574 1.00 0.00 H new ATOM 0 HD2 PRO A 7 11.997 6.987 11.307 1.00 0.00 H new ATOM 0 HD3 PRO A 7 11.234 7.953 10.060 1.00 0.00 H new ATOM 104 N ASN A 8 15.277 5.762 7.182 1.00 0.00 N ATOM 105 CA ASN A 8 16.409 4.883 6.910 1.00 0.00 C ATOM 106 C ASN A 8 17.309 5.611 5.916 1.00 0.00 C ATOM 107 O ASN A 8 16.810 6.224 4.973 1.00 0.00 O ATOM 108 CB ASN A 8 15.920 3.543 6.327 1.00 0.00 C ATOM 109 CG ASN A 8 17.070 2.563 6.143 1.00 0.00 C ATOM 110 OD1 ASN A 8 17.470 1.873 7.072 1.00 0.00 O ATOM 111 ND2 ASN A 8 17.641 2.475 4.952 1.00 0.00 N ATOM 0 H ASN A 8 14.961 6.267 6.354 1.00 0.00 H new ATOM 0 HA ASN A 8 16.955 4.655 7.825 1.00 0.00 H new ATOM 0 HB2 ASN A 8 15.172 3.108 6.990 1.00 0.00 H new ATOM 0 HB3 ASN A 8 15.433 3.718 5.368 1.00 0.00 H new ATOM 0 HD21 ASN A 8 18.418 1.830 4.805 1.00 0.00 H new ATOM 0 HD22 ASN A 8 17.304 3.052 4.181 1.00 0.00 H new ATOM 118 N GLN A 9 18.622 5.561 6.132 1.00 0.00 N ATOM 119 CA GLN A 9 19.659 6.253 5.356 1.00 0.00 C ATOM 120 C GLN A 9 19.634 5.968 3.847 1.00 0.00 C ATOM 121 O GLN A 9 20.151 6.748 3.043 1.00 0.00 O ATOM 122 CB GLN A 9 20.999 5.792 5.941 1.00 0.00 C ATOM 123 CG GLN A 9 22.178 6.585 5.400 1.00 0.00 C ATOM 124 CD GLN A 9 23.489 6.289 6.118 1.00 0.00 C ATOM 125 OE1 GLN A 9 23.584 5.414 6.982 1.00 0.00 O ATOM 126 NE2 GLN A 9 24.519 7.032 5.761 1.00 0.00 N ATOM 0 H GLN A 9 19.016 5.008 6.893 1.00 0.00 H new ATOM 0 HA GLN A 9 19.489 7.327 5.437 1.00 0.00 H new ATOM 0 HB2 GLN A 9 20.969 5.888 7.026 1.00 0.00 H new ATOM 0 HB3 GLN A 9 21.144 4.735 5.718 1.00 0.00 H new ATOM 0 HG2 GLN A 9 22.297 6.367 4.339 1.00 0.00 H new ATOM 0 HG3 GLN A 9 21.959 7.649 5.484 1.00 0.00 H new ATOM 0 HE21 GLN A 9 24.407 7.748 5.043 1.00 0.00 H new ATOM 0 HE22 GLN A 9 25.427 6.891 6.203 1.00 0.00 H new ATOM 135 N ILE A 10 19.087 4.817 3.475 1.00 0.00 N ATOM 136 CA ILE A 10 19.056 4.305 2.115 1.00 0.00 C ATOM 137 C ILE A 10 17.580 4.125 1.755 1.00 0.00 C ATOM 138 O ILE A 10 16.758 3.750 2.601 1.00 0.00 O ATOM 139 CB ILE A 10 19.916 3.014 2.022 1.00 0.00 C ATOM 140 CG1 ILE A 10 21.393 3.310 2.385 1.00 0.00 C ATOM 141 CG2 ILE A 10 19.847 2.350 0.631 1.00 0.00 C ATOM 142 CD1 ILE A 10 22.280 2.062 2.490 1.00 0.00 C ATOM 0 H ILE A 10 18.635 4.191 4.142 1.00 0.00 H new ATOM 0 HA ILE A 10 19.500 4.983 1.386 1.00 0.00 H new ATOM 0 HB ILE A 10 19.495 2.313 2.742 1.00 0.00 H new ATOM 0 HG12 ILE A 10 21.813 3.978 1.633 1.00 0.00 H new ATOM 0 HG13 ILE A 10 21.422 3.843 3.336 1.00 0.00 H new ATOM 0 HG21 ILE A 10 20.467 1.453 0.625 1.00 0.00 H new ATOM 0 HG22 ILE A 10 18.815 2.080 0.408 1.00 0.00 H new ATOM 0 HG23 ILE A 10 20.211 3.047 -0.124 1.00 0.00 H new ATOM 0 HD11 ILE A 10 23.297 2.359 2.747 1.00 0.00 H new ATOM 0 HD12 ILE A 10 21.888 1.401 3.263 1.00 0.00 H new ATOM 0 HD13 ILE A 10 22.286 1.538 1.534 1.00 0.00 H new ATOM 154 N LEU A 11 17.249 4.371 0.494 1.00 0.00 N ATOM 155 CA LEU A 11 15.919 4.242 -0.078 1.00 0.00 C ATOM 156 C LEU A 11 15.996 3.157 -1.143 1.00 0.00 C ATOM 157 O LEU A 11 17.031 3.023 -1.802 1.00 0.00 O ATOM 158 CB LEU A 11 15.491 5.571 -0.728 1.00 0.00 C ATOM 159 CG LEU A 11 15.439 6.788 0.214 1.00 0.00 C ATOM 160 CD1 LEU A 11 15.152 8.053 -0.603 1.00 0.00 C ATOM 161 CD2 LEU A 11 14.388 6.609 1.316 1.00 0.00 C ATOM 0 H LEU A 11 17.938 4.682 -0.191 1.00 0.00 H new ATOM 0 HA LEU A 11 15.191 3.989 0.693 1.00 0.00 H new ATOM 0 HB2 LEU A 11 16.180 5.794 -1.543 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.505 5.436 -1.172 1.00 0.00 H new ATOM 0 HG LEU A 11 16.407 6.883 0.706 1.00 0.00 H new ATOM 0 HD11 LEU A 11 15.115 8.915 0.063 1.00 0.00 H new ATOM 0 HD12 LEU A 11 15.942 8.197 -1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 11 14.195 7.947 -1.113 1.00 0.00 H new ATOM 0 HD21 LEU A 11 14.382 7.489 1.960 1.00 0.00 H new ATOM 0 HD22 LEU A 11 13.404 6.484 0.864 1.00 0.00 H new ATOM 0 HD23 LEU A 11 14.629 5.727 1.909 1.00 0.00 H new ATOM 173 N PHE A 12 14.900 2.429 -1.344 1.00 0.00 N ATOM 174 CA PHE A 12 14.721 1.497 -2.446 1.00 0.00 C ATOM 175 C PHE A 12 13.625 2.083 -3.325 1.00 0.00 C ATOM 176 O PHE A 12 12.600 2.551 -2.819 1.00 0.00 O ATOM 177 CB PHE A 12 14.339 0.103 -1.935 1.00 0.00 C ATOM 178 CG PHE A 12 13.982 -0.850 -3.065 1.00 0.00 C ATOM 179 CD1 PHE A 12 14.976 -1.284 -3.962 1.00 0.00 C ATOM 180 CD2 PHE A 12 12.648 -1.250 -3.270 1.00 0.00 C ATOM 181 CE1 PHE A 12 14.654 -2.147 -5.023 1.00 0.00 C ATOM 182 CE2 PHE A 12 12.324 -2.125 -4.324 1.00 0.00 C ATOM 183 CZ PHE A 12 13.328 -2.576 -5.200 1.00 0.00 C ATOM 0 H PHE A 12 14.091 2.475 -0.725 1.00 0.00 H new ATOM 0 HA PHE A 12 15.646 1.370 -3.008 1.00 0.00 H new ATOM 0 HB2 PHE A 12 15.169 -0.311 -1.362 1.00 0.00 H new ATOM 0 HB3 PHE A 12 13.492 0.188 -1.254 1.00 0.00 H new ATOM 0 HD1 PHE A 12 15.995 -0.951 -3.834 1.00 0.00 H new ATOM 0 HD2 PHE A 12 11.870 -0.884 -2.616 1.00 0.00 H new ATOM 0 HE1 PHE A 12 15.425 -2.480 -5.702 1.00 0.00 H new ATOM 0 HE2 PHE A 12 11.303 -2.450 -4.460 1.00 0.00 H new ATOM 0 HZ PHE A 12 13.080 -3.250 -6.006 1.00 0.00 H new ATOM 193 N LEU A 13 13.845 2.083 -4.633 1.00 0.00 N ATOM 194 CA LEU A 13 13.032 2.785 -5.608 1.00 0.00 C ATOM 195 C LEU A 13 12.573 1.808 -6.677 1.00 0.00 C ATOM 196 O LEU A 13 13.286 0.860 -7.014 1.00 0.00 O ATOM 197 CB LEU A 13 13.850 3.908 -6.261 1.00 0.00 C ATOM 198 CG LEU A 13 13.808 5.246 -5.510 1.00 0.00 C ATOM 199 CD1 LEU A 13 14.626 5.229 -4.213 1.00 0.00 C ATOM 200 CD2 LEU A 13 14.362 6.334 -6.427 1.00 0.00 C ATOM 0 H LEU A 13 14.622 1.575 -5.056 1.00 0.00 H new ATOM 0 HA LEU A 13 12.166 3.218 -5.108 1.00 0.00 H new ATOM 0 HB2 LEU A 13 14.888 3.584 -6.343 1.00 0.00 H new ATOM 0 HB3 LEU A 13 13.484 4.064 -7.276 1.00 0.00 H new ATOM 0 HG LEU A 13 12.771 5.437 -5.236 1.00 0.00 H new ATOM 0 HD11 LEU A 13 14.558 6.202 -3.727 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.234 4.462 -3.545 1.00 0.00 H new ATOM 0 HD13 LEU A 13 15.669 5.011 -4.443 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.340 7.293 -5.909 1.00 0.00 H new ATOM 0 HD22 LEU A 13 15.390 6.092 -6.699 1.00 0.00 H new ATOM 0 HD23 LEU A 13 13.753 6.395 -7.329 1.00 0.00 H new ATOM 212 N THR A 14 11.392 2.085 -7.221 1.00 0.00 N ATOM 213 CA THR A 14 10.632 1.221 -8.113 1.00 0.00 C ATOM 214 C THR A 14 9.832 2.061 -9.117 1.00 0.00 C ATOM 215 O THR A 14 9.754 3.288 -9.002 1.00 0.00 O ATOM 216 CB THR A 14 9.694 0.328 -7.269 1.00 0.00 C ATOM 217 OG1 THR A 14 9.369 0.892 -6.004 1.00 0.00 O ATOM 218 CG2 THR A 14 10.306 -1.038 -7.009 1.00 0.00 C ATOM 0 H THR A 14 10.915 2.968 -7.040 1.00 0.00 H new ATOM 0 HA THR A 14 11.314 0.587 -8.680 1.00 0.00 H new ATOM 0 HB THR A 14 8.787 0.241 -7.866 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.210 0.174 -5.357 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.618 -1.637 -6.413 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.495 -1.539 -7.959 1.00 0.00 H new ATOM 0 HG23 THR A 14 11.245 -0.919 -6.469 1.00 0.00 H new ATOM 226 N ASN A 15 9.196 1.387 -10.084 1.00 0.00 N ATOM 227 CA ASN A 15 8.380 1.975 -11.150 1.00 0.00 C ATOM 228 C ASN A 15 9.135 3.046 -11.960 1.00 0.00 C ATOM 229 O ASN A 15 8.545 3.991 -12.490 1.00 0.00 O ATOM 230 CB ASN A 15 7.040 2.476 -10.580 1.00 0.00 C ATOM 231 CG ASN A 15 6.026 2.784 -11.679 1.00 0.00 C ATOM 232 OD1 ASN A 15 5.730 1.940 -12.522 1.00 0.00 O ATOM 233 ND2 ASN A 15 5.446 3.972 -11.678 1.00 0.00 N ATOM 0 H ASN A 15 9.239 0.370 -10.146 1.00 0.00 H new ATOM 0 HA ASN A 15 8.156 1.191 -11.874 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.628 1.723 -9.909 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.213 3.373 -9.985 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.744 4.197 -12.383 1.00 0.00 H new ATOM 0 HD22 ASN A 15 5.701 4.663 -10.973 1.00 0.00 H new ATOM 240 N LEU A 16 10.462 2.926 -12.014 1.00 0.00 N ATOM 241 CA LEU A 16 11.344 3.832 -12.744 1.00 0.00 C ATOM 242 C LEU A 16 11.251 3.517 -14.252 1.00 0.00 C ATOM 243 O LEU A 16 10.674 2.485 -14.615 1.00 0.00 O ATOM 244 CB LEU A 16 12.789 3.686 -12.216 1.00 0.00 C ATOM 245 CG LEU A 16 12.961 3.628 -10.685 1.00 0.00 C ATOM 246 CD1 LEU A 16 14.434 3.404 -10.351 1.00 0.00 C ATOM 247 CD2 LEU A 16 12.457 4.895 -9.989 1.00 0.00 C ATOM 0 H LEU A 16 10.964 2.176 -11.538 1.00 0.00 H new ATOM 0 HA LEU A 16 11.039 4.867 -12.591 1.00 0.00 H new ATOM 0 HB2 LEU A 16 13.217 2.779 -12.642 1.00 0.00 H new ATOM 0 HB3 LEU A 16 13.376 4.523 -12.593 1.00 0.00 H new ATOM 0 HG LEU A 16 12.357 2.799 -10.316 1.00 0.00 H new ATOM 0 HD11 LEU A 16 14.560 3.362 -9.269 1.00 0.00 H new ATOM 0 HD12 LEU A 16 14.768 2.465 -10.791 1.00 0.00 H new ATOM 0 HD13 LEU A 16 15.027 4.225 -10.754 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.602 4.801 -8.913 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.013 5.758 -10.356 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.397 5.030 -10.202 1.00 0.00 H new ATOM 259 N PRO A 17 11.789 4.375 -15.141 1.00 0.00 N ATOM 260 CA PRO A 17 11.928 4.074 -16.560 1.00 0.00 C ATOM 261 C PRO A 17 12.561 2.701 -16.828 1.00 0.00 C ATOM 262 O PRO A 17 13.322 2.165 -16.025 1.00 0.00 O ATOM 263 CB PRO A 17 12.786 5.196 -17.146 1.00 0.00 C ATOM 264 CG PRO A 17 12.503 6.374 -16.224 1.00 0.00 C ATOM 265 CD PRO A 17 12.263 5.722 -14.868 1.00 0.00 C ATOM 0 HA PRO A 17 10.944 4.022 -17.026 1.00 0.00 H new ATOM 0 HB2 PRO A 17 13.844 4.933 -17.149 1.00 0.00 H new ATOM 0 HB3 PRO A 17 12.509 5.417 -18.177 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.343 7.068 -16.192 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.633 6.942 -16.555 1.00 0.00 H new ATOM 0 HD2 PRO A 17 13.180 5.700 -14.280 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.528 6.283 -14.291 1.00 0.00 H new ATOM 273 N GLU A 18 12.350 2.170 -18.031 1.00 0.00 N ATOM 274 CA GLU A 18 13.066 0.983 -18.506 1.00 0.00 C ATOM 275 C GLU A 18 14.490 1.355 -18.958 1.00 0.00 C ATOM 276 O GLU A 18 15.209 0.523 -19.509 1.00 0.00 O ATOM 277 CB GLU A 18 12.267 0.312 -19.638 1.00 0.00 C ATOM 278 CG GLU A 18 10.906 -0.217 -19.162 1.00 0.00 C ATOM 279 CD GLU A 18 10.175 -0.978 -20.282 1.00 0.00 C ATOM 280 OE1 GLU A 18 9.452 -0.347 -21.088 1.00 0.00 O ATOM 281 OE2 GLU A 18 10.297 -2.223 -20.363 1.00 0.00 O ATOM 0 H GLU A 18 11.681 2.547 -18.703 1.00 0.00 H new ATOM 0 HA GLU A 18 13.162 0.269 -17.688 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.113 1.029 -20.444 1.00 0.00 H new ATOM 0 HB3 GLU A 18 12.849 -0.512 -20.051 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.050 -0.876 -18.306 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.289 0.615 -18.823 1.00 0.00 H new ATOM 288 N GLU A 19 14.902 2.610 -18.739 1.00 0.00 N ATOM 289 CA GLU A 19 16.105 3.220 -19.265 1.00 0.00 C ATOM 290 C GLU A 19 16.827 4.072 -18.204 1.00 0.00 C ATOM 291 O GLU A 19 17.727 4.839 -18.550 1.00 0.00 O ATOM 292 CB GLU A 19 15.739 4.082 -20.495 1.00 0.00 C ATOM 293 CG GLU A 19 14.954 3.372 -21.613 1.00 0.00 C ATOM 294 CD GLU A 19 15.701 2.197 -22.282 1.00 0.00 C ATOM 295 OE1 GLU A 19 16.953 2.180 -22.324 1.00 0.00 O ATOM 296 OE2 GLU A 19 15.030 1.306 -22.851 1.00 0.00 O ATOM 0 H GLU A 19 14.367 3.253 -18.156 1.00 0.00 H new ATOM 0 HA GLU A 19 16.793 2.428 -19.560 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.153 4.935 -20.153 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.660 4.479 -20.922 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.016 3.000 -21.200 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.697 4.104 -22.379 1.00 0.00 H new ATOM 303 N THR A 20 16.429 3.991 -16.926 1.00 0.00 N ATOM 304 CA THR A 20 17.030 4.764 -15.841 1.00 0.00 C ATOM 305 C THR A 20 18.530 4.468 -15.782 1.00 0.00 C ATOM 306 O THR A 20 18.959 3.334 -16.013 1.00 0.00 O ATOM 307 CB THR A 20 16.353 4.449 -14.493 1.00 0.00 C ATOM 308 OG1 THR A 20 15.019 4.046 -14.679 1.00 0.00 O ATOM 309 CG2 THR A 20 16.336 5.675 -13.575 1.00 0.00 C ATOM 0 H THR A 20 15.673 3.379 -16.619 1.00 0.00 H new ATOM 0 HA THR A 20 16.881 5.826 -16.037 1.00 0.00 H new ATOM 0 HB THR A 20 16.934 3.647 -14.038 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.907 3.127 -14.358 1.00 0.00 H new ATOM 0 HG21 THR A 20 15.851 5.418 -12.633 1.00 0.00 H new ATOM 0 HG22 THR A 20 17.359 5.998 -13.381 1.00 0.00 H new ATOM 0 HG23 THR A 20 15.786 6.483 -14.057 1.00 0.00 H new ATOM 317 N ASN A 21 19.322 5.480 -15.431 1.00 0.00 N ATOM 318 CA ASN A 21 20.757 5.356 -15.249 1.00 0.00 C ATOM 319 C ASN A 21 21.117 6.050 -13.942 1.00 0.00 C ATOM 320 O ASN A 21 20.381 6.930 -13.492 1.00 0.00 O ATOM 321 CB ASN A 21 21.501 5.972 -16.449 1.00 0.00 C ATOM 322 CG ASN A 21 23.019 5.845 -16.323 1.00 0.00 C ATOM 323 OD1 ASN A 21 23.532 4.863 -15.794 1.00 0.00 O ATOM 324 ND2 ASN A 21 23.767 6.844 -16.760 1.00 0.00 N ATOM 0 H ASN A 21 18.973 6.424 -15.264 1.00 0.00 H new ATOM 0 HA ASN A 21 21.056 4.309 -15.198 1.00 0.00 H new ATOM 0 HB2 ASN A 21 21.173 5.482 -17.366 1.00 0.00 H new ATOM 0 HB3 ASN A 21 21.234 7.025 -16.537 1.00 0.00 H new ATOM 0 HD21 ASN A 21 24.781 6.804 -16.659 1.00 0.00 H new ATOM 0 HD22 ASN A 21 23.330 7.655 -17.198 1.00 0.00 H new ATOM 331 N GLU A 22 22.252 5.682 -13.347 1.00 0.00 N ATOM 332 CA GLU A 22 22.739 6.202 -12.069 1.00 0.00 C ATOM 333 C GLU A 22 22.764 7.734 -12.078 1.00 0.00 C ATOM 334 O GLU A 22 22.379 8.376 -11.100 1.00 0.00 O ATOM 335 CB GLU A 22 24.130 5.595 -11.822 1.00 0.00 C ATOM 336 CG GLU A 22 24.632 5.781 -10.387 1.00 0.00 C ATOM 337 CD GLU A 22 26.060 5.230 -10.217 1.00 0.00 C ATOM 338 OE1 GLU A 22 26.243 3.992 -10.176 1.00 0.00 O ATOM 339 OE2 GLU A 22 27.018 6.032 -10.128 1.00 0.00 O ATOM 0 H GLU A 22 22.879 4.990 -13.756 1.00 0.00 H new ATOM 0 HA GLU A 22 22.072 5.919 -11.254 1.00 0.00 H new ATOM 0 HB2 GLU A 22 24.099 4.530 -12.052 1.00 0.00 H new ATOM 0 HB3 GLU A 22 24.843 6.049 -12.510 1.00 0.00 H new ATOM 0 HG2 GLU A 22 24.615 6.840 -10.128 1.00 0.00 H new ATOM 0 HG3 GLU A 22 23.959 5.273 -9.696 1.00 0.00 H new ATOM 346 N MET A 23 23.150 8.316 -13.216 1.00 0.00 N ATOM 347 CA MET A 23 23.252 9.759 -13.402 1.00 0.00 C ATOM 348 C MET A 23 21.895 10.453 -13.259 1.00 0.00 C ATOM 349 O MET A 23 21.840 11.555 -12.714 1.00 0.00 O ATOM 350 CB MET A 23 23.879 10.045 -14.776 1.00 0.00 C ATOM 351 CG MET A 23 24.209 11.531 -14.975 1.00 0.00 C ATOM 352 SD MET A 23 24.957 11.947 -16.579 1.00 0.00 S ATOM 353 CE MET A 23 26.596 11.186 -16.401 1.00 0.00 C ATOM 0 H MET A 23 23.405 7.784 -14.048 1.00 0.00 H new ATOM 0 HA MET A 23 23.891 10.167 -12.618 1.00 0.00 H new ATOM 0 HB2 MET A 23 24.790 9.456 -14.886 1.00 0.00 H new ATOM 0 HB3 MET A 23 23.194 9.721 -15.559 1.00 0.00 H new ATOM 0 HG2 MET A 23 23.293 12.109 -14.858 1.00 0.00 H new ATOM 0 HG3 MET A 23 24.888 11.846 -14.182 1.00 0.00 H new ATOM 0 HE1 MET A 23 27.219 11.460 -17.252 1.00 0.00 H new ATOM 0 HE2 MET A 23 27.063 11.539 -15.481 1.00 0.00 H new ATOM 0 HE3 MET A 23 26.491 10.102 -16.362 1.00 0.00 H new ATOM 363 N MET A 24 20.808 9.820 -13.720 1.00 0.00 N ATOM 364 CA MET A 24 19.470 10.413 -13.691 1.00 0.00 C ATOM 365 C MET A 24 19.067 10.651 -12.246 1.00 0.00 C ATOM 366 O MET A 24 18.747 11.768 -11.838 1.00 0.00 O ATOM 367 CB MET A 24 18.419 9.517 -14.380 1.00 0.00 C ATOM 368 CG MET A 24 18.722 9.296 -15.858 1.00 0.00 C ATOM 369 SD MET A 24 17.417 8.399 -16.736 1.00 0.00 S ATOM 370 CE MET A 24 18.209 8.212 -18.356 1.00 0.00 C ATOM 0 H MET A 24 20.834 8.883 -14.123 1.00 0.00 H new ATOM 0 HA MET A 24 19.507 11.353 -14.241 1.00 0.00 H new ATOM 0 HB2 MET A 24 18.378 8.553 -13.872 1.00 0.00 H new ATOM 0 HB3 MET A 24 17.434 9.973 -14.278 1.00 0.00 H new ATOM 0 HG2 MET A 24 18.874 10.263 -16.338 1.00 0.00 H new ATOM 0 HG3 MET A 24 19.657 8.744 -15.951 1.00 0.00 H new ATOM 0 HE1 MET A 24 17.539 7.676 -19.029 1.00 0.00 H new ATOM 0 HE2 MET A 24 18.428 9.196 -18.770 1.00 0.00 H new ATOM 0 HE3 MET A 24 19.137 7.651 -18.245 1.00 0.00 H new ATOM 380 N LEU A 25 19.124 9.590 -11.448 1.00 0.00 N ATOM 381 CA LEU A 25 18.695 9.690 -10.065 1.00 0.00 C ATOM 382 C LEU A 25 19.685 10.530 -9.273 1.00 0.00 C ATOM 383 O LEU A 25 19.263 11.233 -8.360 1.00 0.00 O ATOM 384 CB LEU A 25 18.533 8.311 -9.427 1.00 0.00 C ATOM 385 CG LEU A 25 17.533 7.382 -10.135 1.00 0.00 C ATOM 386 CD1 LEU A 25 17.272 6.187 -9.220 1.00 0.00 C ATOM 387 CD2 LEU A 25 16.227 8.100 -10.494 1.00 0.00 C ATOM 0 H LEU A 25 19.457 8.669 -11.731 1.00 0.00 H new ATOM 0 HA LEU A 25 17.720 10.176 -10.048 1.00 0.00 H new ATOM 0 HB2 LEU A 25 19.507 7.822 -9.403 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.216 8.441 -8.392 1.00 0.00 H new ATOM 0 HG LEU A 25 17.960 7.049 -11.081 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.564 5.510 -9.699 1.00 0.00 H new ATOM 0 HD12 LEU A 25 18.208 5.661 -9.033 1.00 0.00 H new ATOM 0 HD13 LEU A 25 16.857 6.536 -8.275 1.00 0.00 H new ATOM 0 HD21 LEU A 25 15.553 7.403 -10.992 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.755 8.474 -9.585 1.00 0.00 H new ATOM 0 HD23 LEU A 25 16.442 8.935 -11.161 1.00 0.00 H new ATOM 399 N SER A 26 20.975 10.507 -9.626 1.00 0.00 N ATOM 400 CA SER A 26 21.957 11.345 -8.960 1.00 0.00 C ATOM 401 C SER A 26 21.593 12.815 -9.148 1.00 0.00 C ATOM 402 O SER A 26 21.457 13.531 -8.158 1.00 0.00 O ATOM 403 CB SER A 26 23.374 11.043 -9.459 1.00 0.00 C ATOM 404 OG SER A 26 23.714 9.691 -9.213 1.00 0.00 O ATOM 0 H SER A 26 21.354 9.917 -10.367 1.00 0.00 H new ATOM 0 HA SER A 26 21.945 11.122 -7.893 1.00 0.00 H new ATOM 0 HB2 SER A 26 23.441 11.251 -10.527 1.00 0.00 H new ATOM 0 HB3 SER A 26 24.088 11.699 -8.961 1.00 0.00 H new ATOM 0 HG SER A 26 23.288 9.119 -9.885 1.00 0.00 H new ATOM 410 N MET A 27 21.367 13.268 -10.385 1.00 0.00 N ATOM 411 CA MET A 27 21.031 14.671 -10.616 1.00 0.00 C ATOM 412 C MET A 27 19.660 15.025 -10.023 1.00 0.00 C ATOM 413 O MET A 27 19.482 16.168 -9.596 1.00 0.00 O ATOM 414 CB MET A 27 21.208 15.074 -12.093 1.00 0.00 C ATOM 415 CG MET A 27 20.208 14.499 -13.102 1.00 0.00 C ATOM 416 SD MET A 27 18.561 15.262 -13.111 1.00 0.00 S ATOM 417 CE MET A 27 17.740 14.198 -14.329 1.00 0.00 C ATOM 0 H MET A 27 21.410 12.693 -11.227 1.00 0.00 H new ATOM 0 HA MET A 27 21.750 15.285 -10.073 1.00 0.00 H new ATOM 0 HB2 MET A 27 21.162 16.161 -12.154 1.00 0.00 H new ATOM 0 HB3 MET A 27 22.210 14.780 -12.405 1.00 0.00 H new ATOM 0 HG2 MET A 27 20.635 14.592 -14.100 1.00 0.00 H new ATOM 0 HG3 MET A 27 20.092 13.434 -12.902 1.00 0.00 H new ATOM 0 HE1 MET A 27 16.709 14.525 -14.461 1.00 0.00 H new ATOM 0 HE2 MET A 27 18.266 14.262 -15.281 1.00 0.00 H new ATOM 0 HE3 MET A 27 17.751 13.166 -13.977 1.00 0.00 H new ATOM 427 N LEU A 28 18.719 14.072 -9.926 1.00 0.00 N ATOM 428 CA LEU A 28 17.432 14.328 -9.282 1.00 0.00 C ATOM 429 C LEU A 28 17.597 14.513 -7.779 1.00 0.00 C ATOM 430 O LEU A 28 17.172 15.538 -7.249 1.00 0.00 O ATOM 431 CB LEU A 28 16.403 13.222 -9.578 1.00 0.00 C ATOM 432 CG LEU A 28 15.857 13.239 -11.019 1.00 0.00 C ATOM 433 CD1 LEU A 28 14.928 12.039 -11.238 1.00 0.00 C ATOM 434 CD2 LEU A 28 15.096 14.528 -11.358 1.00 0.00 C ATOM 0 H LEU A 28 18.830 13.124 -10.285 1.00 0.00 H new ATOM 0 HA LEU A 28 17.047 15.255 -9.707 1.00 0.00 H new ATOM 0 HB2 LEU A 28 16.863 12.252 -9.387 1.00 0.00 H new ATOM 0 HB3 LEU A 28 15.569 13.322 -8.884 1.00 0.00 H new ATOM 0 HG LEU A 28 16.722 13.186 -11.680 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.545 12.057 -12.258 1.00 0.00 H new ATOM 0 HD12 LEU A 28 15.482 11.115 -11.074 1.00 0.00 H new ATOM 0 HD13 LEU A 28 14.095 12.091 -10.537 1.00 0.00 H new ATOM 0 HD21 LEU A 28 14.737 14.479 -12.386 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.248 14.638 -10.682 1.00 0.00 H new ATOM 0 HD23 LEU A 28 15.762 15.384 -11.247 1.00 0.00 H new ATOM 446 N PHE A 29 18.188 13.549 -7.080 1.00 0.00 N ATOM 447 CA PHE A 29 18.233 13.576 -5.618 1.00 0.00 C ATOM 448 C PHE A 29 19.309 14.523 -5.069 1.00 0.00 C ATOM 449 O PHE A 29 19.159 15.025 -3.955 1.00 0.00 O ATOM 450 CB PHE A 29 18.441 12.159 -5.071 1.00 0.00 C ATOM 451 CG PHE A 29 17.184 11.311 -5.027 1.00 0.00 C ATOM 452 CD1 PHE A 29 16.711 10.649 -6.175 1.00 0.00 C ATOM 453 CD2 PHE A 29 16.483 11.178 -3.813 1.00 0.00 C ATOM 454 CE1 PHE A 29 15.544 9.872 -6.107 1.00 0.00 C ATOM 455 CE2 PHE A 29 15.312 10.407 -3.744 1.00 0.00 C ATOM 456 CZ PHE A 29 14.839 9.761 -4.896 1.00 0.00 C ATOM 0 H PHE A 29 18.643 12.739 -7.500 1.00 0.00 H new ATOM 0 HA PHE A 29 17.273 13.964 -5.279 1.00 0.00 H new ATOM 0 HB2 PHE A 29 19.185 11.652 -5.685 1.00 0.00 H new ATOM 0 HB3 PHE A 29 18.853 12.229 -4.064 1.00 0.00 H new ATOM 0 HD1 PHE A 29 17.246 10.739 -7.109 1.00 0.00 H new ATOM 0 HD2 PHE A 29 16.850 11.674 -2.926 1.00 0.00 H new ATOM 0 HE1 PHE A 29 15.187 9.358 -6.987 1.00 0.00 H new ATOM 0 HE2 PHE A 29 14.778 10.312 -2.810 1.00 0.00 H new ATOM 0 HZ PHE A 29 13.931 9.177 -4.852 1.00 0.00 H new ATOM 466 N ASN A 30 20.383 14.811 -5.810 1.00 0.00 N ATOM 467 CA ASN A 30 21.487 15.641 -5.314 1.00 0.00 C ATOM 468 C ASN A 30 21.073 17.092 -5.027 1.00 0.00 C ATOM 469 O ASN A 30 21.815 17.825 -4.373 1.00 0.00 O ATOM 470 CB ASN A 30 22.665 15.594 -6.286 1.00 0.00 C ATOM 471 CG ASN A 30 23.871 16.400 -5.805 1.00 0.00 C ATOM 472 OD1 ASN A 30 24.431 16.133 -4.745 1.00 0.00 O ATOM 473 ND2 ASN A 30 24.313 17.383 -6.574 1.00 0.00 N ATOM 0 H ASN A 30 20.512 14.478 -6.765 1.00 0.00 H new ATOM 0 HA ASN A 30 21.792 15.218 -4.357 1.00 0.00 H new ATOM 0 HB2 ASN A 30 22.965 14.557 -6.435 1.00 0.00 H new ATOM 0 HB3 ASN A 30 22.344 15.975 -7.255 1.00 0.00 H new ATOM 0 HD21 ASN A 30 25.127 17.928 -6.288 1.00 0.00 H new ATOM 0 HD22 ASN A 30 23.840 17.596 -7.452 1.00 0.00 H new ATOM 480 N GLN A 31 19.890 17.524 -5.488 1.00 0.00 N ATOM 481 CA GLN A 31 19.344 18.831 -5.142 1.00 0.00 C ATOM 482 C GLN A 31 19.189 18.996 -3.621 1.00 0.00 C ATOM 483 O GLN A 31 19.258 20.120 -3.120 1.00 0.00 O ATOM 484 CB GLN A 31 18.013 19.071 -5.880 1.00 0.00 C ATOM 485 CG GLN A 31 16.841 18.234 -5.340 1.00 0.00 C ATOM 486 CD GLN A 31 15.561 18.461 -6.145 1.00 0.00 C ATOM 487 OE1 GLN A 31 14.862 19.457 -5.968 1.00 0.00 O ATOM 488 NE2 GLN A 31 15.228 17.559 -7.051 1.00 0.00 N ATOM 0 H GLN A 31 19.293 16.976 -6.107 1.00 0.00 H new ATOM 0 HA GLN A 31 20.053 19.592 -5.470 1.00 0.00 H new ATOM 0 HB2 GLN A 31 17.755 20.128 -5.809 1.00 0.00 H new ATOM 0 HB3 GLN A 31 18.150 18.847 -6.938 1.00 0.00 H new ATOM 0 HG2 GLN A 31 17.106 17.177 -5.369 1.00 0.00 H new ATOM 0 HG3 GLN A 31 16.663 18.489 -4.295 1.00 0.00 H new ATOM 0 HE21 GLN A 31 15.814 16.736 -7.191 1.00 0.00 H new ATOM 0 HE22 GLN A 31 14.385 17.686 -7.611 1.00 0.00 H new ATOM 497 N PHE A 32 18.962 17.899 -2.887 1.00 0.00 N ATOM 498 CA PHE A 32 18.750 17.941 -1.444 1.00 0.00 C ATOM 499 C PHE A 32 20.119 17.935 -0.748 1.00 0.00 C ATOM 500 O PHE A 32 20.995 17.170 -1.168 1.00 0.00 O ATOM 501 CB PHE A 32 17.890 16.743 -1.010 1.00 0.00 C ATOM 502 CG PHE A 32 16.603 16.583 -1.805 1.00 0.00 C ATOM 503 CD1 PHE A 32 15.625 17.597 -1.804 1.00 0.00 C ATOM 504 CD2 PHE A 32 16.411 15.442 -2.603 1.00 0.00 C ATOM 505 CE1 PHE A 32 14.490 17.482 -2.631 1.00 0.00 C ATOM 506 CE2 PHE A 32 15.280 15.323 -3.422 1.00 0.00 C ATOM 507 CZ PHE A 32 14.329 16.353 -3.453 1.00 0.00 C ATOM 0 H PHE A 32 18.921 16.959 -3.282 1.00 0.00 H new ATOM 0 HA PHE A 32 18.217 18.848 -1.161 1.00 0.00 H new ATOM 0 HB2 PHE A 32 18.480 15.832 -1.107 1.00 0.00 H new ATOM 0 HB3 PHE A 32 17.641 16.851 0.046 1.00 0.00 H new ATOM 0 HD1 PHE A 32 15.745 18.463 -1.169 1.00 0.00 H new ATOM 0 HD2 PHE A 32 17.143 14.648 -2.585 1.00 0.00 H new ATOM 0 HE1 PHE A 32 13.743 18.262 -2.633 1.00 0.00 H new ATOM 0 HE2 PHE A 32 15.141 14.440 -4.028 1.00 0.00 H new ATOM 0 HZ PHE A 32 13.473 16.279 -4.108 1.00 0.00 H new ATOM 517 N PRO A 33 20.327 18.728 0.324 1.00 0.00 N ATOM 518 CA PRO A 33 21.618 18.906 0.999 1.00 0.00 C ATOM 519 C PRO A 33 21.994 17.706 1.899 1.00 0.00 C ATOM 520 O PRO A 33 22.442 17.867 3.038 1.00 0.00 O ATOM 521 CB PRO A 33 21.479 20.237 1.754 1.00 0.00 C ATOM 522 CG PRO A 33 20.001 20.268 2.127 1.00 0.00 C ATOM 523 CD PRO A 33 19.338 19.625 0.912 1.00 0.00 C ATOM 0 HA PRO A 33 22.451 18.942 0.296 1.00 0.00 H new ATOM 0 HB2 PRO A 33 22.118 20.269 2.636 1.00 0.00 H new ATOM 0 HB3 PRO A 33 21.755 21.086 1.129 1.00 0.00 H new ATOM 0 HG2 PRO A 33 19.802 19.709 3.041 1.00 0.00 H new ATOM 0 HG3 PRO A 33 19.646 21.285 2.292 1.00 0.00 H new ATOM 0 HD2 PRO A 33 18.443 19.076 1.204 1.00 0.00 H new ATOM 0 HD3 PRO A 33 19.027 20.383 0.194 1.00 0.00 H new ATOM 531 N GLY A 34 21.796 16.485 1.399 1.00 0.00 N ATOM 532 CA GLY A 34 22.059 15.250 2.118 1.00 0.00 C ATOM 533 C GLY A 34 22.373 14.060 1.224 1.00 0.00 C ATOM 534 O GLY A 34 22.793 13.042 1.767 1.00 0.00 O ATOM 0 H GLY A 34 21.438 16.330 0.456 1.00 0.00 H new ATOM 0 HA2 GLY A 34 22.896 15.410 2.797 1.00 0.00 H new ATOM 0 HA3 GLY A 34 21.191 15.009 2.732 1.00 0.00 H new ATOM 538 N PHE A 35 22.199 14.141 -0.100 1.00 0.00 N ATOM 539 CA PHE A 35 22.495 13.059 -1.022 1.00 0.00 C ATOM 540 C PHE A 35 23.930 12.563 -0.847 1.00 0.00 C ATOM 541 O PHE A 35 24.832 13.321 -0.477 1.00 0.00 O ATOM 542 CB PHE A 35 22.268 13.606 -2.432 1.00 0.00 C ATOM 543 CG PHE A 35 22.685 12.697 -3.569 1.00 0.00 C ATOM 544 CD1 PHE A 35 21.781 11.751 -4.083 1.00 0.00 C ATOM 545 CD2 PHE A 35 23.971 12.814 -4.131 1.00 0.00 C ATOM 546 CE1 PHE A 35 22.153 10.939 -5.163 1.00 0.00 C ATOM 547 CE2 PHE A 35 24.346 11.991 -5.206 1.00 0.00 C ATOM 548 CZ PHE A 35 23.435 11.058 -5.721 1.00 0.00 C ATOM 0 H PHE A 35 21.842 14.978 -0.560 1.00 0.00 H new ATOM 0 HA PHE A 35 21.849 12.202 -0.832 1.00 0.00 H new ATOM 0 HB2 PHE A 35 21.208 13.835 -2.546 1.00 0.00 H new ATOM 0 HB3 PHE A 35 22.810 14.547 -2.527 1.00 0.00 H new ATOM 0 HD1 PHE A 35 20.799 11.650 -3.645 1.00 0.00 H new ATOM 0 HD2 PHE A 35 24.669 13.537 -3.735 1.00 0.00 H new ATOM 0 HE1 PHE A 35 21.453 10.222 -5.566 1.00 0.00 H new ATOM 0 HE2 PHE A 35 25.334 12.077 -5.635 1.00 0.00 H new ATOM 0 HZ PHE A 35 23.721 10.428 -6.551 1.00 0.00 H new ATOM 558 N LYS A 36 24.147 11.291 -1.167 1.00 0.00 N ATOM 559 CA LYS A 36 25.473 10.674 -1.214 1.00 0.00 C ATOM 560 C LYS A 36 25.645 9.900 -2.511 1.00 0.00 C ATOM 561 O LYS A 36 26.629 10.148 -3.209 1.00 0.00 O ATOM 562 CB LYS A 36 25.704 9.701 -0.038 1.00 0.00 C ATOM 563 CG LYS A 36 25.633 10.275 1.384 1.00 0.00 C ATOM 564 CD LYS A 36 26.972 10.722 1.979 1.00 0.00 C ATOM 565 CE LYS A 36 27.649 11.854 1.206 1.00 0.00 C ATOM 566 NZ LYS A 36 26.958 13.157 1.360 1.00 0.00 N ATOM 0 H LYS A 36 23.394 10.646 -1.406 1.00 0.00 H new ATOM 0 HA LYS A 36 26.199 11.484 -1.147 1.00 0.00 H new ATOM 0 HB2 LYS A 36 24.968 8.901 -0.114 1.00 0.00 H new ATOM 0 HB3 LYS A 36 26.685 9.245 -0.167 1.00 0.00 H new ATOM 0 HG2 LYS A 36 24.954 11.127 1.380 1.00 0.00 H new ATOM 0 HG3 LYS A 36 25.196 9.522 2.040 1.00 0.00 H new ATOM 0 HD2 LYS A 36 26.811 11.044 3.008 1.00 0.00 H new ATOM 0 HD3 LYS A 36 27.646 9.866 2.014 1.00 0.00 H new ATOM 0 HE2 LYS A 36 28.680 11.953 1.547 1.00 0.00 H new ATOM 0 HE3 LYS A 36 27.687 11.592 0.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 27.663 13.921 1.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 26.326 13.313 0.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 26.400 13.152 2.238 1.00 0.00 H new ATOM 580 N GLU A 37 24.744 8.965 -2.831 1.00 0.00 N ATOM 581 CA GLU A 37 24.992 8.044 -3.945 1.00 0.00 C ATOM 582 C GLU A 37 23.702 7.408 -4.478 1.00 0.00 C ATOM 583 O GLU A 37 22.638 7.526 -3.869 1.00 0.00 O ATOM 584 CB GLU A 37 25.989 6.958 -3.469 1.00 0.00 C ATOM 585 CG GLU A 37 26.929 6.477 -4.585 1.00 0.00 C ATOM 586 CD GLU A 37 27.982 5.488 -4.052 1.00 0.00 C ATOM 587 OE1 GLU A 37 27.681 4.282 -3.907 1.00 0.00 O ATOM 588 OE2 GLU A 37 29.137 5.904 -3.795 1.00 0.00 O ATOM 0 H GLU A 37 23.857 8.827 -2.347 1.00 0.00 H new ATOM 0 HA GLU A 37 25.416 8.608 -4.776 1.00 0.00 H new ATOM 0 HB2 GLU A 37 26.584 7.354 -2.646 1.00 0.00 H new ATOM 0 HB3 GLU A 37 25.432 6.107 -3.079 1.00 0.00 H new ATOM 0 HG2 GLU A 37 26.346 5.999 -5.372 1.00 0.00 H new ATOM 0 HG3 GLU A 37 27.429 7.335 -5.035 1.00 0.00 H new ATOM 595 N VAL A 38 23.820 6.683 -5.593 1.00 0.00 N ATOM 596 CA VAL A 38 22.785 5.863 -6.221 1.00 0.00 C ATOM 597 C VAL A 38 23.404 4.498 -6.545 1.00 0.00 C ATOM 598 O VAL A 38 24.602 4.398 -6.823 1.00 0.00 O ATOM 599 CB VAL A 38 22.273 6.566 -7.501 1.00 0.00 C ATOM 600 CG1 VAL A 38 21.267 5.734 -8.319 1.00 0.00 C ATOM 601 CG2 VAL A 38 21.620 7.908 -7.169 1.00 0.00 C ATOM 0 H VAL A 38 24.697 6.652 -6.113 1.00 0.00 H new ATOM 0 HA VAL A 38 21.932 5.727 -5.556 1.00 0.00 H new ATOM 0 HB VAL A 38 23.165 6.705 -8.112 1.00 0.00 H new ATOM 0 HG11 VAL A 38 20.958 6.299 -9.199 1.00 0.00 H new ATOM 0 HG12 VAL A 38 21.736 4.801 -8.633 1.00 0.00 H new ATOM 0 HG13 VAL A 38 20.394 5.513 -7.705 1.00 0.00 H new ATOM 0 HG21 VAL A 38 21.270 8.379 -8.087 1.00 0.00 H new ATOM 0 HG22 VAL A 38 20.775 7.746 -6.499 1.00 0.00 H new ATOM 0 HG23 VAL A 38 22.349 8.557 -6.683 1.00 0.00 H new ATOM 611 N ARG A 39 22.570 3.456 -6.565 1.00 0.00 N ATOM 612 CA ARG A 39 22.892 2.118 -7.047 1.00 0.00 C ATOM 613 C ARG A 39 21.733 1.718 -7.953 1.00 0.00 C ATOM 614 O ARG A 39 20.670 1.325 -7.471 1.00 0.00 O ATOM 615 CB ARG A 39 23.105 1.171 -5.851 1.00 0.00 C ATOM 616 CG ARG A 39 23.286 -0.305 -6.244 1.00 0.00 C ATOM 617 CD ARG A 39 23.369 -1.180 -4.987 1.00 0.00 C ATOM 618 NE ARG A 39 23.468 -2.611 -5.337 1.00 0.00 N ATOM 619 CZ ARG A 39 22.734 -3.616 -4.837 1.00 0.00 C ATOM 620 NH1 ARG A 39 21.780 -3.394 -3.935 1.00 0.00 N ATOM 621 NH2 ARG A 39 22.964 -4.858 -5.248 1.00 0.00 N ATOM 0 H ARG A 39 21.609 3.529 -6.230 1.00 0.00 H new ATOM 0 HA ARG A 39 23.822 2.073 -7.613 1.00 0.00 H new ATOM 0 HB2 ARG A 39 23.983 1.498 -5.294 1.00 0.00 H new ATOM 0 HB3 ARG A 39 22.251 1.255 -5.178 1.00 0.00 H new ATOM 0 HG2 ARG A 39 22.452 -0.628 -6.867 1.00 0.00 H new ATOM 0 HG3 ARG A 39 24.192 -0.422 -6.839 1.00 0.00 H new ATOM 0 HD2 ARG A 39 24.235 -0.887 -4.394 1.00 0.00 H new ATOM 0 HD3 ARG A 39 22.488 -1.015 -4.367 1.00 0.00 H new ATOM 0 HE ARG A 39 24.170 -2.862 -6.033 1.00 0.00 H new ATOM 0 HH11 ARG A 39 21.595 -2.445 -3.611 1.00 0.00 H new ATOM 0 HH12 ARG A 39 21.234 -4.173 -3.568 1.00 0.00 H new ATOM 0 HH21 ARG A 39 23.693 -5.040 -5.938 1.00 0.00 H new ATOM 0 HH22 ARG A 39 22.411 -5.630 -4.874 1.00 0.00 H new ATOM 635 N LEU A 40 21.902 1.900 -9.262 1.00 0.00 N ATOM 636 CA LEU A 40 20.981 1.374 -10.261 1.00 0.00 C ATOM 637 C LEU A 40 21.089 -0.154 -10.250 1.00 0.00 C ATOM 638 O LEU A 40 22.041 -0.726 -9.714 1.00 0.00 O ATOM 639 CB LEU A 40 21.345 1.949 -11.654 1.00 0.00 C ATOM 640 CG LEU A 40 20.198 2.593 -12.457 1.00 0.00 C ATOM 641 CD1 LEU A 40 19.079 1.606 -12.795 1.00 0.00 C ATOM 642 CD2 LEU A 40 19.615 3.828 -11.759 1.00 0.00 C ATOM 0 H LEU A 40 22.686 2.419 -9.658 1.00 0.00 H new ATOM 0 HA LEU A 40 19.955 1.665 -10.036 1.00 0.00 H new ATOM 0 HB2 LEU A 40 22.128 2.695 -11.520 1.00 0.00 H new ATOM 0 HB3 LEU A 40 21.771 1.145 -12.254 1.00 0.00 H new ATOM 0 HG LEU A 40 20.654 2.913 -13.394 1.00 0.00 H new ATOM 0 HD11 LEU A 40 18.301 2.118 -13.361 1.00 0.00 H new ATOM 0 HD12 LEU A 40 19.483 0.788 -13.392 1.00 0.00 H new ATOM 0 HD13 LEU A 40 18.655 1.207 -11.873 1.00 0.00 H new ATOM 0 HD21 LEU A 40 18.811 4.243 -12.366 1.00 0.00 H new ATOM 0 HD22 LEU A 40 19.223 3.543 -10.783 1.00 0.00 H new ATOM 0 HD23 LEU A 40 20.397 4.577 -11.631 1.00 0.00 H new ATOM 654 N VAL A 41 20.154 -0.808 -10.929 1.00 0.00 N ATOM 655 CA VAL A 41 20.195 -2.235 -11.215 1.00 0.00 C ATOM 656 C VAL A 41 20.187 -2.332 -12.741 1.00 0.00 C ATOM 657 O VAL A 41 19.105 -2.406 -13.321 1.00 0.00 O ATOM 658 CB VAL A 41 19.052 -2.974 -10.480 1.00 0.00 C ATOM 659 CG1 VAL A 41 19.167 -4.492 -10.685 1.00 0.00 C ATOM 660 CG2 VAL A 41 19.081 -2.694 -8.966 1.00 0.00 C ATOM 0 H VAL A 41 19.325 -0.347 -11.305 1.00 0.00 H new ATOM 0 HA VAL A 41 21.085 -2.741 -10.839 1.00 0.00 H new ATOM 0 HB VAL A 41 18.117 -2.605 -10.901 1.00 0.00 H new ATOM 0 HG11 VAL A 41 18.354 -4.993 -10.160 1.00 0.00 H new ATOM 0 HG12 VAL A 41 19.107 -4.721 -11.749 1.00 0.00 H new ATOM 0 HG13 VAL A 41 20.122 -4.841 -10.292 1.00 0.00 H new ATOM 0 HG21 VAL A 41 18.264 -3.229 -8.481 1.00 0.00 H new ATOM 0 HG22 VAL A 41 20.031 -3.031 -8.552 1.00 0.00 H new ATOM 0 HG23 VAL A 41 18.968 -1.624 -8.792 1.00 0.00 H new ATOM 722 N HIS A 45 16.558 -1.788 -14.426 1.00 0.00 N ATOM 723 CA HIS A 45 16.408 -0.350 -14.669 1.00 0.00 C ATOM 724 C HIS A 45 15.146 0.283 -14.063 1.00 0.00 C ATOM 725 O HIS A 45 15.190 1.456 -13.698 1.00 0.00 O ATOM 726 CB HIS A 45 16.511 -0.005 -16.163 1.00 0.00 C ATOM 727 CG HIS A 45 17.724 -0.572 -16.860 1.00 0.00 C ATOM 728 ND1 HIS A 45 17.759 -1.704 -17.645 1.00 0.00 N ATOM 729 CD2 HIS A 45 18.982 -0.035 -16.869 1.00 0.00 C ATOM 730 CE1 HIS A 45 19.010 -1.841 -18.116 1.00 0.00 C ATOM 731 NE2 HIS A 45 19.798 -0.844 -17.670 1.00 0.00 N ATOM 0 HA HIS A 45 17.249 0.094 -14.137 1.00 0.00 H new ATOM 0 HB2 HIS A 45 15.616 -0.368 -16.668 1.00 0.00 H new ATOM 0 HB3 HIS A 45 16.521 1.080 -16.272 1.00 0.00 H new ATOM 0 HD2 HIS A 45 19.293 0.859 -16.348 1.00 0.00 H new ATOM 0 HE1 HIS A 45 19.338 -2.641 -18.763 1.00 0.00 H new ATOM 0 HE2 HIS A 45 20.788 -0.706 -17.874 1.00 0.00 H new ATOM 739 N ASP A 46 14.052 -0.467 -13.906 1.00 0.00 N ATOM 740 CA ASP A 46 12.797 -0.001 -13.317 1.00 0.00 C ATOM 741 C ASP A 46 12.872 0.046 -11.790 1.00 0.00 C ATOM 742 O ASP A 46 11.917 0.493 -11.153 1.00 0.00 O ATOM 743 CB ASP A 46 11.616 -0.875 -13.761 1.00 0.00 C ATOM 744 CG ASP A 46 11.608 -2.231 -13.051 1.00 0.00 C ATOM 745 OD1 ASP A 46 12.625 -2.947 -13.147 1.00 0.00 O ATOM 746 OD2 ASP A 46 10.600 -2.611 -12.416 1.00 0.00 O ATOM 0 H ASP A 46 14.016 -1.445 -14.195 1.00 0.00 H new ATOM 0 HA ASP A 46 12.634 1.014 -13.680 1.00 0.00 H new ATOM 0 HB2 ASP A 46 10.681 -0.353 -13.556 1.00 0.00 H new ATOM 0 HB3 ASP A 46 11.665 -1.030 -14.839 1.00 0.00 H new ATOM 751 N ILE A 47 13.994 -0.383 -11.205 1.00 0.00 N ATOM 752 CA ILE A 47 14.284 -0.322 -9.779 1.00 0.00 C ATOM 753 C ILE A 47 15.687 0.255 -9.548 1.00 0.00 C ATOM 754 O ILE A 47 16.536 0.212 -10.445 1.00 0.00 O ATOM 755 CB ILE A 47 14.164 -1.730 -9.164 1.00 0.00 C ATOM 756 CG1 ILE A 47 15.364 -2.586 -9.634 1.00 0.00 C ATOM 757 CG2 ILE A 47 12.793 -2.355 -9.481 1.00 0.00 C ATOM 758 CD1 ILE A 47 15.177 -4.087 -9.519 1.00 0.00 C ATOM 0 H ILE A 47 14.755 -0.800 -11.741 1.00 0.00 H new ATOM 0 HA ILE A 47 13.562 0.334 -9.293 1.00 0.00 H new ATOM 0 HB ILE A 47 14.208 -1.675 -8.076 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.577 -2.342 -10.675 1.00 0.00 H new ATOM 0 HG13 ILE A 47 16.241 -2.301 -9.054 1.00 0.00 H new ATOM 0 HG21 ILE A 47 12.734 -3.348 -9.036 1.00 0.00 H new ATOM 0 HG22 ILE A 47 12.003 -1.726 -9.071 1.00 0.00 H new ATOM 0 HG23 ILE A 47 12.670 -2.434 -10.561 1.00 0.00 H new ATOM 0 HD11 ILE A 47 16.074 -4.594 -9.874 1.00 0.00 H new ATOM 0 HD12 ILE A 47 14.998 -4.353 -8.477 1.00 0.00 H new ATOM 0 HD13 ILE A 47 14.324 -4.395 -10.123 1.00 0.00 H new ATOM 770 N ALA A 48 15.942 0.744 -8.334 1.00 0.00 N ATOM 771 CA ALA A 48 17.231 1.288 -7.910 1.00 0.00 C ATOM 772 C ALA A 48 17.272 1.419 -6.387 1.00 0.00 C ATOM 773 O ALA A 48 16.284 1.148 -5.706 1.00 0.00 O ATOM 774 CB ALA A 48 17.444 2.674 -8.546 1.00 0.00 C ATOM 0 H ALA A 48 15.237 0.773 -7.598 1.00 0.00 H new ATOM 0 HA ALA A 48 18.022 0.611 -8.233 1.00 0.00 H new ATOM 0 HB1 ALA A 48 18.406 3.076 -8.228 1.00 0.00 H new ATOM 0 HB2 ALA A 48 17.431 2.582 -9.632 1.00 0.00 H new ATOM 0 HB3 ALA A 48 16.647 3.346 -8.229 1.00 0.00 H new ATOM 780 N PHE A 49 18.399 1.898 -5.863 1.00 0.00 N ATOM 781 CA PHE A 49 18.570 2.307 -4.480 1.00 0.00 C ATOM 782 C PHE A 49 19.263 3.670 -4.489 1.00 0.00 C ATOM 783 O PHE A 49 19.992 3.989 -5.434 1.00 0.00 O ATOM 784 CB PHE A 49 19.414 1.301 -3.678 1.00 0.00 C ATOM 785 CG PHE A 49 18.899 -0.125 -3.586 1.00 0.00 C ATOM 786 CD1 PHE A 49 19.061 -1.012 -4.670 1.00 0.00 C ATOM 787 CD2 PHE A 49 18.327 -0.589 -2.385 1.00 0.00 C ATOM 788 CE1 PHE A 49 18.632 -2.347 -4.562 1.00 0.00 C ATOM 789 CE2 PHE A 49 17.921 -1.932 -2.270 1.00 0.00 C ATOM 790 CZ PHE A 49 18.067 -2.809 -3.359 1.00 0.00 C ATOM 0 H PHE A 49 19.248 2.014 -6.416 1.00 0.00 H new ATOM 0 HA PHE A 49 17.594 2.356 -3.997 1.00 0.00 H new ATOM 0 HB2 PHE A 49 20.411 1.272 -4.117 1.00 0.00 H new ATOM 0 HB3 PHE A 49 19.524 1.686 -2.664 1.00 0.00 H new ATOM 0 HD1 PHE A 49 19.516 -0.665 -5.586 1.00 0.00 H new ATOM 0 HD2 PHE A 49 18.200 0.086 -1.552 1.00 0.00 H new ATOM 0 HE1 PHE A 49 18.736 -3.017 -5.402 1.00 0.00 H new ATOM 0 HE2 PHE A 49 17.497 -2.289 -1.343 1.00 0.00 H new ATOM 0 HZ PHE A 49 17.746 -3.836 -3.272 1.00 0.00 H new ATOM 800 N VAL A 50 19.074 4.461 -3.436 1.00 0.00 N ATOM 801 CA VAL A 50 19.672 5.788 -3.274 1.00 0.00 C ATOM 802 C VAL A 50 20.152 5.886 -1.821 1.00 0.00 C ATOM 803 O VAL A 50 19.512 5.326 -0.933 1.00 0.00 O ATOM 804 CB VAL A 50 18.639 6.878 -3.652 1.00 0.00 C ATOM 805 CG1 VAL A 50 19.244 8.288 -3.599 1.00 0.00 C ATOM 806 CG2 VAL A 50 18.051 6.671 -5.058 1.00 0.00 C ATOM 0 H VAL A 50 18.485 4.191 -2.649 1.00 0.00 H new ATOM 0 HA VAL A 50 20.524 5.943 -3.936 1.00 0.00 H new ATOM 0 HB VAL A 50 17.846 6.785 -2.910 1.00 0.00 H new ATOM 0 HG11 VAL A 50 18.484 9.020 -3.871 1.00 0.00 H new ATOM 0 HG12 VAL A 50 19.601 8.493 -2.590 1.00 0.00 H new ATOM 0 HG13 VAL A 50 20.078 8.353 -4.298 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.333 7.463 -5.272 1.00 0.00 H new ATOM 0 HG22 VAL A 50 18.853 6.699 -5.796 1.00 0.00 H new ATOM 0 HG23 VAL A 50 17.550 5.704 -5.104 1.00 0.00 H new ATOM 816 N GLU A 51 21.261 6.581 -1.566 1.00 0.00 N ATOM 817 CA GLU A 51 21.933 6.656 -0.272 1.00 0.00 C ATOM 818 C GLU A 51 22.141 8.124 0.087 1.00 0.00 C ATOM 819 O GLU A 51 22.510 8.930 -0.780 1.00 0.00 O ATOM 820 CB GLU A 51 23.276 5.905 -0.358 1.00 0.00 C ATOM 821 CG GLU A 51 24.138 6.028 0.911 1.00 0.00 C ATOM 822 CD GLU A 51 25.404 5.156 0.821 1.00 0.00 C ATOM 823 OE1 GLU A 51 25.336 3.943 1.118 1.00 0.00 O ATOM 824 OE2 GLU A 51 26.484 5.683 0.475 1.00 0.00 O ATOM 0 H GLU A 51 21.733 7.128 -2.285 1.00 0.00 H new ATOM 0 HA GLU A 51 21.330 6.189 0.507 1.00 0.00 H new ATOM 0 HB2 GLU A 51 23.080 4.850 -0.552 1.00 0.00 H new ATOM 0 HB3 GLU A 51 23.841 6.286 -1.208 1.00 0.00 H new ATOM 0 HG2 GLU A 51 24.422 7.070 1.059 1.00 0.00 H new ATOM 0 HG3 GLU A 51 23.552 5.731 1.780 1.00 0.00 H new ATOM 831 N PHE A 52 21.924 8.443 1.367 1.00 0.00 N ATOM 832 CA PHE A 52 21.991 9.782 1.938 1.00 0.00 C ATOM 833 C PHE A 52 22.911 9.806 3.162 1.00 0.00 C ATOM 834 O PHE A 52 23.316 8.776 3.702 1.00 0.00 O ATOM 835 CB PHE A 52 20.574 10.247 2.321 1.00 0.00 C ATOM 836 CG PHE A 52 19.864 11.015 1.225 1.00 0.00 C ATOM 837 CD1 PHE A 52 19.536 10.394 0.007 1.00 0.00 C ATOM 838 CD2 PHE A 52 19.577 12.380 1.409 1.00 0.00 C ATOM 839 CE1 PHE A 52 18.985 11.150 -1.041 1.00 0.00 C ATOM 840 CE2 PHE A 52 19.008 13.132 0.370 1.00 0.00 C ATOM 841 CZ PHE A 52 18.737 12.520 -0.866 1.00 0.00 C ATOM 0 H PHE A 52 21.686 7.736 2.063 1.00 0.00 H new ATOM 0 HA PHE A 52 22.405 10.463 1.195 1.00 0.00 H new ATOM 0 HB2 PHE A 52 19.976 9.376 2.587 1.00 0.00 H new ATOM 0 HB3 PHE A 52 20.636 10.875 3.210 1.00 0.00 H new ATOM 0 HD1 PHE A 52 19.708 9.336 -0.123 1.00 0.00 H new ATOM 0 HD2 PHE A 52 19.796 12.852 2.356 1.00 0.00 H new ATOM 0 HE1 PHE A 52 18.752 10.676 -1.983 1.00 0.00 H new ATOM 0 HE2 PHE A 52 18.779 14.177 0.519 1.00 0.00 H new ATOM 0 HZ PHE A 52 18.338 13.105 -1.682 1.00 0.00 H new ATOM 851 N THR A 53 23.256 11.017 3.586 1.00 0.00 N ATOM 852 CA THR A 53 24.076 11.300 4.751 1.00 0.00 C ATOM 853 C THR A 53 23.313 10.944 6.025 1.00 0.00 C ATOM 854 O THR A 53 23.852 10.275 6.909 1.00 0.00 O ATOM 855 CB THR A 53 24.410 12.802 4.744 1.00 0.00 C ATOM 856 OG1 THR A 53 25.078 13.147 3.540 1.00 0.00 O ATOM 857 CG2 THR A 53 25.251 13.200 5.955 1.00 0.00 C ATOM 0 H THR A 53 22.956 11.864 3.103 1.00 0.00 H new ATOM 0 HA THR A 53 24.991 10.708 4.721 1.00 0.00 H new ATOM 0 HB THR A 53 23.472 13.353 4.803 1.00 0.00 H new ATOM 0 HG1 THR A 53 24.435 13.159 2.801 1.00 0.00 H new ATOM 0 HG21 THR A 53 25.466 14.268 5.914 1.00 0.00 H new ATOM 0 HG22 THR A 53 24.701 12.976 6.869 1.00 0.00 H new ATOM 0 HG23 THR A 53 26.187 12.641 5.948 1.00 0.00 H new ATOM 865 N THR A 54 22.057 11.377 6.102 1.00 0.00 N ATOM 866 CA THR A 54 21.261 11.335 7.307 1.00 0.00 C ATOM 867 C THR A 54 19.884 10.796 6.959 1.00 0.00 C ATOM 868 O THR A 54 19.292 11.144 5.936 1.00 0.00 O ATOM 869 CB THR A 54 21.208 12.739 7.954 1.00 0.00 C ATOM 870 OG1 THR A 54 21.530 13.788 7.046 1.00 0.00 O ATOM 871 CG2 THR A 54 22.200 12.825 9.114 1.00 0.00 C ATOM 0 H THR A 54 21.561 11.775 5.304 1.00 0.00 H new ATOM 0 HA THR A 54 21.707 10.669 8.045 1.00 0.00 H new ATOM 0 HB THR A 54 20.179 12.869 8.290 1.00 0.00 H new ATOM 0 HG1 THR A 54 21.266 14.649 7.434 1.00 0.00 H new ATOM 0 HG21 THR A 54 22.153 13.818 9.560 1.00 0.00 H new ATOM 0 HG22 THR A 54 21.947 12.077 9.865 1.00 0.00 H new ATOM 0 HG23 THR A 54 23.209 12.641 8.744 1.00 0.00 H new ATOM 879 N GLU A 55 19.394 9.927 7.838 1.00 0.00 N ATOM 880 CA GLU A 55 18.170 9.145 7.631 1.00 0.00 C ATOM 881 C GLU A 55 16.939 10.055 7.503 1.00 0.00 C ATOM 882 O GLU A 55 15.994 9.754 6.774 1.00 0.00 O ATOM 883 CB GLU A 55 17.990 8.110 8.760 1.00 0.00 C ATOM 884 CG GLU A 55 19.297 7.366 9.094 1.00 0.00 C ATOM 885 CD GLU A 55 19.089 5.927 9.589 1.00 0.00 C ATOM 886 OE1 GLU A 55 18.649 5.730 10.744 1.00 0.00 O ATOM 887 OE2 GLU A 55 19.425 4.991 8.822 1.00 0.00 O ATOM 0 H GLU A 55 19.843 9.740 8.734 1.00 0.00 H new ATOM 0 HA GLU A 55 18.270 8.604 6.690 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.624 8.613 9.655 1.00 0.00 H new ATOM 0 HB3 GLU A 55 17.229 7.387 8.467 1.00 0.00 H new ATOM 0 HG2 GLU A 55 19.928 7.346 8.206 1.00 0.00 H new ATOM 0 HG3 GLU A 55 19.837 7.927 9.857 1.00 0.00 H new ATOM 894 N LEU A 56 16.961 11.198 8.195 1.00 0.00 N ATOM 895 CA LEU A 56 15.911 12.209 8.102 1.00 0.00 C ATOM 896 C LEU A 56 15.918 12.877 6.725 1.00 0.00 C ATOM 897 O LEU A 56 14.853 13.266 6.241 1.00 0.00 O ATOM 898 CB LEU A 56 16.079 13.265 9.211 1.00 0.00 C ATOM 899 CG LEU A 56 15.361 12.907 10.529 1.00 0.00 C ATOM 900 CD1 LEU A 56 15.874 11.610 11.171 1.00 0.00 C ATOM 901 CD2 LEU A 56 15.524 14.057 11.529 1.00 0.00 C ATOM 0 H LEU A 56 17.713 11.446 8.838 1.00 0.00 H new ATOM 0 HA LEU A 56 14.950 11.713 8.236 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.142 13.400 9.413 1.00 0.00 H new ATOM 0 HB3 LEU A 56 15.699 14.221 8.850 1.00 0.00 H new ATOM 0 HG LEU A 56 14.312 12.748 10.278 1.00 0.00 H new ATOM 0 HD11 LEU A 56 15.326 11.419 12.093 1.00 0.00 H new ATOM 0 HD12 LEU A 56 15.725 10.779 10.482 1.00 0.00 H new ATOM 0 HD13 LEU A 56 16.936 11.710 11.394 1.00 0.00 H new ATOM 0 HD21 LEU A 56 15.017 13.804 12.460 1.00 0.00 H new ATOM 0 HD22 LEU A 56 16.584 14.221 11.726 1.00 0.00 H new ATOM 0 HD23 LEU A 56 15.088 14.965 11.113 1.00 0.00 H new ATOM 913 N GLN A 57 17.084 13.003 6.082 1.00 0.00 N ATOM 914 CA GLN A 57 17.185 13.644 4.778 1.00 0.00 C ATOM 915 C GLN A 57 16.783 12.684 3.658 1.00 0.00 C ATOM 916 O GLN A 57 16.124 13.138 2.722 1.00 0.00 O ATOM 917 CB GLN A 57 18.576 14.251 4.553 1.00 0.00 C ATOM 918 CG GLN A 57 18.868 15.369 5.565 1.00 0.00 C ATOM 919 CD GLN A 57 19.898 16.355 5.020 1.00 0.00 C ATOM 920 OE1 GLN A 57 19.541 17.390 4.466 1.00 0.00 O ATOM 921 NE2 GLN A 57 21.182 16.058 5.124 1.00 0.00 N ATOM 0 H GLN A 57 17.973 12.665 6.451 1.00 0.00 H new ATOM 0 HA GLN A 57 16.477 14.473 4.758 1.00 0.00 H new ATOM 0 HB2 GLN A 57 19.333 13.472 4.640 1.00 0.00 H new ATOM 0 HB3 GLN A 57 18.642 14.648 3.540 1.00 0.00 H new ATOM 0 HG2 GLN A 57 17.945 15.898 5.802 1.00 0.00 H new ATOM 0 HG3 GLN A 57 19.234 14.934 6.495 1.00 0.00 H new ATOM 0 HE21 GLN A 57 21.470 15.196 5.586 1.00 0.00 H new ATOM 0 HE22 GLN A 57 21.885 16.691 4.742 1.00 0.00 H new ATOM 930 N SER A 58 17.085 11.382 3.742 1.00 0.00 N ATOM 931 CA SER A 58 16.508 10.424 2.800 1.00 0.00 C ATOM 932 C SER A 58 14.985 10.432 2.944 1.00 0.00 C ATOM 933 O SER A 58 14.278 10.441 1.940 1.00 0.00 O ATOM 934 CB SER A 58 17.079 9.015 3.002 1.00 0.00 C ATOM 935 OG SER A 58 17.456 8.769 4.340 1.00 0.00 O ATOM 0 H SER A 58 17.712 10.977 4.438 1.00 0.00 H new ATOM 0 HA SER A 58 16.774 10.725 1.787 1.00 0.00 H new ATOM 0 HB2 SER A 58 16.336 8.279 2.696 1.00 0.00 H new ATOM 0 HB3 SER A 58 17.945 8.882 2.354 1.00 0.00 H new ATOM 0 HG SER A 58 17.167 7.870 4.601 1.00 0.00 H new ATOM 941 N ASN A 59 14.466 10.518 4.177 1.00 0.00 N ATOM 942 CA ASN A 59 13.042 10.732 4.426 1.00 0.00 C ATOM 943 C ASN A 59 12.515 11.974 3.706 1.00 0.00 C ATOM 944 O ASN A 59 11.499 11.892 3.021 1.00 0.00 O ATOM 945 CB ASN A 59 12.757 10.758 5.939 1.00 0.00 C ATOM 946 CG ASN A 59 11.614 11.695 6.324 1.00 0.00 C ATOM 947 OD1 ASN A 59 10.448 11.320 6.285 1.00 0.00 O ATOM 948 ND2 ASN A 59 11.934 12.922 6.706 1.00 0.00 N ATOM 0 H ASN A 59 15.025 10.441 5.026 1.00 0.00 H new ATOM 0 HA ASN A 59 12.493 9.890 4.005 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.518 9.749 6.274 1.00 0.00 H new ATOM 0 HB3 ASN A 59 13.661 11.063 6.466 1.00 0.00 H new ATOM 0 HD21 ASN A 59 11.202 13.579 6.976 1.00 0.00 H new ATOM 0 HD22 ASN A 59 12.912 13.210 6.730 1.00 0.00 H new ATOM 955 N ALA A 60 13.207 13.107 3.813 1.00 0.00 N ATOM 956 CA ALA A 60 12.764 14.339 3.166 1.00 0.00 C ATOM 957 C ALA A 60 12.741 14.183 1.644 1.00 0.00 C ATOM 958 O ALA A 60 11.781 14.594 0.994 1.00 0.00 O ATOM 959 CB ALA A 60 13.648 15.511 3.598 1.00 0.00 C ATOM 0 H ALA A 60 14.075 13.197 4.341 1.00 0.00 H new ATOM 0 HA ALA A 60 11.743 14.551 3.484 1.00 0.00 H new ATOM 0 HB1 ALA A 60 13.307 16.423 3.109 1.00 0.00 H new ATOM 0 HB2 ALA A 60 13.586 15.634 4.679 1.00 0.00 H new ATOM 0 HB3 ALA A 60 14.681 15.311 3.314 1.00 0.00 H new ATOM 965 N ALA A 61 13.768 13.552 1.075 1.00 0.00 N ATOM 966 CA ALA A 61 13.855 13.316 -0.359 1.00 0.00 C ATOM 967 C ALA A 61 12.768 12.344 -0.836 1.00 0.00 C ATOM 968 O ALA A 61 12.189 12.546 -1.903 1.00 0.00 O ATOM 969 CB ALA A 61 15.247 12.792 -0.702 1.00 0.00 C ATOM 0 H ALA A 61 14.564 13.190 1.601 1.00 0.00 H new ATOM 0 HA ALA A 61 13.689 14.259 -0.879 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.315 12.614 -1.775 1.00 0.00 H new ATOM 0 HB2 ALA A 61 15.995 13.528 -0.408 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.426 11.859 -0.168 1.00 0.00 H new ATOM 975 N LYS A 62 12.459 11.311 -0.044 1.00 0.00 N ATOM 976 CA LYS A 62 11.355 10.386 -0.294 1.00 0.00 C ATOM 977 C LYS A 62 10.056 11.180 -0.375 1.00 0.00 C ATOM 978 O LYS A 62 9.345 11.074 -1.373 1.00 0.00 O ATOM 979 CB LYS A 62 11.379 9.285 0.793 1.00 0.00 C ATOM 980 CG LYS A 62 10.218 8.274 0.846 1.00 0.00 C ATOM 981 CD LYS A 62 8.913 8.857 1.412 1.00 0.00 C ATOM 982 CE LYS A 62 7.969 7.759 1.914 1.00 0.00 C ATOM 983 NZ LYS A 62 6.615 8.298 2.176 1.00 0.00 N ATOM 0 H LYS A 62 12.981 11.093 0.804 1.00 0.00 H new ATOM 0 HA LYS A 62 11.450 9.871 -1.250 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.304 8.721 0.672 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.432 9.779 1.763 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.031 7.897 -0.159 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.518 7.421 1.455 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.145 9.539 2.230 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.412 9.442 0.641 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.909 6.961 1.174 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.371 7.319 2.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.085 7.631 2.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.694 9.213 2.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.113 8.430 1.275 1.00 0.00 H new ATOM 997 N GLU A 63 9.756 12.001 0.634 1.00 0.00 N ATOM 998 CA GLU A 63 8.530 12.797 0.658 1.00 0.00 C ATOM 999 C GLU A 63 8.468 13.733 -0.557 1.00 0.00 C ATOM 1000 O GLU A 63 7.397 13.933 -1.134 1.00 0.00 O ATOM 1001 CB GLU A 63 8.449 13.606 1.965 1.00 0.00 C ATOM 1002 CG GLU A 63 8.237 12.755 3.227 1.00 0.00 C ATOM 1003 CD GLU A 63 6.837 12.122 3.291 1.00 0.00 C ATOM 1004 OE1 GLU A 63 5.858 12.830 3.623 1.00 0.00 O ATOM 1005 OE2 GLU A 63 6.710 10.905 3.029 1.00 0.00 O ATOM 0 H GLU A 63 10.352 12.131 1.451 1.00 0.00 H new ATOM 0 HA GLU A 63 7.677 12.121 0.611 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.368 14.181 2.080 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.632 14.323 1.884 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.989 11.967 3.258 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.390 13.377 4.109 1.00 0.00 H new ATOM 1012 N ALA A 64 9.614 14.288 -0.954 1.00 0.00 N ATOM 1013 CA ALA A 64 9.720 15.253 -2.037 1.00 0.00 C ATOM 1014 C ALA A 64 9.512 14.631 -3.424 1.00 0.00 C ATOM 1015 O ALA A 64 8.899 15.276 -4.276 1.00 0.00 O ATOM 1016 CB ALA A 64 11.101 15.907 -1.982 1.00 0.00 C ATOM 0 H ALA A 64 10.511 14.071 -0.519 1.00 0.00 H new ATOM 0 HA ALA A 64 8.926 15.986 -1.896 1.00 0.00 H new ATOM 0 HB1 ALA A 64 11.192 16.633 -2.790 1.00 0.00 H new ATOM 0 HB2 ALA A 64 11.226 16.412 -1.024 1.00 0.00 H new ATOM 0 HB3 ALA A 64 11.870 15.143 -2.093 1.00 0.00 H new ATOM 1022 N LEU A 65 10.015 13.412 -3.666 1.00 0.00 N ATOM 1023 CA LEU A 65 10.067 12.826 -5.011 1.00 0.00 C ATOM 1024 C LEU A 65 9.172 11.601 -5.188 1.00 0.00 C ATOM 1025 O LEU A 65 9.092 11.095 -6.307 1.00 0.00 O ATOM 1026 CB LEU A 65 11.519 12.508 -5.429 1.00 0.00 C ATOM 1027 CG LEU A 65 12.447 13.721 -5.627 1.00 0.00 C ATOM 1028 CD1 LEU A 65 13.809 13.242 -6.147 1.00 0.00 C ATOM 1029 CD2 LEU A 65 11.899 14.760 -6.615 1.00 0.00 C ATOM 0 H LEU A 65 10.395 12.808 -2.938 1.00 0.00 H new ATOM 0 HA LEU A 65 9.666 13.591 -5.676 1.00 0.00 H new ATOM 0 HB2 LEU A 65 11.960 11.859 -4.673 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.492 11.941 -6.359 1.00 0.00 H new ATOM 0 HG LEU A 65 12.529 14.203 -4.653 1.00 0.00 H new ATOM 0 HD11 LEU A 65 14.467 14.100 -6.288 1.00 0.00 H new ATOM 0 HD12 LEU A 65 14.254 12.558 -5.425 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.675 12.728 -7.099 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.605 15.585 -6.704 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.759 14.295 -7.591 1.00 0.00 H new ATOM 0 HD23 LEU A 65 10.943 15.138 -6.252 1.00 0.00 H new ATOM 1041 N GLN A 66 8.470 11.118 -4.154 1.00 0.00 N ATOM 1042 CA GLN A 66 7.446 10.097 -4.382 1.00 0.00 C ATOM 1043 C GLN A 66 6.447 10.613 -5.429 1.00 0.00 C ATOM 1044 O GLN A 66 5.893 11.707 -5.291 1.00 0.00 O ATOM 1045 CB GLN A 66 6.709 9.703 -3.090 1.00 0.00 C ATOM 1046 CG GLN A 66 7.371 8.517 -2.372 1.00 0.00 C ATOM 1047 CD GLN A 66 6.502 7.979 -1.234 1.00 0.00 C ATOM 1048 OE1 GLN A 66 5.827 8.719 -0.523 1.00 0.00 O ATOM 1049 NE2 GLN A 66 6.499 6.676 -1.002 1.00 0.00 N ATOM 0 H GLN A 66 8.588 11.407 -3.183 1.00 0.00 H new ATOM 0 HA GLN A 66 7.943 9.198 -4.745 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.679 10.560 -2.417 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.676 9.449 -3.328 1.00 0.00 H new ATOM 0 HG2 GLN A 66 7.563 7.720 -3.090 1.00 0.00 H new ATOM 0 HG3 GLN A 66 8.337 8.827 -1.975 1.00 0.00 H new ATOM 0 HE21 GLN A 66 7.056 6.053 -1.586 1.00 0.00 H new ATOM 0 HE22 GLN A 66 5.940 6.295 -0.239 1.00 0.00 H new ATOM 1058 N GLY A 67 6.229 9.815 -6.474 1.00 0.00 N ATOM 1059 CA GLY A 67 5.312 10.111 -7.566 1.00 0.00 C ATOM 1060 C GLY A 67 5.922 10.983 -8.671 1.00 0.00 C ATOM 1061 O GLY A 67 5.219 11.304 -9.629 1.00 0.00 O ATOM 0 H GLY A 67 6.702 8.918 -6.584 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.970 9.173 -8.004 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.433 10.614 -7.163 1.00 0.00 H new ATOM 1065 N PHE A 68 7.194 11.385 -8.567 1.00 0.00 N ATOM 1066 CA PHE A 68 7.842 12.259 -9.538 1.00 0.00 C ATOM 1067 C PHE A 68 7.992 11.523 -10.867 1.00 0.00 C ATOM 1068 O PHE A 68 8.621 10.467 -10.917 1.00 0.00 O ATOM 1069 CB PHE A 68 9.208 12.699 -8.990 1.00 0.00 C ATOM 1070 CG PHE A 68 9.996 13.606 -9.913 1.00 0.00 C ATOM 1071 CD1 PHE A 68 9.808 15.001 -9.862 1.00 0.00 C ATOM 1072 CD2 PHE A 68 10.927 13.059 -10.817 1.00 0.00 C ATOM 1073 CE1 PHE A 68 10.547 15.843 -10.711 1.00 0.00 C ATOM 1074 CE2 PHE A 68 11.659 13.902 -11.670 1.00 0.00 C ATOM 1075 CZ PHE A 68 11.472 15.294 -11.617 1.00 0.00 C ATOM 0 H PHE A 68 7.804 11.107 -7.798 1.00 0.00 H new ATOM 0 HA PHE A 68 7.235 13.148 -9.708 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.056 13.213 -8.041 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.804 11.811 -8.780 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.095 15.424 -9.170 1.00 0.00 H new ATOM 0 HD2 PHE A 68 11.078 11.990 -10.855 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.404 16.913 -10.668 1.00 0.00 H new ATOM 0 HE2 PHE A 68 12.367 13.480 -12.368 1.00 0.00 H new ATOM 0 HZ PHE A 68 12.038 15.941 -12.271 1.00 0.00 H new ATOM 1085 N LYS A 69 7.432 12.065 -11.951 1.00 0.00 N ATOM 1086 CA LYS A 69 7.656 11.529 -13.294 1.00 0.00 C ATOM 1087 C LYS A 69 9.130 11.696 -13.641 1.00 0.00 C ATOM 1088 O LYS A 69 9.579 12.815 -13.893 1.00 0.00 O ATOM 1089 CB LYS A 69 6.782 12.226 -14.360 1.00 0.00 C ATOM 1090 CG LYS A 69 5.566 11.393 -14.781 1.00 0.00 C ATOM 1091 CD LYS A 69 4.504 11.225 -13.689 1.00 0.00 C ATOM 1092 CE LYS A 69 3.482 10.149 -14.085 1.00 0.00 C ATOM 1093 NZ LYS A 69 2.582 10.561 -15.192 1.00 0.00 N ATOM 0 H LYS A 69 6.817 12.879 -11.923 1.00 0.00 H new ATOM 0 HA LYS A 69 7.374 10.476 -13.294 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.440 13.185 -13.970 1.00 0.00 H new ATOM 0 HB3 LYS A 69 7.391 12.438 -15.239 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.104 11.861 -15.651 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.908 10.406 -15.093 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.982 10.950 -12.749 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.994 12.174 -13.522 1.00 0.00 H new ATOM 0 HE2 LYS A 69 4.015 9.245 -14.379 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.879 9.895 -13.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.730 9.965 -15.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.309 11.557 -15.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.076 10.450 -16.101 1.00 0.00 H new ATOM 1107 N ILE A 70 9.872 10.590 -13.673 1.00 0.00 N ATOM 1108 CA ILE A 70 11.229 10.594 -14.211 1.00 0.00 C ATOM 1109 C ILE A 70 11.059 10.829 -15.722 1.00 0.00 C ATOM 1110 O ILE A 70 11.724 11.695 -16.293 1.00 0.00 O ATOM 1111 CB ILE A 70 11.958 9.289 -13.849 1.00 0.00 C ATOM 1112 CG1 ILE A 70 12.089 9.155 -12.318 1.00 0.00 C ATOM 1113 CG2 ILE A 70 13.356 9.283 -14.482 1.00 0.00 C ATOM 1114 CD1 ILE A 70 12.474 7.745 -11.870 1.00 0.00 C ATOM 0 H ILE A 70 9.556 9.682 -13.333 1.00 0.00 H new ATOM 0 HA ILE A 70 11.862 11.375 -13.788 1.00 0.00 H new ATOM 0 HB ILE A 70 11.379 8.448 -14.231 1.00 0.00 H new ATOM 0 HG12 ILE A 70 12.839 9.861 -11.960 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.143 9.432 -11.853 1.00 0.00 H new ATOM 0 HG21 ILE A 70 13.869 8.357 -14.223 1.00 0.00 H new ATOM 0 HG22 ILE A 70 13.265 9.357 -15.566 1.00 0.00 H new ATOM 0 HG23 ILE A 70 13.929 10.132 -14.108 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.550 7.717 -10.783 1.00 0.00 H new ATOM 0 HD12 ILE A 70 11.712 7.038 -12.199 1.00 0.00 H new ATOM 0 HD13 ILE A 70 13.434 7.474 -12.308 1.00 0.00 H new ATOM 1126 N THR A 71 10.108 10.122 -16.341 1.00 0.00 N ATOM 1127 CA THR A 71 9.620 10.359 -17.694 1.00 0.00 C ATOM 1128 C THR A 71 8.091 10.241 -17.623 1.00 0.00 C ATOM 1129 O THR A 71 7.598 9.712 -16.622 1.00 0.00 O ATOM 1130 CB THR A 71 10.271 9.401 -18.708 1.00 0.00 C ATOM 1131 OG1 THR A 71 10.188 8.054 -18.295 1.00 0.00 O ATOM 1132 CG2 THR A 71 11.748 9.729 -18.941 1.00 0.00 C ATOM 0 H THR A 71 9.640 9.336 -15.889 1.00 0.00 H new ATOM 0 HA THR A 71 9.894 11.350 -18.057 1.00 0.00 H new ATOM 0 HB THR A 71 9.711 9.537 -19.633 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.611 7.479 -18.967 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.167 9.028 -19.663 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.839 10.745 -19.326 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.292 9.648 -18.000 1.00 0.00 H new ATOM 1140 N PRO A 72 7.323 10.728 -18.621 1.00 0.00 N ATOM 1141 CA PRO A 72 5.864 10.869 -18.561 1.00 0.00 C ATOM 1142 C PRO A 72 5.038 9.686 -18.039 1.00 0.00 C ATOM 1143 O PRO A 72 3.913 9.915 -17.587 1.00 0.00 O ATOM 1144 CB PRO A 72 5.430 11.255 -19.976 1.00 0.00 C ATOM 1145 CG PRO A 72 6.617 12.073 -20.471 1.00 0.00 C ATOM 1146 CD PRO A 72 7.808 11.343 -19.854 1.00 0.00 C ATOM 0 HA PRO A 72 5.654 11.619 -17.798 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.252 10.379 -20.600 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.508 11.837 -19.974 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.672 12.089 -21.560 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.561 13.110 -20.139 1.00 0.00 H new ATOM 0 HD2 PRO A 72 8.197 10.588 -20.537 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.623 12.036 -19.647 1.00 0.00 H new ATOM 1154 N THR A 73 5.563 8.460 -18.044 1.00 0.00 N ATOM 1155 CA THR A 73 4.823 7.251 -17.684 1.00 0.00 C ATOM 1156 C THR A 73 5.524 6.484 -16.546 1.00 0.00 C ATOM 1157 O THR A 73 5.188 5.331 -16.272 1.00 0.00 O ATOM 1158 CB THR A 73 4.587 6.397 -18.957 1.00 0.00 C ATOM 1159 OG1 THR A 73 4.481 7.204 -20.125 1.00 0.00 O ATOM 1160 CG2 THR A 73 3.297 5.568 -18.874 1.00 0.00 C ATOM 0 H THR A 73 6.532 8.277 -18.303 1.00 0.00 H new ATOM 0 HA THR A 73 3.844 7.519 -17.286 1.00 0.00 H new ATOM 0 HB THR A 73 5.454 5.740 -19.019 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.335 6.631 -20.906 1.00 0.00 H new ATOM 0 HG21 THR A 73 3.178 4.988 -19.789 1.00 0.00 H new ATOM 0 HG22 THR A 73 3.353 4.892 -18.021 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.443 6.235 -18.753 1.00 0.00 H new ATOM 1168 N HIS A 74 6.481 7.116 -15.852 1.00 0.00 N ATOM 1169 CA HIS A 74 7.313 6.480 -14.838 1.00 0.00 C ATOM 1170 C HIS A 74 7.378 7.384 -13.614 1.00 0.00 C ATOM 1171 O HIS A 74 8.376 8.066 -13.366 1.00 0.00 O ATOM 1172 CB HIS A 74 8.686 6.128 -15.414 1.00 0.00 C ATOM 1173 CG HIS A 74 8.588 5.208 -16.604 1.00 0.00 C ATOM 1174 ND1 HIS A 74 8.767 5.572 -17.916 1.00 0.00 N ATOM 1175 CD2 HIS A 74 8.262 3.878 -16.593 1.00 0.00 C ATOM 1176 CE1 HIS A 74 8.564 4.487 -18.683 1.00 0.00 C ATOM 1177 NE2 HIS A 74 8.253 3.422 -17.919 1.00 0.00 N ATOM 0 H HIS A 74 6.697 8.104 -15.988 1.00 0.00 H new ATOM 0 HA HIS A 74 6.876 5.533 -14.520 1.00 0.00 H new ATOM 0 HB2 HIS A 74 9.200 7.043 -15.707 1.00 0.00 H new ATOM 0 HB3 HIS A 74 9.292 5.655 -14.641 1.00 0.00 H new ATOM 0 HD1 HIS A 74 9.012 6.504 -18.250 1.00 0.00 H new ATOM 0 HD2 HIS A 74 8.049 3.284 -15.716 1.00 0.00 H new ATOM 0 HE1 HIS A 74 8.640 4.471 -19.760 1.00 0.00 H new ATOM 1185 N ALA A 75 6.260 7.429 -12.887 1.00 0.00 N ATOM 1186 CA ALA A 75 6.184 8.052 -11.578 1.00 0.00 C ATOM 1187 C ALA A 75 7.040 7.230 -10.612 1.00 0.00 C ATOM 1188 O ALA A 75 6.664 6.113 -10.250 1.00 0.00 O ATOM 1189 CB ALA A 75 4.726 8.113 -11.108 1.00 0.00 C ATOM 0 H ALA A 75 5.376 7.028 -13.200 1.00 0.00 H new ATOM 0 HA ALA A 75 6.559 9.075 -11.618 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.680 8.582 -10.125 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.139 8.697 -11.817 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.321 7.103 -11.047 1.00 0.00 H new ATOM 1195 N MET A 76 8.187 7.782 -10.224 1.00 0.00 N ATOM 1196 CA MET A 76 9.112 7.244 -9.240 1.00 0.00 C ATOM 1197 C MET A 76 8.375 6.782 -7.984 1.00 0.00 C ATOM 1198 O MET A 76 7.851 7.611 -7.235 1.00 0.00 O ATOM 1199 CB MET A 76 10.112 8.361 -8.904 1.00 0.00 C ATOM 1200 CG MET A 76 11.227 7.915 -7.961 1.00 0.00 C ATOM 1201 SD MET A 76 12.281 9.266 -7.366 1.00 0.00 S ATOM 1202 CE MET A 76 12.988 9.920 -8.900 1.00 0.00 C ATOM 0 H MET A 76 8.511 8.668 -10.613 1.00 0.00 H new ATOM 0 HA MET A 76 9.626 6.370 -9.640 1.00 0.00 H new ATOM 0 HB2 MET A 76 10.555 8.732 -9.828 1.00 0.00 H new ATOM 0 HB3 MET A 76 9.575 9.195 -8.451 1.00 0.00 H new ATOM 0 HG2 MET A 76 10.782 7.411 -7.103 1.00 0.00 H new ATOM 0 HG3 MET A 76 11.850 7.182 -8.474 1.00 0.00 H new ATOM 0 HE1 MET A 76 13.638 10.764 -8.670 1.00 0.00 H new ATOM 0 HE2 MET A 76 13.567 9.140 -9.395 1.00 0.00 H new ATOM 0 HE3 MET A 76 12.185 10.250 -9.559 1.00 0.00 H new ATOM 1212 N LYS A 77 8.333 5.473 -7.731 1.00 0.00 N ATOM 1213 CA LYS A 77 7.862 4.953 -6.460 1.00 0.00 C ATOM 1214 C LYS A 77 9.106 4.855 -5.580 1.00 0.00 C ATOM 1215 O LYS A 77 10.182 4.489 -6.059 1.00 0.00 O ATOM 1216 CB LYS A 77 7.157 3.603 -6.673 1.00 0.00 C ATOM 1217 CG LYS A 77 6.355 3.226 -5.420 1.00 0.00 C ATOM 1218 CD LYS A 77 5.519 1.945 -5.563 1.00 0.00 C ATOM 1219 CE LYS A 77 6.421 0.707 -5.625 1.00 0.00 C ATOM 1220 NZ LYS A 77 5.673 -0.571 -5.533 1.00 0.00 N ATOM 0 H LYS A 77 8.622 4.756 -8.397 1.00 0.00 H new ATOM 0 HA LYS A 77 7.118 5.591 -5.982 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.493 3.662 -7.536 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.893 2.829 -6.890 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.045 3.104 -4.585 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.691 4.052 -5.166 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.833 1.858 -4.721 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.910 2.002 -6.465 1.00 0.00 H new ATOM 0 HE2 LYS A 77 6.985 0.723 -6.558 1.00 0.00 H new ATOM 0 HE3 LYS A 77 7.147 0.754 -4.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 6.340 -1.368 -5.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.156 -0.606 -4.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.999 -0.636 -6.322 1.00 0.00 H new ATOM 1234 N ILE A 78 8.969 5.190 -4.302 1.00 0.00 N ATOM 1235 CA ILE A 78 10.065 5.211 -3.343 1.00 0.00 C ATOM 1236 C ILE A 78 9.542 4.493 -2.107 1.00 0.00 C ATOM 1237 O ILE A 78 8.377 4.662 -1.738 1.00 0.00 O ATOM 1238 CB ILE A 78 10.501 6.659 -2.995 1.00 0.00 C ATOM 1239 CG1 ILE A 78 10.675 7.561 -4.238 1.00 0.00 C ATOM 1240 CG2 ILE A 78 11.782 6.664 -2.139 1.00 0.00 C ATOM 1241 CD1 ILE A 78 11.076 9.003 -3.914 1.00 0.00 C ATOM 0 H ILE A 78 8.073 5.460 -3.896 1.00 0.00 H new ATOM 0 HA ILE A 78 10.950 4.725 -3.753 1.00 0.00 H new ATOM 0 HB ILE A 78 9.684 7.086 -2.413 1.00 0.00 H new ATOM 0 HG12 ILE A 78 11.432 7.122 -4.889 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.740 7.573 -4.799 1.00 0.00 H new ATOM 0 HG21 ILE A 78 12.063 7.692 -1.911 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.601 6.123 -1.210 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.589 6.181 -2.689 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.178 9.569 -4.840 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.309 9.462 -3.290 1.00 0.00 H new ATOM 0 HD13 ILE A 78 12.027 9.005 -3.381 1.00 0.00 H new ATOM 1253 N THR A 79 10.427 3.761 -1.451 1.00 0.00 N ATOM 1254 CA THR A 79 10.227 3.099 -0.179 1.00 0.00 C ATOM 1255 C THR A 79 11.537 3.248 0.598 1.00 0.00 C ATOM 1256 O THR A 79 12.598 3.483 0.010 1.00 0.00 O ATOM 1257 CB THR A 79 9.845 1.621 -0.408 1.00 0.00 C ATOM 1258 OG1 THR A 79 10.365 1.099 -1.624 1.00 0.00 O ATOM 1259 CG2 THR A 79 8.326 1.444 -0.474 1.00 0.00 C ATOM 0 H THR A 79 11.365 3.605 -1.820 1.00 0.00 H new ATOM 0 HA THR A 79 9.409 3.540 0.390 1.00 0.00 H new ATOM 0 HB THR A 79 10.273 1.085 0.439 1.00 0.00 H new ATOM 0 HG1 THR A 79 11.199 1.562 -1.849 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.089 0.393 -0.636 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.880 1.776 0.463 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.926 2.037 -1.296 1.00 0.00 H new ATOM 1267 N PHE A 80 11.490 3.128 1.921 1.00 0.00 N ATOM 1268 CA PHE A 80 12.714 3.094 2.705 1.00 0.00 C ATOM 1269 C PHE A 80 13.345 1.714 2.543 1.00 0.00 C ATOM 1270 O PHE A 80 12.638 0.702 2.562 1.00 0.00 O ATOM 1271 CB PHE A 80 12.392 3.380 4.171 1.00 0.00 C ATOM 1272 CG PHE A 80 11.988 4.819 4.425 1.00 0.00 C ATOM 1273 CD1 PHE A 80 12.972 5.816 4.572 1.00 0.00 C ATOM 1274 CD2 PHE A 80 10.627 5.172 4.482 1.00 0.00 C ATOM 1275 CE1 PHE A 80 12.595 7.153 4.782 1.00 0.00 C ATOM 1276 CE2 PHE A 80 10.250 6.505 4.714 1.00 0.00 C ATOM 1277 CZ PHE A 80 11.233 7.497 4.861 1.00 0.00 C ATOM 0 H PHE A 80 10.630 3.054 2.464 1.00 0.00 H new ATOM 0 HA PHE A 80 13.415 3.855 2.361 1.00 0.00 H new ATOM 0 HB2 PHE A 80 11.586 2.721 4.494 1.00 0.00 H new ATOM 0 HB3 PHE A 80 13.263 3.141 4.781 1.00 0.00 H new ATOM 0 HD1 PHE A 80 14.018 5.552 4.523 1.00 0.00 H new ATOM 0 HD2 PHE A 80 9.869 4.415 4.347 1.00 0.00 H new ATOM 0 HE1 PHE A 80 13.351 7.917 4.883 1.00 0.00 H new ATOM 0 HE2 PHE A 80 9.204 6.767 4.779 1.00 0.00 H new ATOM 0 HZ PHE A 80 10.944 8.523 5.035 1.00 0.00 H new ATOM 1287 N ALA A 81 14.668 1.670 2.365 1.00 0.00 N ATOM 1288 CA ALA A 81 15.391 0.409 2.445 1.00 0.00 C ATOM 1289 C ALA A 81 15.458 0.014 3.931 1.00 0.00 C ATOM 1290 O ALA A 81 15.008 0.758 4.808 1.00 0.00 O ATOM 1291 CB ALA A 81 16.780 0.539 1.805 1.00 0.00 C ATOM 0 H ALA A 81 15.249 2.484 2.167 1.00 0.00 H new ATOM 0 HA ALA A 81 14.880 -0.376 1.887 1.00 0.00 H new ATOM 0 HB1 ALA A 81 17.304 -0.414 1.875 1.00 0.00 H new ATOM 0 HB2 ALA A 81 16.673 0.818 0.757 1.00 0.00 H new ATOM 0 HB3 ALA A 81 17.351 1.306 2.328 1.00 0.00 H new