USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 546 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 398 GLN : amide:sc= -1.2 X(o=-0.89,f=-0.54) USER MOD Set 1.2: A 452 SER OG : rot -100:sc= 0.315 USER MOD Single : A 399 LYS NZ :NH3+ 157:sc= -0.186 (180deg=-0.752) USER MOD Single : A 406 ASN : amide:sc= 0.361 X(o=0.36,f=0.03) USER MOD Single : A 410 TYR OH : rot 180:sc= 0 USER MOD Single : A 411 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 414 GLN : amide:sc= -1.65 K(o=-1.7,f=-2.6) USER MOD Single : A 419 GLN : amide:sc= -0.422 X(o=-0.42,f=-0.049) USER MOD Single : A 423 GLN : amide:sc= 0.0311 X(o=0.031,f=0) USER MOD Single : A 424 MET CE :methyl 154:sc= -0.208 (180deg=-0.993) USER MOD Single : A 426 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 430 ASN : amide:sc= 0.00914 K(o=0.0091,f=-2.2!) USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD Single : A 435 LYS NZ :NH3+ -176:sc=-0.00742 (180deg=-0.038) USER MOD Single : A 453 TYR OH : rot 1:sc= 0.479 USER MOD Single : A 455 ASN : amide:sc= -1.65! K(o=-1.6!,f=-0.025) USER MOD Single : A 458 SER OG : rot 180:sc= 0 USER MOD Single : A 460 GLN : amide:sc= -0.25 K(o=-0.25,f=-2.1!) USER MOD Single : A 464 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 466 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 467 ASN : amide:sc= 0.485 K(o=0.48,f=-0.088) USER MOD Single : A 470 GLN : amide:sc= -0.0511 K(o=-0.051,f=-1.9!) USER MOD Single : A 473 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 474 LYS NZ :NH3+ 166:sc= 0.0939 (180deg=-0.135) USER MOD Single : A 477 LYS NZ :NH3+ -174:sc= 0.203 (180deg=0.19) USER MOD Single : A 479 GLN : amide:sc= -1.08 X(o=-1.1,f=-0.88) USER MOD ----------------------------------------------------------------- ATOM 56 N GLN A 398 1.129 7.015 7.624 1.00 44.11 N ATOM 57 CA GLN A 398 0.308 7.769 6.652 1.00 43.11 C ATOM 58 C GLN A 398 -0.285 9.070 7.273 1.00 33.53 C ATOM 59 O GLN A 398 -1.159 9.028 8.143 1.00 43.30 O ATOM 60 CB GLN A 398 -0.740 6.817 5.942 1.00 65.32 C ATOM 61 CG GLN A 398 -1.956 7.471 5.205 1.00 11.03 C ATOM 62 CD GLN A 398 -1.581 8.379 4.019 1.00 3.23 C ATOM 63 OE1 GLN A 398 -1.326 9.564 4.203 1.00 74.51 O ATOM 64 NE2 GLN A 398 -1.592 7.850 2.791 1.00 65.21 N ATOM 0 HA GLN A 398 0.951 8.134 5.851 1.00 43.11 H new ATOM 0 HB2 GLN A 398 -0.199 6.209 5.216 1.00 65.32 H new ATOM 0 HB3 GLN A 398 -1.135 6.136 6.696 1.00 65.32 H new ATOM 0 HG2 GLN A 398 -2.613 6.679 4.845 1.00 11.03 H new ATOM 0 HG3 GLN A 398 -2.528 8.056 5.926 1.00 11.03 H new ATOM 0 HE21 GLN A 398 -1.807 6.861 2.664 1.00 65.21 H new ATOM 0 HE22 GLN A 398 -1.385 8.435 1.982 1.00 65.21 H new ATOM 73 N LYS A 399 0.293 10.217 6.836 1.00 61.33 N ATOM 74 CA LYS A 399 -0.052 11.561 7.238 1.00 52.30 C ATOM 75 C LYS A 399 0.290 12.509 6.068 1.00 55.35 C ATOM 76 O LYS A 399 1.439 12.886 5.862 1.00 14.51 O ATOM 77 CB LYS A 399 0.602 11.978 8.604 1.00 45.13 C ATOM 78 CG LYS A 399 2.160 11.981 8.780 1.00 12.02 C ATOM 79 CD LYS A 399 2.892 10.700 8.334 1.00 31.23 C ATOM 80 CE LYS A 399 4.372 10.706 8.744 1.00 42.14 C ATOM 81 NZ LYS A 399 4.498 10.898 10.217 1.00 51.42 N ATOM 0 H LYS A 399 1.053 10.204 6.156 1.00 61.33 H new ATOM 0 HA LYS A 399 -1.121 11.623 7.441 1.00 52.30 H new ATOM 0 HB2 LYS A 399 0.252 12.985 8.833 1.00 45.13 H new ATOM 0 HB3 LYS A 399 0.194 11.317 9.369 1.00 45.13 H new ATOM 0 HG2 LYS A 399 2.568 12.823 8.220 1.00 12.02 H new ATOM 0 HG3 LYS A 399 2.387 12.158 9.831 1.00 12.02 H new ATOM 0 HD2 LYS A 399 2.399 9.831 8.770 1.00 31.23 H new ATOM 0 HD3 LYS A 399 2.817 10.599 7.251 1.00 31.23 H new ATOM 0 HE2 LYS A 399 4.842 9.767 8.451 1.00 42.14 H new ATOM 0 HE3 LYS A 399 4.899 11.503 8.220 1.00 42.14 H new ATOM 0 HZ1 LYS A 399 5.414 10.524 10.539 1.00 51.42 H new ATOM 0 HZ2 LYS A 399 4.440 11.912 10.441 1.00 51.42 H new ATOM 0 HZ3 LYS A 399 3.728 10.392 10.700 1.00 51.42 H new ATOM 95 N GLU A 400 -0.732 12.788 5.244 1.00 42.13 N ATOM 96 CA GLU A 400 -0.591 13.667 4.040 1.00 41.23 C ATOM 97 C GLU A 400 -0.273 15.148 4.384 1.00 20.23 C ATOM 98 O GLU A 400 -0.434 15.587 5.532 1.00 43.14 O ATOM 99 CB GLU A 400 -1.801 13.607 3.054 1.00 3.55 C ATOM 100 CG GLU A 400 -2.977 14.519 3.312 1.00 21.20 C ATOM 101 CD GLU A 400 -3.104 15.614 2.277 1.00 4.33 C ATOM 102 OE1 GLU A 400 -3.638 15.346 1.189 1.00 35.41 O ATOM 103 OE2 GLU A 400 -2.686 16.742 2.566 1.00 72.40 O ATOM 0 H GLU A 400 -1.675 12.423 5.378 1.00 42.13 H new ATOM 0 HA GLU A 400 0.272 13.241 3.528 1.00 41.23 H new ATOM 0 HB2 GLU A 400 -1.426 13.822 2.053 1.00 3.55 H new ATOM 0 HB3 GLU A 400 -2.171 12.582 3.043 1.00 3.55 H new ATOM 0 HG2 GLU A 400 -3.893 13.929 3.325 1.00 21.20 H new ATOM 0 HG3 GLU A 400 -2.873 14.968 4.300 1.00 21.20 H new ATOM 110 N GLY A 401 0.160 15.917 3.361 1.00 31.22 N ATOM 111 CA GLY A 401 0.740 17.240 3.613 1.00 23.01 C ATOM 112 C GLY A 401 -0.148 18.421 3.204 1.00 10.34 C ATOM 113 O GLY A 401 -0.892 18.887 4.057 1.00 43.32 O ATOM 0 H GLY A 401 0.118 15.647 2.378 1.00 31.22 H new ATOM 0 HA2 GLY A 401 0.967 17.325 4.676 1.00 23.01 H new ATOM 0 HA3 GLY A 401 1.687 17.314 3.078 1.00 23.01 H new ATOM 117 N PRO A 402 -0.070 19.002 1.957 1.00 42.32 N ATOM 118 CA PRO A 402 -0.973 20.095 1.553 1.00 64.45 C ATOM 119 C PRO A 402 -2.211 19.634 0.749 1.00 15.52 C ATOM 120 O PRO A 402 -2.266 18.496 0.271 1.00 20.12 O ATOM 121 CB PRO A 402 -0.010 20.928 0.692 1.00 31.21 C ATOM 122 CG PRO A 402 0.650 19.887 -0.115 1.00 72.25 C ATOM 123 CD PRO A 402 0.938 18.756 0.874 1.00 44.32 C ATOM 0 HA PRO A 402 -1.431 20.615 2.395 1.00 64.45 H new ATOM 0 HB2 PRO A 402 -0.538 21.652 0.072 1.00 31.21 H new ATOM 0 HB3 PRO A 402 0.702 21.487 1.299 1.00 31.21 H new ATOM 0 HG2 PRO A 402 0.007 19.549 -0.928 1.00 72.25 H new ATOM 0 HG3 PRO A 402 1.568 20.260 -0.569 1.00 72.25 H new ATOM 0 HD2 PRO A 402 0.810 17.775 0.416 1.00 44.32 H new ATOM 0 HD3 PRO A 402 1.959 18.800 1.253 1.00 44.32 H new ATOM 131 N GLU A 403 -3.210 20.535 0.630 1.00 72.33 N ATOM 132 CA GLU A 403 -4.329 20.369 -0.288 1.00 61.13 C ATOM 133 C GLU A 403 -3.753 20.242 -1.734 1.00 10.24 C ATOM 134 O GLU A 403 -3.044 21.127 -2.235 1.00 10.35 O ATOM 135 CB GLU A 403 -5.325 21.568 -0.057 1.00 4.31 C ATOM 136 CG GLU A 403 -5.202 22.813 -0.961 1.00 21.35 C ATOM 137 CD GLU A 403 -6.428 23.025 -1.824 1.00 62.13 C ATOM 138 OE1 GLU A 403 -6.653 22.224 -2.748 1.00 31.24 O ATOM 139 OE2 GLU A 403 -7.170 24.000 -1.565 1.00 14.10 O ATOM 0 H GLU A 403 -3.252 21.396 1.175 1.00 72.33 H new ATOM 0 HA GLU A 403 -4.907 19.461 -0.117 1.00 61.13 H new ATOM 0 HB2 GLU A 403 -6.339 21.181 -0.162 1.00 4.31 H new ATOM 0 HB3 GLU A 403 -5.214 21.897 0.976 1.00 4.31 H new ATOM 0 HG2 GLU A 403 -5.041 23.695 -0.340 1.00 21.35 H new ATOM 0 HG3 GLU A 403 -4.325 22.709 -1.600 1.00 21.35 H new ATOM 146 N GLY A 404 -3.943 19.064 -2.322 1.00 21.30 N ATOM 147 CA GLY A 404 -3.372 18.765 -3.601 1.00 22.41 C ATOM 148 C GLY A 404 -3.043 17.277 -3.836 1.00 21.41 C ATOM 149 O GLY A 404 -3.772 16.588 -4.554 1.00 43.05 O ATOM 0 H GLY A 404 -4.494 18.307 -1.918 1.00 21.30 H new ATOM 0 HA2 GLY A 404 -4.063 19.096 -4.377 1.00 22.41 H new ATOM 0 HA3 GLY A 404 -2.458 19.347 -3.719 1.00 22.41 H new ATOM 153 N ALA A 405 -1.953 16.773 -3.220 1.00 4.21 N ATOM 154 CA ALA A 405 -1.392 15.472 -3.586 1.00 0.20 C ATOM 155 C ALA A 405 -1.997 14.312 -2.721 1.00 14.42 C ATOM 156 O ALA A 405 -1.757 14.265 -1.511 1.00 13.41 O ATOM 157 CB ALA A 405 0.074 15.586 -3.245 1.00 44.41 C ATOM 0 H ALA A 405 -1.452 17.251 -2.471 1.00 4.21 H new ATOM 0 HA ALA A 405 -1.598 15.243 -4.632 1.00 0.20 H new ATOM 0 HB1 ALA A 405 0.578 14.650 -3.488 1.00 44.41 H new ATOM 0 HB2 ALA A 405 0.519 16.398 -3.820 1.00 44.41 H new ATOM 0 HB3 ALA A 405 0.185 15.792 -2.180 1.00 44.41 H new ATOM 163 N ASN A 406 -2.764 13.381 -3.341 1.00 53.30 N ATOM 164 CA ASN A 406 -3.111 12.003 -2.758 1.00 44.31 C ATOM 165 C ASN A 406 -3.460 10.973 -3.891 1.00 14.20 C ATOM 166 O ASN A 406 -4.442 11.173 -4.601 1.00 30.53 O ATOM 167 CB ASN A 406 -4.286 12.149 -1.705 1.00 52.45 C ATOM 168 CG ASN A 406 -5.206 13.310 -1.953 1.00 35.22 C ATOM 169 OD1 ASN A 406 -5.963 13.367 -2.931 1.00 13.21 O ATOM 170 ND2 ASN A 406 -5.160 14.239 -1.007 1.00 70.14 N ATOM 0 H ASN A 406 -3.174 13.537 -4.262 1.00 53.30 H new ATOM 0 HA ASN A 406 -2.237 11.608 -2.241 1.00 44.31 H new ATOM 0 HB2 ASN A 406 -4.873 11.231 -1.705 1.00 52.45 H new ATOM 0 HB3 ASN A 406 -3.854 12.251 -0.710 1.00 52.45 H new ATOM 0 HD21 ASN A 406 -5.770 15.055 -1.063 1.00 70.14 H new ATOM 0 HD22 ASN A 406 -4.515 14.138 -0.224 1.00 70.14 H new ATOM 177 N LEU A 407 -2.655 9.876 -4.090 1.00 12.23 N ATOM 178 CA LEU A 407 -2.949 8.844 -5.118 1.00 64.44 C ATOM 179 C LEU A 407 -3.244 7.445 -4.467 1.00 13.53 C ATOM 180 O LEU A 407 -2.356 6.944 -3.774 1.00 61.03 O ATOM 181 CB LEU A 407 -1.685 8.670 -5.991 1.00 5.13 C ATOM 182 CG LEU A 407 -1.209 9.854 -6.821 1.00 74.31 C ATOM 183 CD1 LEU A 407 -2.364 10.580 -7.503 1.00 24.50 C ATOM 184 CD2 LEU A 407 -0.355 10.787 -6.000 1.00 51.41 C ATOM 0 H LEU A 407 -1.808 9.695 -3.552 1.00 12.23 H new ATOM 0 HA LEU A 407 -3.820 9.169 -5.688 1.00 64.44 H new ATOM 0 HB2 LEU A 407 -0.867 8.374 -5.335 1.00 5.13 H new ATOM 0 HB3 LEU A 407 -1.864 7.838 -6.672 1.00 5.13 H new ATOM 0 HG LEU A 407 -0.582 9.460 -7.621 1.00 74.31 H new ATOM 0 HD11 LEU A 407 -1.976 11.417 -8.083 1.00 24.50 H new ATOM 0 HD12 LEU A 407 -2.887 9.890 -8.166 1.00 24.50 H new ATOM 0 HD13 LEU A 407 -3.056 10.952 -6.748 1.00 24.50 H new ATOM 0 HD21 LEU A 407 -0.030 11.623 -6.620 1.00 51.41 H new ATOM 0 HD22 LEU A 407 -0.935 11.164 -5.157 1.00 51.41 H new ATOM 0 HD23 LEU A 407 0.518 10.250 -5.629 1.00 51.41 H new ATOM 196 N PHE A 408 -4.435 6.769 -4.664 1.00 14.41 N ATOM 197 CA PHE A 408 -4.589 5.364 -4.127 1.00 74.02 C ATOM 198 C PHE A 408 -4.632 4.295 -5.271 1.00 4.34 C ATOM 199 O PHE A 408 -4.991 4.619 -6.403 1.00 52.34 O ATOM 200 CB PHE A 408 -5.745 5.183 -3.072 1.00 40.50 C ATOM 201 CG PHE A 408 -5.602 6.117 -1.866 1.00 21.42 C ATOM 202 CD1 PHE A 408 -4.343 6.381 -1.308 1.00 33.43 C ATOM 203 CD2 PHE A 408 -6.702 6.766 -1.327 1.00 71.24 C ATOM 204 CE1 PHE A 408 -4.178 7.254 -0.246 1.00 73.12 C ATOM 205 CE2 PHE A 408 -6.549 7.645 -0.262 1.00 30.30 C ATOM 206 CZ PHE A 408 -5.285 7.899 0.269 1.00 22.11 C ATOM 0 H PHE A 408 -5.247 7.143 -5.155 1.00 14.41 H new ATOM 0 HA PHE A 408 -3.680 5.182 -3.554 1.00 74.02 H new ATOM 0 HB2 PHE A 408 -6.704 5.367 -3.556 1.00 40.50 H new ATOM 0 HB3 PHE A 408 -5.756 4.150 -2.726 1.00 40.50 H new ATOM 0 HD1 PHE A 408 -3.475 5.888 -1.719 1.00 33.43 H new ATOM 0 HD2 PHE A 408 -7.685 6.587 -1.738 1.00 71.24 H new ATOM 0 HE1 PHE A 408 -3.198 7.428 0.173 1.00 73.12 H new ATOM 0 HE2 PHE A 408 -7.415 8.135 0.158 1.00 30.30 H new ATOM 0 HZ PHE A 408 -5.172 8.600 1.083 1.00 22.11 H new ATOM 216 N ILE A 409 -4.267 3.009 -4.963 1.00 13.05 N ATOM 217 CA ILE A 409 -3.854 1.995 -6.042 1.00 14.20 C ATOM 218 C ILE A 409 -4.965 0.881 -6.123 1.00 50.51 C ATOM 219 O ILE A 409 -5.107 0.164 -5.164 1.00 51.04 O ATOM 220 CB ILE A 409 -2.375 1.315 -5.806 1.00 72.10 C ATOM 221 CG1 ILE A 409 -1.146 2.238 -6.206 1.00 14.34 C ATOM 222 CG2 ILE A 409 -2.142 -0.042 -6.570 1.00 2.11 C ATOM 223 CD1 ILE A 409 -1.117 3.745 -5.902 1.00 25.00 C ATOM 0 H ILE A 409 -4.244 2.640 -4.012 1.00 13.05 H new ATOM 0 HA ILE A 409 -3.766 2.540 -6.982 1.00 14.20 H new ATOM 0 HB ILE A 409 -2.403 1.153 -4.729 1.00 72.10 H new ATOM 0 HG12 ILE A 409 -0.264 1.806 -5.733 1.00 14.34 H new ATOM 0 HG13 ILE A 409 -1.014 2.134 -7.283 1.00 14.34 H new ATOM 0 HG21 ILE A 409 -1.141 -0.414 -6.354 1.00 2.11 H new ATOM 0 HG22 ILE A 409 -2.880 -0.775 -6.243 1.00 2.11 H new ATOM 0 HG23 ILE A 409 -2.244 0.122 -7.643 1.00 2.11 H new ATOM 0 HD11 ILE A 409 -0.182 4.171 -6.265 1.00 25.00 H new ATOM 0 HD12 ILE A 409 -1.955 4.233 -6.400 1.00 25.00 H new ATOM 0 HD13 ILE A 409 -1.194 3.901 -4.826 1.00 25.00 H new ATOM 235 N TYR A 410 -5.803 0.748 -7.203 1.00 22.32 N ATOM 236 CA TYR A 410 -6.743 -0.412 -7.344 1.00 54.41 C ATOM 237 C TYR A 410 -6.106 -1.473 -8.253 1.00 2.52 C ATOM 238 O TYR A 410 -5.469 -1.090 -9.244 1.00 55.32 O ATOM 239 CB TYR A 410 -8.097 0.108 -7.968 1.00 74.24 C ATOM 240 CG TYR A 410 -9.300 0.310 -7.063 1.00 32.11 C ATOM 241 CD1 TYR A 410 -9.237 0.899 -5.788 1.00 35.33 C ATOM 242 CD2 TYR A 410 -10.554 -0.062 -7.539 1.00 72.12 C ATOM 243 CE1 TYR A 410 -10.384 1.092 -5.043 1.00 60.34 C ATOM 244 CE2 TYR A 410 -11.691 0.134 -6.798 1.00 42.51 C ATOM 245 CZ TYR A 410 -11.605 0.707 -5.548 1.00 75.13 C ATOM 246 OH TYR A 410 -12.743 0.909 -4.795 1.00 2.11 O ATOM 0 H TYR A 410 -5.845 1.416 -7.972 1.00 22.32 H new ATOM 0 HA TYR A 410 -6.944 -0.861 -6.371 1.00 54.41 H new ATOM 0 HB2 TYR A 410 -7.889 1.061 -8.455 1.00 74.24 H new ATOM 0 HB3 TYR A 410 -8.389 -0.593 -8.750 1.00 74.24 H new ATOM 0 HD1 TYR A 410 -8.282 1.204 -5.387 1.00 35.33 H new ATOM 0 HD2 TYR A 410 -10.633 -0.516 -8.516 1.00 72.12 H new ATOM 0 HE1 TYR A 410 -10.323 1.545 -4.064 1.00 60.34 H new ATOM 0 HE2 TYR A 410 -12.652 -0.160 -7.193 1.00 42.51 H new ATOM 0 HH TYR A 410 -13.524 0.585 -5.290 1.00 2.11 H new ATOM 256 N HIS A 411 -6.233 -2.811 -7.859 1.00 15.44 N ATOM 257 CA HIS A 411 -5.681 -3.967 -8.629 1.00 11.33 C ATOM 258 C HIS A 411 -4.158 -4.137 -8.443 1.00 44.42 C ATOM 259 O HIS A 411 -3.393 -3.849 -9.368 1.00 24.43 O ATOM 260 CB HIS A 411 -5.982 -3.923 -10.117 1.00 55.02 C ATOM 261 CG HIS A 411 -7.415 -4.065 -10.527 1.00 34.12 C ATOM 262 ND1 HIS A 411 -8.444 -4.388 -9.678 1.00 64.41 N ATOM 263 CD2 HIS A 411 -7.965 -3.887 -11.737 1.00 51.32 C ATOM 264 CE1 HIS A 411 -9.578 -4.415 -10.357 1.00 4.55 C ATOM 265 NE2 HIS A 411 -9.314 -4.118 -11.625 1.00 62.05 N ATOM 0 H HIS A 411 -6.718 -3.090 -7.007 1.00 15.44 H new ATOM 0 HA HIS A 411 -6.200 -4.825 -8.203 1.00 11.33 H new ATOM 0 HB2 HIS A 411 -5.610 -2.977 -10.510 1.00 55.02 H new ATOM 0 HB3 HIS A 411 -5.411 -4.715 -10.601 1.00 55.02 H new ATOM 0 HD2 HIS A 411 -7.440 -3.611 -12.640 1.00 51.32 H new ATOM 0 HE1 HIS A 411 -10.553 -4.640 -9.950 1.00 4.55 H new ATOM 0 HE2 HIS A 411 -9.995 -4.070 -12.383 1.00 62.05 H new ATOM 274 N LEU A 412 -3.706 -4.552 -7.250 1.00 53.51 N ATOM 275 CA LEU A 412 -2.272 -4.519 -6.921 1.00 20.11 C ATOM 276 C LEU A 412 -1.615 -5.781 -7.514 1.00 31.24 C ATOM 277 O LEU A 412 -2.060 -6.894 -7.188 1.00 0.52 O ATOM 278 CB LEU A 412 -2.023 -4.386 -5.358 1.00 72.15 C ATOM 279 CG LEU A 412 -0.594 -4.702 -4.836 1.00 15.54 C ATOM 280 CD1 LEU A 412 -0.060 -3.580 -3.954 1.00 33.43 C ATOM 281 CD2 LEU A 412 -0.552 -6.013 -4.029 1.00 20.13 C ATOM 0 H LEU A 412 -4.304 -4.910 -6.505 1.00 53.51 H new ATOM 0 HA LEU A 412 -1.814 -3.633 -7.361 1.00 20.11 H new ATOM 0 HB2 LEU A 412 -2.273 -3.367 -5.062 1.00 72.15 H new ATOM 0 HB3 LEU A 412 -2.723 -5.047 -4.847 1.00 72.15 H new ATOM 0 HG LEU A 412 0.032 -4.804 -5.722 1.00 15.54 H new ATOM 0 HD11 LEU A 412 0.941 -3.835 -3.607 1.00 33.43 H new ATOM 0 HD12 LEU A 412 -0.020 -2.654 -4.528 1.00 33.43 H new ATOM 0 HD13 LEU A 412 -0.719 -3.447 -3.096 1.00 33.43 H new ATOM 0 HD21 LEU A 412 0.466 -6.195 -3.683 1.00 20.13 H new ATOM 0 HD22 LEU A 412 -1.218 -5.933 -3.170 1.00 20.13 H new ATOM 0 HD23 LEU A 412 -0.874 -6.840 -4.662 1.00 20.13 H new ATOM 293 N PRO A 413 -0.608 -5.675 -8.448 1.00 3.42 N ATOM 294 CA PRO A 413 0.064 -6.861 -9.004 1.00 71.35 C ATOM 295 C PRO A 413 0.992 -7.660 -8.050 1.00 63.03 C ATOM 296 O PRO A 413 1.165 -7.306 -6.888 1.00 2.32 O ATOM 297 CB PRO A 413 0.712 -6.378 -10.268 1.00 13.31 C ATOM 298 CG PRO A 413 1.011 -4.963 -10.055 1.00 71.20 C ATOM 299 CD PRO A 413 -0.057 -4.423 -9.132 1.00 72.42 C ATOM 0 HA PRO A 413 -0.669 -7.645 -9.195 1.00 71.35 H new ATOM 0 HB2 PRO A 413 1.621 -6.941 -10.480 1.00 13.31 H new ATOM 0 HB3 PRO A 413 0.048 -6.512 -11.122 1.00 13.31 H new ATOM 0 HG2 PRO A 413 2.000 -4.839 -9.615 1.00 71.20 H new ATOM 0 HG3 PRO A 413 1.013 -4.422 -11.001 1.00 71.20 H new ATOM 0 HD2 PRO A 413 0.356 -3.720 -8.409 1.00 72.42 H new ATOM 0 HD3 PRO A 413 -0.833 -3.893 -9.684 1.00 72.42 H new ATOM 307 N GLN A 414 1.582 -8.735 -8.609 1.00 73.14 N ATOM 308 CA GLN A 414 1.866 -10.046 -7.996 1.00 5.15 C ATOM 309 C GLN A 414 2.110 -10.208 -6.433 1.00 73.24 C ATOM 310 O GLN A 414 1.250 -10.822 -5.800 1.00 62.13 O ATOM 311 CB GLN A 414 3.174 -10.477 -8.752 1.00 21.44 C ATOM 312 CG GLN A 414 4.167 -9.329 -9.145 1.00 70.10 C ATOM 313 CD GLN A 414 5.300 -9.083 -8.144 1.00 23.24 C ATOM 314 OE1 GLN A 414 5.759 -9.995 -7.465 1.00 52.23 O ATOM 315 NE2 GLN A 414 5.744 -7.830 -8.063 1.00 1.40 N ATOM 0 H GLN A 414 1.897 -8.706 -9.579 1.00 73.14 H new ATOM 0 HA GLN A 414 0.954 -10.635 -8.095 1.00 5.15 H new ATOM 0 HB2 GLN A 414 3.709 -11.192 -8.127 1.00 21.44 H new ATOM 0 HB3 GLN A 414 2.884 -11.003 -9.661 1.00 21.44 H new ATOM 0 HG2 GLN A 414 4.604 -9.564 -10.115 1.00 70.10 H new ATOM 0 HG3 GLN A 414 3.601 -8.405 -9.265 1.00 70.10 H new ATOM 0 HE21 GLN A 414 5.331 -7.104 -8.648 1.00 1.40 H new ATOM 0 HE22 GLN A 414 6.497 -7.597 -7.416 1.00 1.40 H new ATOM 324 N GLU A 415 3.177 -9.712 -5.784 1.00 52.03 N ATOM 325 CA GLU A 415 3.216 -9.669 -4.289 1.00 14.35 C ATOM 326 C GLU A 415 3.362 -8.224 -3.707 1.00 72.35 C ATOM 327 O GLU A 415 3.505 -8.085 -2.497 1.00 41.14 O ATOM 328 CB GLU A 415 4.233 -10.768 -3.729 1.00 62.22 C ATOM 329 CG GLU A 415 5.383 -10.319 -2.820 1.00 31.32 C ATOM 330 CD GLU A 415 6.663 -11.101 -3.045 1.00 30.20 C ATOM 331 OE1 GLU A 415 7.381 -10.802 -4.019 1.00 52.13 O ATOM 332 OE2 GLU A 415 6.958 -12.008 -2.237 1.00 11.42 O ATOM 0 H GLU A 415 4.009 -9.342 -6.244 1.00 52.03 H new ATOM 0 HA GLU A 415 2.238 -9.957 -3.904 1.00 14.35 H new ATOM 0 HB2 GLU A 415 3.650 -11.508 -3.181 1.00 62.22 H new ATOM 0 HB3 GLU A 415 4.671 -11.279 -4.586 1.00 62.22 H new ATOM 0 HG2 GLU A 415 5.578 -9.260 -2.988 1.00 31.32 H new ATOM 0 HG3 GLU A 415 5.078 -10.426 -1.779 1.00 31.32 H new ATOM 339 N PHE A 416 3.073 -7.164 -4.525 1.00 62.23 N ATOM 340 CA PHE A 416 3.757 -5.804 -4.401 1.00 22.43 C ATOM 341 C PHE A 416 3.632 -5.234 -2.960 1.00 23.45 C ATOM 342 O PHE A 416 2.570 -4.764 -2.552 1.00 61.14 O ATOM 343 CB PHE A 416 3.123 -4.752 -5.401 1.00 70.20 C ATOM 344 CG PHE A 416 3.915 -4.191 -6.559 1.00 52.14 C ATOM 345 CD1 PHE A 416 4.935 -4.859 -7.246 1.00 73.40 C ATOM 346 CD2 PHE A 416 3.557 -2.920 -6.976 1.00 72.24 C ATOM 347 CE1 PHE A 416 5.579 -4.248 -8.312 1.00 71.05 C ATOM 348 CE2 PHE A 416 4.184 -2.313 -8.041 1.00 42.44 C ATOM 349 CZ PHE A 416 5.197 -2.978 -8.719 1.00 73.21 C ATOM 0 H PHE A 416 2.381 -7.209 -5.273 1.00 62.23 H new ATOM 0 HA PHE A 416 4.808 -5.963 -4.644 1.00 22.43 H new ATOM 0 HB2 PHE A 416 2.229 -5.213 -5.821 1.00 70.20 H new ATOM 0 HB3 PHE A 416 2.793 -3.904 -4.802 1.00 70.20 H new ATOM 0 HD1 PHE A 416 5.222 -5.856 -6.945 1.00 73.40 H new ATOM 0 HD2 PHE A 416 2.770 -2.394 -6.455 1.00 72.24 H new ATOM 0 HE1 PHE A 416 6.378 -4.761 -8.825 1.00 71.05 H new ATOM 0 HE2 PHE A 416 3.888 -1.321 -8.349 1.00 42.44 H new ATOM 0 HZ PHE A 416 5.686 -2.508 -9.560 1.00 73.21 H new ATOM 359 N GLY A 417 4.735 -5.334 -2.178 1.00 24.32 N ATOM 360 CA GLY A 417 4.727 -4.932 -0.786 1.00 1.22 C ATOM 361 C GLY A 417 5.359 -3.556 -0.503 1.00 60.31 C ATOM 362 O GLY A 417 5.626 -2.803 -1.437 1.00 5.22 O ATOM 0 H GLY A 417 5.632 -5.692 -2.506 1.00 24.32 H new ATOM 0 HA2 GLY A 417 3.696 -4.921 -0.432 1.00 1.22 H new ATOM 0 HA3 GLY A 417 5.256 -5.685 -0.203 1.00 1.22 H new ATOM 366 N ASP A 418 5.575 -3.216 0.799 1.00 32.31 N ATOM 367 CA ASP A 418 6.138 -1.902 1.214 1.00 14.12 C ATOM 368 C ASP A 418 7.523 -1.597 0.600 1.00 23.22 C ATOM 369 O ASP A 418 7.780 -0.466 0.179 1.00 5.31 O ATOM 370 CB ASP A 418 6.276 -1.791 2.739 1.00 54.14 C ATOM 371 CG ASP A 418 4.961 -1.626 3.463 1.00 0.22 C ATOM 372 OD1 ASP A 418 4.202 -2.617 3.573 1.00 41.34 O ATOM 373 OD2 ASP A 418 4.695 -0.513 3.948 1.00 34.43 O ATOM 0 H ASP A 418 5.366 -3.838 1.580 1.00 32.31 H new ATOM 0 HA ASP A 418 5.418 -1.175 0.838 1.00 14.12 H new ATOM 0 HB2 ASP A 418 6.776 -2.684 3.114 1.00 54.14 H new ATOM 0 HB3 ASP A 418 6.918 -0.942 2.975 1.00 54.14 H new ATOM 378 N GLN A 419 8.410 -2.614 0.579 1.00 43.11 N ATOM 379 CA GLN A 419 9.782 -2.472 0.054 1.00 5.20 C ATOM 380 C GLN A 419 9.821 -2.129 -1.453 1.00 40.30 C ATOM 381 O GLN A 419 10.690 -1.353 -1.876 1.00 10.53 O ATOM 382 CB GLN A 419 10.672 -3.715 0.363 1.00 63.43 C ATOM 383 CG GLN A 419 10.497 -4.939 -0.586 1.00 11.54 C ATOM 384 CD GLN A 419 11.702 -5.209 -1.492 1.00 12.03 C ATOM 385 OE1 GLN A 419 11.966 -6.357 -1.840 1.00 1.50 O ATOM 386 NE2 GLN A 419 12.433 -4.173 -1.901 1.00 12.53 N ATOM 0 H GLN A 419 8.196 -3.550 0.923 1.00 43.11 H new ATOM 0 HA GLN A 419 10.205 -1.621 0.588 1.00 5.20 H new ATOM 0 HB2 GLN A 419 11.716 -3.405 0.333 1.00 63.43 H new ATOM 0 HB3 GLN A 419 10.465 -4.040 1.383 1.00 63.43 H new ATOM 0 HG2 GLN A 419 10.304 -5.827 0.016 1.00 11.54 H new ATOM 0 HG3 GLN A 419 9.617 -4.779 -1.209 1.00 11.54 H new ATOM 0 HE21 GLN A 419 12.194 -3.229 -1.598 1.00 12.53 H new ATOM 0 HE22 GLN A 419 13.232 -4.324 -2.517 1.00 12.53 H new ATOM 395 N ASP A 420 8.908 -2.694 -2.268 1.00 3.01 N ATOM 396 CA ASP A 420 8.891 -2.339 -3.698 1.00 51.41 C ATOM 397 C ASP A 420 8.285 -0.934 -3.950 1.00 40.11 C ATOM 398 O ASP A 420 8.870 -0.183 -4.724 1.00 1.12 O ATOM 399 CB ASP A 420 8.220 -3.393 -4.603 1.00 0.43 C ATOM 400 CG ASP A 420 6.860 -3.003 -5.076 1.00 53.41 C ATOM 401 OD1 ASP A 420 5.887 -3.270 -4.361 1.00 70.01 O ATOM 402 OD2 ASP A 420 6.786 -2.388 -6.148 1.00 1.43 O ATOM 0 H ASP A 420 8.202 -3.369 -1.976 1.00 3.01 H new ATOM 0 HA ASP A 420 9.943 -2.316 -3.984 1.00 51.41 H new ATOM 0 HB2 ASP A 420 8.857 -3.574 -5.469 1.00 0.43 H new ATOM 0 HB3 ASP A 420 8.149 -4.334 -4.058 1.00 0.43 H new ATOM 407 N ILE A 421 7.102 -0.610 -3.319 1.00 23.20 N ATOM 408 CA ILE A 421 6.392 0.695 -3.510 1.00 42.15 C ATOM 409 C ILE A 421 7.306 1.930 -3.227 1.00 25.13 C ATOM 410 O ILE A 421 7.030 3.032 -3.720 1.00 30.32 O ATOM 411 CB ILE A 421 5.017 0.782 -2.629 1.00 74.55 C ATOM 412 CG1 ILE A 421 3.693 0.885 -3.498 1.00 15.54 C ATOM 413 CG2 ILE A 421 5.013 1.883 -1.545 1.00 40.22 C ATOM 414 CD1 ILE A 421 2.452 1.510 -2.837 1.00 12.32 C ATOM 0 H ILE A 421 6.626 -1.241 -2.674 1.00 23.20 H new ATOM 0 HA ILE A 421 6.120 0.729 -4.565 1.00 42.15 H new ATOM 0 HB ILE A 421 5.012 -0.181 -2.118 1.00 74.55 H new ATOM 0 HG12 ILE A 421 3.923 1.463 -4.393 1.00 15.54 H new ATOM 0 HG13 ILE A 421 3.428 -0.120 -3.826 1.00 15.54 H new ATOM 0 HG21 ILE A 421 4.062 1.866 -1.012 1.00 40.22 H new ATOM 0 HG22 ILE A 421 5.826 1.704 -0.842 1.00 40.22 H new ATOM 0 HG23 ILE A 421 5.147 2.857 -2.015 1.00 40.22 H new ATOM 0 HD11 ILE A 421 1.625 1.514 -3.547 1.00 12.32 H new ATOM 0 HD12 ILE A 421 2.174 0.926 -1.960 1.00 12.32 H new ATOM 0 HD13 ILE A 421 2.677 2.533 -2.535 1.00 12.32 H new ATOM 426 N LEU A 422 8.429 1.725 -2.520 1.00 65.53 N ATOM 427 CA LEU A 422 9.208 2.832 -2.033 1.00 43.04 C ATOM 428 C LEU A 422 10.176 3.244 -3.157 1.00 34.44 C ATOM 429 O LEU A 422 10.392 4.426 -3.409 1.00 51.31 O ATOM 430 CB LEU A 422 9.934 2.504 -0.661 1.00 20.31 C ATOM 431 CG LEU A 422 10.799 3.646 -0.018 1.00 51.23 C ATOM 432 CD1 LEU A 422 10.091 5.006 0.104 1.00 14.20 C ATOM 433 CD2 LEU A 422 11.313 3.307 1.385 1.00 54.24 C ATOM 0 H LEU A 422 8.800 0.805 -2.284 1.00 65.53 H new ATOM 0 HA LEU A 422 8.560 3.674 -1.791 1.00 43.04 H new ATOM 0 HB2 LEU A 422 9.174 2.208 0.062 1.00 20.31 H new ATOM 0 HB3 LEU A 422 10.579 1.639 -0.818 1.00 20.31 H new ATOM 0 HG LEU A 422 11.621 3.724 -0.730 1.00 51.23 H new ATOM 0 HD11 LEU A 422 10.768 5.729 0.559 1.00 14.20 H new ATOM 0 HD12 LEU A 422 9.800 5.355 -0.887 1.00 14.20 H new ATOM 0 HD13 LEU A 422 9.203 4.899 0.726 1.00 14.20 H new ATOM 0 HD21 LEU A 422 11.902 4.140 1.768 1.00 54.24 H new ATOM 0 HD22 LEU A 422 10.467 3.126 2.048 1.00 54.24 H new ATOM 0 HD23 LEU A 422 11.936 2.413 1.338 1.00 54.24 H new ATOM 445 N GLN A 423 10.729 2.234 -3.839 1.00 11.22 N ATOM 446 CA GLN A 423 11.610 2.460 -4.996 1.00 2.03 C ATOM 447 C GLN A 423 10.878 2.538 -6.388 1.00 41.01 C ATOM 448 O GLN A 423 11.312 3.333 -7.219 1.00 52.44 O ATOM 449 CB GLN A 423 12.775 1.431 -5.023 1.00 52.24 C ATOM 450 CG GLN A 423 12.409 0.119 -5.703 1.00 30.25 C ATOM 451 CD GLN A 423 13.236 -1.056 -5.259 1.00 22.13 C ATOM 452 OE1 GLN A 423 14.292 -1.345 -5.824 1.00 11.45 O ATOM 453 NE2 GLN A 423 12.748 -1.752 -4.248 1.00 4.04 N ATOM 0 H GLN A 423 10.583 1.251 -3.611 1.00 11.22 H new ATOM 0 HA GLN A 423 12.020 3.459 -4.846 1.00 2.03 H new ATOM 0 HB2 GLN A 423 13.628 1.873 -5.538 1.00 52.24 H new ATOM 0 HB3 GLN A 423 13.092 1.225 -4.001 1.00 52.24 H new ATOM 0 HG2 GLN A 423 11.358 -0.097 -5.510 1.00 30.25 H new ATOM 0 HG3 GLN A 423 12.517 0.239 -6.781 1.00 30.25 H new ATOM 0 HE21 GLN A 423 11.869 -1.472 -3.813 1.00 4.04 H new ATOM 0 HE22 GLN A 423 13.250 -2.570 -3.902 1.00 4.04 H new ATOM 462 N MET A 424 9.802 1.734 -6.677 1.00 2.44 N ATOM 463 CA MET A 424 9.162 1.770 -8.033 1.00 0.34 C ATOM 464 C MET A 424 8.370 3.113 -8.256 1.00 14.42 C ATOM 465 O MET A 424 8.081 3.463 -9.406 1.00 24.14 O ATOM 466 CB MET A 424 8.288 0.474 -8.356 1.00 23.52 C ATOM 467 CG MET A 424 8.237 0.022 -9.848 1.00 11.24 C ATOM 468 SD MET A 424 9.712 -0.912 -10.310 1.00 24.25 S ATOM 469 CE MET A 424 9.569 -2.367 -9.252 1.00 73.22 C ATOM 0 H MET A 424 9.377 1.081 -6.019 1.00 2.44 H new ATOM 0 HA MET A 424 9.973 1.748 -8.761 1.00 0.34 H new ATOM 0 HB2 MET A 424 8.674 -0.354 -7.762 1.00 23.52 H new ATOM 0 HB3 MET A 424 7.267 0.659 -8.021 1.00 23.52 H new ATOM 0 HG2 MET A 424 7.351 -0.591 -10.013 1.00 11.24 H new ATOM 0 HG3 MET A 424 8.143 0.897 -10.491 1.00 11.24 H new ATOM 0 HE1 MET A 424 10.091 -3.205 -9.713 1.00 73.22 H new ATOM 0 HE2 MET A 424 10.012 -2.154 -8.279 1.00 73.22 H new ATOM 0 HE3 MET A 424 8.517 -2.621 -9.123 1.00 73.22 H new ATOM 479 N PHE A 425 8.029 3.883 -7.166 1.00 54.14 N ATOM 480 CA PHE A 425 7.387 5.218 -7.297 1.00 72.24 C ATOM 481 C PHE A 425 8.421 6.382 -7.050 1.00 12.41 C ATOM 482 O PHE A 425 8.056 7.549 -7.120 1.00 3.51 O ATOM 483 CB PHE A 425 6.125 5.256 -6.375 1.00 61.41 C ATOM 484 CG PHE A 425 4.758 4.982 -7.058 1.00 52.31 C ATOM 485 CD1 PHE A 425 4.400 3.718 -7.558 1.00 60.34 C ATOM 486 CD2 PHE A 425 3.822 6.004 -7.216 1.00 41.42 C ATOM 487 CE1 PHE A 425 3.184 3.499 -8.177 1.00 20.44 C ATOM 488 CE2 PHE A 425 2.615 5.771 -7.825 1.00 54.44 C ATOM 489 CZ PHE A 425 2.293 4.527 -8.303 1.00 65.40 C ATOM 0 H PHE A 425 8.191 3.595 -6.201 1.00 54.14 H new ATOM 0 HA PHE A 425 7.044 5.383 -8.318 1.00 72.24 H new ATOM 0 HB2 PHE A 425 6.262 4.523 -5.580 1.00 61.41 H new ATOM 0 HB3 PHE A 425 6.079 6.236 -5.901 1.00 61.41 H new ATOM 0 HD1 PHE A 425 5.093 2.896 -7.456 1.00 60.34 H new ATOM 0 HD2 PHE A 425 4.051 6.995 -6.853 1.00 41.42 H new ATOM 0 HE1 PHE A 425 2.939 2.519 -8.560 1.00 20.44 H new ATOM 0 HE2 PHE A 425 1.907 6.580 -7.930 1.00 54.44 H new ATOM 0 HZ PHE A 425 1.337 4.360 -8.778 1.00 65.40 H new ATOM 499 N MET A 426 9.723 6.042 -6.802 1.00 51.45 N ATOM 500 CA MET A 426 10.755 6.991 -6.300 1.00 4.42 C ATOM 501 C MET A 426 11.233 8.052 -7.345 1.00 4.11 C ATOM 502 O MET A 426 11.405 9.206 -6.947 1.00 42.45 O ATOM 503 CB MET A 426 12.013 6.216 -5.835 1.00 11.33 C ATOM 504 CG MET A 426 12.729 6.701 -4.571 1.00 55.00 C ATOM 505 SD MET A 426 13.545 8.312 -4.723 1.00 12.05 S ATOM 506 CE MET A 426 12.456 9.355 -3.754 1.00 71.22 C ATOM 0 H MET A 426 10.082 5.098 -6.947 1.00 51.45 H new ATOM 0 HA MET A 426 10.264 7.522 -5.485 1.00 4.42 H new ATOM 0 HB2 MET A 426 11.726 5.176 -5.678 1.00 11.33 H new ATOM 0 HB3 MET A 426 12.734 6.228 -6.653 1.00 11.33 H new ATOM 0 HG2 MET A 426 12.004 6.753 -3.758 1.00 55.00 H new ATOM 0 HG3 MET A 426 13.474 5.958 -4.286 1.00 55.00 H new ATOM 0 HE1 MET A 426 12.833 10.378 -3.758 1.00 71.22 H new ATOM 0 HE2 MET A 426 11.455 9.336 -4.185 1.00 71.22 H new ATOM 0 HE3 MET A 426 12.416 8.987 -2.729 1.00 71.22 H new ATOM 516 N PRO A 427 11.557 7.692 -8.667 1.00 64.21 N ATOM 517 CA PRO A 427 12.138 8.634 -9.702 1.00 72.45 C ATOM 518 C PRO A 427 11.365 9.990 -9.985 1.00 24.13 C ATOM 519 O PRO A 427 11.792 10.752 -10.856 1.00 24.51 O ATOM 520 CB PRO A 427 12.218 7.708 -10.964 1.00 2.05 C ATOM 521 CG PRO A 427 11.181 6.693 -10.705 1.00 51.33 C ATOM 522 CD PRO A 427 11.477 6.341 -9.298 1.00 70.04 C ATOM 0 HA PRO A 427 13.085 9.047 -9.355 1.00 72.45 H new ATOM 0 HB2 PRO A 427 12.019 8.261 -11.882 1.00 2.05 H new ATOM 0 HB3 PRO A 427 13.205 7.257 -11.070 1.00 2.05 H new ATOM 0 HG2 PRO A 427 10.174 7.092 -10.827 1.00 51.33 H new ATOM 0 HG3 PRO A 427 11.268 5.835 -11.372 1.00 51.33 H new ATOM 0 HD2 PRO A 427 10.693 5.726 -8.855 1.00 70.04 H new ATOM 0 HD3 PRO A 427 12.410 5.786 -9.201 1.00 70.04 H new ATOM 530 N PHE A 428 10.254 10.304 -9.260 1.00 72.53 N ATOM 531 CA PHE A 428 9.600 11.662 -9.344 1.00 15.43 C ATOM 532 C PHE A 428 9.552 12.488 -7.992 1.00 31.20 C ATOM 533 O PHE A 428 8.795 13.466 -7.926 1.00 75.04 O ATOM 534 CB PHE A 428 8.160 11.649 -9.965 1.00 74.34 C ATOM 535 CG PHE A 428 7.710 10.439 -10.787 1.00 40.44 C ATOM 536 CD1 PHE A 428 7.912 10.417 -12.167 1.00 53.20 C ATOM 537 CD2 PHE A 428 7.019 9.372 -10.211 1.00 22.14 C ATOM 538 CE1 PHE A 428 7.444 9.364 -12.938 1.00 1.32 C ATOM 539 CE2 PHE A 428 6.541 8.320 -10.988 1.00 42.31 C ATOM 540 CZ PHE A 428 6.756 8.321 -12.344 1.00 61.03 C ATOM 0 H PHE A 428 9.793 9.657 -8.621 1.00 72.53 H new ATOM 0 HA PHE A 428 10.282 12.174 -10.023 1.00 15.43 H new ATOM 0 HB2 PHE A 428 7.450 11.772 -9.148 1.00 74.34 H new ATOM 0 HB3 PHE A 428 8.070 12.529 -10.601 1.00 74.34 H new ATOM 0 HD1 PHE A 428 8.440 11.231 -12.641 1.00 53.20 H new ATOM 0 HD2 PHE A 428 6.852 9.362 -9.144 1.00 22.14 H new ATOM 0 HE1 PHE A 428 7.617 9.358 -14.004 1.00 1.32 H new ATOM 0 HE2 PHE A 428 6.003 7.506 -10.525 1.00 42.31 H new ATOM 0 HZ PHE A 428 6.387 7.506 -12.948 1.00 61.03 H new ATOM 550 N GLY A 429 10.339 12.154 -6.936 1.00 44.51 N ATOM 551 CA GLY A 429 10.580 13.109 -5.846 1.00 2.42 C ATOM 552 C GLY A 429 10.188 12.646 -4.430 1.00 73.25 C ATOM 553 O GLY A 429 9.874 11.470 -4.234 1.00 23.42 O ATOM 0 H GLY A 429 10.802 11.252 -6.825 1.00 44.51 H new ATOM 0 HA2 GLY A 429 11.640 13.362 -5.841 1.00 2.42 H new ATOM 0 HA3 GLY A 429 10.035 14.026 -6.069 1.00 2.42 H new ATOM 557 N ASN A 430 10.180 13.589 -3.441 1.00 32.32 N ATOM 558 CA ASN A 430 10.276 13.223 -1.997 1.00 32.22 C ATOM 559 C ASN A 430 8.931 12.669 -1.424 1.00 22.13 C ATOM 560 O ASN A 430 7.879 13.319 -1.507 1.00 41.10 O ATOM 561 CB ASN A 430 10.851 14.385 -1.116 1.00 64.31 C ATOM 562 CG ASN A 430 9.999 15.640 -1.002 1.00 0.14 C ATOM 563 OD1 ASN A 430 9.362 16.079 -1.959 1.00 64.52 O ATOM 564 ND2 ASN A 430 10.010 16.239 0.194 1.00 1.01 N ATOM 0 H ASN A 430 10.109 14.592 -3.615 1.00 32.32 H new ATOM 0 HA ASN A 430 10.996 12.407 -1.947 1.00 32.22 H new ATOM 0 HB2 ASN A 430 11.023 13.998 -0.112 1.00 64.31 H new ATOM 0 HB3 ASN A 430 11.823 14.669 -1.519 1.00 64.31 H new ATOM 0 HD21 ASN A 430 9.476 17.095 0.340 1.00 1.01 H new ATOM 0 HD22 ASN A 430 10.553 15.839 0.960 1.00 1.01 H new ATOM 571 N VAL A 431 8.982 11.429 -0.899 1.00 22.41 N ATOM 572 CA VAL A 431 7.789 10.626 -0.600 1.00 5.32 C ATOM 573 C VAL A 431 7.602 10.362 0.958 1.00 62.10 C ATOM 574 O VAL A 431 8.569 9.977 1.613 1.00 44.24 O ATOM 575 CB VAL A 431 7.931 9.353 -1.513 1.00 63.41 C ATOM 576 CG1 VAL A 431 9.239 8.603 -1.323 1.00 52.12 C ATOM 577 CG2 VAL A 431 6.777 8.376 -1.451 1.00 73.23 C ATOM 0 H VAL A 431 9.858 10.958 -0.671 1.00 22.41 H new ATOM 0 HA VAL A 431 6.854 11.136 -0.832 1.00 5.32 H new ATOM 0 HB VAL A 431 7.921 9.794 -2.510 1.00 63.41 H new ATOM 0 HG11 VAL A 431 9.262 7.738 -1.986 1.00 52.12 H new ATOM 0 HG12 VAL A 431 10.074 9.263 -1.557 1.00 52.12 H new ATOM 0 HG13 VAL A 431 9.320 8.269 -0.289 1.00 52.12 H new ATOM 0 HG21 VAL A 431 6.975 7.536 -2.117 1.00 73.23 H new ATOM 0 HG22 VAL A 431 6.664 8.011 -0.430 1.00 73.23 H new ATOM 0 HG23 VAL A 431 5.860 8.876 -1.761 1.00 73.23 H new ATOM 587 N ILE A 432 6.373 10.586 1.564 1.00 62.02 N ATOM 588 CA ILE A 432 6.218 10.587 3.063 1.00 72.54 C ATOM 589 C ILE A 432 5.408 9.343 3.613 1.00 74.43 C ATOM 590 O ILE A 432 5.459 9.064 4.817 1.00 14.12 O ATOM 591 CB ILE A 432 5.522 11.902 3.646 1.00 31.13 C ATOM 592 CG1 ILE A 432 5.615 13.090 2.685 1.00 22.50 C ATOM 593 CG2 ILE A 432 6.096 12.337 4.989 1.00 65.24 C ATOM 594 CD1 ILE A 432 4.996 14.414 3.188 1.00 31.41 C ATOM 0 H ILE A 432 5.509 10.761 1.051 1.00 62.02 H new ATOM 0 HA ILE A 432 7.251 10.542 3.408 1.00 72.54 H new ATOM 0 HB ILE A 432 4.478 11.617 3.779 1.00 31.13 H new ATOM 0 HG12 ILE A 432 6.666 13.266 2.456 1.00 22.50 H new ATOM 0 HG13 ILE A 432 5.127 12.815 1.750 1.00 22.50 H new ATOM 0 HG21 ILE A 432 5.581 13.235 5.331 1.00 65.24 H new ATOM 0 HG22 ILE A 432 5.958 11.540 5.719 1.00 65.24 H new ATOM 0 HG23 ILE A 432 7.160 12.548 4.879 1.00 65.24 H new ATOM 0 HD11 ILE A 432 5.119 15.185 2.428 1.00 31.41 H new ATOM 0 HD12 ILE A 432 3.934 14.267 3.387 1.00 31.41 H new ATOM 0 HD13 ILE A 432 5.497 14.725 4.105 1.00 31.41 H new ATOM 606 N SER A 433 4.668 8.601 2.737 1.00 5.30 N ATOM 607 CA SER A 433 3.717 7.518 3.146 1.00 73.45 C ATOM 608 C SER A 433 3.862 6.230 2.267 1.00 4.01 C ATOM 609 O SER A 433 3.836 6.310 1.037 1.00 3.41 O ATOM 610 CB SER A 433 2.259 8.102 3.055 1.00 52.52 C ATOM 611 OG SER A 433 2.136 9.282 3.832 1.00 5.42 O ATOM 0 H SER A 433 4.713 8.736 1.727 1.00 5.30 H new ATOM 0 HA SER A 433 3.945 7.208 4.166 1.00 73.45 H new ATOM 0 HB2 SER A 433 2.015 8.320 2.015 1.00 52.52 H new ATOM 0 HB3 SER A 433 1.543 7.357 3.402 1.00 52.52 H new ATOM 0 HG SER A 433 1.222 9.628 3.759 1.00 5.42 H new ATOM 617 N ALA A 434 4.020 5.047 2.955 1.00 33.34 N ATOM 618 CA ALA A 434 3.981 3.664 2.322 1.00 13.21 C ATOM 619 C ALA A 434 3.384 2.586 3.345 1.00 71.44 C ATOM 620 O ALA A 434 3.969 2.428 4.420 1.00 4.14 O ATOM 621 CB ALA A 434 5.398 3.208 1.846 1.00 61.21 C ATOM 0 H ALA A 434 4.178 5.019 3.962 1.00 33.34 H new ATOM 0 HA ALA A 434 3.330 3.729 1.450 1.00 13.21 H new ATOM 0 HB1 ALA A 434 5.330 2.216 1.399 1.00 61.21 H new ATOM 0 HB2 ALA A 434 5.778 3.913 1.107 1.00 61.21 H new ATOM 0 HB3 ALA A 434 6.076 3.176 2.699 1.00 61.21 H new ATOM 627 N LYS A 435 2.201 1.895 3.072 1.00 41.12 N ATOM 628 CA LYS A 435 1.711 0.742 3.908 1.00 44.43 C ATOM 629 C LYS A 435 0.738 -0.154 3.045 1.00 72.45 C ATOM 630 O LYS A 435 -0.124 0.413 2.358 1.00 42.32 O ATOM 631 CB LYS A 435 1.044 1.181 5.291 1.00 63.03 C ATOM 632 CG LYS A 435 -0.298 1.929 5.326 1.00 40.14 C ATOM 633 CD LYS A 435 -1.485 0.971 5.349 1.00 52.13 C ATOM 634 CE LYS A 435 -2.851 1.669 5.368 1.00 13.43 C ATOM 635 NZ LYS A 435 -3.009 2.618 6.506 1.00 12.43 N ATOM 0 H LYS A 435 1.589 2.123 2.289 1.00 41.12 H new ATOM 0 HA LYS A 435 2.585 0.159 4.198 1.00 44.43 H new ATOM 0 HB2 LYS A 435 0.919 0.276 5.886 1.00 63.03 H new ATOM 0 HB3 LYS A 435 1.770 1.806 5.810 1.00 63.03 H new ATOM 0 HG2 LYS A 435 -0.333 2.571 6.206 1.00 40.14 H new ATOM 0 HG3 LYS A 435 -0.374 2.579 4.454 1.00 40.14 H new ATOM 0 HD2 LYS A 435 -1.432 0.323 4.474 1.00 52.13 H new ATOM 0 HD3 LYS A 435 -1.404 0.330 6.227 1.00 52.13 H new ATOM 0 HE2 LYS A 435 -2.989 2.209 4.431 1.00 13.43 H new ATOM 0 HE3 LYS A 435 -3.636 0.915 5.420 1.00 13.43 H new ATOM 0 HZ1 LYS A 435 -3.974 3.006 6.503 1.00 12.43 H new ATOM 0 HZ2 LYS A 435 -2.840 2.117 7.402 1.00 12.43 H new ATOM 0 HZ3 LYS A 435 -2.324 3.394 6.408 1.00 12.43 H new ATOM 649 N VAL A 436 0.862 -1.522 3.023 1.00 31.50 N ATOM 650 CA VAL A 436 -0.237 -2.381 2.450 1.00 24.43 C ATOM 651 C VAL A 436 -1.003 -3.049 3.652 1.00 4.22 C ATOM 652 O VAL A 436 -0.615 -4.103 4.165 1.00 65.30 O ATOM 653 CB VAL A 436 0.340 -3.471 1.401 1.00 21.23 C ATOM 654 CG1 VAL A 436 -0.593 -4.662 1.095 1.00 1.51 C ATOM 655 CG2 VAL A 436 0.730 -2.893 0.018 1.00 31.22 C ATOM 0 H VAL A 436 1.670 -2.035 3.376 1.00 31.50 H new ATOM 0 HA VAL A 436 -0.931 -1.768 1.875 1.00 24.43 H new ATOM 0 HB VAL A 436 1.218 -3.811 1.950 1.00 21.23 H new ATOM 0 HG11 VAL A 436 -0.109 -5.330 0.382 1.00 1.51 H new ATOM 0 HG12 VAL A 436 -0.803 -5.205 2.016 1.00 1.51 H new ATOM 0 HG13 VAL A 436 -1.527 -4.293 0.670 1.00 1.51 H new ATOM 0 HG21 VAL A 436 1.106 -3.694 -0.618 1.00 31.22 H new ATOM 0 HG22 VAL A 436 -0.146 -2.441 -0.447 1.00 31.22 H new ATOM 0 HG23 VAL A 436 1.505 -2.137 0.145 1.00 31.22 H new ATOM 665 N PHE A 437 -1.989 -2.282 4.197 1.00 20.23 N ATOM 666 CA PHE A 437 -3.146 -2.744 5.030 1.00 34.00 C ATOM 667 C PHE A 437 -4.482 -2.284 4.432 1.00 34.04 C ATOM 668 O PHE A 437 -4.531 -1.191 3.881 1.00 21.24 O ATOM 669 CB PHE A 437 -3.093 -2.274 6.504 1.00 34.31 C ATOM 670 CG PHE A 437 -2.335 -3.187 7.454 1.00 12.00 C ATOM 671 CD1 PHE A 437 -2.890 -4.388 7.924 1.00 73.21 C ATOM 672 CD2 PHE A 437 -1.078 -2.823 7.917 1.00 32.14 C ATOM 673 CE1 PHE A 437 -2.188 -5.189 8.830 1.00 45.33 C ATOM 674 CE2 PHE A 437 -0.385 -3.621 8.809 1.00 53.42 C ATOM 675 CZ PHE A 437 -0.942 -4.799 9.263 1.00 30.25 C ATOM 0 H PHE A 437 -2.002 -1.271 4.062 1.00 20.23 H new ATOM 0 HA PHE A 437 -3.069 -3.831 5.022 1.00 34.00 H new ATOM 0 HB2 PHE A 437 -2.636 -1.285 6.536 1.00 34.31 H new ATOM 0 HB3 PHE A 437 -4.114 -2.165 6.870 1.00 34.31 H new ATOM 0 HD1 PHE A 437 -3.867 -4.696 7.583 1.00 73.21 H new ATOM 0 HD2 PHE A 437 -0.633 -1.900 7.575 1.00 32.14 H new ATOM 0 HE1 PHE A 437 -2.622 -6.110 9.188 1.00 45.33 H new ATOM 0 HE2 PHE A 437 0.595 -3.321 9.151 1.00 53.42 H new ATOM 0 HZ PHE A 437 -0.397 -5.417 9.961 1.00 30.25 H new ATOM 866 N GLY A 449 -3.640 0.055 -2.338 1.00 73.31 N ATOM 867 CA GLY A 449 -2.648 0.644 -1.369 1.00 55.30 C ATOM 868 C GLY A 449 -2.524 2.177 -1.306 1.00 41.55 C ATOM 869 O GLY A 449 -3.210 2.888 -2.041 1.00 52.21 O ATOM 0 HA2 GLY A 449 -2.904 0.288 -0.371 1.00 55.30 H new ATOM 0 HA3 GLY A 449 -1.665 0.239 -1.609 1.00 55.30 H new ATOM 873 N PHE A 450 -1.627 2.667 -0.386 1.00 22.41 N ATOM 874 CA PHE A 450 -1.449 4.140 -0.139 1.00 2.33 C ATOM 875 C PHE A 450 -0.003 4.668 -0.575 1.00 50.02 C ATOM 876 O PHE A 450 0.977 4.244 0.043 1.00 43.23 O ATOM 877 CB PHE A 450 -1.682 4.361 1.408 1.00 44.12 C ATOM 878 CG PHE A 450 -3.088 4.217 1.918 1.00 4.43 C ATOM 879 CD1 PHE A 450 -3.719 3.003 1.926 1.00 72.12 C ATOM 880 CD2 PHE A 450 -3.777 5.307 2.438 1.00 62.01 C ATOM 881 CE1 PHE A 450 -4.973 2.863 2.410 1.00 3.22 C ATOM 882 CE2 PHE A 450 -5.050 5.161 2.935 1.00 43.30 C ATOM 883 CZ PHE A 450 -5.652 3.939 2.921 1.00 15.13 C ATOM 0 H PHE A 450 -1.026 2.074 0.187 1.00 22.41 H new ATOM 0 HA PHE A 450 -2.158 4.706 -0.742 1.00 2.33 H new ATOM 0 HB2 PHE A 450 -1.052 3.654 1.949 1.00 44.12 H new ATOM 0 HB3 PHE A 450 -1.331 5.361 1.663 1.00 44.12 H new ATOM 0 HD1 PHE A 450 -3.204 2.137 1.537 1.00 72.12 H new ATOM 0 HD2 PHE A 450 -3.307 6.279 2.452 1.00 62.01 H new ATOM 0 HE1 PHE A 450 -5.446 1.892 2.394 1.00 3.22 H new ATOM 0 HE2 PHE A 450 -5.574 6.016 3.337 1.00 43.30 H new ATOM 0 HZ PHE A 450 -6.653 3.819 3.308 1.00 15.13 H new ATOM 893 N VAL A 451 0.148 5.583 -1.639 1.00 62.13 N ATOM 894 CA VAL A 451 1.438 6.341 -1.872 1.00 54.53 C ATOM 895 C VAL A 451 1.105 7.866 -1.899 1.00 21.14 C ATOM 896 O VAL A 451 0.202 8.257 -2.639 1.00 55.33 O ATOM 897 CB VAL A 451 2.171 6.042 -3.250 1.00 21.41 C ATOM 898 CG1 VAL A 451 3.655 5.726 -3.084 1.00 51.35 C ATOM 899 CG2 VAL A 451 1.487 5.010 -4.112 1.00 62.22 C ATOM 0 H VAL A 451 -0.588 5.794 -2.313 1.00 62.13 H new ATOM 0 HA VAL A 451 2.103 6.024 -1.068 1.00 54.53 H new ATOM 0 HB VAL A 451 2.094 6.984 -3.792 1.00 21.41 H new ATOM 0 HG11 VAL A 451 4.097 5.531 -4.061 1.00 51.35 H new ATOM 0 HG12 VAL A 451 4.158 6.575 -2.621 1.00 51.35 H new ATOM 0 HG13 VAL A 451 3.771 4.846 -2.451 1.00 51.35 H new ATOM 0 HG21 VAL A 451 2.055 4.869 -5.031 1.00 62.22 H new ATOM 0 HG22 VAL A 451 1.430 4.065 -3.572 1.00 62.22 H new ATOM 0 HG23 VAL A 451 0.480 5.349 -4.356 1.00 62.22 H new ATOM 909 N SER A 452 1.771 8.745 -1.098 1.00 64.22 N ATOM 910 CA SER A 452 1.438 10.169 -1.104 1.00 54.15 C ATOM 911 C SER A 452 2.760 11.069 -1.264 1.00 45.02 C ATOM 912 O SER A 452 3.770 10.752 -0.624 1.00 74.45 O ATOM 913 CB SER A 452 0.639 10.435 0.202 1.00 64.43 C ATOM 914 OG SER A 452 -0.167 9.313 0.538 1.00 43.31 O ATOM 0 H SER A 452 2.522 8.485 -0.459 1.00 64.22 H new ATOM 0 HA SER A 452 0.823 10.448 -1.959 1.00 54.15 H new ATOM 0 HB2 SER A 452 1.329 10.650 1.018 1.00 64.43 H new ATOM 0 HB3 SER A 452 0.010 11.316 0.076 1.00 64.43 H new ATOM 0 HG SER A 452 -1.091 9.478 0.257 1.00 43.31 H new ATOM 920 N TYR A 453 2.763 12.188 -2.110 1.00 61.02 N ATOM 921 CA TYR A 453 4.009 13.035 -2.390 1.00 63.15 C ATOM 922 C TYR A 453 3.886 14.477 -1.775 1.00 24.24 C ATOM 923 O TYR A 453 2.853 14.784 -1.178 1.00 51.32 O ATOM 924 CB TYR A 453 4.226 13.245 -3.917 1.00 71.25 C ATOM 925 CG TYR A 453 4.645 12.063 -4.796 1.00 11.24 C ATOM 926 CD1 TYR A 453 5.892 11.389 -4.743 1.00 5.21 C ATOM 927 CD2 TYR A 453 3.741 11.637 -5.737 1.00 4.12 C ATOM 928 CE1 TYR A 453 6.153 10.332 -5.605 1.00 11.54 C ATOM 929 CE2 TYR A 453 3.994 10.603 -6.587 1.00 71.01 C ATOM 930 CZ TYR A 453 5.193 9.945 -6.525 1.00 63.44 C ATOM 931 OH TYR A 453 5.426 8.901 -7.382 1.00 22.40 O ATOM 0 H TYR A 453 1.930 12.516 -2.599 1.00 61.02 H new ATOM 0 HA TYR A 453 4.837 12.485 -1.942 1.00 63.15 H new ATOM 0 HB2 TYR A 453 3.296 13.641 -4.326 1.00 71.25 H new ATOM 0 HB3 TYR A 453 4.982 14.021 -4.034 1.00 71.25 H new ATOM 0 HD1 TYR A 453 6.641 11.699 -4.030 1.00 5.21 H new ATOM 0 HD2 TYR A 453 2.789 12.143 -5.806 1.00 4.12 H new ATOM 0 HE1 TYR A 453 7.100 9.814 -5.558 1.00 11.54 H new ATOM 0 HE2 TYR A 453 3.249 10.303 -7.309 1.00 71.01 H new ATOM 0 HH TYR A 453 6.311 8.520 -7.201 1.00 22.40 H new ATOM 941 N ASP A 454 4.942 15.375 -1.922 1.00 73.11 N ATOM 942 CA ASP A 454 4.939 16.690 -1.230 1.00 0.31 C ATOM 943 C ASP A 454 4.205 17.867 -1.983 1.00 30.14 C ATOM 944 O ASP A 454 3.691 18.751 -1.301 1.00 32.20 O ATOM 945 CB ASP A 454 6.385 17.162 -0.896 1.00 75.43 C ATOM 946 CG ASP A 454 6.451 18.176 0.235 1.00 45.11 C ATOM 947 OD1 ASP A 454 6.339 17.767 1.411 1.00 32.43 O ATOM 948 OD2 ASP A 454 6.663 19.377 -0.055 1.00 21.44 O ATOM 0 H ASP A 454 5.766 15.200 -2.497 1.00 73.11 H new ATOM 0 HA ASP A 454 4.362 16.487 -0.328 1.00 0.31 H new ATOM 0 HB2 ASP A 454 6.989 16.294 -0.630 1.00 75.43 H new ATOM 0 HB3 ASP A 454 6.831 17.598 -1.790 1.00 75.43 H new ATOM 953 N ASN A 455 4.100 17.898 -3.356 1.00 34.24 N ATOM 954 CA ASN A 455 3.517 19.106 -4.038 1.00 41.23 C ATOM 955 C ASN A 455 2.790 18.840 -5.385 1.00 51.33 C ATOM 956 O ASN A 455 3.319 18.062 -6.176 1.00 24.35 O ATOM 957 CB ASN A 455 4.495 20.316 -4.079 1.00 33.11 C ATOM 958 CG ASN A 455 5.954 20.129 -4.552 1.00 51.23 C ATOM 959 OD1 ASN A 455 6.583 21.117 -4.934 1.00 53.23 O ATOM 960 ND2 ASN A 455 6.524 18.926 -4.569 1.00 21.21 N ATOM 0 H ASN A 455 4.393 17.146 -3.980 1.00 34.24 H new ATOM 0 HA ASN A 455 2.699 19.400 -3.381 1.00 41.23 H new ATOM 0 HB2 ASN A 455 4.043 21.073 -4.720 1.00 33.11 H new ATOM 0 HB3 ASN A 455 4.534 20.733 -3.072 1.00 33.11 H new ATOM 0 HD21 ASN A 455 7.483 18.821 -4.899 1.00 21.21 H new ATOM 0 HD22 ASN A 455 6.001 18.109 -4.252 1.00 21.21 H new ATOM 967 N PRO A 456 1.517 19.447 -5.647 1.00 53.20 N ATOM 968 CA PRO A 456 0.632 19.134 -6.813 1.00 31.12 C ATOM 969 C PRO A 456 1.261 18.967 -8.261 1.00 74.13 C ATOM 970 O PRO A 456 0.620 18.348 -9.115 1.00 0.32 O ATOM 971 CB PRO A 456 -0.481 20.237 -6.766 1.00 62.15 C ATOM 972 CG PRO A 456 -0.142 21.147 -5.659 1.00 63.33 C ATOM 973 CD PRO A 456 0.697 20.324 -4.745 1.00 55.11 C ATOM 0 HA PRO A 456 0.280 18.111 -6.682 1.00 31.12 H new ATOM 0 HB2 PRO A 456 -0.526 20.779 -7.710 1.00 62.15 H new ATOM 0 HB3 PRO A 456 -1.462 19.788 -6.609 1.00 62.15 H new ATOM 0 HG2 PRO A 456 0.401 22.022 -6.016 1.00 63.33 H new ATOM 0 HG3 PRO A 456 -1.038 21.511 -5.156 1.00 63.33 H new ATOM 0 HD2 PRO A 456 1.333 20.952 -4.122 1.00 55.11 H new ATOM 0 HD3 PRO A 456 0.079 19.729 -4.072 1.00 55.11 H new ATOM 981 N VAL A 457 2.512 19.457 -8.536 1.00 52.04 N ATOM 982 CA VAL A 457 3.170 19.273 -9.889 1.00 45.21 C ATOM 983 C VAL A 457 3.655 17.775 -10.091 1.00 41.44 C ATOM 984 O VAL A 457 3.559 17.248 -11.205 1.00 75.14 O ATOM 985 CB VAL A 457 4.351 20.320 -10.161 1.00 1.43 C ATOM 986 CG1 VAL A 457 5.063 20.101 -11.516 1.00 53.50 C ATOM 987 CG2 VAL A 457 3.857 21.779 -10.198 1.00 71.21 C ATOM 0 H VAL A 457 3.079 19.971 -7.862 1.00 52.04 H new ATOM 0 HA VAL A 457 2.406 19.485 -10.637 1.00 45.21 H new ATOM 0 HB VAL A 457 5.032 20.147 -9.328 1.00 1.43 H new ATOM 0 HG11 VAL A 457 5.852 20.844 -11.637 1.00 53.50 H new ATOM 0 HG12 VAL A 457 5.498 19.102 -11.541 1.00 53.50 H new ATOM 0 HG13 VAL A 457 4.342 20.203 -12.327 1.00 53.50 H new ATOM 0 HG21 VAL A 457 4.700 22.444 -10.386 1.00 71.21 H new ATOM 0 HG22 VAL A 457 3.120 21.894 -10.993 1.00 71.21 H new ATOM 0 HG23 VAL A 457 3.401 22.033 -9.241 1.00 71.21 H new ATOM 997 N SER A 458 4.104 17.056 -9.009 1.00 12.11 N ATOM 998 CA SER A 458 4.597 15.639 -9.159 1.00 60.34 C ATOM 999 C SER A 458 3.457 14.567 -9.361 1.00 24.14 C ATOM 1000 O SER A 458 3.740 13.469 -9.850 1.00 20.24 O ATOM 1001 CB SER A 458 5.560 15.205 -8.005 1.00 64.15 C ATOM 1002 OG SER A 458 5.025 15.487 -6.726 1.00 70.34 O ATOM 0 H SER A 458 4.136 17.417 -8.056 1.00 12.11 H new ATOM 0 HA SER A 458 5.166 15.661 -10.089 1.00 60.34 H new ATOM 0 HB2 SER A 458 5.761 14.137 -8.085 1.00 64.15 H new ATOM 0 HB3 SER A 458 6.515 15.719 -8.119 1.00 64.15 H new ATOM 0 HG SER A 458 5.658 15.199 -6.036 1.00 70.34 H new ATOM 1008 N ALA A 459 2.178 14.877 -9.003 1.00 24.41 N ATOM 1009 CA ALA A 459 1.037 13.933 -9.215 1.00 54.32 C ATOM 1010 C ALA A 459 0.575 13.881 -10.697 1.00 45.10 C ATOM 1011 O ALA A 459 0.101 12.840 -11.155 1.00 42.35 O ATOM 1012 CB ALA A 459 -0.164 14.179 -8.293 1.00 11.35 C ATOM 0 H ALA A 459 1.911 15.762 -8.571 1.00 24.41 H new ATOM 0 HA ALA A 459 1.445 12.959 -8.943 1.00 54.32 H new ATOM 0 HB1 ALA A 459 -0.946 13.452 -8.512 1.00 11.35 H new ATOM 0 HB2 ALA A 459 0.148 14.074 -7.254 1.00 11.35 H new ATOM 0 HB3 ALA A 459 -0.548 15.186 -8.457 1.00 11.35 H new ATOM 1018 N GLN A 460 0.732 15.009 -11.444 1.00 23.55 N ATOM 1019 CA GLN A 460 0.330 15.096 -12.881 1.00 63.52 C ATOM 1020 C GLN A 460 1.219 14.207 -13.791 1.00 73.31 C ATOM 1021 O GLN A 460 0.701 13.601 -14.737 1.00 70.53 O ATOM 1022 CB GLN A 460 0.311 16.580 -13.403 1.00 1.35 C ATOM 1023 CG GLN A 460 -0.684 17.540 -12.677 1.00 52.53 C ATOM 1024 CD GLN A 460 -0.215 18.968 -12.639 1.00 33.42 C ATOM 1025 OE1 GLN A 460 0.985 19.253 -12.657 1.00 72.53 O ATOM 1026 NE2 GLN A 460 -1.167 19.877 -12.536 1.00 53.23 N ATOM 0 H GLN A 460 1.134 15.872 -11.077 1.00 23.55 H new ATOM 0 HA GLN A 460 -0.689 14.713 -12.934 1.00 63.52 H new ATOM 0 HB2 GLN A 460 1.316 16.991 -13.311 1.00 1.35 H new ATOM 0 HB3 GLN A 460 0.067 16.569 -14.465 1.00 1.35 H new ATOM 0 HG2 GLN A 460 -1.651 17.496 -13.178 1.00 52.53 H new ATOM 0 HG3 GLN A 460 -0.838 17.188 -11.657 1.00 52.53 H new ATOM 0 HE21 GLN A 460 -2.146 19.591 -12.526 1.00 53.23 H new ATOM 0 HE22 GLN A 460 -0.923 20.865 -12.467 1.00 53.23 H new ATOM 1035 N ALA A 461 2.539 14.111 -13.511 1.00 22.14 N ATOM 1036 CA ALA A 461 3.421 13.208 -14.285 1.00 13.42 C ATOM 1037 C ALA A 461 3.227 11.697 -13.950 1.00 60.44 C ATOM 1038 O ALA A 461 3.333 10.882 -14.872 1.00 53.20 O ATOM 1039 CB ALA A 461 4.911 13.621 -14.224 1.00 23.23 C ATOM 0 H ALA A 461 3.009 14.635 -12.772 1.00 22.14 H new ATOM 0 HA ALA A 461 3.098 13.330 -15.319 1.00 13.42 H new ATOM 0 HB1 ALA A 461 5.507 12.921 -14.810 1.00 23.23 H new ATOM 0 HB2 ALA A 461 5.027 14.626 -14.631 1.00 23.23 H new ATOM 0 HB3 ALA A 461 5.250 13.607 -13.188 1.00 23.23 H new ATOM 1045 N ALA A 462 2.944 11.298 -12.668 1.00 3.12 N ATOM 1046 CA ALA A 462 2.693 9.871 -12.363 1.00 52.11 C ATOM 1047 C ALA A 462 1.382 9.310 -12.947 1.00 63.41 C ATOM 1048 O ALA A 462 1.406 8.173 -13.372 1.00 53.02 O ATOM 1049 CB ALA A 462 2.827 9.522 -10.863 1.00 1.01 C ATOM 0 H ALA A 462 2.888 11.926 -11.866 1.00 3.12 H new ATOM 0 HA ALA A 462 3.502 9.362 -12.887 1.00 52.11 H new ATOM 0 HB1 ALA A 462 2.629 8.460 -10.717 1.00 1.01 H new ATOM 0 HB2 ALA A 462 3.837 9.753 -10.525 1.00 1.01 H new ATOM 0 HB3 ALA A 462 2.109 10.107 -10.288 1.00 1.01 H new ATOM 1055 N ILE A 463 0.252 10.081 -13.004 1.00 34.32 N ATOM 1056 CA ILE A 463 -1.006 9.568 -13.570 1.00 64.22 C ATOM 1057 C ILE A 463 -0.797 9.141 -15.070 1.00 43.31 C ATOM 1058 O ILE A 463 -1.313 8.104 -15.433 1.00 74.23 O ATOM 1059 CB ILE A 463 -2.230 10.575 -13.322 1.00 74.31 C ATOM 1060 CG1 ILE A 463 -2.520 10.721 -11.758 1.00 53.01 C ATOM 1061 CG2 ILE A 463 -3.525 10.172 -14.088 1.00 44.42 C ATOM 1062 CD1 ILE A 463 -3.629 11.702 -11.322 1.00 24.40 C ATOM 0 H ILE A 463 0.201 11.042 -12.667 1.00 34.32 H new ATOM 0 HA ILE A 463 -1.295 8.662 -13.038 1.00 64.22 H new ATOM 0 HB ILE A 463 -1.926 11.541 -13.726 1.00 74.31 H new ATOM 0 HG12 ILE A 463 -2.774 9.734 -11.371 1.00 53.01 H new ATOM 0 HG13 ILE A 463 -1.593 11.025 -11.272 1.00 53.01 H new ATOM 0 HG21 ILE A 463 -4.313 10.895 -13.876 1.00 44.42 H new ATOM 0 HG22 ILE A 463 -3.324 10.157 -15.159 1.00 44.42 H new ATOM 0 HG23 ILE A 463 -3.845 9.181 -13.765 1.00 44.42 H new ATOM 0 HD11 ILE A 463 -3.713 11.696 -10.235 1.00 24.40 H new ATOM 0 HD12 ILE A 463 -3.379 12.707 -11.661 1.00 24.40 H new ATOM 0 HD13 ILE A 463 -4.579 11.396 -11.761 1.00 24.40 H new ATOM 1074 N GLN A 464 0.032 9.867 -15.903 1.00 12.41 N ATOM 1075 CA GLN A 464 0.422 9.362 -17.275 1.00 12.11 C ATOM 1076 C GLN A 464 1.222 7.993 -17.280 1.00 4.01 C ATOM 1077 O GLN A 464 0.790 7.060 -17.948 1.00 41.14 O ATOM 1078 CB GLN A 464 1.210 10.451 -18.113 1.00 42.25 C ATOM 1079 CG GLN A 464 0.412 11.323 -19.130 1.00 21.13 C ATOM 1080 CD GLN A 464 -0.944 11.937 -18.683 1.00 13.11 C ATOM 1081 OE1 GLN A 464 -1.990 11.302 -18.821 1.00 40.05 O ATOM 1082 NE2 GLN A 464 -0.936 13.200 -18.203 1.00 3.11 N ATOM 0 H GLN A 464 0.431 10.773 -15.659 1.00 12.41 H new ATOM 0 HA GLN A 464 -0.535 9.159 -17.756 1.00 12.11 H new ATOM 0 HB2 GLN A 464 1.697 11.125 -17.408 1.00 42.25 H new ATOM 0 HB3 GLN A 464 2.000 9.940 -18.662 1.00 42.25 H new ATOM 0 HG2 GLN A 464 1.059 12.143 -19.442 1.00 21.13 H new ATOM 0 HG3 GLN A 464 0.223 10.712 -20.013 1.00 21.13 H new ATOM 0 HE21 GLN A 464 -0.053 13.701 -18.100 1.00 3.11 H new ATOM 0 HE22 GLN A 464 -1.813 13.653 -17.944 1.00 3.11 H new ATOM 1091 N ALA A 465 2.377 7.869 -16.577 1.00 65.43 N ATOM 1092 CA ALA A 465 3.229 6.604 -16.622 1.00 3.42 C ATOM 1093 C ALA A 465 2.732 5.398 -15.696 1.00 51.40 C ATOM 1094 O ALA A 465 3.340 4.322 -15.691 1.00 54.34 O ATOM 1095 CB ALA A 465 4.726 6.933 -16.366 1.00 40.52 C ATOM 0 H ALA A 465 2.753 8.603 -15.976 1.00 65.43 H new ATOM 0 HA ALA A 465 3.105 6.227 -17.637 1.00 3.42 H new ATOM 0 HB1 ALA A 465 5.312 6.015 -16.403 1.00 40.52 H new ATOM 0 HB2 ALA A 465 5.083 7.622 -17.131 1.00 40.52 H new ATOM 0 HB3 ALA A 465 4.835 7.393 -15.384 1.00 40.52 H new ATOM 1101 N MET A 466 1.631 5.612 -14.947 1.00 21.54 N ATOM 1102 CA MET A 466 1.034 4.672 -13.932 1.00 24.02 C ATOM 1103 C MET A 466 -0.422 4.283 -14.286 1.00 33.21 C ATOM 1104 O MET A 466 -0.937 3.317 -13.711 1.00 60.33 O ATOM 1105 CB MET A 466 1.089 5.230 -12.464 1.00 44.34 C ATOM 1106 CG MET A 466 2.394 4.996 -11.674 1.00 13.41 C ATOM 1107 SD MET A 466 3.914 5.511 -12.499 1.00 41.42 S ATOM 1108 CE MET A 466 5.120 4.689 -11.454 1.00 42.33 C ATOM 0 H MET A 466 1.098 6.478 -15.024 1.00 21.54 H new ATOM 0 HA MET A 466 1.659 3.780 -13.971 1.00 24.02 H new ATOM 0 HB2 MET A 466 0.904 6.304 -12.503 1.00 44.34 H new ATOM 0 HB3 MET A 466 0.268 4.785 -11.902 1.00 44.34 H new ATOM 0 HG2 MET A 466 2.321 5.525 -10.724 1.00 13.41 H new ATOM 0 HG3 MET A 466 2.471 3.934 -11.442 1.00 13.41 H new ATOM 0 HE1 MET A 466 6.124 4.901 -11.821 1.00 42.33 H new ATOM 0 HE2 MET A 466 5.024 5.053 -10.431 1.00 42.33 H new ATOM 0 HE3 MET A 466 4.946 3.613 -11.474 1.00 42.33 H new ATOM 1118 N ASN A 467 -1.120 4.992 -15.211 1.00 64.23 N ATOM 1119 CA ASN A 467 -2.317 4.396 -15.793 1.00 1.22 C ATOM 1120 C ASN A 467 -1.809 3.347 -16.859 1.00 62.21 C ATOM 1121 O ASN A 467 -0.927 3.689 -17.648 1.00 70.33 O ATOM 1122 CB ASN A 467 -3.379 5.425 -16.368 1.00 34.13 C ATOM 1123 CG ASN A 467 -2.961 6.502 -17.388 1.00 62.31 C ATOM 1124 OD1 ASN A 467 -3.492 7.610 -17.338 1.00 51.14 O ATOM 1125 ND2 ASN A 467 -2.099 6.219 -18.352 1.00 54.22 N ATOM 0 H ASN A 467 -0.881 5.925 -15.546 1.00 64.23 H new ATOM 0 HA ASN A 467 -2.899 3.913 -15.008 1.00 1.22 H new ATOM 0 HB2 ASN A 467 -4.175 4.840 -16.828 1.00 34.13 H new ATOM 0 HB3 ASN A 467 -3.817 5.944 -15.515 1.00 34.13 H new ATOM 0 HD21 ASN A 467 -1.873 6.921 -19.057 1.00 54.22 H new ATOM 0 HD22 ASN A 467 -1.661 5.299 -18.390 1.00 54.22 H new ATOM 1132 N GLY A 468 -2.278 2.075 -16.874 1.00 22.12 N ATOM 1133 CA GLY A 468 -1.754 1.114 -17.879 1.00 72.12 C ATOM 1134 C GLY A 468 -0.667 0.084 -17.501 1.00 33.44 C ATOM 1135 O GLY A 468 -0.340 -0.695 -18.389 1.00 74.24 O ATOM 0 H GLY A 468 -2.982 1.703 -16.237 1.00 22.12 H new ATOM 0 HA2 GLY A 468 -2.607 0.553 -18.260 1.00 72.12 H new ATOM 0 HA3 GLY A 468 -1.363 1.702 -18.709 1.00 72.12 H new ATOM 1139 N PHE A 469 -0.108 0.007 -16.269 1.00 65.03 N ATOM 1140 CA PHE A 469 1.174 -0.750 -16.101 1.00 34.30 C ATOM 1141 C PHE A 469 0.888 -2.301 -16.141 1.00 53.24 C ATOM 1142 O PHE A 469 0.286 -2.840 -15.211 1.00 11.02 O ATOM 1143 CB PHE A 469 1.931 -0.334 -14.775 1.00 75.51 C ATOM 1144 CG PHE A 469 3.479 -0.301 -14.853 1.00 25.12 C ATOM 1145 CD1 PHE A 469 4.229 -1.437 -15.168 1.00 11.33 C ATOM 1146 CD2 PHE A 469 4.194 0.871 -14.567 1.00 0.03 C ATOM 1147 CE1 PHE A 469 5.629 -1.402 -15.202 1.00 35.32 C ATOM 1148 CE2 PHE A 469 5.588 0.900 -14.606 1.00 22.13 C ATOM 1149 CZ PHE A 469 6.297 -0.235 -14.918 1.00 64.21 C ATOM 0 H PHE A 469 -0.488 0.428 -15.421 1.00 65.03 H new ATOM 0 HA PHE A 469 1.835 -0.496 -16.930 1.00 34.30 H new ATOM 0 HB2 PHE A 469 1.582 0.654 -14.477 1.00 75.51 H new ATOM 0 HB3 PHE A 469 1.642 -1.026 -13.984 1.00 75.51 H new ATOM 0 HD1 PHE A 469 3.718 -2.362 -15.390 1.00 11.33 H new ATOM 0 HD2 PHE A 469 3.654 1.770 -14.311 1.00 0.03 H new ATOM 0 HE1 PHE A 469 6.184 -2.294 -15.452 1.00 35.32 H new ATOM 0 HE2 PHE A 469 6.113 1.819 -14.390 1.00 22.13 H new ATOM 0 HZ PHE A 469 7.376 -0.210 -14.940 1.00 64.21 H new ATOM 1159 N GLN A 470 1.318 -3.007 -17.231 1.00 21.23 N ATOM 1160 CA GLN A 470 0.926 -4.416 -17.495 1.00 15.51 C ATOM 1161 C GLN A 470 2.094 -5.419 -17.126 1.00 35.34 C ATOM 1162 O GLN A 470 3.184 -5.312 -17.699 1.00 33.51 O ATOM 1163 CB GLN A 470 0.566 -4.436 -19.026 1.00 43.01 C ATOM 1164 CG GLN A 470 -0.028 -5.713 -19.698 1.00 1.44 C ATOM 1165 CD GLN A 470 -1.525 -5.626 -19.943 1.00 64.41 C ATOM 1166 OE1 GLN A 470 -1.958 -5.006 -20.914 1.00 70.10 O ATOM 1167 NE2 GLN A 470 -2.327 -6.325 -19.142 1.00 12.23 N ATOM 0 H GLN A 470 1.938 -2.615 -17.940 1.00 21.23 H new ATOM 0 HA GLN A 470 0.086 -4.744 -16.883 1.00 15.51 H new ATOM 0 HB2 GLN A 470 -0.144 -3.626 -19.197 1.00 43.01 H new ATOM 0 HB3 GLN A 470 1.476 -4.183 -19.571 1.00 43.01 H new ATOM 0 HG2 GLN A 470 0.479 -5.884 -20.648 1.00 1.44 H new ATOM 0 HG3 GLN A 470 0.180 -6.577 -19.066 1.00 1.44 H new ATOM 0 HE21 GLN A 470 -1.938 -6.829 -18.345 1.00 12.23 H new ATOM 0 HE22 GLN A 470 -3.330 -6.357 -19.326 1.00 12.23 H new ATOM 1176 N ILE A 471 1.862 -6.388 -16.163 1.00 71.11 N ATOM 1177 CA ILE A 471 2.937 -7.304 -15.599 1.00 51.13 C ATOM 1178 C ILE A 471 2.288 -8.705 -15.302 1.00 2.43 C ATOM 1179 O ILE A 471 1.727 -8.863 -14.204 1.00 53.35 O ATOM 1180 CB ILE A 471 3.549 -6.767 -14.207 1.00 11.15 C ATOM 1181 CG1 ILE A 471 3.499 -5.215 -14.159 1.00 71.23 C ATOM 1182 CG2 ILE A 471 4.987 -7.249 -13.954 1.00 22.11 C ATOM 1183 CD1 ILE A 471 4.025 -4.521 -12.899 1.00 32.34 C ATOM 0 H ILE A 471 0.940 -6.555 -15.761 1.00 71.11 H new ATOM 0 HA ILE A 471 3.738 -7.352 -16.336 1.00 51.13 H new ATOM 0 HB ILE A 471 2.928 -7.185 -13.415 1.00 11.15 H new ATOM 0 HG12 ILE A 471 4.064 -4.835 -15.011 1.00 71.23 H new ATOM 0 HG13 ILE A 471 2.463 -4.909 -14.302 1.00 71.23 H new ATOM 0 HG21 ILE A 471 5.341 -6.854 -13.002 1.00 22.11 H new ATOM 0 HG22 ILE A 471 5.006 -8.338 -13.924 1.00 22.11 H new ATOM 0 HG23 ILE A 471 5.635 -6.897 -14.757 1.00 22.11 H new ATOM 0 HD11 ILE A 471 3.926 -3.441 -13.010 1.00 32.34 H new ATOM 0 HD12 ILE A 471 3.449 -4.851 -12.034 1.00 32.34 H new ATOM 0 HD13 ILE A 471 5.075 -4.776 -12.754 1.00 32.34 H new ATOM 1195 N GLY A 472 2.316 -9.715 -16.240 1.00 45.33 N ATOM 1196 CA GLY A 472 1.632 -10.997 -15.978 1.00 33.13 C ATOM 1197 C GLY A 472 0.067 -10.843 -15.939 1.00 23.31 C ATOM 1198 O GLY A 472 -0.490 -10.113 -16.761 1.00 52.40 O ATOM 0 H GLY A 472 2.789 -9.655 -17.142 1.00 45.33 H new ATOM 0 HA2 GLY A 472 1.905 -11.716 -16.750 1.00 33.13 H new ATOM 0 HA3 GLY A 472 1.978 -11.403 -15.028 1.00 33.13 H new ATOM 1202 N MET A 473 -0.633 -11.512 -14.993 1.00 44.21 N ATOM 1203 CA MET A 473 -2.172 -11.505 -14.921 1.00 3.31 C ATOM 1204 C MET A 473 -2.845 -10.342 -14.067 1.00 31.23 C ATOM 1205 O MET A 473 -3.931 -10.546 -13.512 1.00 31.51 O ATOM 1206 CB MET A 473 -2.717 -12.927 -14.499 1.00 75.13 C ATOM 1207 CG MET A 473 -2.448 -13.417 -13.058 1.00 32.25 C ATOM 1208 SD MET A 473 -3.136 -15.054 -12.735 1.00 54.52 S ATOM 1209 CE MET A 473 -2.640 -15.266 -11.026 1.00 22.12 C ATOM 0 H MET A 473 -0.191 -12.068 -14.261 1.00 44.21 H new ATOM 0 HA MET A 473 -2.483 -11.271 -15.939 1.00 3.31 H new ATOM 0 HB2 MET A 473 -3.796 -12.929 -14.655 1.00 75.13 H new ATOM 0 HB3 MET A 473 -2.294 -13.662 -15.184 1.00 75.13 H new ATOM 0 HG2 MET A 473 -1.373 -13.439 -12.882 1.00 32.25 H new ATOM 0 HG3 MET A 473 -2.873 -12.704 -12.352 1.00 32.25 H new ATOM 0 HE1 MET A 473 -2.987 -16.234 -10.664 1.00 22.12 H new ATOM 0 HE2 MET A 473 -1.553 -15.220 -10.954 1.00 22.12 H new ATOM 0 HE3 MET A 473 -3.078 -14.474 -10.419 1.00 22.12 H new ATOM 1219 N LYS A 474 -2.235 -9.118 -13.984 1.00 32.44 N ATOM 1220 CA LYS A 474 -2.892 -7.907 -13.401 1.00 34.14 C ATOM 1221 C LYS A 474 -2.502 -6.664 -14.247 1.00 11.33 C ATOM 1222 O LYS A 474 -1.393 -6.621 -14.791 1.00 42.25 O ATOM 1223 CB LYS A 474 -2.477 -7.570 -11.915 1.00 71.50 C ATOM 1224 CG LYS A 474 -3.037 -8.421 -10.728 1.00 0.23 C ATOM 1225 CD LYS A 474 -4.395 -7.930 -10.236 1.00 14.10 C ATOM 1226 CE LYS A 474 -4.981 -8.783 -9.094 1.00 42.13 C ATOM 1227 NZ LYS A 474 -3.917 -9.278 -8.186 1.00 11.25 N ATOM 0 H LYS A 474 -1.286 -8.947 -14.316 1.00 32.44 H new ATOM 0 HA LYS A 474 -3.958 -8.135 -13.408 1.00 34.14 H new ATOM 0 HB2 LYS A 474 -1.389 -7.621 -11.864 1.00 71.50 H new ATOM 0 HB3 LYS A 474 -2.756 -6.533 -11.729 1.00 71.50 H new ATOM 0 HG2 LYS A 474 -3.124 -9.461 -11.042 1.00 0.23 H new ATOM 0 HG3 LYS A 474 -2.326 -8.396 -9.902 1.00 0.23 H new ATOM 0 HD2 LYS A 474 -4.298 -6.899 -9.896 1.00 14.10 H new ATOM 0 HD3 LYS A 474 -5.095 -7.925 -11.071 1.00 14.10 H new ATOM 0 HE2 LYS A 474 -5.699 -8.190 -8.527 1.00 42.13 H new ATOM 0 HE3 LYS A 474 -5.526 -9.629 -9.513 1.00 42.13 H new ATOM 0 HZ1 LYS A 474 -4.348 -9.640 -7.311 1.00 11.25 H new ATOM 0 HZ2 LYS A 474 -3.389 -10.042 -8.654 1.00 11.25 H new ATOM 0 HZ3 LYS A 474 -3.267 -8.499 -7.955 1.00 11.25 H new ATOM 1241 N ARG A 475 -3.401 -5.664 -14.369 1.00 35.33 N ATOM 1242 CA ARG A 475 -2.990 -4.276 -14.686 1.00 2.44 C ATOM 1243 C ARG A 475 -2.942 -3.412 -13.359 1.00 62.12 C ATOM 1244 O ARG A 475 -3.750 -3.658 -12.468 1.00 22.23 O ATOM 1245 CB ARG A 475 -3.991 -3.496 -15.634 1.00 23.32 C ATOM 1246 CG ARG A 475 -4.005 -3.777 -17.139 1.00 55.43 C ATOM 1247 CD ARG A 475 -3.274 -2.647 -17.902 1.00 24.00 C ATOM 1248 NE ARG A 475 -3.312 -2.834 -19.347 1.00 23.41 N ATOM 1249 CZ ARG A 475 -4.161 -2.213 -20.174 1.00 71.03 C ATOM 1250 NH1 ARG A 475 -5.074 -1.360 -19.708 1.00 23.44 N ATOM 1251 NH2 ARG A 475 -4.107 -2.458 -21.474 1.00 35.23 N ATOM 0 H ARG A 475 -4.407 -5.788 -14.254 1.00 35.33 H new ATOM 0 HA ARG A 475 -2.026 -4.387 -15.183 1.00 2.44 H new ATOM 0 HB2 ARG A 475 -4.999 -3.681 -15.262 1.00 23.32 H new ATOM 0 HB3 ARG A 475 -3.794 -2.432 -15.506 1.00 23.32 H new ATOM 0 HG2 ARG A 475 -3.523 -4.733 -17.342 1.00 55.43 H new ATOM 0 HG3 ARG A 475 -5.033 -3.857 -17.492 1.00 55.43 H new ATOM 0 HD2 ARG A 475 -3.730 -1.689 -17.651 1.00 24.00 H new ATOM 0 HD3 ARG A 475 -2.236 -2.602 -17.572 1.00 24.00 H new ATOM 0 HE ARG A 475 -2.643 -3.485 -19.757 1.00 23.41 H new ATOM 0 HH11 ARG A 475 -5.133 -1.172 -18.707 1.00 23.44 H new ATOM 0 HH12 ARG A 475 -5.714 -0.895 -20.352 1.00 23.44 H new ATOM 0 HH21 ARG A 475 -3.421 -3.117 -21.841 1.00 35.23 H new ATOM 0 HH22 ARG A 475 -4.752 -1.987 -22.109 1.00 35.23 H new ATOM 1265 N LEU A 476 -2.011 -2.421 -13.222 1.00 0.03 N ATOM 1266 CA LEU A 476 -2.147 -1.307 -12.224 1.00 72.05 C ATOM 1267 C LEU A 476 -3.334 -0.317 -12.653 1.00 2.41 C ATOM 1268 O LEU A 476 -3.343 0.120 -13.813 1.00 31.52 O ATOM 1269 CB LEU A 476 -0.803 -0.484 -12.156 1.00 72.13 C ATOM 1270 CG LEU A 476 -0.479 0.356 -10.888 1.00 53.25 C ATOM 1271 CD1 LEU A 476 0.263 -0.441 -9.801 1.00 64.14 C ATOM 1272 CD2 LEU A 476 0.362 1.572 -11.235 1.00 34.32 C ATOM 0 H LEU A 476 -1.162 -2.368 -13.785 1.00 0.03 H new ATOM 0 HA LEU A 476 -2.369 -1.742 -11.250 1.00 72.05 H new ATOM 0 HB2 LEU A 476 0.017 -1.187 -12.300 1.00 72.13 H new ATOM 0 HB3 LEU A 476 -0.793 0.195 -13.008 1.00 72.13 H new ATOM 0 HG LEU A 476 -1.449 0.658 -10.493 1.00 53.25 H new ATOM 0 HD11 LEU A 476 0.458 0.205 -8.945 1.00 64.14 H new ATOM 0 HD12 LEU A 476 -0.350 -1.285 -9.486 1.00 64.14 H new ATOM 0 HD13 LEU A 476 1.208 -0.808 -10.201 1.00 64.14 H new ATOM 0 HD21 LEU A 476 0.572 2.140 -10.329 1.00 34.32 H new ATOM 0 HD22 LEU A 476 1.300 1.249 -11.687 1.00 34.32 H new ATOM 0 HD23 LEU A 476 -0.182 2.202 -11.939 1.00 34.32 H new ATOM 1284 N LYS A 477 -4.347 0.034 -11.771 1.00 4.51 N ATOM 1285 CA LYS A 477 -5.373 1.127 -12.137 1.00 34.25 C ATOM 1286 C LYS A 477 -5.370 2.261 -11.017 1.00 70.10 C ATOM 1287 O LYS A 477 -5.752 1.978 -9.887 1.00 24.43 O ATOM 1288 CB LYS A 477 -6.833 0.534 -12.454 1.00 30.54 C ATOM 1289 CG LYS A 477 -8.086 1.509 -12.780 1.00 41.14 C ATOM 1290 CD LYS A 477 -7.749 2.835 -13.510 1.00 74.44 C ATOM 1291 CE LYS A 477 -8.956 3.826 -13.601 1.00 74.12 C ATOM 1292 NZ LYS A 477 -8.479 5.244 -13.582 1.00 33.21 N ATOM 0 H LYS A 477 -4.482 -0.388 -10.852 1.00 4.51 H new ATOM 0 HA LYS A 477 -5.068 1.589 -13.076 1.00 34.25 H new ATOM 0 HB2 LYS A 477 -6.725 -0.139 -13.304 1.00 30.54 H new ATOM 0 HB3 LYS A 477 -7.120 -0.077 -11.598 1.00 30.54 H new ATOM 0 HG2 LYS A 477 -8.802 0.956 -13.388 1.00 41.14 H new ATOM 0 HG3 LYS A 477 -8.585 1.752 -11.842 1.00 41.14 H new ATOM 0 HD2 LYS A 477 -6.925 3.326 -12.992 1.00 74.44 H new ATOM 0 HD3 LYS A 477 -7.401 2.607 -14.517 1.00 74.44 H new ATOM 0 HE2 LYS A 477 -9.519 3.639 -14.516 1.00 74.12 H new ATOM 0 HE3 LYS A 477 -9.637 3.655 -12.767 1.00 74.12 H new ATOM 0 HZ1 LYS A 477 -9.297 5.885 -13.541 1.00 33.21 H new ATOM 0 HZ2 LYS A 477 -7.877 5.397 -12.748 1.00 33.21 H new ATOM 0 HZ3 LYS A 477 -7.931 5.438 -14.444 1.00 33.21 H new ATOM 1306 N VAL A 478 -4.937 3.548 -11.314 1.00 45.13 N ATOM 1307 CA VAL A 478 -4.696 4.587 -10.271 1.00 41.44 C ATOM 1308 C VAL A 478 -5.991 5.476 -10.040 1.00 52.44 C ATOM 1309 O VAL A 478 -6.650 5.826 -11.030 1.00 34.43 O ATOM 1310 CB VAL A 478 -3.394 5.451 -10.689 1.00 33.31 C ATOM 1311 CG1 VAL A 478 -3.457 6.971 -10.532 1.00 52.31 C ATOM 1312 CG2 VAL A 478 -2.130 5.003 -9.960 1.00 63.21 C ATOM 0 H VAL A 478 -4.754 3.870 -12.264 1.00 45.13 H new ATOM 0 HA VAL A 478 -4.492 4.116 -9.309 1.00 41.44 H new ATOM 0 HB VAL A 478 -3.371 5.239 -11.758 1.00 33.31 H new ATOM 0 HG11 VAL A 478 -2.512 7.409 -10.852 1.00 52.31 H new ATOM 0 HG12 VAL A 478 -4.267 7.367 -11.145 1.00 52.31 H new ATOM 0 HG13 VAL A 478 -3.638 7.222 -9.487 1.00 52.31 H new ATOM 0 HG21 VAL A 478 -1.288 5.618 -10.280 1.00 63.21 H new ATOM 0 HG22 VAL A 478 -2.272 5.113 -8.885 1.00 63.21 H new ATOM 0 HG23 VAL A 478 -1.926 3.958 -10.194 1.00 63.21 H new ATOM 1322 N GLN A 479 -6.396 5.800 -8.749 1.00 42.14 N ATOM 1323 CA GLN A 479 -7.589 6.632 -8.470 1.00 64.25 C ATOM 1324 C GLN A 479 -7.255 7.695 -7.356 1.00 62.24 C ATOM 1325 O GLN A 479 -6.698 7.306 -6.336 1.00 40.24 O ATOM 1326 CB GLN A 479 -8.817 5.717 -8.019 1.00 33.12 C ATOM 1327 CG GLN A 479 -8.493 4.597 -7.006 1.00 52.30 C ATOM 1328 CD GLN A 479 -9.283 4.736 -5.718 1.00 33.21 C ATOM 1329 OE1 GLN A 479 -8.874 5.422 -4.786 1.00 52.43 O ATOM 1330 NE2 GLN A 479 -10.410 4.036 -5.641 1.00 52.11 N ATOM 0 H GLN A 479 -5.903 5.490 -7.911 1.00 42.14 H new ATOM 0 HA GLN A 479 -7.872 7.156 -9.383 1.00 64.25 H new ATOM 0 HB2 GLN A 479 -9.583 6.360 -7.586 1.00 33.12 H new ATOM 0 HB3 GLN A 479 -9.250 5.260 -8.909 1.00 33.12 H new ATOM 0 HG2 GLN A 479 -8.708 3.629 -7.458 1.00 52.30 H new ATOM 0 HG3 GLN A 479 -7.427 4.613 -6.779 1.00 52.30 H new ATOM 0 HE21 GLN A 479 -10.719 3.477 -6.436 1.00 52.11 H new ATOM 0 HE22 GLN A 479 -10.967 4.058 -4.786 1.00 52.11 H new