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 433 SER OG : rot 170:sc= -0.533 USER MOD Set 1.2: A 452 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 419 GLN : amide:sc= -1.34 K(o=-3.1,f=-0.25) USER MOD Set 2.2: A 423 GLN : amide:sc= -1.8 K(o=-3.1,f=-0.25) USER MOD Set 3.1: A 398 GLN : amide:sc= -0.281 K(o=-0.29,f=-3.1!) USER MOD Set 3.2: A 435 LYS NZ :NH3+ 180:sc= -0.0121 (180deg=-0.0121) USER MOD Single : A 399 LYS NZ :NH3+ -161:sc= -0.0883 (180deg=-0.477) USER MOD Single : A 406 ASN : amide:sc= 0.421 X(o=0.42,f=0.3) 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) USER MOD Single : A 414 GLN : amide:sc= -1.05 X(o=-1,f=-1.4!) USER MOD Single : A 424 MET CE :methyl -165:sc= -0.462 (180deg=-0.948) USER MOD Single : A 426 MET CE :methyl -174:sc= 0 (180deg=-0.0277) USER MOD Single : A 430 ASN : amide:sc= 0.0111 K(o=0.011,f=-2.2!) USER MOD Single : A 453 TYR OH : rot 22:sc= -0.129 USER MOD Single : A 455 ASN : amide:sc= -0.747 K(o=-0.75,f=0) USER MOD Single : A 458 SER OG : rot 180:sc= 0.00302 USER MOD Single : A 460 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.24) 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= 0.558 K(o=0.56,f=-0.06) USER MOD Single : A 470 GLN : amide:sc= -0.514 K(o=-0.51,f=-1.6) USER MOD Single : A 473 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 474 LYS NZ :NH3+ -116:sc= 0.0627 (180deg=0) USER MOD Single : A 477 LYS NZ :NH3+ 169:sc= 0.312 (180deg=0.169) USER MOD Single : A 479 GLN : amide:sc=-0.00278 K(o=-0.0028,f=-1) USER MOD ----------------------------------------------------------------- ATOM 56 N GLN A 398 0.645 6.793 7.665 1.00 35.43 N ATOM 57 CA GLN A 398 -0.161 7.629 6.707 1.00 60.44 C ATOM 58 C GLN A 398 -0.595 8.984 7.317 1.00 72.54 C ATOM 59 O GLN A 398 -1.647 9.107 7.954 1.00 12.24 O ATOM 60 CB GLN A 398 -1.370 6.834 6.055 1.00 44.51 C ATOM 61 CG GLN A 398 -2.624 7.601 5.426 1.00 64.20 C ATOM 62 CD GLN A 398 -3.282 6.799 4.326 1.00 13.23 C ATOM 63 OE1 GLN A 398 -2.647 5.954 3.700 1.00 50.21 O ATOM 64 NE2 GLN A 398 -4.546 7.108 4.041 1.00 64.52 N ATOM 0 HA GLN A 398 0.512 7.869 5.884 1.00 60.44 H new ATOM 0 HB2 GLN A 398 -0.951 6.209 5.266 1.00 44.51 H new ATOM 0 HB3 GLN A 398 -1.759 6.163 6.821 1.00 44.51 H new ATOM 0 HG2 GLN A 398 -3.353 7.809 6.209 1.00 64.20 H new ATOM 0 HG3 GLN A 398 -2.299 8.563 5.029 1.00 64.20 H new ATOM 0 HE21 GLN A 398 -5.034 7.817 4.589 1.00 64.52 H new ATOM 0 HE22 GLN A 398 -5.026 6.636 3.275 1.00 64.52 H new ATOM 73 N LYS A 399 0.287 9.979 7.192 1.00 23.14 N ATOM 74 CA LYS A 399 -0.076 11.383 7.359 1.00 53.35 C ATOM 75 C LYS A 399 0.158 12.160 6.035 1.00 44.34 C ATOM 76 O LYS A 399 1.285 12.430 5.632 1.00 53.01 O ATOM 77 CB LYS A 399 0.625 12.052 8.587 1.00 1.03 C ATOM 78 CG LYS A 399 2.020 11.518 9.015 1.00 3.11 C ATOM 79 CD LYS A 399 3.111 11.692 7.970 1.00 60.44 C ATOM 80 CE LYS A 399 4.504 11.267 8.501 1.00 53.53 C ATOM 81 NZ LYS A 399 4.869 12.051 9.715 1.00 25.04 N ATOM 0 H LYS A 399 1.272 9.831 6.972 1.00 23.14 H new ATOM 0 HA LYS A 399 -1.141 11.425 7.588 1.00 53.35 H new ATOM 0 HB2 LYS A 399 0.727 13.116 8.374 1.00 1.03 H new ATOM 0 HB3 LYS A 399 -0.044 11.961 9.443 1.00 1.03 H new ATOM 0 HG2 LYS A 399 2.325 12.028 9.929 1.00 3.11 H new ATOM 0 HG3 LYS A 399 1.931 10.459 9.256 1.00 3.11 H new ATOM 0 HD2 LYS A 399 2.864 11.101 7.088 1.00 60.44 H new ATOM 0 HD3 LYS A 399 3.147 12.735 7.655 1.00 60.44 H new ATOM 0 HE2 LYS A 399 4.499 10.203 8.738 1.00 53.53 H new ATOM 0 HE3 LYS A 399 5.255 11.418 7.726 1.00 53.53 H new ATOM 0 HZ1 LYS A 399 5.897 11.998 9.866 1.00 25.04 H new ATOM 0 HZ2 LYS A 399 4.589 13.044 9.584 1.00 25.04 H new ATOM 0 HZ3 LYS A 399 4.376 11.659 10.543 1.00 25.04 H new ATOM 95 N GLU A 400 -0.933 12.435 5.318 1.00 21.44 N ATOM 96 CA GLU A 400 -0.894 13.319 4.108 1.00 42.12 C ATOM 97 C GLU A 400 -0.655 14.824 4.483 1.00 73.21 C ATOM 98 O GLU A 400 -0.725 15.204 5.654 1.00 13.41 O ATOM 99 CB GLU A 400 -2.118 13.195 3.132 1.00 33.22 C ATOM 100 CG GLU A 400 -3.437 13.588 3.772 1.00 1.14 C ATOM 101 CD GLU A 400 -4.214 14.617 2.976 1.00 54.13 C ATOM 102 OE1 GLU A 400 -3.918 15.818 3.101 1.00 10.42 O ATOM 103 OE2 GLU A 400 -5.146 14.215 2.243 1.00 4.43 O ATOM 0 H GLU A 400 -1.860 12.070 5.537 1.00 21.44 H new ATOM 0 HA GLU A 400 -0.038 12.938 3.551 1.00 42.12 H new ATOM 0 HB2 GLU A 400 -1.943 13.824 2.259 1.00 33.22 H new ATOM 0 HB3 GLU A 400 -2.187 12.167 2.775 1.00 33.22 H new ATOM 0 HG2 GLU A 400 -4.052 12.696 3.895 1.00 1.14 H new ATOM 0 HG3 GLU A 400 -3.244 13.982 4.770 1.00 1.14 H new ATOM 110 N GLY A 401 -0.378 15.656 3.468 1.00 23.55 N ATOM 111 CA GLY A 401 0.186 17.020 3.677 1.00 14.11 C ATOM 112 C GLY A 401 -0.774 18.130 3.239 1.00 0.24 C ATOM 113 O GLY A 401 -1.691 18.423 4.012 1.00 20.21 O ATOM 0 H GLY A 401 -0.532 15.418 2.488 1.00 23.55 H new ATOM 0 HA2 GLY A 401 0.429 17.151 4.732 1.00 14.11 H new ATOM 0 HA3 GLY A 401 1.119 17.112 3.121 1.00 14.11 H new ATOM 117 N PRO A 402 -0.633 18.823 2.041 1.00 64.51 N ATOM 118 CA PRO A 402 -1.592 19.863 1.691 1.00 2.23 C ATOM 119 C PRO A 402 -2.764 19.342 0.852 1.00 2.54 C ATOM 120 O PRO A 402 -2.704 18.231 0.292 1.00 51.42 O ATOM 121 CB PRO A 402 -0.707 20.843 0.906 1.00 54.02 C ATOM 122 CG PRO A 402 0.186 19.972 0.119 1.00 53.40 C ATOM 123 CD PRO A 402 0.437 18.739 0.971 1.00 52.32 C ATOM 0 HA PRO A 402 -2.088 20.302 2.556 1.00 2.23 H new ATOM 0 HB2 PRO A 402 -1.303 21.489 0.261 1.00 54.02 H new ATOM 0 HB3 PRO A 402 -0.142 21.493 1.574 1.00 54.02 H new ATOM 0 HG2 PRO A 402 -0.274 19.701 -0.832 1.00 53.40 H new ATOM 0 HG3 PRO A 402 1.121 20.482 -0.113 1.00 53.40 H new ATOM 0 HD2 PRO A 402 0.349 17.823 0.387 1.00 52.32 H new ATOM 0 HD3 PRO A 402 1.438 18.747 1.403 1.00 52.32 H new ATOM 131 N GLU A 403 -3.863 20.122 0.846 1.00 71.14 N ATOM 132 CA GLU A 403 -4.893 20.036 -0.177 1.00 30.44 C ATOM 133 C GLU A 403 -4.168 20.094 -1.563 1.00 64.52 C ATOM 134 O GLU A 403 -3.450 21.060 -1.883 1.00 73.32 O ATOM 135 CB GLU A 403 -5.922 21.192 0.098 1.00 43.35 C ATOM 136 CG GLU A 403 -5.801 22.503 -0.706 1.00 14.40 C ATOM 137 CD GLU A 403 -6.753 22.550 -1.891 1.00 24.34 C ATOM 138 OE1 GLU A 403 -7.942 22.888 -1.682 1.00 22.35 O ATOM 139 OE2 GLU A 403 -6.317 22.249 -3.022 1.00 12.12 O ATOM 0 H GLU A 403 -4.050 20.828 1.558 1.00 71.14 H new ATOM 0 HA GLU A 403 -5.468 19.110 -0.169 1.00 30.44 H new ATOM 0 HB2 GLU A 403 -6.921 20.792 -0.073 1.00 43.35 H new ATOM 0 HB3 GLU A 403 -5.857 21.447 1.156 1.00 43.35 H new ATOM 0 HG2 GLU A 403 -6.003 23.349 -0.048 1.00 14.40 H new ATOM 0 HG3 GLU A 403 -4.777 22.614 -1.062 1.00 14.40 H new ATOM 146 N GLY A 404 -4.232 18.991 -2.304 1.00 24.43 N ATOM 147 CA GLY A 404 -3.529 18.904 -3.546 1.00 10.41 C ATOM 148 C GLY A 404 -3.086 17.471 -3.925 1.00 24.21 C ATOM 149 O GLY A 404 -3.613 16.891 -4.876 1.00 53.42 O ATOM 0 H GLY A 404 -4.765 18.158 -2.054 1.00 24.43 H new ATOM 0 HA2 GLY A 404 -4.165 19.297 -4.339 1.00 10.41 H new ATOM 0 HA3 GLY A 404 -2.648 19.544 -3.497 1.00 10.41 H new ATOM 153 N ALA A 405 -2.122 16.896 -3.190 1.00 10.04 N ATOM 154 CA ALA A 405 -1.556 15.585 -3.528 1.00 44.44 C ATOM 155 C ALA A 405 -2.156 14.434 -2.649 1.00 5.45 C ATOM 156 O ALA A 405 -1.925 14.409 -1.436 1.00 43.53 O ATOM 157 CB ALA A 405 -0.086 15.722 -3.182 1.00 13.30 C ATOM 0 H ALA A 405 -1.718 17.322 -2.355 1.00 10.04 H new ATOM 0 HA ALA A 405 -1.761 15.330 -4.568 1.00 44.44 H new ATOM 0 HB1 ALA A 405 0.428 14.786 -3.401 1.00 13.30 H new ATOM 0 HB2 ALA A 405 0.354 16.525 -3.774 1.00 13.30 H new ATOM 0 HB3 ALA A 405 0.018 15.954 -2.122 1.00 13.30 H new ATOM 163 N ASN A 406 -2.924 13.482 -3.256 1.00 31.52 N ATOM 164 CA ASN A 406 -3.155 12.068 -2.699 1.00 60.42 C ATOM 165 C ASN A 406 -3.540 11.033 -3.829 1.00 61.21 C ATOM 166 O ASN A 406 -4.603 11.160 -4.435 1.00 54.35 O ATOM 167 CB ASN A 406 -4.219 12.163 -1.506 1.00 21.44 C ATOM 168 CG ASN A 406 -5.324 13.212 -1.712 1.00 44.42 C ATOM 169 OD1 ASN A 406 -5.877 13.356 -2.806 1.00 13.24 O ATOM 170 ND2 ASN A 406 -5.634 14.002 -0.669 1.00 61.33 N ATOM 0 H ASN A 406 -3.407 13.648 -4.139 1.00 31.52 H new ATOM 0 HA ASN A 406 -2.226 11.671 -2.291 1.00 60.42 H new ATOM 0 HB2 ASN A 406 -4.684 11.186 -1.374 1.00 21.44 H new ATOM 0 HB3 ASN A 406 -3.688 12.391 -0.582 1.00 21.44 H new ATOM 0 HD21 ASN A 406 -6.336 14.734 -0.775 1.00 61.33 H new ATOM 0 HD22 ASN A 406 -5.167 13.869 0.228 1.00 61.33 H new ATOM 177 N LEU A 407 -2.662 9.997 -4.111 1.00 62.44 N ATOM 178 CA LEU A 407 -2.907 8.951 -5.142 1.00 70.55 C ATOM 179 C LEU A 407 -3.086 7.512 -4.491 1.00 22.42 C ATOM 180 O LEU A 407 -2.190 7.113 -3.743 1.00 22.50 O ATOM 181 CB LEU A 407 -1.623 8.860 -6.005 1.00 65.12 C ATOM 182 CG LEU A 407 -1.195 10.033 -6.901 1.00 53.52 C ATOM 183 CD1 LEU A 407 -2.367 10.670 -7.638 1.00 41.42 C ATOM 184 CD2 LEU A 407 -0.419 11.076 -6.133 1.00 63.31 C ATOM 0 H LEU A 407 -1.774 9.880 -3.623 1.00 62.44 H new ATOM 0 HA LEU A 407 -3.806 9.218 -5.698 1.00 70.55 H new ATOM 0 HB2 LEU A 407 -0.795 8.656 -5.327 1.00 65.12 H new ATOM 0 HB3 LEU A 407 -1.731 7.987 -6.649 1.00 65.12 H new ATOM 0 HG LEU A 407 -0.534 9.605 -7.654 1.00 53.52 H new ATOM 0 HD11 LEU A 407 -2.005 11.492 -8.255 1.00 41.42 H new ATOM 0 HD12 LEU A 407 -2.847 9.924 -8.272 1.00 41.42 H new ATOM 0 HD13 LEU A 407 -3.089 11.050 -6.915 1.00 41.42 H new ATOM 0 HD21 LEU A 407 -0.136 11.887 -6.804 1.00 63.31 H new ATOM 0 HD22 LEU A 407 -1.039 11.471 -5.328 1.00 63.31 H new ATOM 0 HD23 LEU A 407 0.479 10.624 -5.711 1.00 63.31 H new ATOM 196 N PHE A 408 -4.174 6.697 -4.763 1.00 74.23 N ATOM 197 CA PHE A 408 -4.225 5.269 -4.251 1.00 65.41 C ATOM 198 C PHE A 408 -4.369 4.251 -5.420 1.00 12.30 C ATOM 199 O PHE A 408 -4.787 4.616 -6.517 1.00 11.11 O ATOM 200 CB PHE A 408 -5.304 4.969 -3.130 1.00 71.34 C ATOM 201 CG PHE A 408 -5.194 5.775 -1.838 1.00 1.11 C ATOM 202 CD1 PHE A 408 -3.967 6.207 -1.326 1.00 32.30 C ATOM 203 CD2 PHE A 408 -6.335 6.119 -1.143 1.00 25.53 C ATOM 204 CE1 PHE A 408 -3.887 6.971 -0.163 1.00 43.12 C ATOM 205 CE2 PHE A 408 -6.260 6.863 0.019 1.00 75.44 C ATOM 206 CZ PHE A 408 -5.042 7.293 0.506 1.00 1.23 C ATOM 0 H PHE A 408 -4.988 6.986 -5.306 1.00 74.23 H new ATOM 0 HA PHE A 408 -3.262 5.142 -3.756 1.00 65.41 H new ATOM 0 HB2 PHE A 408 -6.293 5.141 -3.555 1.00 71.34 H new ATOM 0 HB3 PHE A 408 -5.246 3.910 -2.877 1.00 71.34 H new ATOM 0 HD1 PHE A 408 -3.058 5.942 -1.845 1.00 32.30 H new ATOM 0 HD2 PHE A 408 -7.299 5.803 -1.512 1.00 25.53 H new ATOM 0 HE1 PHE A 408 -2.929 7.305 0.207 1.00 43.12 H new ATOM 0 HE2 PHE A 408 -7.165 7.111 0.553 1.00 75.44 H new ATOM 0 HZ PHE A 408 -4.998 7.881 1.411 1.00 1.23 H new ATOM 216 N ILE A 409 -4.015 2.960 -5.171 1.00 52.25 N ATOM 217 CA ILE A 409 -3.806 1.949 -6.299 1.00 13.43 C ATOM 218 C ILE A 409 -4.969 0.847 -6.283 1.00 11.02 C ATOM 219 O ILE A 409 -5.058 0.108 -5.299 1.00 42.40 O ATOM 220 CB ILE A 409 -2.364 1.205 -6.324 1.00 11.24 C ATOM 221 CG1 ILE A 409 -1.136 2.144 -6.635 1.00 72.34 C ATOM 222 CG2 ILE A 409 -2.317 0.090 -7.415 1.00 73.34 C ATOM 223 CD1 ILE A 409 -0.738 3.268 -5.680 1.00 71.35 C ATOM 0 H ILE A 409 -3.867 2.582 -4.235 1.00 52.25 H new ATOM 0 HA ILE A 409 -3.838 2.551 -7.207 1.00 13.43 H new ATOM 0 HB ILE A 409 -2.272 0.814 -5.311 1.00 11.24 H new ATOM 0 HG12 ILE A 409 -0.264 1.500 -6.750 1.00 72.34 H new ATOM 0 HG13 ILE A 409 -1.324 2.603 -7.606 1.00 72.34 H new ATOM 0 HG21 ILE A 409 -1.337 -0.388 -7.405 1.00 73.34 H new ATOM 0 HG22 ILE A 409 -3.086 -0.654 -7.208 1.00 73.34 H new ATOM 0 HG23 ILE A 409 -2.495 0.532 -8.395 1.00 73.34 H new ATOM 0 HD11 ILE A 409 0.130 3.793 -6.078 1.00 71.35 H new ATOM 0 HD12 ILE A 409 -1.568 3.967 -5.574 1.00 71.35 H new ATOM 0 HD13 ILE A 409 -0.492 2.847 -4.705 1.00 71.35 H new ATOM 235 N TYR A 410 -5.850 0.717 -7.353 1.00 14.31 N ATOM 236 CA TYR A 410 -6.823 -0.419 -7.499 1.00 35.11 C ATOM 237 C TYR A 410 -6.160 -1.498 -8.408 1.00 54.40 C ATOM 238 O TYR A 410 -5.480 -1.090 -9.362 1.00 43.35 O ATOM 239 CB TYR A 410 -8.134 0.124 -8.199 1.00 42.25 C ATOM 240 CG TYR A 410 -9.323 0.574 -7.362 1.00 70.41 C ATOM 241 CD1 TYR A 410 -9.224 1.377 -6.229 1.00 20.43 C ATOM 242 CD2 TYR A 410 -10.597 0.197 -7.770 1.00 34.50 C ATOM 243 CE1 TYR A 410 -10.343 1.773 -5.540 1.00 52.12 C ATOM 244 CE2 TYR A 410 -11.718 0.595 -7.082 1.00 25.54 C ATOM 245 CZ TYR A 410 -11.588 1.383 -5.967 1.00 0.02 C ATOM 246 OH TYR A 410 -12.709 1.784 -5.282 1.00 3.14 O ATOM 0 H TYR A 410 -5.895 1.390 -8.118 1.00 14.31 H new ATOM 0 HA TYR A 410 -7.078 -0.844 -6.528 1.00 35.11 H new ATOM 0 HB2 TYR A 410 -7.840 0.969 -8.822 1.00 42.25 H new ATOM 0 HB3 TYR A 410 -8.489 -0.659 -8.869 1.00 42.25 H new ATOM 0 HD1 TYR A 410 -8.250 1.694 -5.886 1.00 20.43 H new ATOM 0 HD2 TYR A 410 -10.708 -0.423 -8.647 1.00 34.50 H new ATOM 0 HE1 TYR A 410 -10.244 2.392 -4.661 1.00 52.12 H new ATOM 0 HE2 TYR A 410 -12.698 0.288 -7.418 1.00 25.54 H new ATOM 0 HH TYR A 410 -13.507 1.420 -5.719 1.00 3.14 H new ATOM 256 N HIS A 411 -6.307 -2.867 -8.097 1.00 53.21 N ATOM 257 CA HIS A 411 -5.698 -3.957 -8.933 1.00 43.44 C ATOM 258 C HIS A 411 -4.155 -4.088 -8.753 1.00 2.24 C ATOM 259 O HIS A 411 -3.393 -3.743 -9.653 1.00 72.14 O ATOM 260 CB HIS A 411 -6.046 -3.865 -10.428 1.00 75.51 C ATOM 261 CG HIS A 411 -7.392 -4.380 -10.825 1.00 53.11 C ATOM 262 ND1 HIS A 411 -7.745 -5.711 -10.828 1.00 72.12 N ATOM 263 CD2 HIS A 411 -8.457 -3.713 -11.311 1.00 60.41 C ATOM 264 CE1 HIS A 411 -8.976 -5.832 -11.297 1.00 61.41 C ATOM 265 NE2 HIS A 411 -9.433 -4.632 -11.597 1.00 35.21 N ATOM 0 H HIS A 411 -6.832 -3.207 -7.291 1.00 53.21 H new ATOM 0 HA HIS A 411 -6.161 -4.864 -8.544 1.00 43.44 H new ATOM 0 HB2 HIS A 411 -5.975 -2.821 -10.733 1.00 75.51 H new ATOM 0 HB3 HIS A 411 -5.290 -4.413 -10.990 1.00 75.51 H new ATOM 0 HD2 HIS A 411 -8.529 -2.644 -11.450 1.00 60.41 H new ATOM 0 HE1 HIS A 411 -9.517 -6.759 -11.415 1.00 61.41 H new ATOM 0 HE2 HIS A 411 -10.356 -4.423 -11.977 1.00 35.21 H new ATOM 274 N LEU A 412 -3.700 -4.545 -7.572 1.00 22.53 N ATOM 275 CA LEU A 412 -2.266 -4.541 -7.218 1.00 4.33 C ATOM 276 C LEU A 412 -1.600 -5.836 -7.771 1.00 31.11 C ATOM 277 O LEU A 412 -2.059 -6.931 -7.426 1.00 30.20 O ATOM 278 CB LEU A 412 -2.078 -4.370 -5.652 1.00 21.31 C ATOM 279 CG LEU A 412 -0.737 -4.853 -5.032 1.00 3.50 C ATOM 280 CD1 LEU A 412 -0.170 -3.852 -4.032 1.00 43.53 C ATOM 281 CD2 LEU A 412 -0.871 -6.214 -4.318 1.00 5.22 C ATOM 0 H LEU A 412 -4.306 -4.923 -6.844 1.00 22.53 H new ATOM 0 HA LEU A 412 -1.767 -3.688 -7.679 1.00 4.33 H new ATOM 0 HB2 LEU A 412 -2.198 -3.313 -5.413 1.00 21.31 H new ATOM 0 HB3 LEU A 412 -2.889 -4.903 -5.156 1.00 21.31 H new ATOM 0 HG LEU A 412 -0.058 -4.953 -5.879 1.00 3.50 H new ATOM 0 HD11 LEU A 412 0.767 -4.234 -3.626 1.00 43.53 H new ATOM 0 HD12 LEU A 412 0.012 -2.901 -4.533 1.00 43.53 H new ATOM 0 HD13 LEU A 412 -0.883 -3.704 -3.221 1.00 43.53 H new ATOM 0 HD21 LEU A 412 0.094 -6.504 -3.903 1.00 5.22 H new ATOM 0 HD22 LEU A 412 -1.602 -6.132 -3.513 1.00 5.22 H new ATOM 0 HD23 LEU A 412 -1.201 -6.969 -5.032 1.00 5.22 H new ATOM 293 N PRO A 413 -0.570 -5.756 -8.695 1.00 45.43 N ATOM 294 CA PRO A 413 0.164 -6.946 -9.203 1.00 60.51 C ATOM 295 C PRO A 413 1.072 -7.707 -8.179 1.00 5.14 C ATOM 296 O PRO A 413 1.172 -7.338 -7.010 1.00 45.01 O ATOM 297 CB PRO A 413 0.875 -6.469 -10.445 1.00 40.13 C ATOM 298 CG PRO A 413 1.083 -5.033 -10.270 1.00 24.31 C ATOM 299 CD PRO A 413 -0.056 -4.519 -9.413 1.00 63.31 C ATOM 0 HA PRO A 413 -0.544 -7.746 -9.421 1.00 60.51 H new ATOM 0 HB2 PRO A 413 1.825 -6.987 -10.573 1.00 40.13 H new ATOM 0 HB3 PRO A 413 0.280 -6.670 -11.336 1.00 40.13 H new ATOM 0 HG2 PRO A 413 2.043 -4.838 -9.792 1.00 24.31 H new ATOM 0 HG3 PRO A 413 1.099 -4.526 -11.235 1.00 24.31 H new ATOM 0 HD2 PRO A 413 0.287 -3.762 -8.707 1.00 63.31 H new ATOM 0 HD3 PRO A 413 -0.835 -4.059 -10.020 1.00 63.31 H new ATOM 307 N GLN A 414 1.747 -8.764 -8.696 1.00 1.03 N ATOM 308 CA GLN A 414 2.034 -10.082 -8.085 1.00 1.15 C ATOM 309 C GLN A 414 2.207 -10.265 -6.519 1.00 22.22 C ATOM 310 O GLN A 414 1.333 -10.917 -5.951 1.00 3.13 O ATOM 311 CB GLN A 414 3.369 -10.486 -8.793 1.00 31.15 C ATOM 312 CG GLN A 414 4.360 -9.318 -9.126 1.00 22.03 C ATOM 313 CD GLN A 414 5.506 -9.167 -8.142 1.00 74.41 C ATOM 314 OE1 GLN A 414 5.969 -10.146 -7.587 1.00 43.45 O ATOM 315 NE2 GLN A 414 5.961 -7.931 -7.938 1.00 25.45 N ATOM 0 H GLN A 414 2.139 -8.708 -9.636 1.00 1.03 H new ATOM 0 HA GLN A 414 1.137 -10.685 -8.227 1.00 1.15 H new ATOM 0 HB2 GLN A 414 3.888 -11.205 -8.159 1.00 31.15 H new ATOM 0 HB3 GLN A 414 3.122 -11.000 -9.722 1.00 31.15 H new ATOM 0 HG2 GLN A 414 4.772 -9.480 -10.122 1.00 22.03 H new ATOM 0 HG3 GLN A 414 3.801 -8.383 -9.160 1.00 22.03 H new ATOM 0 HE21 GLN A 414 5.537 -7.144 -8.429 1.00 25.45 H new ATOM 0 HE22 GLN A 414 6.733 -7.772 -7.291 1.00 25.45 H new ATOM 324 N GLU A 415 3.229 -9.770 -5.800 1.00 35.45 N ATOM 325 CA GLU A 415 3.165 -9.743 -4.306 1.00 34.53 C ATOM 326 C GLU A 415 3.235 -8.318 -3.714 1.00 44.23 C ATOM 327 O GLU A 415 3.352 -8.202 -2.489 1.00 5.53 O ATOM 328 CB GLU A 415 4.224 -10.719 -3.653 1.00 71.04 C ATOM 329 CG GLU A 415 5.599 -10.143 -3.281 1.00 73.42 C ATOM 330 CD GLU A 415 6.426 -9.640 -4.440 1.00 24.20 C ATOM 331 OE1 GLU A 415 7.115 -10.467 -5.070 1.00 25.21 O ATOM 332 OE2 GLU A 415 6.426 -8.414 -4.693 1.00 52.11 O ATOM 0 H GLU A 415 4.088 -9.392 -6.200 1.00 35.45 H new ATOM 0 HA GLU A 415 2.176 -10.118 -4.042 1.00 34.53 H new ATOM 0 HB2 GLU A 415 3.781 -11.137 -2.749 1.00 71.04 H new ATOM 0 HB3 GLU A 415 4.384 -11.548 -4.342 1.00 71.04 H new ATOM 0 HG2 GLU A 415 5.452 -9.323 -2.578 1.00 73.42 H new ATOM 0 HG3 GLU A 415 6.167 -10.913 -2.758 1.00 73.42 H new ATOM 339 N PHE A 416 2.975 -7.267 -4.533 1.00 1.41 N ATOM 340 CA PHE A 416 3.740 -5.958 -4.424 1.00 50.10 C ATOM 341 C PHE A 416 3.689 -5.370 -2.973 1.00 65.21 C ATOM 342 O PHE A 416 2.662 -4.835 -2.554 1.00 31.24 O ATOM 343 CB PHE A 416 3.168 -4.884 -5.423 1.00 70.54 C ATOM 344 CG PHE A 416 3.961 -4.365 -6.595 1.00 33.03 C ATOM 345 CD1 PHE A 416 5.014 -5.011 -7.249 1.00 21.42 C ATOM 346 CD2 PHE A 416 3.540 -3.138 -7.073 1.00 0.34 C ATOM 347 CE1 PHE A 416 5.605 -4.431 -8.355 1.00 70.35 C ATOM 348 CE2 PHE A 416 4.129 -2.549 -8.162 1.00 35.43 C ATOM 349 CZ PHE A 416 5.164 -3.199 -8.816 1.00 34.12 C ATOM 0 H PHE A 416 2.264 -7.279 -5.264 1.00 1.41 H new ATOM 0 HA PHE A 416 4.776 -6.184 -4.677 1.00 50.10 H new ATOM 0 HB2 PHE A 416 2.245 -5.297 -5.829 1.00 70.54 H new ATOM 0 HB3 PHE A 416 2.893 -4.016 -4.824 1.00 70.54 H new ATOM 0 HD1 PHE A 416 5.367 -5.966 -6.889 1.00 21.42 H new ATOM 0 HD2 PHE A 416 2.726 -2.631 -6.576 1.00 0.34 H new ATOM 0 HE1 PHE A 416 6.413 -4.938 -8.862 1.00 70.35 H new ATOM 0 HE2 PHE A 416 3.789 -1.584 -8.508 1.00 35.43 H new ATOM 0 HZ PHE A 416 5.626 -2.748 -9.682 1.00 34.12 H new ATOM 359 N GLY A 417 4.804 -5.514 -2.203 1.00 35.14 N ATOM 360 CA GLY A 417 4.851 -5.106 -0.808 1.00 21.21 C ATOM 361 C GLY A 417 5.512 -3.728 -0.555 1.00 3.42 C ATOM 362 O GLY A 417 5.745 -2.993 -1.518 1.00 54.43 O ATOM 0 H GLY A 417 5.677 -5.914 -2.547 1.00 35.14 H new ATOM 0 HA2 GLY A 417 3.834 -5.082 -0.417 1.00 21.21 H new ATOM 0 HA3 GLY A 417 5.393 -5.863 -0.241 1.00 21.21 H new ATOM 366 N ASP A 418 5.775 -3.377 0.754 1.00 73.41 N ATOM 367 CA ASP A 418 6.415 -2.057 1.157 1.00 14.23 C ATOM 368 C ASP A 418 7.697 -1.753 0.375 1.00 74.13 C ATOM 369 O ASP A 418 7.850 -0.640 -0.144 1.00 15.25 O ATOM 370 CB ASP A 418 6.685 -1.942 2.717 1.00 33.05 C ATOM 371 CG ASP A 418 8.101 -1.532 3.129 1.00 61.55 C ATOM 372 OD1 ASP A 418 8.365 -0.320 3.260 1.00 22.01 O ATOM 373 OD2 ASP A 418 8.933 -2.434 3.370 1.00 14.24 O ATOM 0 H ASP A 418 5.557 -3.982 1.546 1.00 73.41 H new ATOM 0 HA ASP A 418 5.674 -1.302 0.895 1.00 14.23 H new ATOM 0 HB2 ASP A 418 5.984 -1.219 3.134 1.00 33.05 H new ATOM 0 HB3 ASP A 418 6.460 -2.905 3.176 1.00 33.05 H new ATOM 378 N GLN A 419 8.595 -2.752 0.304 1.00 50.25 N ATOM 379 CA GLN A 419 9.914 -2.591 -0.311 1.00 5.03 C ATOM 380 C GLN A 419 9.844 -2.172 -1.782 1.00 61.23 C ATOM 381 O GLN A 419 10.580 -1.259 -2.171 1.00 12.21 O ATOM 382 CB GLN A 419 10.848 -3.827 -0.129 1.00 3.02 C ATOM 383 CG GLN A 419 10.527 -5.062 -1.028 1.00 14.02 C ATOM 384 CD GLN A 419 11.585 -5.362 -2.089 1.00 30.14 C ATOM 385 OE1 GLN A 419 11.752 -6.512 -2.488 1.00 3.54 O ATOM 386 NE2 GLN A 419 12.294 -4.345 -2.574 1.00 61.33 N ATOM 0 H GLN A 419 8.423 -3.688 0.671 1.00 50.25 H new ATOM 0 HA GLN A 419 10.368 -1.770 0.243 1.00 5.03 H new ATOM 0 HB2 GLN A 419 11.874 -3.515 -0.326 1.00 3.02 H new ATOM 0 HB3 GLN A 419 10.805 -4.140 0.914 1.00 3.02 H new ATOM 0 HG2 GLN A 419 10.409 -5.939 -0.391 1.00 14.02 H new ATOM 0 HG3 GLN A 419 9.570 -4.897 -1.523 1.00 14.02 H new ATOM 0 HE21 GLN A 419 12.135 -3.400 -2.225 1.00 61.33 H new ATOM 0 HE22 GLN A 419 12.996 -4.511 -3.295 1.00 61.33 H new ATOM 395 N ASP A 420 8.951 -2.794 -2.590 1.00 42.11 N ATOM 396 CA ASP A 420 8.868 -2.436 -4.018 1.00 1.13 C ATOM 397 C ASP A 420 8.362 -0.986 -4.197 1.00 11.02 C ATOM 398 O ASP A 420 8.953 -0.243 -4.982 1.00 3.22 O ATOM 399 CB ASP A 420 8.017 -3.405 -4.875 1.00 34.11 C ATOM 400 CG ASP A 420 6.705 -2.832 -5.297 1.00 32.12 C ATOM 401 OD1 ASP A 420 5.730 -2.980 -4.536 1.00 45.12 O ATOM 402 OD2 ASP A 420 6.669 -2.158 -6.346 1.00 40.44 O ATOM 0 H ASP A 420 8.302 -3.520 -2.287 1.00 42.11 H new ATOM 0 HA ASP A 420 9.889 -2.522 -4.390 1.00 1.13 H new ATOM 0 HB2 ASP A 420 8.584 -3.686 -5.763 1.00 34.11 H new ATOM 0 HB3 ASP A 420 7.840 -4.319 -4.308 1.00 34.11 H new ATOM 407 N ILE A 421 7.245 -0.615 -3.484 1.00 71.22 N ATOM 408 CA ILE A 421 6.545 0.667 -3.698 1.00 21.31 C ATOM 409 C ILE A 421 7.442 1.884 -3.396 1.00 61.35 C ATOM 410 O ILE A 421 7.178 3.003 -3.870 1.00 71.35 O ATOM 411 CB ILE A 421 5.149 0.741 -2.879 1.00 10.04 C ATOM 412 CG1 ILE A 421 3.921 0.854 -3.841 1.00 62.20 C ATOM 413 CG2 ILE A 421 5.074 1.821 -1.782 1.00 74.41 C ATOM 414 CD1 ILE A 421 2.666 1.583 -3.333 1.00 53.13 C ATOM 0 H ILE A 421 6.824 -1.198 -2.760 1.00 71.22 H new ATOM 0 HA ILE A 421 6.301 0.709 -4.760 1.00 21.31 H new ATOM 0 HB ILE A 421 5.113 -0.209 -2.345 1.00 10.04 H new ATOM 0 HG12 ILE A 421 4.254 1.357 -4.749 1.00 62.20 H new ATOM 0 HG13 ILE A 421 3.627 -0.156 -4.126 1.00 62.20 H new ATOM 0 HG21 ILE A 421 4.098 1.781 -1.299 1.00 74.41 H new ATOM 0 HG22 ILE A 421 5.853 1.642 -1.041 1.00 74.41 H new ATOM 0 HG23 ILE A 421 5.218 2.805 -2.229 1.00 74.41 H new ATOM 0 HD11 ILE A 421 1.903 1.579 -4.111 1.00 53.13 H new ATOM 0 HD12 ILE A 421 2.284 1.075 -2.447 1.00 53.13 H new ATOM 0 HD13 ILE A 421 2.921 2.612 -3.080 1.00 53.13 H new ATOM 426 N LEU A 422 8.544 1.660 -2.670 1.00 31.23 N ATOM 427 CA LEU A 422 9.340 2.729 -2.200 1.00 40.10 C ATOM 428 C LEU A 422 10.382 3.085 -3.306 1.00 64.23 C ATOM 429 O LEU A 422 10.761 4.240 -3.471 1.00 1.11 O ATOM 430 CB LEU A 422 9.984 2.388 -0.794 1.00 42.41 C ATOM 431 CG LEU A 422 10.978 3.429 -0.204 1.00 43.01 C ATOM 432 CD1 LEU A 422 10.361 4.820 0.043 1.00 15.53 C ATOM 433 CD2 LEU A 422 11.576 2.990 1.124 1.00 2.30 C ATOM 0 H LEU A 422 8.881 0.733 -2.410 1.00 31.23 H new ATOM 0 HA LEU A 422 8.731 3.615 -2.017 1.00 40.10 H new ATOM 0 HB2 LEU A 422 9.176 2.246 -0.076 1.00 42.41 H new ATOM 0 HB3 LEU A 422 10.504 1.434 -0.881 1.00 42.41 H new ATOM 0 HG LEU A 422 11.743 3.495 -0.978 1.00 43.01 H new ATOM 0 HD11 LEU A 422 11.119 5.486 0.455 1.00 15.53 H new ATOM 0 HD12 LEU A 422 9.993 5.227 -0.899 1.00 15.53 H new ATOM 0 HD13 LEU A 422 9.534 4.731 0.748 1.00 15.53 H new ATOM 0 HD21 LEU A 422 12.261 3.757 1.486 1.00 2.30 H new ATOM 0 HD22 LEU A 422 10.778 2.844 1.852 1.00 2.30 H new ATOM 0 HD23 LEU A 422 12.118 2.054 0.987 1.00 2.30 H new ATOM 445 N GLN A 423 10.800 2.051 -4.064 1.00 23.24 N ATOM 446 CA GLN A 423 11.756 2.200 -5.228 1.00 23.22 C ATOM 447 C GLN A 423 11.064 2.499 -6.576 1.00 65.21 C ATOM 448 O GLN A 423 11.432 3.464 -7.240 1.00 5.24 O ATOM 449 CB GLN A 423 12.621 0.926 -5.491 1.00 72.25 C ATOM 450 CG GLN A 423 13.618 0.490 -4.417 1.00 63.21 C ATOM 451 CD GLN A 423 13.622 -1.034 -4.181 1.00 72.13 C ATOM 452 OE1 GLN A 423 14.670 -1.583 -3.835 1.00 61.11 O ATOM 453 NE2 GLN A 423 12.485 -1.761 -4.343 1.00 4.23 N ATOM 0 H GLN A 423 10.499 1.089 -3.905 1.00 23.24 H new ATOM 0 HA GLN A 423 12.371 3.042 -4.910 1.00 23.22 H new ATOM 0 HB2 GLN A 423 11.940 0.094 -5.670 1.00 72.25 H new ATOM 0 HB3 GLN A 423 13.177 1.087 -6.415 1.00 72.25 H new ATOM 0 HG2 GLN A 423 14.619 0.810 -4.707 1.00 63.21 H new ATOM 0 HG3 GLN A 423 13.380 0.996 -3.481 1.00 63.21 H new ATOM 0 HE21 GLN A 423 11.621 -1.300 -4.629 1.00 4.23 H new ATOM 0 HE22 GLN A 423 12.495 -2.768 -4.178 1.00 4.23 H new ATOM 462 N MET A 424 10.140 1.613 -7.016 1.00 32.32 N ATOM 463 CA MET A 424 9.497 1.738 -8.376 1.00 65.52 C ATOM 464 C MET A 424 8.661 3.067 -8.530 1.00 62.51 C ATOM 465 O MET A 424 8.443 3.513 -9.658 1.00 63.21 O ATOM 466 CB MET A 424 8.660 0.431 -8.806 1.00 61.00 C ATOM 467 CG MET A 424 8.240 0.292 -10.329 1.00 31.40 C ATOM 468 SD MET A 424 9.393 -0.722 -11.289 1.00 20.23 S ATOM 469 CE MET A 424 10.939 0.149 -11.070 1.00 5.33 C ATOM 0 H MET A 424 9.817 0.813 -6.472 1.00 32.32 H new ATOM 0 HA MET A 424 10.322 1.807 -9.085 1.00 65.52 H new ATOM 0 HB2 MET A 424 9.248 -0.447 -8.539 1.00 61.00 H new ATOM 0 HB3 MET A 424 7.752 0.401 -8.204 1.00 61.00 H new ATOM 0 HG2 MET A 424 7.244 -0.146 -10.387 1.00 31.40 H new ATOM 0 HG3 MET A 424 8.178 1.284 -10.776 1.00 31.40 H new ATOM 0 HE1 MET A 424 11.662 -0.202 -11.807 1.00 5.33 H new ATOM 0 HE2 MET A 424 10.776 1.219 -11.202 1.00 5.33 H new ATOM 0 HE3 MET A 424 11.323 -0.038 -10.067 1.00 5.33 H new ATOM 479 N PHE A 425 8.250 3.733 -7.407 1.00 24.22 N ATOM 480 CA PHE A 425 7.468 4.984 -7.460 1.00 31.22 C ATOM 481 C PHE A 425 8.370 6.210 -7.092 1.00 73.15 C ATOM 482 O PHE A 425 7.901 7.342 -7.070 1.00 13.42 O ATOM 483 CB PHE A 425 6.200 4.768 -6.583 1.00 64.21 C ATOM 484 CG PHE A 425 4.860 4.637 -7.327 1.00 4.03 C ATOM 485 CD1 PHE A 425 4.515 3.418 -7.913 1.00 54.51 C ATOM 486 CD2 PHE A 425 3.911 5.689 -7.416 1.00 61.54 C ATOM 487 CE1 PHE A 425 3.308 3.245 -8.551 1.00 5.13 C ATOM 488 CE2 PHE A 425 2.713 5.480 -8.046 1.00 52.11 C ATOM 489 CZ PHE A 425 2.415 4.277 -8.615 1.00 54.24 C ATOM 0 H PHE A 425 8.454 3.414 -6.460 1.00 24.22 H new ATOM 0 HA PHE A 425 7.118 5.228 -8.463 1.00 31.22 H new ATOM 0 HB2 PHE A 425 6.348 3.867 -5.987 1.00 64.21 H new ATOM 0 HB3 PHE A 425 6.122 5.602 -5.886 1.00 64.21 H new ATOM 0 HD1 PHE A 425 5.210 2.593 -7.865 1.00 54.51 H new ATOM 0 HD2 PHE A 425 4.134 6.655 -6.987 1.00 61.54 H new ATOM 0 HE1 PHE A 425 3.067 2.293 -9.001 1.00 5.13 H new ATOM 0 HE2 PHE A 425 1.991 6.282 -8.093 1.00 52.11 H new ATOM 0 HZ PHE A 425 1.469 4.140 -9.118 1.00 54.24 H new ATOM 499 N MET A 426 9.686 5.953 -6.810 1.00 2.34 N ATOM 500 CA MET A 426 10.665 6.964 -6.314 1.00 75.52 C ATOM 501 C MET A 426 11.105 8.045 -7.358 1.00 14.41 C ATOM 502 O MET A 426 11.148 9.208 -6.974 1.00 10.15 O ATOM 503 CB MET A 426 11.955 6.277 -5.820 1.00 60.22 C ATOM 504 CG MET A 426 12.608 6.885 -4.575 1.00 21.41 C ATOM 505 SD MET A 426 13.461 8.453 -4.866 1.00 4.20 S ATOM 506 CE MET A 426 12.559 9.537 -3.758 1.00 5.04 C ATOM 0 H MET A 426 10.096 5.026 -6.924 1.00 2.34 H new ATOM 0 HA MET A 426 10.123 7.472 -5.516 1.00 75.52 H new ATOM 0 HB2 MET A 426 11.729 5.231 -5.613 1.00 60.22 H new ATOM 0 HB3 MET A 426 12.683 6.291 -6.631 1.00 60.22 H new ATOM 0 HG2 MET A 426 11.841 7.039 -3.816 1.00 21.41 H new ATOM 0 HG3 MET A 426 13.321 6.168 -4.167 1.00 21.41 H new ATOM 0 HE1 MET A 426 12.895 10.564 -3.900 1.00 5.04 H new ATOM 0 HE2 MET A 426 11.492 9.471 -3.973 1.00 5.04 H new ATOM 0 HE3 MET A 426 12.740 9.235 -2.726 1.00 5.04 H new ATOM 516 N PRO A 427 11.517 7.688 -8.660 1.00 3.44 N ATOM 517 CA PRO A 427 12.129 8.627 -9.690 1.00 11.23 C ATOM 518 C PRO A 427 11.360 9.962 -10.037 1.00 0.13 C ATOM 519 O PRO A 427 11.782 10.673 -10.942 1.00 30.01 O ATOM 520 CB PRO A 427 12.277 7.680 -10.928 1.00 25.12 C ATOM 521 CG PRO A 427 11.249 6.652 -10.687 1.00 73.25 C ATOM 522 CD PRO A 427 11.501 6.328 -9.265 1.00 15.41 C ATOM 0 HA PRO A 427 13.050 9.063 -9.303 1.00 11.23 H new ATOM 0 HB2 PRO A 427 12.105 8.211 -11.864 1.00 25.12 H new ATOM 0 HB3 PRO A 427 13.275 7.246 -10.987 1.00 25.12 H new ATOM 0 HG2 PRO A 427 10.240 7.031 -10.851 1.00 73.25 H new ATOM 0 HG3 PRO A 427 11.373 5.785 -11.336 1.00 73.25 H new ATOM 0 HD2 PRO A 427 10.719 5.698 -8.841 1.00 15.41 H new ATOM 0 HD3 PRO A 427 12.446 5.803 -9.123 1.00 15.41 H new ATOM 530 N PHE A 428 10.245 10.282 -9.347 1.00 42.54 N ATOM 531 CA PHE A 428 9.594 11.617 -9.462 1.00 23.31 C ATOM 532 C PHE A 428 9.569 12.468 -8.128 1.00 22.21 C ATOM 533 O PHE A 428 8.786 13.417 -8.042 1.00 31.41 O ATOM 534 CB PHE A 428 8.147 11.563 -10.059 1.00 73.43 C ATOM 535 CG PHE A 428 7.716 10.320 -10.857 1.00 64.40 C ATOM 536 CD1 PHE A 428 7.940 10.264 -12.231 1.00 40.12 C ATOM 537 CD2 PHE A 428 7.018 9.262 -10.268 1.00 34.44 C ATOM 538 CE1 PHE A 428 7.493 9.190 -12.987 1.00 21.32 C ATOM 539 CE2 PHE A 428 6.579 8.179 -11.025 1.00 22.31 C ATOM 540 CZ PHE A 428 6.818 8.149 -12.381 1.00 22.42 C ATOM 0 H PHE A 428 9.774 9.643 -8.706 1.00 42.54 H new ATOM 0 HA PHE A 428 10.250 12.130 -10.165 1.00 23.31 H new ATOM 0 HB2 PHE A 428 7.446 11.684 -9.233 1.00 73.43 H new ATOM 0 HB3 PHE A 428 8.026 12.430 -10.709 1.00 73.43 H new ATOM 0 HD1 PHE A 428 8.471 11.070 -12.716 1.00 40.12 H new ATOM 0 HD2 PHE A 428 6.816 9.285 -9.207 1.00 34.44 H new ATOM 0 HE1 PHE A 428 7.673 9.168 -14.052 1.00 21.32 H new ATOM 0 HE2 PHE A 428 6.052 7.364 -10.550 1.00 22.31 H new ATOM 0 HZ PHE A 428 6.477 7.311 -12.971 1.00 22.42 H new ATOM 550 N GLY A 429 10.417 12.167 -7.105 1.00 25.15 N ATOM 551 CA GLY A 429 10.611 13.081 -5.957 1.00 61.34 C ATOM 552 C GLY A 429 10.128 12.548 -4.584 1.00 15.11 C ATOM 553 O GLY A 429 9.814 11.363 -4.471 1.00 74.33 O ATOM 0 H GLY A 429 10.967 11.310 -7.057 1.00 25.15 H new ATOM 0 HA2 GLY A 429 11.672 13.319 -5.881 1.00 61.34 H new ATOM 0 HA3 GLY A 429 10.089 14.015 -6.167 1.00 61.34 H new ATOM 557 N ASN A 430 10.049 13.429 -3.537 1.00 74.35 N ATOM 558 CA ASN A 430 10.068 12.975 -2.115 1.00 61.25 C ATOM 559 C ASN A 430 8.685 12.413 -1.628 1.00 20.31 C ATOM 560 O ASN A 430 7.647 13.056 -1.799 1.00 64.45 O ATOM 561 CB ASN A 430 10.609 14.091 -1.144 1.00 74.22 C ATOM 562 CG ASN A 430 9.741 15.341 -0.997 1.00 72.11 C ATOM 563 OD1 ASN A 430 9.159 15.841 -1.961 1.00 54.34 O ATOM 564 ND2 ASN A 430 9.628 15.843 0.236 1.00 54.12 N ATOM 0 H ASN A 430 9.973 14.440 -3.652 1.00 74.35 H new ATOM 0 HA ASN A 430 10.769 12.141 -2.082 1.00 61.25 H new ATOM 0 HB2 ASN A 430 10.743 13.650 -0.156 1.00 74.22 H new ATOM 0 HB3 ASN A 430 11.595 14.398 -1.492 1.00 74.22 H new ATOM 0 HD21 ASN A 430 9.046 16.664 0.401 1.00 54.12 H new ATOM 0 HD22 ASN A 430 10.123 15.405 1.012 1.00 54.12 H new ATOM 571 N VAL A 431 8.688 11.173 -1.068 1.00 52.34 N ATOM 572 CA VAL A 431 7.446 10.454 -0.676 1.00 73.04 C ATOM 573 C VAL A 431 7.279 10.330 0.892 1.00 65.15 C ATOM 574 O VAL A 431 8.276 10.063 1.573 1.00 34.20 O ATOM 575 CB VAL A 431 7.422 9.062 -1.442 1.00 2.30 C ATOM 576 CG1 VAL A 431 8.780 8.421 -1.501 1.00 42.44 C ATOM 577 CG2 VAL A 431 6.481 7.988 -0.907 1.00 63.14 C ATOM 0 H VAL A 431 9.542 10.649 -0.877 1.00 52.34 H new ATOM 0 HA VAL A 431 6.571 11.031 -0.977 1.00 73.04 H new ATOM 0 HB VAL A 431 7.051 9.375 -2.418 1.00 2.30 H new ATOM 0 HG11 VAL A 431 8.712 7.473 -2.034 1.00 42.44 H new ATOM 0 HG12 VAL A 431 9.472 9.082 -2.023 1.00 42.44 H new ATOM 0 HG13 VAL A 431 9.143 8.243 -0.489 1.00 42.44 H new ATOM 0 HG21 VAL A 431 6.565 7.092 -1.522 1.00 63.14 H new ATOM 0 HG22 VAL A 431 6.749 7.749 0.122 1.00 63.14 H new ATOM 0 HG23 VAL A 431 5.455 8.355 -0.938 1.00 63.14 H new ATOM 587 N ILE A 432 6.039 10.522 1.483 1.00 53.51 N ATOM 588 CA ILE A 432 5.893 10.535 2.975 1.00 54.14 C ATOM 589 C ILE A 432 5.201 9.241 3.591 1.00 2.14 C ATOM 590 O ILE A 432 5.455 8.919 4.754 1.00 42.15 O ATOM 591 CB ILE A 432 5.119 11.809 3.540 1.00 12.12 C ATOM 592 CG1 ILE A 432 5.101 13.016 2.593 1.00 34.22 C ATOM 593 CG2 ILE A 432 5.752 12.311 4.826 1.00 11.12 C ATOM 594 CD1 ILE A 432 4.441 14.289 3.172 1.00 61.21 C ATOM 0 H ILE A 432 5.171 10.663 0.967 1.00 53.51 H new ATOM 0 HA ILE A 432 6.934 10.564 3.296 1.00 54.14 H new ATOM 0 HB ILE A 432 4.101 11.446 3.683 1.00 12.12 H new ATOM 0 HG12 ILE A 432 6.127 13.253 2.310 1.00 34.22 H new ATOM 0 HG13 ILE A 432 4.576 12.735 1.680 1.00 34.22 H new ATOM 0 HG21 ILE A 432 5.202 13.180 5.187 1.00 11.12 H new ATOM 0 HG22 ILE A 432 5.720 11.523 5.579 1.00 11.12 H new ATOM 0 HG23 ILE A 432 6.788 12.590 4.637 1.00 11.12 H new ATOM 0 HD11 ILE A 432 4.476 15.087 2.430 1.00 61.21 H new ATOM 0 HD12 ILE A 432 3.403 14.077 3.427 1.00 61.21 H new ATOM 0 HD13 ILE A 432 4.978 14.602 4.067 1.00 61.21 H new ATOM 606 N SER A 433 4.334 8.507 2.837 1.00 62.44 N ATOM 607 CA SER A 433 3.580 7.318 3.351 1.00 30.33 C ATOM 608 C SER A 433 3.693 6.090 2.389 1.00 23.53 C ATOM 609 O SER A 433 3.452 6.221 1.187 1.00 64.41 O ATOM 610 CB SER A 433 2.081 7.731 3.490 1.00 73.31 C ATOM 611 OG SER A 433 1.932 8.866 4.333 1.00 2.14 O ATOM 0 H SER A 433 4.136 8.719 1.859 1.00 62.44 H new ATOM 0 HA SER A 433 4.004 7.017 4.309 1.00 30.33 H new ATOM 0 HB2 SER A 433 1.670 7.951 2.505 1.00 73.31 H new ATOM 0 HB3 SER A 433 1.508 6.897 3.895 1.00 73.31 H new ATOM 0 HG SER A 433 1.012 9.199 4.274 1.00 2.14 H new ATOM 617 N ALA A 434 4.089 4.904 2.952 1.00 43.24 N ATOM 618 CA ALA A 434 4.018 3.571 2.244 1.00 23.34 C ATOM 619 C ALA A 434 3.459 2.424 3.202 1.00 52.21 C ATOM 620 O ALA A 434 4.126 2.119 4.198 1.00 42.23 O ATOM 621 CB ALA A 434 5.410 3.165 1.699 1.00 62.14 C ATOM 0 H ALA A 434 4.463 4.839 3.899 1.00 43.24 H new ATOM 0 HA ALA A 434 3.326 3.686 1.410 1.00 23.34 H new ATOM 0 HB1 ALA A 434 5.336 2.202 1.193 1.00 62.14 H new ATOM 0 HB2 ALA A 434 5.759 3.920 0.994 1.00 62.14 H new ATOM 0 HB3 ALA A 434 6.116 3.087 2.526 1.00 62.14 H new ATOM 627 N LYS A 435 2.242 1.802 2.940 1.00 43.42 N ATOM 628 CA LYS A 435 1.717 0.633 3.734 1.00 0.32 C ATOM 629 C LYS A 435 0.744 -0.264 2.853 1.00 71.44 C ATOM 630 O LYS A 435 -0.113 0.292 2.157 1.00 35.22 O ATOM 631 CB LYS A 435 1.050 1.069 5.111 1.00 0.21 C ATOM 632 CG LYS A 435 -0.188 1.971 5.133 1.00 61.23 C ATOM 633 CD LYS A 435 -1.449 1.135 4.934 1.00 72.15 C ATOM 634 CE LYS A 435 -2.770 1.896 4.998 1.00 12.14 C ATOM 635 NZ LYS A 435 -2.651 3.294 5.500 1.00 23.03 N ATOM 0 H LYS A 435 1.618 2.096 2.188 1.00 43.42 H new ATOM 0 HA LYS A 435 2.578 0.022 4.005 1.00 0.32 H new ATOM 0 HB2 LYS A 435 0.789 0.155 5.644 1.00 0.21 H new ATOM 0 HB3 LYS A 435 1.821 1.570 5.696 1.00 0.21 H new ATOM 0 HG2 LYS A 435 -0.242 2.505 6.082 1.00 61.23 H new ATOM 0 HG3 LYS A 435 -0.113 2.723 4.348 1.00 61.23 H new ATOM 0 HD2 LYS A 435 -1.384 0.639 3.965 1.00 72.15 H new ATOM 0 HD3 LYS A 435 -1.466 0.352 5.692 1.00 72.15 H new ATOM 0 HE2 LYS A 435 -3.212 1.917 4.002 1.00 12.14 H new ATOM 0 HE3 LYS A 435 -3.460 1.349 5.641 1.00 12.14 H new ATOM 0 HZ1 LYS A 435 -3.591 3.740 5.512 1.00 23.03 H new ATOM 0 HZ2 LYS A 435 -2.259 3.285 6.463 1.00 23.03 H new ATOM 0 HZ3 LYS A 435 -2.020 3.835 4.875 1.00 23.03 H new ATOM 649 N VAL A 436 0.889 -1.639 2.834 1.00 3.44 N ATOM 650 CA VAL A 436 -0.188 -2.533 2.259 1.00 72.43 C ATOM 651 C VAL A 436 -0.988 -3.164 3.470 1.00 53.32 C ATOM 652 O VAL A 436 -0.693 -4.252 3.958 1.00 14.22 O ATOM 653 CB VAL A 436 0.446 -3.621 1.205 1.00 24.40 C ATOM 654 CG1 VAL A 436 -0.442 -4.825 0.825 1.00 41.44 C ATOM 655 CG2 VAL A 436 0.867 -3.018 -0.152 1.00 53.42 C ATOM 0 H VAL A 436 1.705 -2.134 3.194 1.00 3.44 H new ATOM 0 HA VAL A 436 -0.899 -1.969 1.655 1.00 72.43 H new ATOM 0 HB VAL A 436 1.294 -3.958 1.801 1.00 24.40 H new ATOM 0 HG11 VAL A 436 0.094 -5.465 0.124 1.00 41.44 H new ATOM 0 HG12 VAL A 436 -0.687 -5.394 1.722 1.00 41.44 H new ATOM 0 HG13 VAL A 436 -1.361 -4.467 0.360 1.00 41.44 H new ATOM 0 HG21 VAL A 436 1.275 -3.803 -0.788 1.00 53.42 H new ATOM 0 HG22 VAL A 436 -0.001 -2.572 -0.637 1.00 53.42 H new ATOM 0 HG23 VAL A 436 1.625 -2.252 0.010 1.00 53.42 H new ATOM 665 N PHE A 437 -1.913 -2.316 4.019 1.00 35.35 N ATOM 666 CA PHE A 437 -3.079 -2.637 4.920 1.00 15.23 C ATOM 667 C PHE A 437 -4.410 -2.053 4.361 1.00 10.14 C ATOM 668 O PHE A 437 -4.377 -1.097 3.591 1.00 54.11 O ATOM 669 CB PHE A 437 -2.903 -2.168 6.396 1.00 62.31 C ATOM 670 CG PHE A 437 -2.554 -3.264 7.403 1.00 54.40 C ATOM 671 CD1 PHE A 437 -3.549 -3.984 8.072 1.00 51.31 C ATOM 672 CD2 PHE A 437 -1.231 -3.568 7.693 1.00 13.51 C ATOM 673 CE1 PHE A 437 -3.220 -4.973 8.992 1.00 23.21 C ATOM 674 CE2 PHE A 437 -0.903 -4.555 8.604 1.00 10.34 C ATOM 675 CZ PHE A 437 -1.897 -5.255 9.252 1.00 42.44 C ATOM 0 H PHE A 437 -1.863 -1.314 3.832 1.00 35.35 H new ATOM 0 HA PHE A 437 -3.117 -3.726 4.932 1.00 15.23 H new ATOM 0 HB2 PHE A 437 -2.120 -1.410 6.426 1.00 62.31 H new ATOM 0 HB3 PHE A 437 -3.826 -1.686 6.717 1.00 62.31 H new ATOM 0 HD1 PHE A 437 -4.588 -3.769 7.871 1.00 51.31 H new ATOM 0 HD2 PHE A 437 -0.442 -3.022 7.197 1.00 13.51 H new ATOM 0 HE1 PHE A 437 -4.000 -5.519 9.502 1.00 23.21 H new ATOM 0 HE2 PHE A 437 0.134 -4.778 8.808 1.00 10.34 H new ATOM 0 HZ PHE A 437 -1.639 -6.025 9.964 1.00 42.44 H new ATOM 866 N GLY A 449 -3.266 -0.558 -2.328 1.00 45.22 N ATOM 867 CA GLY A 449 -2.055 0.182 -1.772 1.00 32.21 C ATOM 868 C GLY A 449 -2.058 1.712 -1.769 1.00 34.24 C ATOM 869 O GLY A 449 -2.675 2.354 -2.606 1.00 72.53 O ATOM 0 HA2 GLY A 449 -1.911 -0.149 -0.743 1.00 32.21 H new ATOM 0 HA3 GLY A 449 -1.182 -0.144 -2.337 1.00 32.21 H new ATOM 873 N PHE A 450 -1.349 2.281 -0.738 1.00 42.13 N ATOM 874 CA PHE A 450 -1.418 3.734 -0.404 1.00 42.44 C ATOM 875 C PHE A 450 -0.021 4.487 -0.618 1.00 43.54 C ATOM 876 O PHE A 450 0.933 4.132 0.091 1.00 11.23 O ATOM 877 CB PHE A 450 -1.897 3.807 1.090 1.00 41.53 C ATOM 878 CG PHE A 450 -3.289 3.266 1.379 1.00 52.42 C ATOM 879 CD1 PHE A 450 -3.604 1.938 1.203 1.00 43.01 C ATOM 880 CD2 PHE A 450 -4.265 4.084 1.867 1.00 11.41 C ATOM 881 CE1 PHE A 450 -4.830 1.435 1.496 1.00 71.43 C ATOM 882 CE2 PHE A 450 -5.504 3.589 2.173 1.00 14.04 C ATOM 883 CZ PHE A 450 -5.779 2.256 1.993 1.00 4.52 C ATOM 0 H PHE A 450 -0.726 1.750 -0.129 1.00 42.13 H new ATOM 0 HA PHE A 450 -2.109 4.248 -1.072 1.00 42.44 H new ATOM 0 HB2 PHE A 450 -1.183 3.260 1.705 1.00 41.53 H new ATOM 0 HB3 PHE A 450 -1.861 4.848 1.410 1.00 41.53 H new ATOM 0 HD1 PHE A 450 -2.847 1.271 0.817 1.00 43.01 H new ATOM 0 HD2 PHE A 450 -4.058 5.134 2.014 1.00 11.41 H new ATOM 0 HE1 PHE A 450 -5.044 0.389 1.333 1.00 71.43 H new ATOM 0 HE2 PHE A 450 -6.268 4.249 2.557 1.00 14.04 H new ATOM 0 HZ PHE A 450 -6.753 1.865 2.249 1.00 4.52 H new ATOM 893 N VAL A 451 0.132 5.514 -1.589 1.00 42.13 N ATOM 894 CA VAL A 451 1.398 6.351 -1.686 1.00 22.21 C ATOM 895 C VAL A 451 1.008 7.872 -1.520 1.00 11.13 C ATOM 896 O VAL A 451 -0.050 8.264 -2.019 1.00 63.24 O ATOM 897 CB VAL A 451 2.173 6.251 -3.093 1.00 65.12 C ATOM 898 CG1 VAL A 451 3.685 6.023 -2.969 1.00 4.43 C ATOM 899 CG2 VAL A 451 1.567 5.259 -4.060 1.00 23.51 C ATOM 0 H VAL A 451 -0.583 5.756 -2.275 1.00 42.13 H new ATOM 0 HA VAL A 451 2.057 5.964 -0.909 1.00 22.21 H new ATOM 0 HB VAL A 451 2.035 7.246 -3.516 1.00 65.12 H new ATOM 0 HG11 VAL A 451 4.127 5.968 -3.964 1.00 4.43 H new ATOM 0 HG12 VAL A 451 4.134 6.849 -2.417 1.00 4.43 H new ATOM 0 HG13 VAL A 451 3.870 5.089 -2.438 1.00 4.43 H new ATOM 0 HG21 VAL A 451 2.146 5.251 -4.983 1.00 23.51 H new ATOM 0 HG22 VAL A 451 1.579 4.264 -3.615 1.00 23.51 H new ATOM 0 HG23 VAL A 451 0.539 5.546 -4.279 1.00 23.51 H new ATOM 909 N SER A 452 1.804 8.744 -0.829 1.00 42.10 N ATOM 910 CA SER A 452 1.536 10.200 -0.820 1.00 31.34 C ATOM 911 C SER A 452 2.838 11.044 -1.263 1.00 22.51 C ATOM 912 O SER A 452 3.948 10.625 -0.923 1.00 64.14 O ATOM 913 CB SER A 452 1.084 10.574 0.608 1.00 32.23 C ATOM 914 OG SER A 452 2.171 10.667 1.525 1.00 34.33 O ATOM 0 H SER A 452 2.619 8.462 -0.284 1.00 42.10 H new ATOM 0 HA SER A 452 0.757 10.444 -1.542 1.00 31.34 H new ATOM 0 HB2 SER A 452 0.556 11.527 0.579 1.00 32.23 H new ATOM 0 HB3 SER A 452 0.375 9.828 0.967 1.00 32.23 H new ATOM 0 HG SER A 452 1.831 10.907 2.412 1.00 34.33 H new ATOM 920 N TYR A 453 2.725 12.211 -2.018 1.00 12.14 N ATOM 921 CA TYR A 453 3.909 13.112 -2.361 1.00 15.54 C ATOM 922 C TYR A 453 3.778 14.529 -1.675 1.00 3.24 C ATOM 923 O TYR A 453 2.749 14.778 -1.043 1.00 23.15 O ATOM 924 CB TYR A 453 3.981 13.347 -3.891 1.00 11.43 C ATOM 925 CG TYR A 453 4.426 12.205 -4.813 1.00 11.42 C ATOM 926 CD1 TYR A 453 5.745 11.706 -4.890 1.00 2.23 C ATOM 927 CD2 TYR A 453 3.489 11.659 -5.674 1.00 15.13 C ATOM 928 CE1 TYR A 453 6.061 10.699 -5.789 1.00 74.34 C ATOM 929 CE2 TYR A 453 3.803 10.664 -6.558 1.00 24.12 C ATOM 930 CZ TYR A 453 5.085 10.183 -6.615 1.00 53.23 C ATOM 931 OH TYR A 453 5.392 9.190 -7.508 1.00 32.43 O ATOM 0 H TYR A 453 1.838 12.544 -2.395 1.00 12.14 H new ATOM 0 HA TYR A 453 4.804 12.606 -1.999 1.00 15.54 H new ATOM 0 HB2 TYR A 453 2.991 13.664 -4.219 1.00 11.43 H new ATOM 0 HB3 TYR A 453 4.657 14.185 -4.061 1.00 11.43 H new ATOM 0 HD1 TYR A 453 6.511 12.111 -4.245 1.00 2.23 H new ATOM 0 HD2 TYR A 453 2.476 12.032 -5.646 1.00 15.13 H new ATOM 0 HE1 TYR A 453 7.071 10.319 -5.842 1.00 74.34 H new ATOM 0 HE2 TYR A 453 3.043 10.258 -7.209 1.00 24.12 H new ATOM 0 HH TYR A 453 6.200 8.722 -7.211 1.00 32.43 H new ATOM 941 N ASP A 454 4.805 15.478 -1.783 1.00 40.00 N ATOM 942 CA ASP A 454 4.674 16.801 -1.108 1.00 62.20 C ATOM 943 C ASP A 454 4.030 17.967 -1.966 1.00 4.12 C ATOM 944 O ASP A 454 3.523 18.904 -1.356 1.00 51.11 O ATOM 945 CB ASP A 454 5.993 17.306 -0.394 1.00 51.25 C ATOM 946 CG ASP A 454 5.702 18.097 0.873 1.00 61.22 C ATOM 947 OD1 ASP A 454 5.337 17.480 1.899 1.00 23.43 O ATOM 948 OD2 ASP A 454 5.864 19.337 0.848 1.00 54.41 O ATOM 0 H ASP A 454 5.671 15.341 -2.304 1.00 40.00 H new ATOM 0 HA ASP A 454 3.942 16.563 -0.336 1.00 62.20 H new ATOM 0 HB2 ASP A 454 6.620 16.449 -0.148 1.00 51.25 H new ATOM 0 HB3 ASP A 454 6.561 17.929 -1.085 1.00 51.25 H new ATOM 953 N ASN A 455 3.978 17.959 -3.345 1.00 34.31 N ATOM 954 CA ASN A 455 3.396 19.151 -4.053 1.00 62.11 C ATOM 955 C ASN A 455 2.656 18.813 -5.393 1.00 21.42 C ATOM 956 O ASN A 455 3.134 17.929 -6.118 1.00 23.32 O ATOM 957 CB ASN A 455 4.402 20.338 -4.196 1.00 53.34 C ATOM 958 CG ASN A 455 5.719 20.125 -4.965 1.00 61.23 C ATOM 959 OD1 ASN A 455 6.153 21.038 -5.662 1.00 73.04 O ATOM 960 ND2 ASN A 455 6.399 18.981 -4.835 1.00 30.42 N ATOM 0 H ASN A 455 4.305 17.202 -3.945 1.00 34.31 H new ATOM 0 HA ASN A 455 2.610 19.501 -3.384 1.00 62.11 H new ATOM 0 HB2 ASN A 455 3.872 21.160 -4.677 1.00 53.34 H new ATOM 0 HB3 ASN A 455 4.660 20.670 -3.191 1.00 53.34 H new ATOM 0 HD21 ASN A 455 7.289 18.859 -5.318 1.00 30.42 H new ATOM 0 HD22 ASN A 455 6.028 18.230 -4.253 1.00 30.42 H new ATOM 967 N PRO A 456 1.430 19.462 -5.736 1.00 44.54 N ATOM 968 CA PRO A 456 0.597 19.096 -6.938 1.00 25.03 C ATOM 969 C PRO A 456 1.283 19.032 -8.375 1.00 31.10 C ATOM 970 O PRO A 456 0.640 18.552 -9.310 1.00 24.23 O ATOM 971 CB PRO A 456 -0.588 20.121 -6.910 1.00 24.31 C ATOM 972 CG PRO A 456 -0.257 21.125 -5.883 1.00 52.44 C ATOM 973 CD PRO A 456 0.603 20.400 -4.900 1.00 31.13 C ATOM 0 HA PRO A 456 0.319 18.047 -6.832 1.00 25.03 H new ATOM 0 HB2 PRO A 456 -0.715 20.592 -7.885 1.00 24.31 H new ATOM 0 HB3 PRO A 456 -1.527 19.620 -6.673 1.00 24.31 H new ATOM 0 HG2 PRO A 456 0.269 21.975 -6.317 1.00 52.44 H new ATOM 0 HG3 PRO A 456 -1.157 21.516 -5.408 1.00 52.44 H new ATOM 0 HD2 PRO A 456 1.233 21.091 -4.339 1.00 31.13 H new ATOM 0 HD3 PRO A 456 0.001 19.856 -4.172 1.00 31.13 H new ATOM 981 N VAL A 457 2.571 19.489 -8.568 1.00 22.12 N ATOM 982 CA VAL A 457 3.286 19.349 -9.905 1.00 64.14 C ATOM 983 C VAL A 457 3.734 17.847 -10.131 1.00 34.41 C ATOM 984 O VAL A 457 3.620 17.348 -11.253 1.00 34.23 O ATOM 985 CB VAL A 457 4.530 20.365 -10.107 1.00 54.32 C ATOM 986 CG1 VAL A 457 5.272 20.171 -11.441 1.00 20.33 C ATOM 987 CG2 VAL A 457 4.143 21.860 -10.074 1.00 40.21 C ATOM 0 H VAL A 457 3.125 19.944 -7.843 1.00 22.12 H new ATOM 0 HA VAL A 457 2.560 19.635 -10.667 1.00 64.14 H new ATOM 0 HB VAL A 457 5.163 20.112 -9.257 1.00 54.32 H new ATOM 0 HG11 VAL A 457 6.093 20.885 -11.508 1.00 20.33 H new ATOM 0 HG12 VAL A 457 5.668 19.157 -11.493 1.00 20.33 H new ATOM 0 HG13 VAL A 457 4.581 20.333 -12.268 1.00 20.33 H new ATOM 0 HG21 VAL A 457 5.035 22.470 -10.217 1.00 40.21 H new ATOM 0 HG22 VAL A 457 3.429 22.069 -10.871 1.00 40.21 H new ATOM 0 HG23 VAL A 457 3.691 22.098 -9.111 1.00 40.21 H new ATOM 997 N SER A 458 4.163 17.098 -9.059 1.00 42.43 N ATOM 998 CA SER A 458 4.648 15.686 -9.230 1.00 31.22 C ATOM 999 C SER A 458 3.513 14.622 -9.479 1.00 32.14 C ATOM 1000 O SER A 458 3.797 13.560 -10.043 1.00 2.22 O ATOM 1001 CB SER A 458 5.598 15.253 -8.078 1.00 74.33 C ATOM 1002 OG SER A 458 5.175 15.753 -6.821 1.00 35.32 O ATOM 0 H SER A 458 4.182 17.438 -8.097 1.00 42.43 H new ATOM 0 HA SER A 458 5.222 15.705 -10.156 1.00 31.22 H new ATOM 0 HB2 SER A 458 5.645 14.165 -8.037 1.00 74.33 H new ATOM 0 HB3 SER A 458 6.607 15.608 -8.288 1.00 74.33 H new ATOM 0 HG SER A 458 5.798 15.457 -6.125 1.00 35.32 H new ATOM 1008 N ALA A 459 2.238 14.904 -9.065 1.00 10.10 N ATOM 1009 CA ALA A 459 1.071 13.993 -9.340 1.00 1.01 C ATOM 1010 C ALA A 459 0.732 13.839 -10.850 1.00 3.53 C ATOM 1011 O ALA A 459 0.392 12.735 -11.269 1.00 3.24 O ATOM 1012 CB ALA A 459 -0.212 14.336 -8.566 1.00 45.11 C ATOM 0 H ALA A 459 1.991 15.746 -8.545 1.00 10.10 H new ATOM 0 HA ALA A 459 1.435 13.036 -8.966 1.00 1.01 H new ATOM 0 HB1 ALA A 459 -0.996 13.626 -8.829 1.00 45.11 H new ATOM 0 HB2 ALA A 459 -0.017 14.281 -7.495 1.00 45.11 H new ATOM 0 HB3 ALA A 459 -0.534 15.345 -8.824 1.00 45.11 H new ATOM 1018 N GLN A 460 0.845 14.930 -11.670 1.00 75.33 N ATOM 1019 CA GLN A 460 0.397 14.910 -13.090 1.00 30.12 C ATOM 1020 C GLN A 460 1.316 14.037 -13.967 1.00 14.51 C ATOM 1021 O GLN A 460 0.837 13.393 -14.908 1.00 34.44 O ATOM 1022 CB GLN A 460 0.249 16.328 -13.711 1.00 30.32 C ATOM 1023 CG GLN A 460 -0.791 17.238 -13.010 1.00 31.12 C ATOM 1024 CD GLN A 460 -2.054 16.526 -12.541 1.00 13.11 C ATOM 1025 OE1 GLN A 460 -3.001 16.352 -13.302 1.00 22.34 O ATOM 1026 NE2 GLN A 460 -2.090 16.178 -11.259 1.00 63.34 N ATOM 0 H GLN A 460 1.239 15.822 -11.371 1.00 75.33 H new ATOM 0 HA GLN A 460 -0.598 14.465 -13.072 1.00 30.12 H new ATOM 0 HB2 GLN A 460 1.220 16.823 -13.687 1.00 30.32 H new ATOM 0 HB3 GLN A 460 -0.029 16.223 -14.760 1.00 30.32 H new ATOM 0 HG2 GLN A 460 -0.317 17.711 -12.150 1.00 31.12 H new ATOM 0 HG3 GLN A 460 -1.075 18.036 -13.696 1.00 31.12 H new ATOM 0 HE21 GLN A 460 -1.279 16.342 -10.663 1.00 63.34 H new ATOM 0 HE22 GLN A 460 -2.929 15.747 -10.871 1.00 63.34 H new ATOM 1035 N ALA A 461 2.633 14.009 -13.658 1.00 23.44 N ATOM 1036 CA ALA A 461 3.574 13.129 -14.383 1.00 22.51 C ATOM 1037 C ALA A 461 3.393 11.623 -14.035 1.00 74.33 C ATOM 1038 O ALA A 461 3.550 10.787 -14.936 1.00 53.12 O ATOM 1039 CB ALA A 461 5.048 13.588 -14.246 1.00 51.21 C ATOM 0 H ALA A 461 3.061 14.575 -12.925 1.00 23.44 H new ATOM 0 HA ALA A 461 3.314 13.229 -15.437 1.00 22.51 H new ATOM 0 HB1 ALA A 461 5.694 12.906 -14.798 1.00 51.21 H new ATOM 0 HB2 ALA A 461 5.155 14.595 -14.650 1.00 51.21 H new ATOM 0 HB3 ALA A 461 5.333 13.587 -13.194 1.00 51.21 H new ATOM 1045 N ALA A 462 3.067 11.249 -12.758 1.00 74.33 N ATOM 1046 CA ALA A 462 2.777 9.839 -12.437 1.00 73.40 C ATOM 1047 C ALA A 462 1.473 9.301 -13.059 1.00 41.40 C ATOM 1048 O ALA A 462 1.494 8.172 -13.508 1.00 2.34 O ATOM 1049 CB ALA A 462 2.825 9.524 -10.929 1.00 14.43 C ATOM 0 H ALA A 462 3.003 11.891 -11.968 1.00 74.33 H new ATOM 0 HA ALA A 462 3.599 9.304 -12.912 1.00 73.40 H new ATOM 0 HB1 ALA A 462 2.602 8.469 -10.770 1.00 14.43 H new ATOM 0 HB2 ALA A 462 3.820 9.746 -10.542 1.00 14.43 H new ATOM 0 HB3 ALA A 462 2.088 10.134 -10.406 1.00 14.43 H new ATOM 1055 N ILE A 463 0.354 10.088 -13.115 1.00 14.35 N ATOM 1056 CA ILE A 463 -0.910 9.614 -13.698 1.00 20.14 C ATOM 1057 C ILE A 463 -0.705 9.161 -15.193 1.00 54.31 C ATOM 1058 O ILE A 463 -1.252 8.135 -15.546 1.00 62.12 O ATOM 1059 CB ILE A 463 -2.105 10.667 -13.458 1.00 2.24 C ATOM 1060 CG1 ILE A 463 -2.364 10.889 -11.889 1.00 71.35 C ATOM 1061 CG2 ILE A 463 -3.425 10.280 -14.186 1.00 24.42 C ATOM 1062 CD1 ILE A 463 -3.570 11.757 -11.478 1.00 64.31 C ATOM 0 H ILE A 463 0.318 11.044 -12.762 1.00 14.35 H new ATOM 0 HA ILE A 463 -1.233 8.716 -13.172 1.00 20.14 H new ATOM 0 HB ILE A 463 -1.776 11.607 -13.901 1.00 2.24 H new ATOM 0 HG12 ILE A 463 -2.483 9.909 -11.427 1.00 71.35 H new ATOM 0 HG13 ILE A 463 -1.467 11.337 -11.461 1.00 71.35 H new ATOM 0 HG21 ILE A 463 -4.187 11.032 -13.981 1.00 24.42 H new ATOM 0 HG22 ILE A 463 -3.246 10.227 -15.260 1.00 24.42 H new ATOM 0 HG23 ILE A 463 -3.767 9.309 -13.827 1.00 24.42 H new ATOM 0 HD11 ILE A 463 -3.620 11.819 -10.391 1.00 64.31 H new ATOM 0 HD12 ILE A 463 -3.456 12.758 -11.894 1.00 64.31 H new ATOM 0 HD13 ILE A 463 -4.488 11.308 -11.859 1.00 64.31 H new ATOM 1074 N GLN A 464 0.155 9.844 -16.029 1.00 14.21 N ATOM 1075 CA GLN A 464 0.539 9.295 -17.389 1.00 1.21 C ATOM 1076 C GLN A 464 1.298 7.906 -17.364 1.00 12.21 C ATOM 1077 O GLN A 464 0.832 6.969 -18.005 1.00 62.32 O ATOM 1078 CB GLN A 464 1.366 10.335 -18.239 1.00 53.20 C ATOM 1079 CG GLN A 464 0.603 11.238 -19.250 1.00 25.52 C ATOM 1080 CD GLN A 464 -0.740 11.894 -18.824 1.00 44.41 C ATOM 1081 OE1 GLN A 464 -1.797 11.280 -18.968 1.00 5.40 O ATOM 1082 NE2 GLN A 464 -0.712 13.155 -18.345 1.00 63.00 N ATOM 0 H GLN A 464 0.582 10.741 -15.799 1.00 14.21 H new ATOM 0 HA GLN A 464 -0.422 9.110 -17.868 1.00 1.21 H new ATOM 0 HB2 GLN A 464 1.893 10.988 -17.543 1.00 53.20 H new ATOM 0 HB3 GLN A 464 2.124 9.782 -18.794 1.00 53.20 H new ATOM 0 HG2 GLN A 464 1.279 12.040 -19.547 1.00 25.52 H new ATOM 0 HG3 GLN A 464 0.407 10.640 -20.140 1.00 25.52 H new ATOM 0 HE21 GLN A 464 0.179 13.640 -18.236 1.00 63.00 H new ATOM 0 HE22 GLN A 464 -1.582 13.624 -18.092 1.00 63.00 H new ATOM 1091 N ALA A 465 2.449 7.762 -16.655 1.00 10.21 N ATOM 1092 CA ALA A 465 3.271 6.472 -16.699 1.00 44.44 C ATOM 1093 C ALA A 465 2.733 5.300 -15.768 1.00 62.41 C ATOM 1094 O ALA A 465 3.301 4.202 -15.746 1.00 11.42 O ATOM 1095 CB ALA A 465 4.781 6.753 -16.445 1.00 2.13 C ATOM 0 H ALA A 465 2.840 8.488 -16.055 1.00 10.21 H new ATOM 0 HA ALA A 465 3.147 6.097 -17.715 1.00 44.44 H new ATOM 0 HB1 ALA A 465 5.337 5.816 -16.483 1.00 2.13 H new ATOM 0 HB2 ALA A 465 5.159 7.430 -17.211 1.00 2.13 H new ATOM 0 HB3 ALA A 465 4.906 7.210 -15.463 1.00 2.13 H new ATOM 1101 N MET A 466 1.636 5.562 -15.033 1.00 12.24 N ATOM 1102 CA MET A 466 0.997 4.663 -14.016 1.00 4.13 C ATOM 1103 C MET A 466 -0.455 4.310 -14.387 1.00 31.40 C ATOM 1104 O MET A 466 -1.016 3.390 -13.787 1.00 64.41 O ATOM 1105 CB MET A 466 1.039 5.235 -12.564 1.00 44.14 C ATOM 1106 CG MET A 466 2.348 5.019 -11.793 1.00 11.00 C ATOM 1107 SD MET A 466 3.847 5.612 -12.596 1.00 22.05 S ATOM 1108 CE MET A 466 5.068 4.691 -11.665 1.00 63.31 C ATOM 0 H MET A 466 1.136 6.446 -15.126 1.00 12.24 H new ATOM 0 HA MET A 466 1.601 3.756 -14.030 1.00 4.13 H new ATOM 0 HB2 MET A 466 0.841 6.306 -12.611 1.00 44.14 H new ATOM 0 HB3 MET A 466 0.226 4.785 -11.994 1.00 44.14 H new ATOM 0 HG2 MET A 466 2.261 5.510 -10.824 1.00 11.00 H new ATOM 0 HG3 MET A 466 2.461 3.952 -11.601 1.00 11.00 H new ATOM 0 HE1 MET A 466 6.065 4.936 -12.031 1.00 63.31 H new ATOM 0 HE2 MET A 466 4.994 4.953 -10.609 1.00 63.31 H new ATOM 0 HE3 MET A 466 4.889 3.623 -11.787 1.00 63.31 H new ATOM 1118 N ASN A 467 -1.111 5.013 -15.340 1.00 74.33 N ATOM 1119 CA ASN A 467 -2.297 4.427 -15.932 1.00 42.41 C ATOM 1120 C ASN A 467 -1.810 3.371 -17.007 1.00 53.14 C ATOM 1121 O ASN A 467 -0.934 3.701 -17.810 1.00 40.11 O ATOM 1122 CB ASN A 467 -3.356 5.468 -16.482 1.00 31.41 C ATOM 1123 CG ASN A 467 -2.932 6.543 -17.500 1.00 30.35 C ATOM 1124 OD1 ASN A 467 -3.480 7.648 -17.469 1.00 75.12 O ATOM 1125 ND2 ASN A 467 -2.065 6.252 -18.447 1.00 31.42 N ATOM 0 H ASN A 467 -0.845 5.934 -15.689 1.00 74.33 H new ATOM 0 HA ASN A 467 -2.874 3.929 -15.153 1.00 42.41 H new ATOM 0 HB2 ASN A 467 -4.166 4.896 -16.935 1.00 31.41 H new ATOM 0 HB3 ASN A 467 -3.776 5.987 -15.620 1.00 31.41 H new ATOM 0 HD21 ASN A 467 -1.841 6.943 -19.163 1.00 31.42 H new ATOM 0 HD22 ASN A 467 -1.617 5.336 -18.464 1.00 31.42 H new ATOM 1132 N GLY A 468 -2.298 2.106 -17.023 1.00 53.24 N ATOM 1133 CA GLY A 468 -1.789 1.144 -18.034 1.00 40.32 C ATOM 1134 C GLY A 468 -0.560 0.244 -17.712 1.00 71.10 C ATOM 1135 O GLY A 468 0.025 -0.237 -18.677 1.00 61.34 O ATOM 0 H GLY A 468 -3.005 1.741 -16.385 1.00 53.24 H new ATOM 0 HA2 GLY A 468 -2.615 0.482 -18.294 1.00 40.32 H new ATOM 0 HA3 GLY A 468 -1.545 1.716 -18.929 1.00 40.32 H new ATOM 1139 N PHE A 469 -0.106 0.009 -16.455 1.00 0.23 N ATOM 1140 CA PHE A 469 1.187 -0.739 -16.277 1.00 64.50 C ATOM 1141 C PHE A 469 0.893 -2.290 -16.337 1.00 51.33 C ATOM 1142 O PHE A 469 0.231 -2.818 -15.442 1.00 3.04 O ATOM 1143 CB PHE A 469 1.939 -0.353 -14.932 1.00 44.12 C ATOM 1144 CG PHE A 469 3.473 -0.302 -15.007 1.00 1.01 C ATOM 1145 CD1 PHE A 469 4.236 -1.440 -15.252 1.00 4.12 C ATOM 1146 CD2 PHE A 469 4.160 0.893 -14.774 1.00 64.14 C ATOM 1147 CE1 PHE A 469 5.631 -1.383 -15.264 1.00 12.43 C ATOM 1148 CE2 PHE A 469 5.547 0.947 -14.794 1.00 13.30 C ATOM 1149 CZ PHE A 469 6.275 -0.192 -15.035 1.00 71.43 C ATOM 0 H PHE A 469 -0.571 0.300 -15.595 1.00 0.23 H new ATOM 0 HA PHE A 469 1.859 -0.455 -17.087 1.00 64.50 H new ATOM 0 HB2 PHE A 469 1.579 0.622 -14.605 1.00 44.12 H new ATOM 0 HB3 PHE A 469 1.657 -1.071 -14.162 1.00 44.12 H new ATOM 0 HD1 PHE A 469 3.741 -2.382 -15.436 1.00 4.12 H new ATOM 0 HD2 PHE A 469 3.599 1.794 -14.574 1.00 64.14 H new ATOM 0 HE1 PHE A 469 6.205 -2.278 -15.454 1.00 12.43 H new ATOM 0 HE2 PHE A 469 6.053 1.885 -14.620 1.00 13.30 H new ATOM 0 HZ PHE A 469 7.354 -0.151 -15.044 1.00 71.43 H new ATOM 1159 N GLN A 470 1.365 -3.014 -17.402 1.00 72.44 N ATOM 1160 CA GLN A 470 0.990 -4.444 -17.653 1.00 73.04 C ATOM 1161 C GLN A 470 2.165 -5.443 -17.268 1.00 1.13 C ATOM 1162 O GLN A 470 3.268 -5.313 -17.803 1.00 2.12 O ATOM 1163 CB GLN A 470 0.633 -4.483 -19.185 1.00 4.32 C ATOM 1164 CG GLN A 470 0.097 -5.789 -19.861 1.00 21.14 C ATOM 1165 CD GLN A 470 -1.370 -5.712 -20.249 1.00 34.10 C ATOM 1166 OE1 GLN A 470 -1.705 -5.134 -21.279 1.00 22.13 O ATOM 1167 NE2 GLN A 470 -2.252 -6.381 -19.505 1.00 14.21 N ATOM 0 H GLN A 470 2.004 -2.630 -18.098 1.00 72.44 H new ATOM 0 HA GLN A 470 0.155 -4.773 -17.035 1.00 73.04 H new ATOM 0 HB2 GLN A 470 -0.112 -3.707 -19.358 1.00 4.32 H new ATOM 0 HB3 GLN A 470 1.531 -4.189 -19.728 1.00 4.32 H new ATOM 0 HG2 GLN A 470 0.690 -5.997 -20.752 1.00 21.14 H new ATOM 0 HG3 GLN A 470 0.241 -6.627 -19.179 1.00 21.14 H new ATOM 0 HE21 GLN A 470 -1.947 -6.853 -18.653 1.00 14.21 H new ATOM 0 HE22 GLN A 470 -3.231 -6.421 -19.788 1.00 14.21 H new ATOM 1176 N ILE A 471 1.937 -6.436 -16.321 1.00 31.41 N ATOM 1177 CA ILE A 471 3.031 -7.353 -15.776 1.00 13.20 C ATOM 1178 C ILE A 471 2.432 -8.787 -15.526 1.00 72.54 C ATOM 1179 O ILE A 471 1.838 -8.985 -14.458 1.00 22.24 O ATOM 1180 CB ILE A 471 3.628 -6.850 -14.364 1.00 14.30 C ATOM 1181 CG1 ILE A 471 3.630 -5.302 -14.309 1.00 2.33 C ATOM 1182 CG2 ILE A 471 5.054 -7.363 -14.103 1.00 34.04 C ATOM 1183 CD1 ILE A 471 4.130 -4.623 -13.028 1.00 53.52 C ATOM 0 H ILE A 471 1.016 -6.621 -15.923 1.00 31.41 H new ATOM 0 HA ILE A 471 3.828 -7.354 -16.519 1.00 13.20 H new ATOM 0 HB ILE A 471 2.981 -7.260 -13.588 1.00 14.30 H new ATOM 0 HG12 ILE A 471 4.239 -4.940 -15.137 1.00 2.33 H new ATOM 0 HG13 ILE A 471 2.611 -4.961 -14.490 1.00 2.33 H new ATOM 0 HG21 ILE A 471 5.403 -6.993 -13.139 1.00 34.04 H new ATOM 0 HG22 ILE A 471 5.053 -8.453 -14.094 1.00 34.04 H new ATOM 0 HG23 ILE A 471 5.718 -7.007 -14.891 1.00 34.04 H new ATOM 0 HD11 ILE A 471 4.071 -3.541 -13.143 1.00 53.52 H new ATOM 0 HD12 ILE A 471 3.511 -4.933 -12.186 1.00 53.52 H new ATOM 0 HD13 ILE A 471 5.165 -4.912 -12.843 1.00 53.52 H new ATOM 1195 N GLY A 472 2.522 -9.783 -16.482 1.00 71.01 N ATOM 1196 CA GLY A 472 1.935 -11.123 -16.227 1.00 72.14 C ATOM 1197 C GLY A 472 0.360 -11.100 -16.312 1.00 31.31 C ATOM 1198 O GLY A 472 -0.161 -10.662 -17.338 1.00 34.42 O ATOM 0 H GLY A 472 2.976 -9.676 -17.389 1.00 71.01 H new ATOM 0 HA2 GLY A 472 2.328 -11.836 -16.953 1.00 72.14 H new ATOM 0 HA3 GLY A 472 2.240 -11.472 -15.240 1.00 72.14 H new ATOM 1202 N MET A 473 -0.414 -11.540 -15.274 1.00 33.41 N ATOM 1203 CA MET A 473 -1.939 -11.557 -15.379 1.00 62.32 C ATOM 1204 C MET A 473 -2.723 -10.440 -14.583 1.00 31.51 C ATOM 1205 O MET A 473 -3.884 -10.645 -14.225 1.00 54.31 O ATOM 1206 CB MET A 473 -2.497 -13.014 -15.143 1.00 21.05 C ATOM 1207 CG MET A 473 -2.247 -13.733 -13.794 1.00 24.03 C ATOM 1208 SD MET A 473 -3.286 -13.181 -12.417 1.00 65.54 S ATOM 1209 CE MET A 473 -2.905 -14.419 -11.166 1.00 63.23 C ATOM 0 H MET A 473 -0.044 -11.877 -14.385 1.00 33.41 H new ATOM 0 HA MET A 473 -2.149 -11.265 -16.408 1.00 62.32 H new ATOM 0 HB2 MET A 473 -3.576 -12.976 -15.294 1.00 21.05 H new ATOM 0 HB3 MET A 473 -2.087 -13.649 -15.929 1.00 21.05 H new ATOM 0 HG2 MET A 473 -2.401 -14.802 -13.937 1.00 24.03 H new ATOM 0 HG3 MET A 473 -1.202 -13.596 -13.516 1.00 24.03 H new ATOM 0 HE1 MET A 473 -3.473 -14.208 -10.260 1.00 63.23 H new ATOM 0 HE2 MET A 473 -3.172 -15.408 -11.539 1.00 63.23 H new ATOM 0 HE3 MET A 473 -1.839 -14.392 -10.940 1.00 63.23 H new ATOM 1219 N LYS A 474 -2.131 -9.227 -14.388 1.00 12.33 N ATOM 1220 CA LYS A 474 -2.855 -8.058 -13.827 1.00 4.33 C ATOM 1221 C LYS A 474 -2.438 -6.730 -14.543 1.00 13.44 C ATOM 1222 O LYS A 474 -1.306 -6.629 -15.029 1.00 13.24 O ATOM 1223 CB LYS A 474 -2.645 -7.888 -12.297 1.00 4.33 C ATOM 1224 CG LYS A 474 -3.738 -8.624 -11.425 1.00 32.45 C ATOM 1225 CD LYS A 474 -3.839 -8.140 -9.975 1.00 74.41 C ATOM 1226 CE LYS A 474 -5.045 -8.734 -9.212 1.00 5.24 C ATOM 1227 NZ LYS A 474 -4.880 -8.612 -7.730 1.00 63.30 N ATOM 0 H LYS A 474 -1.154 -9.038 -14.612 1.00 12.33 H new ATOM 0 HA LYS A 474 -3.911 -8.261 -14.005 1.00 4.33 H new ATOM 0 HB2 LYS A 474 -1.660 -8.270 -12.029 1.00 4.33 H new ATOM 0 HB3 LYS A 474 -2.652 -6.826 -12.053 1.00 4.33 H new ATOM 0 HG2 LYS A 474 -4.709 -8.498 -11.903 1.00 32.45 H new ATOM 0 HG3 LYS A 474 -3.521 -9.692 -11.422 1.00 32.45 H new ATOM 0 HD2 LYS A 474 -2.921 -8.401 -9.448 1.00 74.41 H new ATOM 0 HD3 LYS A 474 -3.913 -7.053 -9.967 1.00 74.41 H new ATOM 0 HE2 LYS A 474 -5.957 -8.223 -9.519 1.00 5.24 H new ATOM 0 HE3 LYS A 474 -5.163 -9.784 -9.479 1.00 5.24 H new ATOM 0 HZ1 LYS A 474 -4.822 -9.561 -7.308 1.00 63.30 H new ATOM 0 HZ2 LYS A 474 -4.008 -8.086 -7.520 1.00 63.30 H new ATOM 0 HZ3 LYS A 474 -5.695 -8.104 -7.331 1.00 63.30 H new ATOM 1241 N ARG A 475 -3.351 -5.724 -14.629 1.00 14.41 N ATOM 1242 CA ARG A 475 -2.960 -4.314 -14.906 1.00 13.34 C ATOM 1243 C ARG A 475 -2.965 -3.453 -13.581 1.00 3.54 C ATOM 1244 O ARG A 475 -3.772 -3.727 -12.695 1.00 60.23 O ATOM 1245 CB ARG A 475 -3.946 -3.537 -15.873 1.00 65.22 C ATOM 1246 CG ARG A 475 -3.947 -3.842 -17.374 1.00 71.31 C ATOM 1247 CD ARG A 475 -3.242 -2.707 -18.169 1.00 14.41 C ATOM 1248 NE ARG A 475 -3.184 -2.966 -19.612 1.00 34.04 N ATOM 1249 CZ ARG A 475 -4.058 -2.487 -20.515 1.00 71.42 C ATOM 1250 NH1 ARG A 475 -5.097 -1.749 -20.141 1.00 11.11 N ATOM 1251 NH2 ARG A 475 -3.899 -2.761 -21.801 1.00 40.11 N ATOM 0 H ARG A 475 -4.355 -5.862 -14.512 1.00 14.41 H new ATOM 0 HA ARG A 475 -1.976 -4.412 -15.365 1.00 13.34 H new ATOM 0 HB2 ARG A 475 -4.959 -3.707 -15.507 1.00 65.22 H new ATOM 0 HB3 ARG A 475 -3.740 -2.473 -15.759 1.00 65.22 H new ATOM 0 HG2 ARG A 475 -3.440 -4.789 -17.557 1.00 71.31 H new ATOM 0 HG3 ARG A 475 -4.972 -3.956 -17.726 1.00 71.31 H new ATOM 0 HD2 ARG A 475 -3.768 -1.769 -17.995 1.00 14.41 H new ATOM 0 HD3 ARG A 475 -2.229 -2.580 -17.788 1.00 14.41 H new ATOM 0 HE ARG A 475 -2.424 -3.553 -19.956 1.00 34.04 H new ATOM 0 HH11 ARG A 475 -5.243 -1.537 -19.154 1.00 11.11 H new ATOM 0 HH12 ARG A 475 -5.749 -1.395 -20.841 1.00 11.11 H new ATOM 0 HH21 ARG A 475 -3.114 -3.335 -22.107 1.00 40.11 H new ATOM 0 HH22 ARG A 475 -4.562 -2.398 -22.486 1.00 40.11 H new ATOM 1265 N LEU A 476 -2.072 -2.424 -13.457 1.00 22.32 N ATOM 1266 CA LEU A 476 -2.188 -1.316 -12.450 1.00 73.32 C ATOM 1267 C LEU A 476 -3.323 -0.282 -12.913 1.00 60.10 C ATOM 1268 O LEU A 476 -3.340 0.069 -14.098 1.00 41.22 O ATOM 1269 CB LEU A 476 -0.804 -0.554 -12.385 1.00 50.34 C ATOM 1270 CG LEU A 476 -0.401 0.253 -11.123 1.00 64.44 C ATOM 1271 CD1 LEU A 476 0.411 -0.582 -10.116 1.00 60.53 C ATOM 1272 CD2 LEU A 476 0.452 1.453 -11.495 1.00 31.21 C ATOM 0 H LEU A 476 -1.249 -2.338 -14.053 1.00 22.32 H new ATOM 0 HA LEU A 476 -2.448 -1.729 -11.475 1.00 73.32 H new ATOM 0 HB2 LEU A 476 -0.022 -1.294 -12.555 1.00 50.34 H new ATOM 0 HB3 LEU A 476 -0.778 0.136 -13.228 1.00 50.34 H new ATOM 0 HG LEU A 476 -1.341 0.562 -10.665 1.00 64.44 H new ATOM 0 HD11 LEU A 476 0.665 0.034 -9.254 1.00 60.53 H new ATOM 0 HD12 LEU A 476 -0.182 -1.436 -9.790 1.00 60.53 H new ATOM 0 HD13 LEU A 476 1.326 -0.936 -10.591 1.00 60.53 H new ATOM 0 HD21 LEU A 476 0.721 2.002 -10.593 1.00 31.21 H new ATOM 0 HD22 LEU A 476 1.358 1.114 -11.997 1.00 31.21 H new ATOM 0 HD23 LEU A 476 -0.110 2.106 -12.163 1.00 31.21 H new ATOM 1284 N LYS A 477 -4.255 0.206 -12.014 1.00 15.25 N ATOM 1285 CA LYS A 477 -5.240 1.330 -12.380 1.00 25.23 C ATOM 1286 C LYS A 477 -5.298 2.397 -11.213 1.00 61.44 C ATOM 1287 O LYS A 477 -5.767 2.063 -10.124 1.00 64.01 O ATOM 1288 CB LYS A 477 -6.675 0.801 -12.859 1.00 72.35 C ATOM 1289 CG LYS A 477 -7.937 1.799 -13.038 1.00 64.23 C ATOM 1290 CD LYS A 477 -7.685 3.131 -13.775 1.00 3.41 C ATOM 1291 CE LYS A 477 -8.939 4.050 -13.728 1.00 43.12 C ATOM 1292 NZ LYS A 477 -9.174 4.587 -12.358 1.00 21.34 N ATOM 0 H LYS A 477 -4.354 -0.140 -11.059 1.00 15.25 H new ATOM 0 HA LYS A 477 -4.858 1.836 -13.266 1.00 25.23 H new ATOM 0 HB2 LYS A 477 -6.525 0.308 -13.819 1.00 72.35 H new ATOM 0 HB3 LYS A 477 -6.980 0.031 -12.150 1.00 72.35 H new ATOM 0 HG2 LYS A 477 -8.720 1.261 -13.572 1.00 64.23 H new ATOM 0 HG3 LYS A 477 -8.328 2.030 -12.047 1.00 64.23 H new ATOM 0 HD2 LYS A 477 -6.838 3.645 -13.321 1.00 3.41 H new ATOM 0 HD3 LYS A 477 -7.418 2.930 -14.812 1.00 3.41 H new ATOM 0 HE2 LYS A 477 -8.811 4.877 -14.427 1.00 43.12 H new ATOM 0 HE3 LYS A 477 -9.815 3.489 -14.055 1.00 43.12 H new ATOM 0 HZ1 LYS A 477 -9.896 5.335 -12.397 1.00 21.34 H new ATOM 0 HZ2 LYS A 477 -9.502 3.821 -11.736 1.00 21.34 H new ATOM 0 HZ3 LYS A 477 -8.288 4.981 -11.983 1.00 21.34 H new ATOM 1306 N VAL A 478 -4.824 3.684 -11.428 1.00 55.02 N ATOM 1307 CA VAL A 478 -4.632 4.667 -10.342 1.00 1.10 C ATOM 1308 C VAL A 478 -5.932 5.543 -10.097 1.00 41.23 C ATOM 1309 O VAL A 478 -6.625 5.869 -11.069 1.00 72.30 O ATOM 1310 CB VAL A 478 -3.327 5.570 -10.682 1.00 73.53 C ATOM 1311 CG1 VAL A 478 -3.393 7.049 -10.304 1.00 41.34 C ATOM 1312 CG2 VAL A 478 -2.050 5.049 -10.030 1.00 40.24 C ATOM 0 H VAL A 478 -4.575 4.040 -12.351 1.00 55.02 H new ATOM 0 HA VAL A 478 -4.459 4.141 -9.403 1.00 1.10 H new ATOM 0 HB VAL A 478 -3.314 5.484 -11.769 1.00 73.53 H new ATOM 0 HG11 VAL A 478 -2.460 7.538 -10.584 1.00 41.34 H new ATOM 0 HG12 VAL A 478 -4.223 7.522 -10.829 1.00 41.34 H new ATOM 0 HG13 VAL A 478 -3.543 7.143 -9.229 1.00 41.34 H new ATOM 0 HG21 VAL A 478 -1.215 5.697 -10.297 1.00 40.24 H new ATOM 0 HG22 VAL A 478 -2.172 5.041 -8.947 1.00 40.24 H new ATOM 0 HG23 VAL A 478 -1.850 4.036 -10.380 1.00 40.24 H new ATOM 1322 N GLN A 479 -6.296 5.885 -8.799 1.00 74.24 N ATOM 1323 CA GLN A 479 -7.483 6.708 -8.487 1.00 4.51 C ATOM 1324 C GLN A 479 -7.078 7.805 -7.440 1.00 23.55 C ATOM 1325 O GLN A 479 -6.270 7.504 -6.566 1.00 64.33 O ATOM 1326 CB GLN A 479 -8.649 5.767 -7.940 1.00 31.55 C ATOM 1327 CG GLN A 479 -8.202 4.727 -6.869 1.00 51.23 C ATOM 1328 CD GLN A 479 -8.516 5.111 -5.416 1.00 53.21 C ATOM 1329 OE1 GLN A 479 -8.685 6.282 -5.082 1.00 5.21 O ATOM 1330 NE2 GLN A 479 -8.512 4.117 -4.513 1.00 73.14 N ATOM 0 H GLN A 479 -5.771 5.592 -7.975 1.00 74.24 H new ATOM 0 HA GLN A 479 -7.853 7.210 -9.381 1.00 4.51 H new ATOM 0 HB2 GLN A 479 -9.432 6.394 -7.513 1.00 31.55 H new ATOM 0 HB3 GLN A 479 -9.091 5.234 -8.782 1.00 31.55 H new ATOM 0 HG2 GLN A 479 -8.683 3.774 -7.088 1.00 51.23 H new ATOM 0 HG3 GLN A 479 -7.127 4.571 -6.963 1.00 51.23 H new ATOM 0 HE21 GLN A 479 -8.370 3.153 -4.816 1.00 73.14 H new ATOM 0 HE22 GLN A 479 -8.651 4.326 -3.524 1.00 73.14 H new