USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 597 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= 0.093 X(o=0.18,f=-0.17) USER MOD Set 1.2: A 435 LYS NZ :NH3+ 177:sc= 0.0885 (180deg=0) USER MOD Single : A 399 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00236) USER MOD Single : A 406 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 410 TYR OH : rot 180:sc= 0 USER MOD Single : A 411 HIS : no HD1:sc= -0.419 X(o=-0.42,f=-0.82) USER MOD Single : A 414 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 419 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 423 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 424 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 426 MET CE :methyl -148:sc= -1.16 (180deg=-3.03!) USER MOD Single : A 430 ASN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 433 SER OG : rot 36:sc= 0.0209 USER MOD Single : A 452 SER OG : rot 100:sc=-0.00933 USER MOD Single : A 453 TYR OH : rot -97:sc= 1.12 USER MOD Single : A 455 ASN : amide:sc= -1.32 K(o=-1.3,f=-6.6!) USER MOD Single : A 458 SER OG : rot 95:sc= 0.381 USER MOD Single : A 460 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 464 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 466 MET CE :methyl -162:sc= -0.124 (180deg=-0.496) USER MOD Single : A 467 ASN : amide:sc= -0.116 K(o=-0.12,f=-1.4!) USER MOD Single : A 470 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 473 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 474 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00481) USER MOD Single : A 477 LYS NZ :NH3+ 168:sc= -0.0134 (180deg=-0.165) USER MOD Single : A 479 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 481 LYS NZ :NH3+ -146:sc= 0.729 (180deg=0.231) USER MOD Single : A 483 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 56 N GLN A 398 -2.399 -8.442 8.633 1.00 24.43 N ATOM 57 CA GLN A 398 -1.875 -8.007 7.321 1.00 54.21 C ATOM 58 C GLN A 398 -0.800 -8.973 6.803 1.00 21.41 C ATOM 59 O GLN A 398 0.184 -9.248 7.505 1.00 71.33 O ATOM 60 CB GLN A 398 -1.269 -6.585 7.429 1.00 31.15 C ATOM 61 CG GLN A 398 -2.196 -5.526 8.045 1.00 71.42 C ATOM 62 CD GLN A 398 -1.501 -4.177 8.250 1.00 62.31 C ATOM 63 OE1 GLN A 398 -1.514 -3.315 7.374 1.00 41.12 O ATOM 64 NE2 GLN A 398 -0.884 -3.990 9.421 1.00 23.20 N ATOM 0 HA GLN A 398 -2.709 -8.000 6.619 1.00 54.21 H new ATOM 0 HB2 GLN A 398 -0.358 -6.639 8.026 1.00 31.15 H new ATOM 0 HB3 GLN A 398 -0.978 -6.255 6.432 1.00 31.15 H new ATOM 0 HG2 GLN A 398 -3.063 -5.389 7.399 1.00 71.42 H new ATOM 0 HG3 GLN A 398 -2.567 -5.888 9.004 1.00 71.42 H new ATOM 0 HE21 GLN A 398 -0.893 -4.727 10.126 1.00 23.20 H new ATOM 0 HE22 GLN A 398 -0.404 -3.110 9.610 1.00 23.20 H new ATOM 73 N LYS A 399 -1.015 -9.503 5.583 1.00 1.34 N ATOM 74 CA LYS A 399 -0.060 -10.466 4.992 1.00 61.40 C ATOM 75 C LYS A 399 1.153 -9.642 4.507 1.00 61.31 C ATOM 76 O LYS A 399 1.043 -8.909 3.517 1.00 1.05 O ATOM 77 CB LYS A 399 -0.766 -11.231 3.794 1.00 1.24 C ATOM 78 CG LYS A 399 -0.253 -12.658 3.335 1.00 12.15 C ATOM 79 CD LYS A 399 1.281 -12.773 3.105 1.00 61.33 C ATOM 80 CE LYS A 399 1.747 -14.221 2.925 1.00 32.12 C ATOM 81 NZ LYS A 399 1.766 -14.967 4.210 1.00 32.20 N ATOM 0 H LYS A 399 -1.822 -9.288 4.997 1.00 1.34 H new ATOM 0 HA LYS A 399 0.267 -11.219 5.709 1.00 61.40 H new ATOM 0 HB2 LYS A 399 -1.819 -11.337 4.056 1.00 1.24 H new ATOM 0 HB3 LYS A 399 -0.719 -10.577 2.923 1.00 1.24 H new ATOM 0 HG2 LYS A 399 -0.546 -13.390 4.087 1.00 12.15 H new ATOM 0 HG3 LYS A 399 -0.763 -12.929 2.411 1.00 12.15 H new ATOM 0 HD2 LYS A 399 1.556 -12.195 2.223 1.00 61.33 H new ATOM 0 HD3 LYS A 399 1.805 -12.330 3.952 1.00 61.33 H new ATOM 0 HE2 LYS A 399 1.087 -14.729 2.222 1.00 32.12 H new ATOM 0 HE3 LYS A 399 2.745 -14.228 2.488 1.00 32.12 H new ATOM 0 HZ1 LYS A 399 2.120 -15.931 4.046 1.00 32.20 H new ATOM 0 HZ2 LYS A 399 2.389 -14.480 4.885 1.00 32.20 H new ATOM 0 HZ3 LYS A 399 0.803 -15.013 4.599 1.00 32.20 H new ATOM 95 N GLU A 400 2.308 -9.731 5.208 1.00 21.54 N ATOM 96 CA GLU A 400 3.533 -9.127 4.672 1.00 41.44 C ATOM 97 C GLU A 400 4.344 -10.132 3.816 1.00 22.24 C ATOM 98 O GLU A 400 4.179 -11.343 4.015 1.00 21.12 O ATOM 99 CB GLU A 400 4.396 -8.469 5.800 1.00 55.34 C ATOM 100 CG GLU A 400 4.628 -9.307 7.077 1.00 61.43 C ATOM 101 CD GLU A 400 5.797 -8.792 7.907 1.00 21.14 C ATOM 102 OE1 GLU A 400 6.344 -7.712 7.584 1.00 12.31 O ATOM 103 OE2 GLU A 400 6.172 -9.476 8.880 1.00 31.55 O ATOM 0 H GLU A 400 2.410 -10.197 6.109 1.00 21.54 H new ATOM 0 HA GLU A 400 3.231 -8.322 4.001 1.00 41.44 H new ATOM 0 HB2 GLU A 400 5.369 -8.215 5.379 1.00 55.34 H new ATOM 0 HB3 GLU A 400 3.919 -7.533 6.090 1.00 55.34 H new ATOM 0 HG2 GLU A 400 3.723 -9.297 7.684 1.00 61.43 H new ATOM 0 HG3 GLU A 400 4.813 -10.344 6.799 1.00 61.43 H new ATOM 110 N GLY A 401 5.126 -9.623 2.788 1.00 64.20 N ATOM 111 CA GLY A 401 6.100 -10.445 2.058 1.00 10.25 C ATOM 112 C GLY A 401 6.893 -11.436 2.936 1.00 2.43 C ATOM 113 O GLY A 401 7.451 -11.020 3.962 1.00 51.45 O ATOM 0 H GLY A 401 5.080 -8.655 2.471 1.00 64.20 H new ATOM 0 HA2 GLY A 401 5.575 -11.005 1.285 1.00 10.25 H new ATOM 0 HA3 GLY A 401 6.804 -9.785 1.551 1.00 10.25 H new ATOM 117 N PRO A 402 6.979 -12.763 2.573 1.00 11.23 N ATOM 118 CA PRO A 402 7.582 -13.780 3.421 1.00 63.15 C ATOM 119 C PRO A 402 9.109 -13.816 3.293 1.00 75.44 C ATOM 120 O PRO A 402 9.722 -12.953 2.642 1.00 53.24 O ATOM 121 CB PRO A 402 6.950 -15.085 2.904 1.00 64.53 C ATOM 122 CG PRO A 402 6.900 -14.881 1.446 1.00 22.22 C ATOM 123 CD PRO A 402 6.555 -13.404 1.283 1.00 41.43 C ATOM 0 HA PRO A 402 7.401 -13.598 4.480 1.00 63.15 H new ATOM 0 HB2 PRO A 402 7.551 -15.955 3.168 1.00 64.53 H new ATOM 0 HB3 PRO A 402 5.956 -15.244 3.322 1.00 64.53 H new ATOM 0 HG2 PRO A 402 7.855 -15.120 0.978 1.00 22.22 H new ATOM 0 HG3 PRO A 402 6.148 -15.519 0.981 1.00 22.22 H new ATOM 0 HD2 PRO A 402 7.080 -12.967 0.434 1.00 41.43 H new ATOM 0 HD3 PRO A 402 5.489 -13.265 1.104 1.00 41.43 H new ATOM 131 N GLU A 403 9.685 -14.762 4.031 1.00 20.45 N ATOM 132 CA GLU A 403 11.097 -15.175 3.953 1.00 64.10 C ATOM 133 C GLU A 403 11.786 -14.963 2.534 1.00 33.41 C ATOM 134 O GLU A 403 11.455 -15.675 1.574 1.00 11.24 O ATOM 135 CB GLU A 403 11.000 -16.695 4.227 1.00 54.21 C ATOM 136 CG GLU A 403 11.331 -17.073 5.654 1.00 3.41 C ATOM 137 CD GLU A 403 10.759 -18.413 6.071 1.00 73.41 C ATOM 138 OE1 GLU A 403 11.285 -19.452 5.630 1.00 2.54 O ATOM 139 OE2 GLU A 403 9.786 -18.428 6.862 1.00 34.13 O ATOM 0 H GLU A 403 9.164 -15.289 4.732 1.00 20.45 H new ATOM 0 HA GLU A 403 11.706 -14.586 4.638 1.00 64.10 H new ATOM 0 HB2 GLU A 403 9.991 -17.034 3.994 1.00 54.21 H new ATOM 0 HB3 GLU A 403 11.676 -17.221 3.554 1.00 54.21 H new ATOM 0 HG2 GLU A 403 12.414 -17.096 5.774 1.00 3.41 H new ATOM 0 HG3 GLU A 403 10.952 -16.301 6.324 1.00 3.41 H new ATOM 146 N GLY A 404 12.728 -13.951 2.400 1.00 64.24 N ATOM 147 CA GLY A 404 13.631 -13.855 1.250 1.00 24.24 C ATOM 148 C GLY A 404 13.300 -12.729 0.287 1.00 42.54 C ATOM 149 O GLY A 404 14.219 -12.176 -0.327 1.00 41.13 O ATOM 0 H GLY A 404 12.856 -13.209 3.088 1.00 64.24 H new ATOM 0 HA2 GLY A 404 14.650 -13.719 1.613 1.00 24.24 H new ATOM 0 HA3 GLY A 404 13.610 -14.800 0.707 1.00 24.24 H new ATOM 153 N ALA A 405 12.028 -12.358 0.111 1.00 52.52 N ATOM 154 CA ALA A 405 11.747 -11.176 -0.681 1.00 15.22 C ATOM 155 C ALA A 405 10.894 -10.214 0.100 1.00 5.54 C ATOM 156 O ALA A 405 9.816 -10.578 0.592 1.00 51.51 O ATOM 157 CB ALA A 405 11.114 -11.515 -2.027 1.00 64.33 C ATOM 0 H ALA A 405 11.214 -12.841 0.491 1.00 52.52 H new ATOM 0 HA ALA A 405 12.700 -10.695 -0.902 1.00 15.22 H new ATOM 0 HB1 ALA A 405 10.923 -10.596 -2.581 1.00 64.33 H new ATOM 0 HB2 ALA A 405 11.792 -12.149 -2.598 1.00 64.33 H new ATOM 0 HB3 ALA A 405 10.174 -12.042 -1.864 1.00 64.33 H new ATOM 163 N ASN A 406 11.366 -8.990 0.199 1.00 32.13 N ATOM 164 CA ASN A 406 10.580 -7.911 0.808 1.00 51.15 C ATOM 165 C ASN A 406 10.583 -6.686 -0.156 1.00 64.42 C ATOM 166 O ASN A 406 11.656 -6.115 -0.355 1.00 40.41 O ATOM 167 CB ASN A 406 11.223 -7.582 2.185 1.00 43.30 C ATOM 168 CG ASN A 406 11.200 -8.744 3.182 1.00 73.35 C ATOM 169 OD1 ASN A 406 12.121 -9.561 3.232 1.00 25.24 O ATOM 170 ND2 ASN A 406 10.163 -8.789 4.008 1.00 73.23 N ATOM 0 H ASN A 406 12.288 -8.706 -0.131 1.00 32.13 H new ATOM 0 HA ASN A 406 9.541 -8.197 0.970 1.00 51.15 H new ATOM 0 HB2 ASN A 406 12.257 -7.274 2.027 1.00 43.30 H new ATOM 0 HB3 ASN A 406 10.701 -6.731 2.623 1.00 43.30 H new ATOM 0 HD21 ASN A 406 10.108 -9.519 4.718 1.00 73.23 H new ATOM 0 HD22 ASN A 406 9.421 -8.093 3.933 1.00 73.23 H new ATOM 177 N LEU A 407 9.431 -6.249 -0.798 1.00 52.45 N ATOM 178 CA LEU A 407 9.584 -5.345 -1.957 1.00 71.02 C ATOM 179 C LEU A 407 8.948 -4.002 -1.604 1.00 72.44 C ATOM 180 O LEU A 407 7.749 -3.973 -1.410 1.00 12.31 O ATOM 181 CB LEU A 407 8.924 -5.965 -3.258 1.00 53.41 C ATOM 182 CG LEU A 407 9.591 -7.175 -3.949 1.00 11.21 C ATOM 183 CD1 LEU A 407 9.546 -8.481 -3.161 1.00 73.11 C ATOM 184 CD2 LEU A 407 8.941 -7.380 -5.304 1.00 64.03 C ATOM 0 H LEU A 407 8.475 -6.496 -0.543 1.00 52.45 H new ATOM 0 HA LEU A 407 10.642 -5.205 -2.177 1.00 71.02 H new ATOM 0 HB2 LEU A 407 7.906 -6.257 -3.000 1.00 53.41 H new ATOM 0 HB3 LEU A 407 8.849 -5.168 -3.997 1.00 53.41 H new ATOM 0 HG LEU A 407 10.649 -6.928 -4.033 1.00 11.21 H new ATOM 0 HD11 LEU A 407 10.040 -9.267 -3.732 1.00 73.11 H new ATOM 0 HD12 LEU A 407 10.057 -8.348 -2.208 1.00 73.11 H new ATOM 0 HD13 LEU A 407 8.508 -8.761 -2.980 1.00 73.11 H new ATOM 0 HD21 LEU A 407 9.402 -8.232 -5.804 1.00 64.03 H new ATOM 0 HD22 LEU A 407 7.876 -7.570 -5.172 1.00 64.03 H new ATOM 0 HD23 LEU A 407 9.077 -6.485 -5.912 1.00 64.03 H new ATOM 196 N PHE A 408 9.706 -2.878 -1.450 1.00 24.23 N ATOM 197 CA PHE A 408 8.997 -1.634 -1.145 1.00 22.40 C ATOM 198 C PHE A 408 8.839 -0.701 -2.393 1.00 52.34 C ATOM 199 O PHE A 408 9.841 -0.283 -2.974 1.00 10.41 O ATOM 200 CB PHE A 408 9.677 -0.934 0.076 1.00 22.22 C ATOM 201 CG PHE A 408 11.038 -0.274 -0.117 1.00 54.25 C ATOM 202 CD1 PHE A 408 12.210 -1.007 -0.353 1.00 55.52 C ATOM 203 CD2 PHE A 408 11.141 1.108 -0.014 1.00 3.13 C ATOM 204 CE1 PHE A 408 13.429 -0.367 -0.487 1.00 64.51 C ATOM 205 CE2 PHE A 408 12.360 1.739 -0.151 1.00 31.40 C ATOM 206 CZ PHE A 408 13.499 1.007 -0.391 1.00 45.41 C ATOM 0 H PHE A 408 10.721 -2.818 -1.527 1.00 24.23 H new ATOM 0 HA PHE A 408 7.972 -1.877 -0.864 1.00 22.40 H new ATOM 0 HB2 PHE A 408 8.990 -0.172 0.443 1.00 22.22 H new ATOM 0 HB3 PHE A 408 9.780 -1.677 0.866 1.00 22.22 H new ATOM 0 HD1 PHE A 408 12.160 -2.083 -0.431 1.00 55.52 H new ATOM 0 HD2 PHE A 408 10.255 1.696 0.176 1.00 3.13 H new ATOM 0 HE1 PHE A 408 14.325 -0.943 -0.667 1.00 64.51 H new ATOM 0 HE2 PHE A 408 12.420 2.814 -0.069 1.00 31.40 H new ATOM 0 HZ PHE A 408 14.449 1.508 -0.504 1.00 45.41 H new ATOM 216 N ILE A 409 7.577 -0.406 -2.859 1.00 41.54 N ATOM 217 CA ILE A 409 7.399 0.663 -3.901 1.00 74.04 C ATOM 218 C ILE A 409 6.823 1.945 -3.315 1.00 61.01 C ATOM 219 O ILE A 409 5.737 1.971 -2.739 1.00 23.32 O ATOM 220 CB ILE A 409 6.585 0.219 -5.191 1.00 64.10 C ATOM 221 CG1 ILE A 409 6.193 -1.289 -5.190 1.00 34.55 C ATOM 222 CG2 ILE A 409 7.407 0.555 -6.462 1.00 1.42 C ATOM 223 CD1 ILE A 409 4.690 -1.551 -5.144 1.00 42.33 C ATOM 0 H ILE A 409 6.719 -0.863 -2.551 1.00 41.54 H new ATOM 0 HA ILE A 409 8.413 0.858 -4.250 1.00 74.04 H new ATOM 0 HB ILE A 409 5.649 0.777 -5.183 1.00 64.10 H new ATOM 0 HG12 ILE A 409 6.604 -1.759 -6.083 1.00 34.55 H new ATOM 0 HG13 ILE A 409 6.660 -1.772 -4.332 1.00 34.55 H new ATOM 0 HG21 ILE A 409 6.849 0.250 -7.347 1.00 1.42 H new ATOM 0 HG22 ILE A 409 7.593 1.628 -6.502 1.00 1.42 H new ATOM 0 HG23 ILE A 409 8.358 0.023 -6.432 1.00 1.42 H new ATOM 0 HD11 ILE A 409 4.508 -2.626 -5.146 1.00 42.33 H new ATOM 0 HD12 ILE A 409 4.272 -1.114 -4.237 1.00 42.33 H new ATOM 0 HD13 ILE A 409 4.215 -1.101 -6.016 1.00 42.33 H new ATOM 235 N TYR A 410 7.599 3.016 -3.500 1.00 54.13 N ATOM 236 CA TYR A 410 7.287 4.333 -2.955 1.00 72.33 C ATOM 237 C TYR A 410 7.542 5.382 -4.048 1.00 23.43 C ATOM 238 O TYR A 410 8.088 5.004 -5.092 1.00 44.11 O ATOM 239 CB TYR A 410 8.137 4.610 -1.677 1.00 11.01 C ATOM 240 CG TYR A 410 9.594 5.101 -1.856 1.00 42.44 C ATOM 241 CD1 TYR A 410 9.879 6.457 -1.915 1.00 41.03 C ATOM 242 CD2 TYR A 410 10.679 4.230 -1.901 1.00 50.32 C ATOM 243 CE1 TYR A 410 11.163 6.935 -2.038 1.00 12.24 C ATOM 244 CE2 TYR A 410 11.980 4.712 -2.028 1.00 20.53 C ATOM 245 CZ TYR A 410 12.212 6.060 -2.092 1.00 64.12 C ATOM 246 OH TYR A 410 13.500 6.529 -2.229 1.00 5.41 O ATOM 0 H TYR A 410 8.466 2.990 -4.036 1.00 54.13 H new ATOM 0 HA TYR A 410 6.240 4.381 -2.654 1.00 72.33 H new ATOM 0 HB2 TYR A 410 7.607 5.352 -1.080 1.00 11.01 H new ATOM 0 HB3 TYR A 410 8.166 3.691 -1.091 1.00 11.01 H new ATOM 0 HD1 TYR A 410 9.063 7.163 -1.862 1.00 41.03 H new ATOM 0 HD2 TYR A 410 10.510 3.165 -1.837 1.00 50.32 H new ATOM 0 HE1 TYR A 410 11.342 7.999 -2.092 1.00 12.24 H new ATOM 0 HE2 TYR A 410 12.808 4.020 -2.076 1.00 20.53 H new ATOM 0 HH TYR A 410 14.123 5.773 -2.249 1.00 5.41 H new ATOM 256 N HIS A 411 7.131 6.686 -3.836 1.00 63.31 N ATOM 257 CA HIS A 411 7.471 7.782 -4.759 1.00 73.12 C ATOM 258 C HIS A 411 6.759 7.607 -6.121 1.00 55.03 C ATOM 259 O HIS A 411 7.272 8.074 -7.140 1.00 33.44 O ATOM 260 CB HIS A 411 9.019 7.908 -4.942 1.00 42.55 C ATOM 261 CG HIS A 411 9.608 9.262 -4.579 1.00 41.02 C ATOM 262 ND1 HIS A 411 8.837 10.351 -4.203 1.00 55.43 N ATOM 263 CD2 HIS A 411 10.908 9.693 -4.495 1.00 34.32 C ATOM 264 CE1 HIS A 411 9.623 11.374 -3.918 1.00 15.53 C ATOM 265 NE2 HIS A 411 10.874 11.004 -4.083 1.00 61.20 N ATOM 0 H HIS A 411 6.570 6.977 -3.035 1.00 63.31 H new ATOM 0 HA HIS A 411 7.114 8.711 -4.315 1.00 73.12 H new ATOM 0 HB2 HIS A 411 9.504 7.144 -4.333 1.00 42.55 H new ATOM 0 HB3 HIS A 411 9.264 7.690 -5.981 1.00 42.55 H new ATOM 0 HD2 HIS A 411 11.792 9.111 -4.712 1.00 34.32 H new ATOM 0 HE1 HIS A 411 9.293 12.352 -3.602 1.00 15.53 H new ATOM 0 HE2 HIS A 411 11.690 11.596 -3.930 1.00 61.20 H new ATOM 274 N LEU A 412 5.572 6.934 -6.106 1.00 31.35 N ATOM 275 CA LEU A 412 4.714 6.738 -7.300 1.00 54.41 C ATOM 276 C LEU A 412 4.290 8.075 -7.960 1.00 75.54 C ATOM 277 O LEU A 412 3.998 9.062 -7.287 1.00 71.21 O ATOM 278 CB LEU A 412 3.430 5.902 -6.937 1.00 33.50 C ATOM 279 CG LEU A 412 2.572 6.437 -5.755 1.00 2.52 C ATOM 280 CD1 LEU A 412 1.454 7.403 -6.147 1.00 71.33 C ATOM 281 CD2 LEU A 412 1.973 5.339 -4.886 1.00 65.13 C ATOM 0 H LEU A 412 5.188 6.513 -5.260 1.00 31.35 H new ATOM 0 HA LEU A 412 5.319 6.189 -8.022 1.00 54.41 H new ATOM 0 HB2 LEU A 412 2.796 5.846 -7.822 1.00 33.50 H new ATOM 0 HB3 LEU A 412 3.740 4.884 -6.702 1.00 33.50 H new ATOM 0 HG LEU A 412 3.311 6.995 -5.180 1.00 2.52 H new ATOM 0 HD11 LEU A 412 0.915 7.718 -5.253 1.00 71.33 H new ATOM 0 HD12 LEU A 412 1.883 8.276 -6.638 1.00 71.33 H new ATOM 0 HD13 LEU A 412 0.765 6.905 -6.829 1.00 71.33 H new ATOM 0 HD21 LEU A 412 1.388 5.789 -4.083 1.00 65.13 H new ATOM 0 HD22 LEU A 412 1.327 4.705 -5.494 1.00 65.13 H new ATOM 0 HD23 LEU A 412 2.774 4.736 -4.458 1.00 65.13 H new ATOM 293 N PRO A 413 4.346 8.107 -9.305 1.00 35.23 N ATOM 294 CA PRO A 413 3.761 9.157 -10.171 1.00 44.42 C ATOM 295 C PRO A 413 2.217 9.135 -10.189 1.00 45.54 C ATOM 296 O PRO A 413 1.627 8.215 -9.666 1.00 32.13 O ATOM 297 CB PRO A 413 4.342 8.794 -11.539 1.00 51.42 C ATOM 298 CG PRO A 413 4.503 7.339 -11.464 1.00 2.45 C ATOM 299 CD PRO A 413 5.072 7.118 -10.125 1.00 53.45 C ATOM 0 HA PRO A 413 3.998 10.166 -9.833 1.00 44.42 H new ATOM 0 HB2 PRO A 413 3.673 9.083 -12.349 1.00 51.42 H new ATOM 0 HB3 PRO A 413 5.293 9.295 -11.717 1.00 51.42 H new ATOM 0 HG2 PRO A 413 3.550 6.824 -11.584 1.00 2.45 H new ATOM 0 HG3 PRO A 413 5.166 6.969 -12.246 1.00 2.45 H new ATOM 0 HD2 PRO A 413 4.905 6.099 -9.776 1.00 53.45 H new ATOM 0 HD3 PRO A 413 6.149 7.288 -10.108 1.00 53.45 H new ATOM 307 N GLN A 414 1.595 10.186 -10.759 1.00 35.21 N ATOM 308 CA GLN A 414 0.103 10.393 -10.753 1.00 62.31 C ATOM 309 C GLN A 414 -0.723 9.167 -11.281 1.00 40.45 C ATOM 310 O GLN A 414 -1.748 8.829 -10.690 1.00 60.21 O ATOM 311 CB GLN A 414 -0.217 11.656 -11.600 1.00 41.20 C ATOM 312 CG GLN A 414 -1.716 11.952 -11.899 1.00 5.20 C ATOM 313 CD GLN A 414 -1.898 13.215 -12.737 1.00 24.45 C ATOM 314 OE1 GLN A 414 -0.906 13.553 -13.558 1.00 33.02 O flip ATOM 315 NE2 GLN A 414 -2.920 13.888 -12.639 1.00 21.30 N flip ATOM 0 H GLN A 414 2.101 10.928 -11.243 1.00 35.21 H new ATOM 0 HA GLN A 414 -0.200 10.517 -9.713 1.00 62.31 H new ATOM 0 HB2 GLN A 414 0.202 12.522 -11.087 1.00 41.20 H new ATOM 0 HB3 GLN A 414 0.306 11.565 -12.552 1.00 41.20 H new ATOM 0 HG2 GLN A 414 -2.155 11.103 -12.424 1.00 5.20 H new ATOM 0 HG3 GLN A 414 -2.258 12.060 -10.959 1.00 5.20 H new ATOM 0 HE21 GLN A 414 -3.661 13.600 -12.000 1.00 21.30 H new ATOM 0 HE22 GLN A 414 -3.028 14.735 -13.197 1.00 21.30 H new ATOM 324 N GLU A 415 -0.272 8.509 -12.378 1.00 3.43 N ATOM 325 CA GLU A 415 -0.994 7.318 -12.936 1.00 33.15 C ATOM 326 C GLU A 415 -0.625 6.002 -12.191 1.00 55.01 C ATOM 327 O GLU A 415 -1.209 4.951 -12.459 1.00 23.02 O ATOM 328 CB GLU A 415 -0.736 7.180 -14.458 1.00 10.12 C ATOM 329 CG GLU A 415 -1.999 7.042 -15.343 1.00 40.22 C ATOM 330 CD GLU A 415 -1.645 6.921 -16.814 1.00 45.30 C ATOM 331 OE1 GLU A 415 -1.525 7.968 -17.491 1.00 64.32 O ATOM 332 OE2 GLU A 415 -1.492 5.782 -17.299 1.00 14.13 O ATOM 0 H GLU A 415 0.570 8.769 -12.891 1.00 3.43 H new ATOM 0 HA GLU A 415 -2.059 7.487 -12.778 1.00 33.15 H new ATOM 0 HB2 GLU A 415 -0.173 8.051 -14.793 1.00 10.12 H new ATOM 0 HB3 GLU A 415 -0.102 6.309 -14.623 1.00 10.12 H new ATOM 0 HG2 GLU A 415 -2.567 6.165 -15.032 1.00 40.22 H new ATOM 0 HG3 GLU A 415 -2.644 7.908 -15.194 1.00 40.22 H new ATOM 339 N PHE A 416 0.353 6.076 -11.277 1.00 62.14 N ATOM 340 CA PHE A 416 0.577 4.990 -10.269 1.00 13.52 C ATOM 341 C PHE A 416 -0.072 5.389 -8.897 1.00 63.43 C ATOM 342 O PHE A 416 -0.402 6.553 -8.683 1.00 20.31 O ATOM 343 CB PHE A 416 2.073 4.501 -10.158 1.00 54.32 C ATOM 344 CG PHE A 416 2.475 3.276 -10.999 1.00 73.30 C ATOM 345 CD1 PHE A 416 1.866 2.925 -12.216 1.00 14.23 C ATOM 346 CD2 PHE A 416 3.485 2.437 -10.516 1.00 52.12 C ATOM 347 CE1 PHE A 416 2.258 1.776 -12.901 1.00 50.23 C ATOM 348 CE2 PHE A 416 3.867 1.306 -11.203 1.00 12.40 C ATOM 349 CZ PHE A 416 3.253 0.973 -12.382 1.00 61.04 C ATOM 0 H PHE A 416 1.002 6.859 -11.202 1.00 62.14 H new ATOM 0 HA PHE A 416 0.064 4.099 -10.631 1.00 13.52 H new ATOM 0 HB2 PHE A 416 2.722 5.331 -10.438 1.00 54.32 H new ATOM 0 HB3 PHE A 416 2.278 4.275 -9.112 1.00 54.32 H new ATOM 0 HD1 PHE A 416 1.087 3.551 -12.624 1.00 14.23 H new ATOM 0 HD2 PHE A 416 3.975 2.681 -9.585 1.00 52.12 H new ATOM 0 HE1 PHE A 416 1.784 1.515 -13.836 1.00 50.23 H new ATOM 0 HE2 PHE A 416 4.654 0.679 -10.811 1.00 12.40 H new ATOM 0 HZ PHE A 416 3.549 0.077 -12.908 1.00 61.04 H new ATOM 359 N GLY A 417 -0.334 4.405 -8.006 1.00 21.11 N ATOM 360 CA GLY A 417 -1.448 4.495 -7.023 1.00 12.41 C ATOM 361 C GLY A 417 -1.861 3.083 -6.558 1.00 4.25 C ATOM 362 O GLY A 417 -1.151 2.140 -6.893 1.00 4.23 O ATOM 0 H GLY A 417 0.206 3.542 -7.944 1.00 21.11 H new ATOM 0 HA2 GLY A 417 -1.139 5.093 -6.165 1.00 12.41 H new ATOM 0 HA3 GLY A 417 -2.301 5.002 -7.474 1.00 12.41 H new ATOM 366 N ASP A 418 -2.989 2.879 -5.808 1.00 21.20 N ATOM 367 CA ASP A 418 -3.157 1.567 -5.118 1.00 42.42 C ATOM 368 C ASP A 418 -3.787 0.416 -5.926 1.00 53.03 C ATOM 369 O ASP A 418 -3.153 -0.649 -5.994 1.00 51.54 O ATOM 370 CB ASP A 418 -3.785 1.598 -3.700 1.00 41.13 C ATOM 371 CG ASP A 418 -5.029 2.471 -3.568 1.00 13.51 C ATOM 372 OD1 ASP A 418 -6.125 2.017 -3.965 1.00 33.34 O ATOM 373 OD2 ASP A 418 -4.918 3.598 -3.039 1.00 44.31 O ATOM 0 H ASP A 418 -3.742 3.553 -5.673 1.00 21.20 H new ATOM 0 HA ASP A 418 -2.097 1.337 -5.008 1.00 42.42 H new ATOM 0 HB2 ASP A 418 -4.041 0.579 -3.410 1.00 41.13 H new ATOM 0 HB3 ASP A 418 -3.034 1.952 -2.993 1.00 41.13 H new ATOM 378 N GLN A 419 -5.021 0.563 -6.514 1.00 5.23 N ATOM 379 CA GLN A 419 -5.661 -0.566 -7.223 1.00 11.14 C ATOM 380 C GLN A 419 -4.864 -0.878 -8.525 1.00 44.20 C ATOM 381 O GLN A 419 -4.926 -1.996 -9.061 1.00 73.35 O ATOM 382 CB GLN A 419 -7.144 -0.290 -7.568 1.00 1.31 C ATOM 383 CG GLN A 419 -7.944 -1.563 -7.872 1.00 2.11 C ATOM 384 CD GLN A 419 -8.686 -1.486 -9.182 1.00 72.12 C ATOM 385 OE1 GLN A 419 -9.794 -0.969 -9.243 1.00 64.54 O ATOM 386 NE2 GLN A 419 -8.085 -2.020 -10.239 1.00 42.22 N ATOM 0 H GLN A 419 -5.564 1.426 -6.505 1.00 5.23 H new ATOM 0 HA GLN A 419 -5.645 -1.425 -6.552 1.00 11.14 H new ATOM 0 HB2 GLN A 419 -7.612 0.234 -6.735 1.00 1.31 H new ATOM 0 HB3 GLN A 419 -7.191 0.375 -8.430 1.00 1.31 H new ATOM 0 HG2 GLN A 419 -7.266 -2.417 -7.893 1.00 2.11 H new ATOM 0 HG3 GLN A 419 -8.656 -1.741 -7.066 1.00 2.11 H new ATOM 0 HE21 GLN A 419 -7.161 -2.440 -10.142 1.00 42.22 H new ATOM 0 HE22 GLN A 419 -8.548 -2.010 -11.148 1.00 42.22 H new ATOM 395 N ASP A 420 -4.088 0.135 -9.000 1.00 0.41 N ATOM 396 CA ASP A 420 -3.249 0.019 -10.210 1.00 60.20 C ATOM 397 C ASP A 420 -1.811 -0.549 -9.918 1.00 24.43 C ATOM 398 O ASP A 420 -1.079 -0.848 -10.867 1.00 4.52 O ATOM 399 CB ASP A 420 -3.149 1.361 -10.983 1.00 42.21 C ATOM 400 CG ASP A 420 -2.666 2.491 -10.137 1.00 22.24 C ATOM 401 OD1 ASP A 420 -1.453 2.635 -10.037 1.00 74.10 O ATOM 402 OD2 ASP A 420 -3.505 3.227 -9.573 1.00 71.00 O ATOM 0 H ASP A 420 -4.032 1.049 -8.551 1.00 0.41 H new ATOM 0 HA ASP A 420 -3.761 -0.707 -10.842 1.00 60.20 H new ATOM 0 HB2 ASP A 420 -2.475 1.236 -11.830 1.00 42.21 H new ATOM 0 HB3 ASP A 420 -4.128 1.613 -11.390 1.00 42.21 H new ATOM 407 N ILE A 421 -1.392 -0.654 -8.619 1.00 55.12 N ATOM 408 CA ILE A 421 -0.012 -1.125 -8.241 1.00 72.32 C ATOM 409 C ILE A 421 0.172 -2.601 -8.683 1.00 1.32 C ATOM 410 O ILE A 421 1.251 -3.020 -9.124 1.00 64.20 O ATOM 411 CB ILE A 421 0.254 -0.920 -6.668 1.00 14.13 C ATOM 412 CG1 ILE A 421 1.363 0.154 -6.353 1.00 10.41 C ATOM 413 CG2 ILE A 421 0.618 -2.219 -5.907 1.00 31.24 C ATOM 414 CD1 ILE A 421 1.225 0.784 -4.935 1.00 31.24 C ATOM 0 H ILE A 421 -1.982 -0.422 -7.820 1.00 55.12 H new ATOM 0 HA ILE A 421 0.733 -0.523 -8.762 1.00 72.32 H new ATOM 0 HB ILE A 421 -0.712 -0.565 -6.310 1.00 14.13 H new ATOM 0 HG12 ILE A 421 2.345 -0.311 -6.443 1.00 10.41 H new ATOM 0 HG13 ILE A 421 1.315 0.945 -7.101 1.00 10.41 H new ATOM 0 HG21 ILE A 421 0.781 -1.990 -4.854 1.00 31.24 H new ATOM 0 HG22 ILE A 421 -0.197 -2.936 -6.001 1.00 31.24 H new ATOM 0 HG23 ILE A 421 1.527 -2.646 -6.330 1.00 31.24 H new ATOM 0 HD11 ILE A 421 2.019 1.515 -4.783 1.00 31.24 H new ATOM 0 HD12 ILE A 421 0.257 1.277 -4.849 1.00 31.24 H new ATOM 0 HD13 ILE A 421 1.302 0.002 -4.180 1.00 31.24 H new ATOM 426 N LEU A 422 -0.935 -3.340 -8.577 1.00 43.23 N ATOM 427 CA LEU A 422 -1.078 -4.714 -9.008 1.00 21.12 C ATOM 428 C LEU A 422 -1.022 -4.849 -10.567 1.00 14.24 C ATOM 429 O LEU A 422 -0.754 -5.949 -11.047 1.00 35.31 O ATOM 430 CB LEU A 422 -2.408 -5.386 -8.455 1.00 13.22 C ATOM 431 CG LEU A 422 -3.252 -4.707 -7.311 1.00 64.23 C ATOM 432 CD1 LEU A 422 -4.622 -5.390 -7.218 1.00 4.53 C ATOM 433 CD2 LEU A 422 -2.580 -4.808 -5.934 1.00 63.15 C ATOM 0 H LEU A 422 -1.792 -2.969 -8.167 1.00 43.23 H new ATOM 0 HA LEU A 422 -0.227 -5.248 -8.584 1.00 21.12 H new ATOM 0 HB2 LEU A 422 -3.075 -5.518 -9.307 1.00 13.22 H new ATOM 0 HB3 LEU A 422 -2.139 -6.382 -8.103 1.00 13.22 H new ATOM 0 HG LEU A 422 -3.342 -3.652 -7.570 1.00 64.23 H new ATOM 0 HD11 LEU A 422 -5.209 -4.923 -6.427 1.00 4.53 H new ATOM 0 HD12 LEU A 422 -5.146 -5.286 -8.168 1.00 4.53 H new ATOM 0 HD13 LEU A 422 -4.487 -6.448 -6.992 1.00 4.53 H new ATOM 0 HD21 LEU A 422 -3.208 -4.323 -5.186 1.00 63.15 H new ATOM 0 HD22 LEU A 422 -2.447 -5.857 -5.670 1.00 63.15 H new ATOM 0 HD23 LEU A 422 -1.608 -4.316 -5.966 1.00 63.15 H new ATOM 445 N GLN A 423 -1.216 -3.747 -11.376 1.00 10.23 N ATOM 446 CA GLN A 423 -1.577 -3.907 -12.783 1.00 54.33 C ATOM 447 C GLN A 423 -0.317 -4.050 -13.656 1.00 21.14 C ATOM 448 O GLN A 423 -0.323 -4.798 -14.637 1.00 33.24 O ATOM 449 CB GLN A 423 -2.488 -2.759 -13.276 1.00 61.42 C ATOM 450 CG GLN A 423 -3.949 -2.836 -12.757 1.00 62.13 C ATOM 451 CD GLN A 423 -4.830 -1.749 -13.344 1.00 64.21 C ATOM 452 OE1 GLN A 423 -4.371 -0.647 -13.635 1.00 41.34 O ATOM 453 NE2 GLN A 423 -6.102 -2.051 -13.543 1.00 12.30 N ATOM 0 H GLN A 423 -1.125 -2.780 -11.064 1.00 10.23 H new ATOM 0 HA GLN A 423 -2.154 -4.827 -12.876 1.00 54.33 H new ATOM 0 HB2 GLN A 423 -2.054 -1.808 -12.966 1.00 61.42 H new ATOM 0 HB3 GLN A 423 -2.501 -2.764 -14.366 1.00 61.42 H new ATOM 0 HG2 GLN A 423 -4.368 -3.812 -13.003 1.00 62.13 H new ATOM 0 HG3 GLN A 423 -3.950 -2.753 -11.670 1.00 62.13 H new ATOM 0 HE21 GLN A 423 -6.452 -2.975 -13.291 1.00 12.30 H new ATOM 0 HE22 GLN A 423 -6.733 -1.360 -13.949 1.00 12.30 H new ATOM 462 N MET A 424 0.773 -3.343 -13.293 1.00 44.22 N ATOM 463 CA MET A 424 2.061 -3.495 -13.993 1.00 44.12 C ATOM 464 C MET A 424 2.901 -4.700 -13.480 1.00 73.01 C ATOM 465 O MET A 424 3.534 -5.365 -14.296 1.00 35.21 O ATOM 466 CB MET A 424 2.896 -2.195 -13.889 1.00 10.41 C ATOM 467 CG MET A 424 3.547 -1.699 -15.196 1.00 4.40 C ATOM 468 SD MET A 424 4.708 -2.883 -15.905 1.00 2.42 S ATOM 469 CE MET A 424 5.503 -1.902 -17.176 1.00 51.13 C ATOM 0 H MET A 424 0.786 -2.669 -12.528 1.00 44.22 H new ATOM 0 HA MET A 424 1.816 -3.696 -15.036 1.00 44.12 H new ATOM 0 HB2 MET A 424 2.252 -1.404 -13.505 1.00 10.41 H new ATOM 0 HB3 MET A 424 3.683 -2.351 -13.152 1.00 10.41 H new ATOM 0 HG2 MET A 424 2.766 -1.485 -15.925 1.00 4.40 H new ATOM 0 HG3 MET A 424 4.067 -0.761 -15.002 1.00 4.40 H new ATOM 0 HE1 MET A 424 6.245 -2.510 -17.694 1.00 51.13 H new ATOM 0 HE2 MET A 424 4.755 -1.556 -17.889 1.00 51.13 H new ATOM 0 HE3 MET A 424 5.993 -1.043 -16.719 1.00 51.13 H new ATOM 479 N PHE A 425 2.875 -5.039 -12.166 1.00 74.15 N ATOM 480 CA PHE A 425 3.865 -5.977 -11.598 1.00 61.00 C ATOM 481 C PHE A 425 3.500 -7.477 -11.788 1.00 53.11 C ATOM 482 O PHE A 425 4.239 -8.352 -11.343 1.00 43.11 O ATOM 483 CB PHE A 425 4.211 -5.636 -10.127 1.00 25.11 C ATOM 484 CG PHE A 425 5.582 -5.061 -9.953 1.00 54.30 C ATOM 485 CD1 PHE A 425 5.805 -3.732 -10.262 1.00 52.23 C ATOM 486 CD2 PHE A 425 6.653 -5.832 -9.510 1.00 34.44 C ATOM 487 CE1 PHE A 425 7.051 -3.182 -10.143 1.00 71.31 C ATOM 488 CE2 PHE A 425 7.907 -5.290 -9.394 1.00 21.12 C ATOM 489 CZ PHE A 425 8.115 -3.957 -9.715 1.00 62.00 C ATOM 0 H PHE A 425 2.193 -4.683 -11.496 1.00 74.15 H new ATOM 0 HA PHE A 425 4.771 -5.832 -12.187 1.00 61.00 H new ATOM 0 HB2 PHE A 425 3.477 -4.927 -9.745 1.00 25.11 H new ATOM 0 HB3 PHE A 425 4.125 -6.540 -9.523 1.00 25.11 H new ATOM 0 HD1 PHE A 425 4.983 -3.120 -10.602 1.00 52.23 H new ATOM 0 HD2 PHE A 425 6.494 -6.869 -9.255 1.00 34.44 H new ATOM 0 HE1 PHE A 425 7.205 -2.141 -10.383 1.00 71.31 H new ATOM 0 HE2 PHE A 425 8.731 -5.900 -9.053 1.00 21.12 H new ATOM 0 HZ PHE A 425 9.102 -3.526 -9.631 1.00 62.00 H new ATOM 499 N MET A 426 2.363 -7.753 -12.467 1.00 44.34 N ATOM 500 CA MET A 426 1.714 -9.070 -12.493 1.00 2.24 C ATOM 501 C MET A 426 2.365 -10.078 -13.459 1.00 5.10 C ATOM 502 O MET A 426 2.423 -11.260 -13.125 1.00 32.22 O ATOM 503 CB MET A 426 0.224 -8.940 -12.814 1.00 35.14 C ATOM 504 CG MET A 426 -0.681 -9.142 -11.615 1.00 34.33 C ATOM 505 SD MET A 426 -0.514 -10.753 -10.838 1.00 24.44 S ATOM 506 CE MET A 426 -1.931 -10.644 -9.769 1.00 74.12 C ATOM 0 H MET A 426 1.869 -7.052 -13.018 1.00 44.34 H new ATOM 0 HA MET A 426 1.848 -9.472 -11.489 1.00 2.24 H new ATOM 0 HB2 MET A 426 0.038 -7.952 -13.235 1.00 35.14 H new ATOM 0 HB3 MET A 426 -0.038 -9.669 -13.581 1.00 35.14 H new ATOM 0 HG2 MET A 426 -0.467 -8.370 -10.876 1.00 34.33 H new ATOM 0 HG3 MET A 426 -1.716 -9.006 -11.927 1.00 34.33 H new ATOM 0 HE1 MET A 426 -1.737 -11.197 -8.850 1.00 74.12 H new ATOM 0 HE2 MET A 426 -2.126 -9.599 -9.529 1.00 74.12 H new ATOM 0 HE3 MET A 426 -2.800 -11.069 -10.272 1.00 74.12 H new ATOM 516 N PRO A 427 2.827 -9.688 -14.702 1.00 32.44 N ATOM 517 CA PRO A 427 3.582 -10.628 -15.533 1.00 14.10 C ATOM 518 C PRO A 427 5.018 -10.872 -15.017 1.00 11.34 C ATOM 519 O PRO A 427 5.764 -11.644 -15.612 1.00 60.21 O ATOM 520 CB PRO A 427 3.575 -10.004 -16.936 1.00 4.42 C ATOM 521 CG PRO A 427 3.223 -8.561 -16.773 1.00 30.34 C ATOM 522 CD PRO A 427 2.615 -8.388 -15.405 1.00 23.42 C ATOM 0 HA PRO A 427 3.127 -11.618 -15.519 1.00 14.10 H new ATOM 0 HB2 PRO A 427 4.551 -10.111 -17.410 1.00 4.42 H new ATOM 0 HB3 PRO A 427 2.852 -10.507 -17.578 1.00 4.42 H new ATOM 0 HG2 PRO A 427 4.110 -7.937 -16.879 1.00 30.34 H new ATOM 0 HG3 PRO A 427 2.520 -8.249 -17.546 1.00 30.34 H new ATOM 0 HD2 PRO A 427 3.091 -7.569 -14.866 1.00 23.42 H new ATOM 0 HD3 PRO A 427 1.554 -8.149 -15.475 1.00 23.42 H new ATOM 530 N PHE A 428 5.381 -10.227 -13.899 1.00 40.22 N ATOM 531 CA PHE A 428 6.639 -10.503 -13.220 1.00 61.54 C ATOM 532 C PHE A 428 6.425 -11.416 -11.962 1.00 31.25 C ATOM 533 O PHE A 428 7.401 -11.723 -11.297 1.00 65.34 O ATOM 534 CB PHE A 428 7.435 -9.166 -12.865 1.00 24.32 C ATOM 535 CG PHE A 428 8.035 -8.386 -14.048 1.00 61.53 C ATOM 536 CD1 PHE A 428 8.774 -9.033 -15.034 1.00 15.42 C ATOM 537 CD2 PHE A 428 7.904 -6.985 -14.147 1.00 52.22 C ATOM 538 CE1 PHE A 428 9.346 -8.324 -16.081 1.00 52.32 C ATOM 539 CE2 PHE A 428 8.483 -6.283 -15.206 1.00 30.12 C ATOM 540 CZ PHE A 428 9.202 -6.955 -16.162 1.00 54.44 C ATOM 0 H PHE A 428 4.813 -9.509 -13.450 1.00 40.22 H new ATOM 0 HA PHE A 428 7.266 -11.059 -13.917 1.00 61.54 H new ATOM 0 HB2 PHE A 428 6.760 -8.501 -12.326 1.00 24.32 H new ATOM 0 HB3 PHE A 428 8.244 -9.423 -12.181 1.00 24.32 H new ATOM 0 HD1 PHE A 428 8.904 -10.104 -14.984 1.00 15.42 H new ATOM 0 HD2 PHE A 428 7.348 -6.448 -13.393 1.00 52.22 H new ATOM 0 HE1 PHE A 428 9.909 -8.849 -16.839 1.00 52.32 H new ATOM 0 HE2 PHE A 428 8.365 -5.212 -15.273 1.00 30.12 H new ATOM 0 HZ PHE A 428 9.655 -6.412 -16.978 1.00 54.44 H new ATOM 550 N GLY A 429 5.186 -11.958 -11.686 1.00 4.10 N ATOM 551 CA GLY A 429 4.990 -12.678 -10.403 1.00 25.41 C ATOM 552 C GLY A 429 3.560 -12.469 -9.733 1.00 14.30 C ATOM 553 O GLY A 429 2.790 -11.633 -10.212 1.00 62.30 O ATOM 0 H GLY A 429 4.370 -11.909 -12.296 1.00 4.10 H new ATOM 0 HA2 GLY A 429 5.144 -13.744 -10.573 1.00 25.41 H new ATOM 0 HA3 GLY A 429 5.757 -12.353 -9.699 1.00 25.41 H new ATOM 557 N ASN A 430 3.215 -13.243 -8.632 1.00 60.24 N ATOM 558 CA ASN A 430 1.841 -13.256 -7.953 1.00 53.51 C ATOM 559 C ASN A 430 1.646 -12.086 -6.907 1.00 15.54 C ATOM 560 O ASN A 430 2.616 -11.673 -6.267 1.00 32.32 O ATOM 561 CB ASN A 430 1.712 -14.662 -7.242 1.00 23.14 C ATOM 562 CG ASN A 430 0.360 -15.052 -6.614 1.00 3.04 C ATOM 563 OD1 ASN A 430 -0.056 -14.506 -5.594 1.00 52.14 O ATOM 564 ND2 ASN A 430 -0.275 -16.106 -7.161 1.00 14.35 N ATOM 0 H ASN A 430 3.879 -13.877 -8.187 1.00 60.24 H new ATOM 0 HA ASN A 430 1.065 -13.098 -8.702 1.00 53.51 H new ATOM 0 HB2 ASN A 430 1.970 -15.427 -7.974 1.00 23.14 H new ATOM 0 HB3 ASN A 430 2.466 -14.706 -6.456 1.00 23.14 H new ATOM 0 HD21 ASN A 430 -1.124 -16.471 -6.728 1.00 14.35 H new ATOM 0 HD22 ASN A 430 0.093 -16.540 -8.008 1.00 14.35 H new ATOM 571 N VAL A 431 0.389 -11.526 -6.747 1.00 54.14 N ATOM 572 CA VAL A 431 0.102 -10.520 -5.666 1.00 3.11 C ATOM 573 C VAL A 431 -0.600 -11.213 -4.449 1.00 20.41 C ATOM 574 O VAL A 431 -1.460 -12.074 -4.663 1.00 14.44 O ATOM 575 CB VAL A 431 -0.760 -9.263 -6.137 1.00 15.12 C ATOM 576 CG1 VAL A 431 -0.273 -8.673 -7.446 1.00 50.00 C ATOM 577 CG2 VAL A 431 -2.292 -9.460 -6.218 1.00 55.33 C ATOM 0 H VAL A 431 -0.413 -11.750 -7.336 1.00 54.14 H new ATOM 0 HA VAL A 431 1.076 -10.125 -5.377 1.00 3.11 H new ATOM 0 HB VAL A 431 -0.589 -8.567 -5.316 1.00 15.12 H new ATOM 0 HG11 VAL A 431 -0.897 -7.821 -7.716 1.00 50.00 H new ATOM 0 HG12 VAL A 431 0.760 -8.345 -7.335 1.00 50.00 H new ATOM 0 HG13 VAL A 431 -0.331 -9.428 -8.230 1.00 50.00 H new ATOM 0 HG21 VAL A 431 -2.761 -8.534 -6.550 1.00 55.33 H new ATOM 0 HG22 VAL A 431 -2.519 -10.256 -6.927 1.00 55.33 H new ATOM 0 HG23 VAL A 431 -2.677 -9.729 -5.234 1.00 55.33 H new ATOM 587 N ILE A 432 -0.208 -10.927 -3.168 1.00 11.14 N ATOM 588 CA ILE A 432 -1.056 -11.449 -2.018 1.00 22.31 C ATOM 589 C ILE A 432 -1.672 -10.301 -1.189 1.00 61.02 C ATOM 590 O ILE A 432 -2.844 -10.400 -0.831 1.00 63.32 O ATOM 591 CB ILE A 432 -0.493 -12.638 -1.061 1.00 34.23 C ATOM 592 CG1 ILE A 432 0.857 -13.265 -1.509 1.00 31.12 C ATOM 593 CG2 ILE A 432 -1.499 -13.798 -1.033 1.00 3.50 C ATOM 594 CD1 ILE A 432 1.336 -14.548 -0.724 1.00 23.43 C ATOM 0 H ILE A 432 0.616 -10.386 -2.906 1.00 11.14 H new ATOM 0 HA ILE A 432 -1.821 -11.988 -2.577 1.00 22.31 H new ATOM 0 HB ILE A 432 -0.344 -12.156 -0.095 1.00 34.23 H new ATOM 0 HG12 ILE A 432 0.779 -13.521 -2.566 1.00 31.12 H new ATOM 0 HG13 ILE A 432 1.632 -12.503 -1.422 1.00 31.12 H new ATOM 0 HG21 ILE A 432 -1.120 -14.593 -0.391 1.00 3.50 H new ATOM 0 HG22 ILE A 432 -2.453 -13.443 -0.645 1.00 3.50 H new ATOM 0 HG23 ILE A 432 -1.639 -14.183 -2.043 1.00 3.50 H new ATOM 0 HD11 ILE A 432 2.288 -14.889 -1.130 1.00 23.43 H new ATOM 0 HD12 ILE A 432 1.458 -14.304 0.331 1.00 23.43 H new ATOM 0 HD13 ILE A 432 0.593 -15.338 -0.830 1.00 23.43 H new ATOM 606 N SER A 433 -0.922 -9.206 -0.885 1.00 34.04 N ATOM 607 CA SER A 433 -1.557 -8.038 -0.173 1.00 10.23 C ATOM 608 C SER A 433 -0.944 -6.633 -0.598 1.00 55.54 C ATOM 609 O SER A 433 0.277 -6.581 -0.793 1.00 4.13 O ATOM 610 CB SER A 433 -1.427 -8.217 1.371 1.00 14.42 C ATOM 611 OG SER A 433 -2.602 -8.798 1.913 1.00 71.21 O ATOM 0 H SER A 433 0.069 -9.098 -1.103 1.00 34.04 H new ATOM 0 HA SER A 433 -2.606 -8.031 -0.468 1.00 10.23 H new ATOM 0 HB2 SER A 433 -0.567 -8.847 1.597 1.00 14.42 H new ATOM 0 HB3 SER A 433 -1.245 -7.250 1.839 1.00 14.42 H new ATOM 0 HG SER A 433 -2.964 -9.454 1.281 1.00 71.21 H new ATOM 617 N ALA A 434 -1.773 -5.500 -0.772 1.00 54.21 N ATOM 618 CA ALA A 434 -1.185 -4.090 -0.804 1.00 64.22 C ATOM 619 C ALA A 434 -2.127 -2.957 -0.477 1.00 43.14 C ATOM 620 O ALA A 434 -3.341 -3.016 -0.670 1.00 33.44 O ATOM 621 CB ALA A 434 -0.529 -3.681 -2.118 1.00 72.21 C ATOM 0 H ALA A 434 -2.786 -5.542 -0.884 1.00 54.21 H new ATOM 0 HA ALA A 434 -0.449 -4.212 -0.010 1.00 64.22 H new ATOM 0 HB1 ALA A 434 -0.146 -2.664 -2.032 1.00 72.21 H new ATOM 0 HB2 ALA A 434 0.293 -4.361 -2.342 1.00 72.21 H new ATOM 0 HB3 ALA A 434 -1.265 -3.725 -2.921 1.00 72.21 H new ATOM 627 N LYS A 435 -1.458 -1.904 0.028 1.00 61.24 N ATOM 628 CA LYS A 435 -2.055 -0.641 0.437 1.00 72.53 C ATOM 629 C LYS A 435 -1.001 0.471 0.371 1.00 24.22 C ATOM 630 O LYS A 435 0.182 0.207 0.597 1.00 62.15 O ATOM 631 CB LYS A 435 -2.590 -0.732 1.878 1.00 21.20 C ATOM 632 CG LYS A 435 -1.913 -1.788 2.765 1.00 13.01 C ATOM 633 CD LYS A 435 -2.720 -2.060 4.028 1.00 35.13 C ATOM 634 CE LYS A 435 -2.800 -0.834 4.940 1.00 50.52 C ATOM 635 NZ LYS A 435 -1.511 -0.587 5.642 1.00 31.24 N ATOM 0 H LYS A 435 -0.447 -1.921 0.163 1.00 61.24 H new ATOM 0 HA LYS A 435 -2.882 -0.419 -0.238 1.00 72.53 H new ATOM 0 HB2 LYS A 435 -2.477 0.243 2.352 1.00 21.20 H new ATOM 0 HB3 LYS A 435 -3.658 -0.945 1.839 1.00 21.20 H new ATOM 0 HG2 LYS A 435 -1.793 -2.714 2.203 1.00 13.01 H new ATOM 0 HG3 LYS A 435 -0.913 -1.449 3.037 1.00 13.01 H new ATOM 0 HD2 LYS A 435 -3.727 -2.372 3.753 1.00 35.13 H new ATOM 0 HD3 LYS A 435 -2.268 -2.888 4.574 1.00 35.13 H new ATOM 0 HE2 LYS A 435 -3.067 0.042 4.349 1.00 50.52 H new ATOM 0 HE3 LYS A 435 -3.593 -0.977 5.674 1.00 50.52 H new ATOM 0 HZ1 LYS A 435 -1.586 0.280 6.212 1.00 31.24 H new ATOM 0 HZ2 LYS A 435 -1.295 -1.392 6.264 1.00 31.24 H new ATOM 0 HZ3 LYS A 435 -0.750 -0.476 4.942 1.00 31.24 H new ATOM 649 N VAL A 436 -1.412 1.702 0.069 1.00 20.00 N ATOM 650 CA VAL A 436 -0.533 2.851 0.308 1.00 31.05 C ATOM 651 C VAL A 436 -1.110 3.561 1.491 1.00 45.35 C ATOM 652 O VAL A 436 -2.328 3.804 1.501 1.00 40.24 O ATOM 653 CB VAL A 436 -0.424 3.918 -0.865 1.00 74.23 C ATOM 654 CG1 VAL A 436 1.007 4.109 -1.361 1.00 33.32 C ATOM 655 CG2 VAL A 436 -1.351 3.657 -2.049 1.00 43.43 C ATOM 0 H VAL A 436 -2.322 1.929 -0.331 1.00 20.00 H new ATOM 0 HA VAL A 436 0.474 2.453 0.429 1.00 31.05 H new ATOM 0 HB VAL A 436 -0.761 4.843 -0.397 1.00 74.23 H new ATOM 0 HG11 VAL A 436 1.019 4.849 -2.161 1.00 33.32 H new ATOM 0 HG12 VAL A 436 1.634 4.454 -0.539 1.00 33.32 H new ATOM 0 HG13 VAL A 436 1.391 3.161 -1.737 1.00 33.32 H new ATOM 0 HG21 VAL A 436 -1.209 4.434 -2.800 1.00 43.43 H new ATOM 0 HG22 VAL A 436 -1.120 2.685 -2.484 1.00 43.43 H new ATOM 0 HG23 VAL A 436 -2.387 3.666 -1.709 1.00 43.43 H new ATOM 665 N PHE A 437 -0.312 3.843 2.534 1.00 3.33 N ATOM 666 CA PHE A 437 -0.748 4.854 3.440 1.00 1.13 C ATOM 667 C PHE A 437 -0.612 6.204 2.719 1.00 2.42 C ATOM 668 O PHE A 437 0.490 6.669 2.383 1.00 14.41 O ATOM 669 CB PHE A 437 -0.010 4.853 4.814 1.00 62.24 C ATOM 670 CG PHE A 437 1.466 5.150 4.778 1.00 14.03 C ATOM 671 CD1 PHE A 437 2.381 4.143 4.514 1.00 55.12 C ATOM 672 CD2 PHE A 437 1.933 6.432 5.004 1.00 12.34 C ATOM 673 CE1 PHE A 437 3.728 4.421 4.472 1.00 45.13 C ATOM 674 CE2 PHE A 437 3.269 6.705 4.960 1.00 74.32 C ATOM 675 CZ PHE A 437 4.172 5.707 4.694 1.00 40.52 C ATOM 0 H PHE A 437 0.583 3.401 2.743 1.00 3.33 H new ATOM 0 HA PHE A 437 -1.785 4.652 3.707 1.00 1.13 H new ATOM 0 HB2 PHE A 437 -0.491 5.586 5.461 1.00 62.24 H new ATOM 0 HB3 PHE A 437 -0.152 3.877 5.278 1.00 62.24 H new ATOM 0 HD1 PHE A 437 2.035 3.135 4.340 1.00 55.12 H new ATOM 0 HD2 PHE A 437 1.232 7.226 5.218 1.00 12.34 H new ATOM 0 HE1 PHE A 437 4.437 3.633 4.265 1.00 45.13 H new ATOM 0 HE2 PHE A 437 3.618 7.712 5.135 1.00 74.32 H new ATOM 0 HZ PHE A 437 5.228 5.928 4.659 1.00 40.52 H new ATOM 846 N PHE A 448 6.617 6.163 1.253 1.00 53.20 N ATOM 847 CA PHE A 448 7.096 4.838 1.694 1.00 44.24 C ATOM 848 C PHE A 448 6.004 3.748 1.424 1.00 42.43 C ATOM 849 O PHE A 448 4.832 3.959 1.713 1.00 61.12 O ATOM 850 CB PHE A 448 7.553 4.899 3.186 1.00 75.34 C ATOM 851 CG PHE A 448 8.671 3.929 3.529 1.00 24.55 C ATOM 852 CD1 PHE A 448 8.433 2.571 3.780 1.00 52.42 C ATOM 853 CD2 PHE A 448 9.990 4.381 3.557 1.00 33.44 C ATOM 854 CE1 PHE A 448 9.480 1.712 4.059 1.00 25.44 C ATOM 855 CE2 PHE A 448 11.029 3.518 3.830 1.00 35.41 C ATOM 856 CZ PHE A 448 10.777 2.186 4.073 1.00 21.41 C ATOM 0 HA PHE A 448 7.971 4.549 1.112 1.00 44.24 H new ATOM 0 HB2 PHE A 448 7.883 5.913 3.413 1.00 75.34 H new ATOM 0 HB3 PHE A 448 6.696 4.691 3.827 1.00 75.34 H new ATOM 0 HD1 PHE A 448 7.422 2.192 3.755 1.00 52.42 H new ATOM 0 HD2 PHE A 448 10.200 5.422 3.362 1.00 33.44 H new ATOM 0 HE1 PHE A 448 9.283 0.670 4.266 1.00 25.44 H new ATOM 0 HE2 PHE A 448 12.044 3.887 3.853 1.00 35.41 H new ATOM 0 HZ PHE A 448 11.595 1.511 4.275 1.00 21.41 H new ATOM 866 N GLY A 449 6.385 2.633 0.762 1.00 24.03 N ATOM 867 CA GLY A 449 5.407 1.520 0.469 1.00 32.24 C ATOM 868 C GLY A 449 5.877 0.110 0.874 1.00 31.34 C ATOM 869 O GLY A 449 6.987 -0.033 1.370 1.00 64.11 O ATOM 0 H GLY A 449 7.332 2.466 0.422 1.00 24.03 H new ATOM 0 HA2 GLY A 449 4.471 1.735 0.984 1.00 32.24 H new ATOM 0 HA3 GLY A 449 5.190 1.520 -0.599 1.00 32.24 H new ATOM 873 N PHE A 450 4.983 -0.925 0.740 1.00 54.32 N ATOM 874 CA PHE A 450 5.394 -2.362 0.952 1.00 63.04 C ATOM 875 C PHE A 450 4.517 -3.375 0.071 1.00 52.21 C ATOM 876 O PHE A 450 3.349 -3.054 -0.182 1.00 64.42 O ATOM 877 CB PHE A 450 5.359 -2.648 2.505 1.00 2.35 C ATOM 878 CG PHE A 450 4.390 -3.700 2.979 1.00 52.32 C ATOM 879 CD1 PHE A 450 4.697 -5.039 2.854 1.00 13.13 C ATOM 880 CD2 PHE A 450 3.159 -3.338 3.519 1.00 13.05 C ATOM 881 CE1 PHE A 450 3.819 -5.993 3.245 1.00 73.11 C ATOM 882 CE2 PHE A 450 2.259 -4.306 3.914 1.00 61.11 C ATOM 883 CZ PHE A 450 2.590 -5.639 3.772 1.00 22.14 C ATOM 0 H PHE A 450 4.001 -0.800 0.494 1.00 54.32 H new ATOM 0 HA PHE A 450 6.411 -2.530 0.597 1.00 63.04 H new ATOM 0 HB2 PHE A 450 6.360 -2.942 2.819 1.00 2.35 H new ATOM 0 HB3 PHE A 450 5.125 -1.715 3.017 1.00 2.35 H new ATOM 0 HD1 PHE A 450 5.650 -5.330 2.439 1.00 13.13 H new ATOM 0 HD2 PHE A 450 2.907 -2.294 3.629 1.00 13.05 H new ATOM 0 HE1 PHE A 450 4.080 -7.036 3.145 1.00 73.11 H new ATOM 0 HE2 PHE A 450 1.304 -4.024 4.331 1.00 61.11 H new ATOM 0 HZ PHE A 450 1.890 -6.405 4.072 1.00 22.14 H new ATOM 893 N VAL A 451 5.055 -4.600 -0.391 1.00 75.31 N ATOM 894 CA VAL A 451 4.191 -5.606 -1.181 1.00 51.34 C ATOM 895 C VAL A 451 4.731 -7.117 -1.120 1.00 60.04 C ATOM 896 O VAL A 451 5.941 -7.317 -0.945 1.00 71.24 O ATOM 897 CB VAL A 451 3.927 -5.050 -2.679 1.00 4.44 C ATOM 898 CG1 VAL A 451 5.207 -4.608 -3.361 1.00 14.03 C ATOM 899 CG2 VAL A 451 3.241 -6.008 -3.680 1.00 23.12 C ATOM 0 H VAL A 451 6.020 -4.895 -0.240 1.00 75.31 H new ATOM 0 HA VAL A 451 3.223 -5.677 -0.685 1.00 51.34 H new ATOM 0 HB VAL A 451 3.239 -4.231 -2.469 1.00 4.44 H new ATOM 0 HG11 VAL A 451 4.978 -4.243 -4.362 1.00 14.03 H new ATOM 0 HG12 VAL A 451 5.671 -3.810 -2.781 1.00 14.03 H new ATOM 0 HG13 VAL A 451 5.893 -5.452 -3.430 1.00 14.03 H new ATOM 0 HG21 VAL A 451 3.126 -5.508 -4.642 1.00 23.12 H new ATOM 0 HG22 VAL A 451 3.853 -6.901 -3.806 1.00 23.12 H new ATOM 0 HG23 VAL A 451 2.260 -6.291 -3.299 1.00 23.12 H new ATOM 909 N SER A 452 3.817 -8.188 -1.251 1.00 24.14 N ATOM 910 CA SER A 452 4.123 -9.609 -0.979 1.00 0.22 C ATOM 911 C SER A 452 4.348 -10.407 -2.317 1.00 61.15 C ATOM 912 O SER A 452 3.424 -10.469 -3.138 1.00 1.32 O ATOM 913 CB SER A 452 2.890 -10.198 -0.192 1.00 74.30 C ATOM 914 OG SER A 452 3.222 -11.428 0.426 1.00 63.03 O ATOM 0 H SER A 452 2.853 -8.044 -1.552 1.00 24.14 H new ATOM 0 HA SER A 452 5.041 -9.696 -0.398 1.00 0.22 H new ATOM 0 HB2 SER A 452 2.562 -9.484 0.564 1.00 74.30 H new ATOM 0 HB3 SER A 452 2.054 -10.345 -0.876 1.00 74.30 H new ATOM 0 HG SER A 452 3.415 -11.276 1.375 1.00 63.03 H new ATOM 920 N TYR A 453 5.562 -11.020 -2.551 1.00 44.35 N ATOM 921 CA TYR A 453 5.856 -11.704 -3.833 1.00 34.31 C ATOM 922 C TYR A 453 6.124 -13.232 -3.562 1.00 11.30 C ATOM 923 O TYR A 453 6.765 -13.472 -2.540 1.00 45.42 O ATOM 924 CB TYR A 453 7.089 -10.872 -4.356 1.00 24.34 C ATOM 925 CG TYR A 453 7.360 -10.695 -5.850 1.00 25.52 C ATOM 926 CD1 TYR A 453 6.510 -9.938 -6.655 1.00 23.13 C ATOM 927 CD2 TYR A 453 8.543 -11.135 -6.417 1.00 51.22 C ATOM 928 CE1 TYR A 453 6.814 -9.658 -7.965 1.00 23.35 C ATOM 929 CE2 TYR A 453 8.864 -10.819 -7.724 1.00 64.25 C ATOM 930 CZ TYR A 453 7.990 -10.084 -8.477 1.00 14.22 C ATOM 931 OH TYR A 453 8.333 -9.708 -9.728 1.00 35.31 O ATOM 0 H TYR A 453 6.326 -11.046 -1.875 1.00 44.35 H new ATOM 0 HA TYR A 453 5.060 -11.724 -4.577 1.00 34.31 H new ATOM 0 HB2 TYR A 453 7.000 -9.873 -3.930 1.00 24.34 H new ATOM 0 HB3 TYR A 453 7.982 -11.324 -3.924 1.00 24.34 H new ATOM 0 HD1 TYR A 453 5.588 -9.562 -6.237 1.00 23.13 H new ATOM 0 HD2 TYR A 453 9.225 -11.733 -5.831 1.00 51.22 H new ATOM 0 HE1 TYR A 453 6.120 -9.103 -8.579 1.00 23.35 H new ATOM 0 HE2 TYR A 453 9.800 -11.151 -8.148 1.00 64.25 H new ATOM 0 HH TYR A 453 8.089 -10.416 -10.361 1.00 35.31 H new ATOM 941 N ASP A 454 5.569 -14.266 -4.402 1.00 12.20 N ATOM 942 CA ASP A 454 5.787 -15.758 -4.165 1.00 32.14 C ATOM 943 C ASP A 454 7.083 -16.165 -3.423 1.00 35.05 C ATOM 944 O ASP A 454 7.063 -16.401 -2.211 1.00 13.51 O ATOM 945 CB ASP A 454 5.759 -16.581 -5.481 1.00 60.23 C ATOM 946 CG ASP A 454 4.382 -16.849 -6.043 1.00 75.32 C ATOM 947 OD1 ASP A 454 3.483 -17.243 -5.269 1.00 21.41 O ATOM 948 OD2 ASP A 454 4.219 -16.694 -7.272 1.00 13.03 O ATOM 0 H ASP A 454 4.989 -14.065 -5.217 1.00 12.20 H new ATOM 0 HA ASP A 454 4.944 -15.988 -3.513 1.00 32.14 H new ATOM 0 HB2 ASP A 454 6.345 -16.053 -6.234 1.00 60.23 H new ATOM 0 HB3 ASP A 454 6.254 -17.536 -5.304 1.00 60.23 H new ATOM 953 N ASN A 455 8.198 -16.257 -4.165 1.00 15.14 N ATOM 954 CA ASN A 455 9.452 -16.800 -3.642 1.00 14.14 C ATOM 955 C ASN A 455 10.645 -16.205 -4.401 1.00 23.33 C ATOM 956 O ASN A 455 10.519 -15.987 -5.606 1.00 10.12 O ATOM 957 CB ASN A 455 9.404 -18.340 -3.781 1.00 54.11 C ATOM 958 CG ASN A 455 9.659 -19.148 -2.496 1.00 43.32 C ATOM 959 OD1 ASN A 455 10.404 -18.733 -1.611 1.00 51.22 O ATOM 960 ND2 ASN A 455 9.033 -20.343 -2.403 1.00 21.32 N ATOM 0 H ASN A 455 8.251 -15.958 -5.139 1.00 15.14 H new ATOM 0 HA ASN A 455 9.575 -16.536 -2.592 1.00 14.14 H new ATOM 0 HB2 ASN A 455 8.425 -18.618 -4.172 1.00 54.11 H new ATOM 0 HB3 ASN A 455 10.141 -18.640 -4.526 1.00 54.11 H new ATOM 0 HD21 ASN A 455 9.173 -20.929 -1.580 1.00 21.32 H new ATOM 0 HD22 ASN A 455 8.421 -20.658 -3.156 1.00 21.32 H new ATOM 967 N PRO A 456 11.783 -15.873 -3.689 1.00 50.02 N ATOM 968 CA PRO A 456 12.998 -15.205 -4.241 1.00 72.33 C ATOM 969 C PRO A 456 13.535 -15.462 -5.708 1.00 21.43 C ATOM 970 O PRO A 456 14.394 -14.680 -6.107 1.00 3.20 O ATOM 971 CB PRO A 456 14.100 -15.490 -3.197 1.00 74.45 C ATOM 972 CG PRO A 456 13.419 -16.078 -1.994 1.00 5.54 C ATOM 973 CD PRO A 456 11.933 -15.945 -2.203 1.00 60.52 C ATOM 0 HA PRO A 456 12.688 -14.172 -4.396 1.00 72.33 H new ATOM 0 HB2 PRO A 456 14.842 -16.181 -3.597 1.00 74.45 H new ATOM 0 HB3 PRO A 456 14.628 -14.574 -2.933 1.00 74.45 H new ATOM 0 HG2 PRO A 456 13.696 -17.125 -1.870 1.00 5.54 H new ATOM 0 HG3 PRO A 456 13.726 -15.557 -1.087 1.00 5.54 H new ATOM 0 HD2 PRO A 456 11.394 -16.796 -1.788 1.00 60.52 H new ATOM 0 HD3 PRO A 456 11.540 -15.051 -1.718 1.00 60.52 H new ATOM 981 N VAL A 457 13.096 -16.487 -6.527 1.00 43.51 N ATOM 982 CA VAL A 457 13.607 -16.596 -7.924 1.00 13.22 C ATOM 983 C VAL A 457 13.053 -15.424 -8.791 1.00 44.52 C ATOM 984 O VAL A 457 13.786 -14.840 -9.595 1.00 11.44 O ATOM 985 CB VAL A 457 13.298 -17.966 -8.652 1.00 10.43 C ATOM 986 CG1 VAL A 457 14.171 -18.144 -9.909 1.00 52.45 C ATOM 987 CG2 VAL A 457 13.520 -19.176 -7.752 1.00 61.41 C ATOM 0 H VAL A 457 12.427 -17.206 -6.252 1.00 43.51 H new ATOM 0 HA VAL A 457 14.692 -16.546 -7.827 1.00 13.22 H new ATOM 0 HB VAL A 457 12.244 -17.916 -8.925 1.00 10.43 H new ATOM 0 HG11 VAL A 457 13.933 -19.095 -10.385 1.00 52.45 H new ATOM 0 HG12 VAL A 457 13.975 -17.330 -10.607 1.00 52.45 H new ATOM 0 HG13 VAL A 457 15.223 -18.133 -9.626 1.00 52.45 H new ATOM 0 HG21 VAL A 457 13.292 -20.087 -8.305 1.00 61.41 H new ATOM 0 HG22 VAL A 457 14.559 -19.200 -7.425 1.00 61.41 H new ATOM 0 HG23 VAL A 457 12.867 -19.107 -6.882 1.00 61.41 H new ATOM 997 N SER A 458 11.760 -15.076 -8.598 1.00 33.51 N ATOM 998 CA SER A 458 11.145 -13.911 -9.257 1.00 14.22 C ATOM 999 C SER A 458 11.691 -12.523 -8.757 1.00 4.14 C ATOM 1000 O SER A 458 11.621 -11.568 -9.540 1.00 22.10 O ATOM 1001 CB SER A 458 9.578 -13.961 -9.143 1.00 61.11 C ATOM 1002 OG SER A 458 9.165 -14.216 -7.806 1.00 31.11 O ATOM 0 H SER A 458 11.124 -15.590 -7.988 1.00 33.51 H new ATOM 0 HA SER A 458 11.436 -13.986 -10.305 1.00 14.22 H new ATOM 0 HB2 SER A 458 9.156 -13.015 -9.482 1.00 61.11 H new ATOM 0 HB3 SER A 458 9.188 -14.738 -9.801 1.00 61.11 H new ATOM 0 HG SER A 458 8.985 -13.367 -7.352 1.00 31.11 H new ATOM 1008 N ALA A 459 12.265 -12.378 -7.503 1.00 65.24 N ATOM 1009 CA ALA A 459 12.501 -11.021 -6.956 1.00 71.03 C ATOM 1010 C ALA A 459 13.728 -10.283 -7.511 1.00 22.10 C ATOM 1011 O ALA A 459 13.583 -9.128 -7.892 1.00 23.22 O ATOM 1012 CB ALA A 459 12.505 -10.998 -5.432 1.00 32.42 C ATOM 0 H ALA A 459 12.551 -13.148 -6.899 1.00 65.24 H new ATOM 0 HA ALA A 459 11.640 -10.458 -7.317 1.00 71.03 H new ATOM 0 HB1 ALA A 459 12.682 -9.980 -5.084 1.00 32.42 H new ATOM 0 HB2 ALA A 459 11.541 -11.346 -5.060 1.00 32.42 H new ATOM 0 HB3 ALA A 459 13.295 -11.651 -5.060 1.00 32.42 H new ATOM 1018 N GLN A 460 14.931 -10.894 -7.520 1.00 20.42 N ATOM 1019 CA GLN A 460 16.112 -10.266 -8.125 1.00 62.23 C ATOM 1020 C GLN A 460 15.951 -9.955 -9.641 1.00 70.35 C ATOM 1021 O GLN A 460 16.500 -8.942 -10.087 1.00 64.31 O ATOM 1022 CB GLN A 460 17.403 -11.051 -7.814 1.00 4.20 C ATOM 1023 CG GLN A 460 18.058 -10.686 -6.466 1.00 13.42 C ATOM 1024 CD GLN A 460 19.243 -11.571 -6.118 1.00 32.41 C ATOM 1025 OE1 GLN A 460 19.304 -12.741 -6.495 1.00 73.34 O ATOM 1026 NE2 GLN A 460 20.191 -11.003 -5.397 1.00 4.35 N ATOM 0 H GLN A 460 15.104 -11.815 -7.117 1.00 20.42 H new ATOM 0 HA GLN A 460 16.206 -9.291 -7.648 1.00 62.23 H new ATOM 0 HB2 GLN A 460 17.176 -12.117 -7.818 1.00 4.20 H new ATOM 0 HB3 GLN A 460 18.123 -10.876 -8.614 1.00 4.20 H new ATOM 0 HG2 GLN A 460 18.386 -9.647 -6.498 1.00 13.42 H new ATOM 0 HG3 GLN A 460 17.312 -10.761 -5.675 1.00 13.42 H new ATOM 0 HE21 GLN A 460 20.097 -10.030 -5.107 1.00 4.35 H new ATOM 0 HE22 GLN A 460 21.018 -11.537 -5.130 1.00 4.35 H new ATOM 1035 N ALA A 461 15.227 -10.787 -10.454 1.00 4.51 N ATOM 1036 CA ALA A 461 14.880 -10.346 -11.810 1.00 10.12 C ATOM 1037 C ALA A 461 13.841 -9.100 -11.928 1.00 3.02 C ATOM 1038 O ALA A 461 13.885 -8.433 -12.960 1.00 31.22 O ATOM 1039 CB ALA A 461 14.599 -11.575 -12.744 1.00 61.02 C ATOM 0 H ALA A 461 14.895 -11.716 -10.196 1.00 4.51 H new ATOM 0 HA ALA A 461 15.772 -9.858 -12.203 1.00 10.12 H new ATOM 0 HB1 ALA A 461 14.344 -11.222 -13.743 1.00 61.02 H new ATOM 0 HB2 ALA A 461 15.489 -12.203 -12.797 1.00 61.02 H new ATOM 0 HB3 ALA A 461 13.769 -12.156 -12.342 1.00 61.02 H new ATOM 1045 N ALA A 462 12.929 -8.743 -10.911 1.00 11.25 N ATOM 1046 CA ALA A 462 12.164 -7.398 -10.909 1.00 41.52 C ATOM 1047 C ALA A 462 12.904 -6.204 -10.242 1.00 4.44 C ATOM 1048 O ALA A 462 12.765 -5.091 -10.756 1.00 74.11 O ATOM 1049 CB ALA A 462 10.745 -7.489 -10.296 1.00 54.03 C ATOM 0 H ALA A 462 12.714 -9.342 -10.114 1.00 11.25 H new ATOM 0 HA ALA A 462 12.094 -7.190 -11.977 1.00 41.52 H new ATOM 0 HB1 ALA A 462 10.271 -6.508 -10.329 1.00 54.03 H new ATOM 0 HB2 ALA A 462 10.147 -8.201 -10.866 1.00 54.03 H new ATOM 0 HB3 ALA A 462 10.817 -7.822 -9.261 1.00 54.03 H new ATOM 1055 N ILE A 463 13.686 -6.410 -9.135 1.00 73.43 N ATOM 1056 CA ILE A 463 14.193 -5.304 -8.282 1.00 42.10 C ATOM 1057 C ILE A 463 15.122 -4.286 -9.055 1.00 13.11 C ATOM 1058 O ILE A 463 15.122 -3.098 -8.718 1.00 15.33 O ATOM 1059 CB ILE A 463 14.794 -5.856 -6.861 1.00 43.04 C ATOM 1060 CG1 ILE A 463 13.748 -5.830 -5.695 1.00 0.44 C ATOM 1061 CG2 ILE A 463 16.070 -5.138 -6.329 1.00 50.30 C ATOM 1062 CD1 ILE A 463 12.245 -5.966 -6.012 1.00 34.23 C ATOM 0 H ILE A 463 13.974 -7.336 -8.820 1.00 73.43 H new ATOM 0 HA ILE A 463 13.334 -4.692 -8.007 1.00 42.10 H new ATOM 0 HB ILE A 463 15.064 -6.876 -7.135 1.00 43.04 H new ATOM 0 HG12 ILE A 463 14.009 -6.633 -5.006 1.00 0.44 H new ATOM 0 HG13 ILE A 463 13.883 -4.892 -5.157 1.00 0.44 H new ATOM 0 HG21 ILE A 463 16.374 -5.589 -5.384 1.00 50.30 H new ATOM 0 HG22 ILE A 463 16.875 -5.241 -7.056 1.00 50.30 H new ATOM 0 HG23 ILE A 463 15.855 -4.081 -6.174 1.00 50.30 H new ATOM 0 HD11 ILE A 463 11.673 -5.927 -5.085 1.00 34.23 H new ATOM 0 HD12 ILE A 463 11.935 -5.150 -6.665 1.00 34.23 H new ATOM 0 HD13 ILE A 463 12.063 -6.918 -6.511 1.00 34.23 H new ATOM 1074 N GLN A 464 15.863 -4.732 -10.118 1.00 62.42 N ATOM 1075 CA GLN A 464 16.696 -3.829 -10.950 1.00 31.35 C ATOM 1076 C GLN A 464 15.993 -3.209 -12.246 1.00 13.03 C ATOM 1077 O GLN A 464 16.403 -2.105 -12.634 1.00 15.30 O ATOM 1078 CB GLN A 464 18.088 -4.492 -11.257 1.00 25.42 C ATOM 1079 CG GLN A 464 18.962 -4.798 -10.013 1.00 65.43 C ATOM 1080 CD GLN A 464 19.949 -5.915 -10.300 1.00 51.50 C ATOM 1081 OE1 GLN A 464 20.410 -6.084 -11.427 1.00 33.15 O ATOM 1082 NE2 GLN A 464 20.266 -6.700 -9.286 1.00 63.30 N ATOM 0 H GLN A 464 15.894 -5.709 -10.410 1.00 62.42 H new ATOM 0 HA GLN A 464 16.855 -2.942 -10.336 1.00 31.35 H new ATOM 0 HB2 GLN A 464 17.918 -5.422 -11.799 1.00 25.42 H new ATOM 0 HB3 GLN A 464 18.648 -3.833 -11.921 1.00 25.42 H new ATOM 0 HG2 GLN A 464 19.502 -3.899 -9.714 1.00 65.43 H new ATOM 0 HG3 GLN A 464 18.323 -5.079 -9.176 1.00 65.43 H new ATOM 0 HE21 GLN A 464 19.864 -6.530 -8.364 1.00 63.30 H new ATOM 0 HE22 GLN A 464 20.913 -7.476 -9.425 1.00 63.30 H new ATOM 1091 N ALA A 465 14.951 -3.851 -12.926 1.00 45.00 N ATOM 1092 CA ALA A 465 14.156 -3.174 -14.040 1.00 11.33 C ATOM 1093 C ALA A 465 13.373 -1.891 -13.606 1.00 70.33 C ATOM 1094 O ALA A 465 12.807 -1.213 -14.469 1.00 62.24 O ATOM 1095 CB ALA A 465 13.209 -4.145 -14.835 1.00 22.45 C ATOM 0 H ALA A 465 14.654 -4.806 -12.726 1.00 45.00 H new ATOM 0 HA ALA A 465 14.944 -2.848 -14.719 1.00 11.33 H new ATOM 0 HB1 ALA A 465 12.681 -3.586 -15.608 1.00 22.45 H new ATOM 0 HB2 ALA A 465 13.802 -4.933 -15.299 1.00 22.45 H new ATOM 0 HB3 ALA A 465 12.486 -4.590 -14.151 1.00 22.45 H new ATOM 1101 N MET A 466 13.343 -1.560 -12.293 1.00 5.42 N ATOM 1102 CA MET A 466 12.540 -0.437 -11.750 1.00 1.35 C ATOM 1103 C MET A 466 13.458 0.528 -10.927 1.00 52.42 C ATOM 1104 O MET A 466 12.966 1.354 -10.167 1.00 3.01 O ATOM 1105 CB MET A 466 11.360 -1.011 -10.896 1.00 23.53 C ATOM 1106 CG MET A 466 10.054 -0.164 -10.840 1.00 62.04 C ATOM 1107 SD MET A 466 8.812 -0.655 -12.066 1.00 62.45 S ATOM 1108 CE MET A 466 9.568 -0.145 -13.604 1.00 71.44 C ATOM 0 H MET A 466 13.873 -2.063 -11.581 1.00 5.42 H new ATOM 0 HA MET A 466 12.109 0.148 -12.563 1.00 1.35 H new ATOM 0 HB2 MET A 466 11.108 -1.998 -11.285 1.00 23.53 H new ATOM 0 HB3 MET A 466 11.717 -1.152 -9.876 1.00 23.53 H new ATOM 0 HG2 MET A 466 9.620 -0.247 -9.843 1.00 62.04 H new ATOM 0 HG3 MET A 466 10.306 0.886 -10.991 1.00 62.04 H new ATOM 0 HE1 MET A 466 8.807 -0.089 -14.382 1.00 71.44 H new ATOM 0 HE2 MET A 466 10.029 0.834 -13.476 1.00 71.44 H new ATOM 0 HE3 MET A 466 10.330 -0.869 -13.893 1.00 71.44 H new ATOM 1118 N ASN A 467 14.804 0.400 -11.087 1.00 43.52 N ATOM 1119 CA ASN A 467 15.812 1.144 -10.289 1.00 5.15 C ATOM 1120 C ASN A 467 16.103 2.574 -10.857 1.00 24.13 C ATOM 1121 O ASN A 467 16.738 2.640 -11.909 1.00 72.33 O ATOM 1122 CB ASN A 467 17.096 0.291 -10.251 1.00 41.05 C ATOM 1123 CG ASN A 467 17.931 0.604 -9.014 1.00 13.03 C ATOM 1124 OD1 ASN A 467 17.381 0.931 -7.962 1.00 0.11 O ATOM 1125 ND2 ASN A 467 19.256 0.534 -9.121 1.00 62.21 N ATOM 0 H ASN A 467 15.219 -0.226 -11.777 1.00 43.52 H new ATOM 0 HA ASN A 467 15.422 1.306 -9.284 1.00 5.15 H new ATOM 0 HB2 ASN A 467 16.833 -0.767 -10.257 1.00 41.05 H new ATOM 0 HB3 ASN A 467 17.686 0.478 -11.148 1.00 41.05 H new ATOM 0 HD21 ASN A 467 19.845 0.754 -8.318 1.00 62.21 H new ATOM 0 HD22 ASN A 467 19.682 0.260 -10.006 1.00 62.21 H new ATOM 1132 N GLY A 468 15.654 3.732 -10.213 1.00 42.20 N ATOM 1133 CA GLY A 468 16.075 5.055 -10.729 1.00 32.01 C ATOM 1134 C GLY A 468 15.381 5.524 -12.022 1.00 31.03 C ATOM 1135 O GLY A 468 15.903 6.405 -12.717 1.00 72.03 O ATOM 0 H GLY A 468 15.044 3.752 -9.395 1.00 42.20 H new ATOM 0 HA2 GLY A 468 15.897 5.800 -9.953 1.00 32.01 H new ATOM 0 HA3 GLY A 468 17.150 5.029 -10.905 1.00 32.01 H new ATOM 1139 N PHE A 469 14.219 4.963 -12.341 1.00 14.40 N ATOM 1140 CA PHE A 469 13.681 5.010 -13.699 1.00 33.51 C ATOM 1141 C PHE A 469 12.635 6.156 -13.710 1.00 4.44 C ATOM 1142 O PHE A 469 11.609 6.034 -13.033 1.00 62.10 O ATOM 1143 CB PHE A 469 13.101 3.564 -14.021 1.00 30.30 C ATOM 1144 CG PHE A 469 12.520 3.293 -15.400 1.00 34.14 C ATOM 1145 CD1 PHE A 469 11.184 3.549 -15.683 1.00 51.00 C ATOM 1146 CD2 PHE A 469 13.298 2.701 -16.400 1.00 33.34 C ATOM 1147 CE1 PHE A 469 10.647 3.243 -16.905 1.00 15.35 C ATOM 1148 CE2 PHE A 469 12.751 2.403 -17.636 1.00 42.13 C ATOM 1149 CZ PHE A 469 11.422 2.676 -17.887 1.00 63.01 C ATOM 0 H PHE A 469 13.628 4.467 -11.674 1.00 14.40 H new ATOM 0 HA PHE A 469 14.409 5.230 -14.480 1.00 33.51 H new ATOM 0 HB2 PHE A 469 13.902 2.844 -13.854 1.00 30.30 H new ATOM 0 HB3 PHE A 469 12.323 3.351 -13.288 1.00 30.30 H new ATOM 0 HD1 PHE A 469 10.558 3.997 -14.926 1.00 51.00 H new ATOM 0 HD2 PHE A 469 14.336 2.474 -16.206 1.00 33.34 H new ATOM 0 HE1 PHE A 469 9.605 3.449 -17.098 1.00 15.35 H new ATOM 0 HE2 PHE A 469 13.365 1.957 -18.404 1.00 42.13 H new ATOM 0 HZ PHE A 469 10.993 2.445 -18.851 1.00 63.01 H new ATOM 1159 N GLN A 470 12.913 7.300 -14.414 1.00 11.02 N ATOM 1160 CA GLN A 470 12.030 8.480 -14.324 1.00 71.55 C ATOM 1161 C GLN A 470 10.687 8.290 -15.054 1.00 42.54 C ATOM 1162 O GLN A 470 10.658 8.049 -16.259 1.00 31.42 O ATOM 1163 CB GLN A 470 12.755 9.699 -14.915 1.00 23.21 C ATOM 1164 CG GLN A 470 13.265 10.733 -13.899 1.00 33.22 C ATOM 1165 CD GLN A 470 12.211 11.745 -13.432 1.00 4.34 C ATOM 1166 OE1 GLN A 470 10.939 11.372 -13.435 1.00 52.44 O flip ATOM 1167 NE2 GLN A 470 12.549 12.871 -13.081 1.00 23.11 N flip ATOM 0 H GLN A 470 13.719 7.416 -15.028 1.00 11.02 H new ATOM 0 HA GLN A 470 11.803 8.628 -13.268 1.00 71.55 H new ATOM 0 HB2 GLN A 470 13.603 9.344 -15.501 1.00 23.21 H new ATOM 0 HB3 GLN A 470 12.078 10.201 -15.606 1.00 23.21 H new ATOM 0 HG2 GLN A 470 13.654 10.206 -13.028 1.00 33.22 H new ATOM 0 HG3 GLN A 470 14.100 11.276 -14.342 1.00 33.22 H new ATOM 0 HE21 GLN A 470 13.535 13.133 -13.088 1.00 23.11 H new ATOM 0 HE22 GLN A 470 11.844 13.545 -12.782 1.00 23.11 H new ATOM 1176 N ILE A 471 9.573 8.415 -14.303 1.00 34.13 N ATOM 1177 CA ILE A 471 8.217 8.348 -14.876 1.00 13.12 C ATOM 1178 C ILE A 471 7.387 9.531 -14.258 1.00 1.35 C ATOM 1179 O ILE A 471 7.019 9.435 -13.087 1.00 21.43 O ATOM 1180 CB ILE A 471 7.527 6.913 -14.599 1.00 20.43 C ATOM 1181 CG1 ILE A 471 8.313 5.772 -15.330 1.00 15.00 C ATOM 1182 CG2 ILE A 471 6.030 6.856 -14.987 1.00 40.15 C ATOM 1183 CD1 ILE A 471 7.589 4.427 -15.450 1.00 41.41 C ATOM 0 H ILE A 471 9.589 8.563 -13.294 1.00 34.13 H new ATOM 0 HA ILE A 471 8.257 8.450 -15.960 1.00 13.12 H new ATOM 0 HB ILE A 471 7.574 6.764 -13.520 1.00 20.43 H new ATOM 0 HG12 ILE A 471 8.565 6.117 -16.333 1.00 15.00 H new ATOM 0 HG13 ILE A 471 9.253 5.610 -14.803 1.00 15.00 H new ATOM 0 HG21 ILE A 471 5.636 5.863 -14.773 1.00 40.15 H new ATOM 0 HG22 ILE A 471 5.476 7.598 -14.411 1.00 40.15 H new ATOM 0 HG23 ILE A 471 5.922 7.067 -16.051 1.00 40.15 H new ATOM 0 HD11 ILE A 471 8.228 3.715 -15.973 1.00 41.41 H new ATOM 0 HD12 ILE A 471 7.361 4.047 -14.454 1.00 41.41 H new ATOM 0 HD13 ILE A 471 6.663 4.561 -16.008 1.00 41.41 H new ATOM 1195 N GLY A 472 7.148 10.687 -14.981 1.00 34.24 N ATOM 1196 CA GLY A 472 6.368 11.787 -14.388 1.00 64.55 C ATOM 1197 C GLY A 472 7.273 12.787 -13.685 1.00 25.53 C ATOM 1198 O GLY A 472 8.403 13.006 -14.124 1.00 12.33 O ATOM 0 H GLY A 472 7.478 10.855 -15.931 1.00 34.24 H new ATOM 0 HA2 GLY A 472 5.798 12.293 -15.167 1.00 64.55 H new ATOM 0 HA3 GLY A 472 5.647 11.383 -13.677 1.00 64.55 H new ATOM 1202 N MET A 473 6.790 13.389 -12.594 1.00 2.33 N ATOM 1203 CA MET A 473 7.582 14.411 -11.866 1.00 64.33 C ATOM 1204 C MET A 473 8.524 13.760 -10.851 1.00 61.31 C ATOM 1205 O MET A 473 9.438 14.410 -10.333 1.00 3.44 O ATOM 1206 CB MET A 473 6.687 15.446 -11.134 1.00 1.05 C ATOM 1207 CG MET A 473 5.663 16.147 -12.022 1.00 22.24 C ATOM 1208 SD MET A 473 6.404 16.926 -13.472 1.00 55.31 S ATOM 1209 CE MET A 473 4.970 17.745 -14.166 1.00 22.24 C ATOM 0 H MET A 473 5.872 13.198 -12.193 1.00 2.33 H new ATOM 0 HA MET A 473 8.164 14.937 -12.623 1.00 64.33 H new ATOM 0 HB2 MET A 473 6.160 14.941 -10.324 1.00 1.05 H new ATOM 0 HB3 MET A 473 7.327 16.200 -10.677 1.00 1.05 H new ATOM 0 HG2 MET A 473 4.916 15.423 -12.347 1.00 22.24 H new ATOM 0 HG3 MET A 473 5.140 16.904 -11.437 1.00 22.24 H new ATOM 0 HE1 MET A 473 5.258 18.276 -15.073 1.00 22.24 H new ATOM 0 HE2 MET A 473 4.208 17.003 -14.406 1.00 22.24 H new ATOM 0 HE3 MET A 473 4.570 18.455 -13.442 1.00 22.24 H new ATOM 1219 N LYS A 474 8.296 12.477 -10.561 1.00 62.13 N ATOM 1220 CA LYS A 474 9.094 11.770 -9.541 1.00 33.14 C ATOM 1221 C LYS A 474 9.528 10.343 -9.983 1.00 42.33 C ATOM 1222 O LYS A 474 8.862 9.720 -10.809 1.00 5.55 O ATOM 1223 CB LYS A 474 8.326 11.742 -8.168 1.00 40.54 C ATOM 1224 CG LYS A 474 6.754 11.594 -8.208 1.00 30.32 C ATOM 1225 CD LYS A 474 6.107 11.508 -6.787 1.00 45.05 C ATOM 1226 CE LYS A 474 6.056 12.856 -6.029 1.00 53.24 C ATOM 1227 NZ LYS A 474 5.094 13.820 -6.648 1.00 70.15 N ATOM 0 H LYS A 474 7.577 11.908 -11.008 1.00 62.13 H new ATOM 0 HA LYS A 474 10.019 12.332 -9.414 1.00 33.14 H new ATOM 0 HB2 LYS A 474 8.725 10.918 -7.577 1.00 40.54 H new ATOM 0 HB3 LYS A 474 8.563 12.662 -7.633 1.00 40.54 H new ATOM 0 HG2 LYS A 474 6.329 12.443 -8.743 1.00 30.32 H new ATOM 0 HG3 LYS A 474 6.494 10.699 -8.773 1.00 30.32 H new ATOM 0 HD2 LYS A 474 5.093 11.121 -6.885 1.00 45.05 H new ATOM 0 HD3 LYS A 474 6.666 10.789 -6.189 1.00 45.05 H new ATOM 0 HE2 LYS A 474 5.771 12.677 -4.992 1.00 53.24 H new ATOM 0 HE3 LYS A 474 7.052 13.299 -6.013 1.00 53.24 H new ATOM 0 HZ1 LYS A 474 5.070 14.695 -6.086 1.00 70.15 H new ATOM 0 HZ2 LYS A 474 5.398 14.040 -7.618 1.00 70.15 H new ATOM 0 HZ3 LYS A 474 4.144 13.397 -6.671 1.00 70.15 H new ATOM 1241 N ARG A 475 10.660 9.822 -9.418 1.00 33.23 N ATOM 1242 CA ARG A 475 11.267 8.548 -9.899 1.00 71.33 C ATOM 1243 C ARG A 475 11.005 7.361 -8.942 1.00 42.50 C ATOM 1244 O ARG A 475 10.886 7.555 -7.727 1.00 63.43 O ATOM 1245 CB ARG A 475 12.813 8.742 -10.100 1.00 23.04 C ATOM 1246 CG ARG A 475 13.780 8.749 -8.837 1.00 41.31 C ATOM 1247 CD ARG A 475 13.614 9.890 -7.775 1.00 43.31 C ATOM 1248 NE ARG A 475 14.841 10.055 -7.003 1.00 32.13 N ATOM 1249 CZ ARG A 475 15.737 11.035 -7.199 1.00 43.14 C ATOM 1250 NH1 ARG A 475 15.549 11.963 -8.143 1.00 63.43 N ATOM 1251 NH2 ARG A 475 16.809 11.096 -6.431 1.00 65.10 N ATOM 0 H ARG A 475 11.160 10.258 -8.643 1.00 33.23 H new ATOM 0 HA ARG A 475 10.791 8.302 -10.848 1.00 71.33 H new ATOM 0 HB2 ARG A 475 13.156 7.951 -10.767 1.00 23.04 H new ATOM 0 HB3 ARG A 475 12.957 9.687 -10.625 1.00 23.04 H new ATOM 0 HG2 ARG A 475 13.659 7.796 -8.322 1.00 41.31 H new ATOM 0 HG3 ARG A 475 14.805 8.785 -9.205 1.00 41.31 H new ATOM 0 HD2 ARG A 475 13.364 10.826 -8.275 1.00 43.31 H new ATOM 0 HD3 ARG A 475 12.786 9.654 -7.106 1.00 43.31 H new ATOM 0 HE ARG A 475 15.031 9.379 -6.263 1.00 32.13 H new ATOM 0 HH11 ARG A 475 14.714 11.933 -8.728 1.00 63.43 H new ATOM 0 HH12 ARG A 475 16.240 12.701 -8.278 1.00 63.43 H new ATOM 0 HH21 ARG A 475 16.950 10.402 -5.697 1.00 65.10 H new ATOM 0 HH22 ARG A 475 17.496 11.837 -6.572 1.00 65.10 H new ATOM 1265 N LEU A 476 10.905 6.135 -9.501 1.00 3.54 N ATOM 1266 CA LEU A 476 10.751 4.906 -8.668 1.00 3.51 C ATOM 1267 C LEU A 476 12.189 4.464 -8.164 1.00 33.41 C ATOM 1268 O LEU A 476 13.003 4.096 -8.998 1.00 11.03 O ATOM 1269 CB LEU A 476 10.103 3.694 -9.504 1.00 74.44 C ATOM 1270 CG LEU A 476 8.648 3.763 -10.164 1.00 52.42 C ATOM 1271 CD1 LEU A 476 7.517 3.930 -9.154 1.00 4.11 C ATOM 1272 CD2 LEU A 476 8.515 4.828 -11.258 1.00 35.14 C ATOM 0 H LEU A 476 10.927 5.963 -10.506 1.00 3.54 H new ATOM 0 HA LEU A 476 10.086 5.135 -7.835 1.00 3.51 H new ATOM 0 HB2 LEU A 476 10.798 3.472 -10.314 1.00 74.44 H new ATOM 0 HB3 LEU A 476 10.100 2.829 -8.840 1.00 74.44 H new ATOM 0 HG LEU A 476 8.543 2.783 -10.629 1.00 52.42 H new ATOM 0 HD11 LEU A 476 6.563 3.968 -9.679 1.00 4.11 H new ATOM 0 HD12 LEU A 476 7.518 3.086 -8.464 1.00 4.11 H new ATOM 0 HD13 LEU A 476 7.661 4.855 -8.596 1.00 4.11 H new ATOM 0 HD21 LEU A 476 7.501 4.814 -11.658 1.00 35.14 H new ATOM 0 HD22 LEU A 476 8.726 5.811 -10.836 1.00 35.14 H new ATOM 0 HD23 LEU A 476 9.224 4.617 -12.059 1.00 35.14 H new ATOM 1284 N LYS A 477 12.549 4.551 -6.831 1.00 23.41 N ATOM 1285 CA LYS A 477 13.863 4.017 -6.319 1.00 44.32 C ATOM 1286 C LYS A 477 13.655 2.769 -5.361 1.00 73.33 C ATOM 1287 O LYS A 477 13.008 2.928 -4.341 1.00 43.10 O ATOM 1288 CB LYS A 477 14.565 5.180 -5.558 1.00 63.51 C ATOM 1289 CG LYS A 477 15.926 5.667 -6.113 1.00 13.14 C ATOM 1290 CD LYS A 477 16.997 4.572 -6.107 1.00 20.04 C ATOM 1291 CE LYS A 477 18.342 5.081 -6.620 1.00 74.14 C ATOM 1292 NZ LYS A 477 18.900 6.155 -5.755 1.00 54.33 N ATOM 0 H LYS A 477 11.962 4.975 -6.113 1.00 23.41 H new ATOM 0 HA LYS A 477 14.473 3.669 -7.152 1.00 44.32 H new ATOM 0 HB2 LYS A 477 13.884 6.031 -5.538 1.00 63.51 H new ATOM 0 HB3 LYS A 477 14.714 4.867 -4.525 1.00 63.51 H new ATOM 0 HG2 LYS A 477 15.789 6.029 -7.132 1.00 13.14 H new ATOM 0 HG3 LYS A 477 16.274 6.512 -5.519 1.00 13.14 H new ATOM 0 HD2 LYS A 477 17.117 4.189 -5.094 1.00 20.04 H new ATOM 0 HD3 LYS A 477 16.666 3.738 -6.726 1.00 20.04 H new ATOM 0 HE2 LYS A 477 19.048 4.252 -6.669 1.00 74.14 H new ATOM 0 HE3 LYS A 477 18.223 5.459 -7.635 1.00 74.14 H new ATOM 0 HZ1 LYS A 477 19.892 6.330 -6.014 1.00 54.33 H new ATOM 0 HZ2 LYS A 477 18.349 7.027 -5.886 1.00 54.33 H new ATOM 0 HZ3 LYS A 477 18.850 5.860 -4.759 1.00 54.33 H new ATOM 1306 N VAL A 478 14.216 1.533 -5.646 1.00 64.44 N ATOM 1307 CA VAL A 478 13.706 0.287 -4.999 1.00 24.21 C ATOM 1308 C VAL A 478 14.897 -0.692 -4.597 1.00 61.24 C ATOM 1309 O VAL A 478 15.917 -0.698 -5.292 1.00 43.25 O ATOM 1310 CB VAL A 478 12.675 -0.387 -5.990 1.00 62.40 C ATOM 1311 CG1 VAL A 478 12.607 -1.900 -5.840 1.00 54.00 C ATOM 1312 CG2 VAL A 478 11.243 0.220 -5.912 1.00 75.34 C ATOM 0 H VAL A 478 14.990 1.390 -6.295 1.00 64.44 H new ATOM 0 HA VAL A 478 13.200 0.526 -4.064 1.00 24.21 H new ATOM 0 HB VAL A 478 13.073 -0.160 -6.979 1.00 62.40 H new ATOM 0 HG11 VAL A 478 11.882 -2.304 -6.547 1.00 54.00 H new ATOM 0 HG12 VAL A 478 13.588 -2.330 -6.041 1.00 54.00 H new ATOM 0 HG13 VAL A 478 12.302 -2.152 -4.824 1.00 54.00 H new ATOM 0 HG21 VAL A 478 10.592 -0.292 -6.620 1.00 75.34 H new ATOM 0 HG22 VAL A 478 10.850 0.097 -4.903 1.00 75.34 H new ATOM 0 HG23 VAL A 478 11.284 1.281 -6.159 1.00 75.34 H new ATOM 1322 N GLN A 479 14.767 -1.523 -3.488 1.00 53.22 N ATOM 1323 CA GLN A 479 15.814 -2.541 -3.113 1.00 34.54 C ATOM 1324 C GLN A 479 15.261 -3.731 -2.277 1.00 24.45 C ATOM 1325 O GLN A 479 14.077 -3.725 -1.913 1.00 5.35 O ATOM 1326 CB GLN A 479 17.032 -1.895 -2.424 1.00 65.30 C ATOM 1327 CG GLN A 479 18.330 -2.255 -3.130 1.00 13.12 C ATOM 1328 CD GLN A 479 19.582 -1.650 -2.520 1.00 41.11 C ATOM 1329 OE1 GLN A 479 19.561 -0.562 -1.944 1.00 24.52 O ATOM 1330 NE2 GLN A 479 20.686 -2.364 -2.664 1.00 4.43 N ATOM 0 H GLN A 479 13.964 -1.502 -2.859 1.00 53.22 H new ATOM 0 HA GLN A 479 16.148 -2.965 -4.060 1.00 34.54 H new ATOM 0 HB2 GLN A 479 16.912 -0.812 -2.412 1.00 65.30 H new ATOM 0 HB3 GLN A 479 17.079 -2.222 -1.385 1.00 65.30 H new ATOM 0 HG2 GLN A 479 18.434 -3.340 -3.135 1.00 13.12 H new ATOM 0 HG3 GLN A 479 18.261 -1.937 -4.170 1.00 13.12 H new ATOM 0 HE21 GLN A 479 20.654 -3.261 -3.149 1.00 4.43 H new ATOM 0 HE22 GLN A 479 21.570 -2.018 -2.290 1.00 4.43 H new ATOM 1339 N LEU A 480 16.110 -4.810 -2.027 1.00 11.31 N ATOM 1340 CA LEU A 480 15.689 -5.942 -1.074 1.00 0.12 C ATOM 1341 C LEU A 480 15.590 -5.292 0.338 1.00 24.53 C ATOM 1342 O LEU A 480 16.236 -4.246 0.518 1.00 42.23 O ATOM 1343 CB LEU A 480 16.717 -7.164 -0.971 1.00 64.44 C ATOM 1344 CG LEU A 480 16.400 -8.625 -1.547 1.00 3.01 C ATOM 1345 CD1 LEU A 480 16.572 -8.677 -3.064 1.00 1.53 C ATOM 1346 CD2 LEU A 480 17.374 -9.614 -0.890 1.00 44.11 C ATOM 0 H LEU A 480 17.035 -4.922 -2.442 1.00 11.31 H new ATOM 0 HA LEU A 480 14.761 -6.366 -1.457 1.00 0.12 H new ATOM 0 HB2 LEU A 480 17.637 -6.835 -1.453 1.00 64.44 H new ATOM 0 HB3 LEU A 480 16.940 -7.291 0.088 1.00 64.44 H new ATOM 0 HG LEU A 480 15.365 -8.881 -1.322 1.00 3.01 H new ATOM 0 HD11 LEU A 480 16.349 -9.682 -3.421 1.00 1.53 H new ATOM 0 HD12 LEU A 480 15.891 -7.966 -3.532 1.00 1.53 H new ATOM 0 HD13 LEU A 480 17.599 -8.419 -3.323 1.00 1.53 H new ATOM 0 HD21 LEU A 480 17.180 -10.619 -1.265 1.00 44.11 H new ATOM 0 HD22 LEU A 480 18.399 -9.329 -1.129 1.00 44.11 H new ATOM 0 HD23 LEU A 480 17.236 -9.597 0.191 1.00 44.11 H new ATOM 1358 N LYS A 481 14.784 -5.841 1.318 1.00 21.35 N ATOM 1359 CA LYS A 481 14.707 -5.206 2.701 1.00 70.53 C ATOM 1360 C LYS A 481 16.103 -5.103 3.303 1.00 33.23 C ATOM 1361 O LYS A 481 16.750 -6.095 3.649 1.00 53.12 O ATOM 1362 CB LYS A 481 13.757 -5.953 3.729 1.00 0.23 C ATOM 1363 CG LYS A 481 13.753 -5.454 5.247 1.00 50.23 C ATOM 1364 CD LYS A 481 14.774 -6.173 6.171 1.00 44.05 C ATOM 1365 CE LYS A 481 14.115 -6.831 7.406 1.00 24.40 C ATOM 1366 NZ LYS A 481 13.688 -5.840 8.447 1.00 14.20 N ATOM 0 H LYS A 481 14.208 -6.673 1.194 1.00 21.35 H new ATOM 0 HA LYS A 481 14.266 -4.223 2.539 1.00 70.53 H new ATOM 0 HB2 LYS A 481 12.737 -5.883 3.352 1.00 0.23 H new ATOM 0 HB3 LYS A 481 14.026 -7.009 3.726 1.00 0.23 H new ATOM 0 HG2 LYS A 481 13.960 -4.384 5.264 1.00 50.23 H new ATOM 0 HG3 LYS A 481 12.753 -5.592 5.658 1.00 50.23 H new ATOM 0 HD2 LYS A 481 15.300 -6.936 5.597 1.00 44.05 H new ATOM 0 HD3 LYS A 481 15.522 -5.454 6.505 1.00 44.05 H new ATOM 0 HE2 LYS A 481 13.247 -7.406 7.083 1.00 24.40 H new ATOM 0 HE3 LYS A 481 14.817 -7.536 7.851 1.00 24.40 H new ATOM 0 HZ1 LYS A 481 13.803 -6.258 9.392 1.00 14.20 H new ATOM 0 HZ2 LYS A 481 14.275 -4.985 8.373 1.00 14.20 H new ATOM 0 HZ3 LYS A 481 12.690 -5.589 8.299 1.00 14.20 H new ATOM 1380 N ARG A 482 16.586 -3.878 3.301 1.00 75.22 N ATOM 1381 CA ARG A 482 17.774 -3.503 4.010 1.00 21.43 C ATOM 1382 C ARG A 482 17.326 -2.653 5.231 1.00 30.53 C ATOM 1383 O ARG A 482 16.711 -1.597 5.045 1.00 63.11 O ATOM 1384 CB ARG A 482 18.776 -2.815 2.985 1.00 13.52 C ATOM 1385 CG ARG A 482 18.549 -1.337 2.546 1.00 13.23 C ATOM 1386 CD ARG A 482 17.197 -1.015 1.879 1.00 4.03 C ATOM 1387 NE ARG A 482 17.130 0.390 1.480 1.00 4.35 N ATOM 1388 CZ ARG A 482 16.159 1.246 1.839 1.00 44.34 C ATOM 1389 NH1 ARG A 482 15.170 0.864 2.656 1.00 72.52 N ATOM 1390 NH2 ARG A 482 16.185 2.494 1.392 1.00 14.52 N ATOM 0 H ARG A 482 16.150 -3.107 2.795 1.00 75.22 H new ATOM 0 HA ARG A 482 18.340 -4.339 4.421 1.00 21.43 H new ATOM 0 HB2 ARG A 482 19.774 -2.875 3.418 1.00 13.52 H new ATOM 0 HB3 ARG A 482 18.784 -3.424 2.081 1.00 13.52 H new ATOM 0 HG2 ARG A 482 18.656 -0.700 3.424 1.00 13.23 H new ATOM 0 HG3 ARG A 482 19.345 -1.061 1.854 1.00 13.23 H new ATOM 0 HD2 ARG A 482 17.058 -1.652 1.005 1.00 4.03 H new ATOM 0 HD3 ARG A 482 16.384 -1.240 2.570 1.00 4.03 H new ATOM 0 HE ARG A 482 17.877 0.747 0.884 1.00 4.35 H new ATOM 0 HH11 ARG A 482 15.146 -0.090 3.016 1.00 72.52 H new ATOM 0 HH12 ARG A 482 14.441 1.527 2.919 1.00 72.52 H new ATOM 0 HH21 ARG A 482 16.940 2.800 0.778 1.00 14.52 H new ATOM 0 HH22 ARG A 482 15.450 3.148 1.662 1.00 14.52 H new ATOM 1404 N SER A 483 17.541 -3.168 6.473 1.00 13.25 N ATOM 1405 CA SER A 483 17.161 -2.476 7.734 1.00 1.15 C ATOM 1406 C SER A 483 15.613 -2.370 7.955 1.00 41.13 C ATOM 1407 O SER A 483 15.086 -3.250 8.636 1.00 22.32 O ATOM 1408 CB SER A 483 17.913 -1.130 7.905 1.00 21.33 C ATOM 1409 OG SER A 483 19.305 -1.361 8.093 1.00 41.12 O ATOM 0 H SER A 483 17.983 -4.075 6.626 1.00 13.25 H new ATOM 0 HA SER A 483 17.499 -3.118 8.548 1.00 1.15 H new ATOM 0 HB2 SER A 483 17.757 -0.504 7.026 1.00 21.33 H new ATOM 0 HB3 SER A 483 17.509 -0.586 8.759 1.00 21.33 H new ATOM 0 HG SER A 483 19.768 -0.503 8.198 1.00 41.12 H new