USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=13 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 426 MET CE :methyl -141:sc= -2.53! (180deg=-4.13!) USER MOD Set 1.2: A 430 ASN : amide:sc=-0.00732 K(o=-2.5,f=-4.2) USER MOD Single : A 398 GLN : amide:sc= -0.376 X(o=-0.38,f=-0.0023) USER MOD Single : A 399 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.442) USER MOD Single : A 406 ASN : amide:sc= -0.0153 X(o=-0.015,f=-0.015) USER MOD Single : A 410 TYR OH : rot 180:sc= 0 USER MOD Single : A 411 HIS : no HD1:sc= -0.0717 X(o=-0.072,f=-0.0077) USER MOD Single : A 414 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 419 GLN :FLIP amide:sc= -0.128 F(o=-1.2!,f=-0.13) USER MOD Single : A 423 GLN : amide:sc= -0.568 K(o=-0.57,f=-1.5) USER MOD Single : A 424 MET CE :methyl -163:sc= -0.0527 (180deg=-0.389) USER MOD Single : A 433 SER OG : rot -140:sc= -0.257 USER MOD Single : A 435 LYS NZ :NH3+ -170:sc= -0.0301 (180deg=-0.165) USER MOD Single : A 452 SER OG : rot 180:sc= 0 USER MOD Single : A 453 TYR OH : rot 180:sc= -0.0195 USER MOD Single : A 455 ASN : amide:sc= -0.391 X(o=-0.39,f=-0.39) USER MOD Single : A 458 SER OG : rot 122:sc= 0.864 USER MOD Single : A 460 GLN : amide:sc= -1.94! C(o=-1.9!,f=-3.7!) USER MOD Single : A 464 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 466 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 467 ASN : amide:sc= 0.12 K(o=0.12,f=-1.6) USER MOD Single : A 470 GLN :FLIP amide:sc= -0.192 F(o=-0.87,f=-0.19) USER MOD Single : A 473 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 474 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 477 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 479 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.46) USER MOD Single : A 481 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0842) USER MOD Single : A 483 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 56 N GLN A 398 -2.174 -7.569 8.177 1.00 64.42 N ATOM 57 CA GLN A 398 -1.689 -7.268 6.816 1.00 44.25 C ATOM 58 C GLN A 398 -0.562 -8.236 6.412 1.00 4.24 C ATOM 59 O GLN A 398 0.446 -8.343 7.120 1.00 63.54 O ATOM 60 CB GLN A 398 -1.137 -5.822 6.751 1.00 61.00 C ATOM 61 CG GLN A 398 -1.916 -4.742 7.540 1.00 13.55 C ATOM 62 CD GLN A 398 -1.021 -3.626 8.102 1.00 60.13 C ATOM 63 OE1 GLN A 398 -1.362 -3.009 9.109 1.00 3.45 O ATOM 64 NE2 GLN A 398 0.133 -3.366 7.487 1.00 42.43 N ATOM 0 HA GLN A 398 -2.530 -7.380 6.132 1.00 44.25 H new ATOM 0 HB2 GLN A 398 -0.110 -5.834 7.115 1.00 61.00 H new ATOM 0 HB3 GLN A 398 -1.101 -5.519 5.705 1.00 61.00 H new ATOM 0 HG2 GLN A 398 -2.668 -4.299 6.887 1.00 13.55 H new ATOM 0 HG3 GLN A 398 -2.449 -5.218 8.363 1.00 13.55 H new ATOM 0 HE21 GLN A 398 0.396 -3.891 6.653 1.00 42.43 H new ATOM 0 HE22 GLN A 398 0.753 -2.643 7.851 1.00 42.43 H new ATOM 73 N LYS A 399 -0.741 -8.944 5.271 1.00 71.22 N ATOM 74 CA LYS A 399 0.251 -9.944 4.827 1.00 3.45 C ATOM 75 C LYS A 399 1.453 -9.234 4.195 1.00 22.43 C ATOM 76 O LYS A 399 1.347 -8.695 3.089 1.00 11.41 O ATOM 77 CB LYS A 399 -0.360 -10.932 3.768 1.00 42.31 C ATOM 78 CG LYS A 399 -1.271 -12.104 4.264 1.00 51.03 C ATOM 79 CD LYS A 399 -0.540 -13.476 4.472 1.00 41.54 C ATOM 80 CE LYS A 399 0.667 -13.453 5.432 1.00 64.15 C ATOM 81 NZ LYS A 399 1.944 -13.093 4.746 1.00 53.43 N ATOM 0 H LYS A 399 -1.547 -8.843 4.654 1.00 71.22 H new ATOM 0 HA LYS A 399 0.559 -10.515 5.703 1.00 3.45 H new ATOM 0 HB2 LYS A 399 -0.941 -10.339 3.061 1.00 42.31 H new ATOM 0 HB3 LYS A 399 0.468 -11.371 3.211 1.00 42.31 H new ATOM 0 HG2 LYS A 399 -1.733 -11.810 5.207 1.00 51.03 H new ATOM 0 HG3 LYS A 399 -2.077 -12.246 3.544 1.00 51.03 H new ATOM 0 HD2 LYS A 399 -1.264 -14.199 4.846 1.00 41.54 H new ATOM 0 HD3 LYS A 399 -0.201 -13.837 3.501 1.00 41.54 H new ATOM 0 HE2 LYS A 399 0.476 -12.738 6.232 1.00 64.15 H new ATOM 0 HE3 LYS A 399 0.774 -14.432 5.898 1.00 64.15 H new ATOM 0 HZ1 LYS A 399 2.749 -13.381 5.338 1.00 53.43 H new ATOM 0 HZ2 LYS A 399 1.995 -13.582 3.829 1.00 53.43 H new ATOM 0 HZ3 LYS A 399 1.978 -12.065 4.593 1.00 53.43 H new ATOM 95 N GLU A 400 2.592 -9.257 4.905 1.00 63.04 N ATOM 96 CA GLU A 400 3.878 -8.782 4.362 1.00 20.30 C ATOM 97 C GLU A 400 4.585 -9.923 3.601 1.00 62.21 C ATOM 98 O GLU A 400 4.387 -11.093 3.991 1.00 32.53 O ATOM 99 CB GLU A 400 4.761 -8.191 5.530 1.00 73.12 C ATOM 100 CG GLU A 400 4.984 -9.119 6.750 1.00 33.31 C ATOM 101 CD GLU A 400 5.833 -8.477 7.828 1.00 72.15 C ATOM 102 OE1 GLU A 400 5.263 -7.816 8.725 1.00 70.14 O ATOM 103 OE2 GLU A 400 7.070 -8.656 7.800 1.00 30.31 O ATOM 0 H GLU A 400 2.650 -9.602 5.863 1.00 63.04 H new ATOM 0 HA GLU A 400 3.708 -7.979 3.644 1.00 20.30 H new ATOM 0 HB2 GLU A 400 5.735 -7.921 5.121 1.00 73.12 H new ATOM 0 HB3 GLU A 400 4.296 -7.270 5.880 1.00 73.12 H new ATOM 0 HG2 GLU A 400 4.018 -9.396 7.172 1.00 33.31 H new ATOM 0 HG3 GLU A 400 5.462 -10.040 6.417 1.00 33.31 H new ATOM 110 N GLY A 401 5.293 -9.609 2.442 1.00 0.55 N ATOM 111 CA GLY A 401 6.202 -10.534 1.793 1.00 52.00 C ATOM 112 C GLY A 401 7.013 -11.498 2.707 1.00 54.43 C ATOM 113 O GLY A 401 7.560 -11.059 3.733 1.00 52.45 O ATOM 0 H GLY A 401 5.220 -8.707 1.971 1.00 0.55 H new ATOM 0 HA2 GLY A 401 5.625 -11.138 1.093 1.00 52.00 H new ATOM 0 HA3 GLY A 401 6.911 -9.953 1.203 1.00 52.00 H new ATOM 117 N PRO A 402 7.145 -12.819 2.328 1.00 60.34 N ATOM 118 CA PRO A 402 7.744 -13.844 3.172 1.00 2.23 C ATOM 119 C PRO A 402 9.256 -13.856 3.067 1.00 12.21 C ATOM 120 O PRO A 402 9.840 -12.967 2.438 1.00 4.23 O ATOM 121 CB PRO A 402 7.161 -15.138 2.598 1.00 45.12 C ATOM 122 CG PRO A 402 7.214 -14.881 1.144 1.00 2.00 C ATOM 123 CD PRO A 402 6.763 -13.442 1.011 1.00 23.13 C ATOM 0 HA PRO A 402 7.532 -13.690 4.230 1.00 2.23 H new ATOM 0 HB2 PRO A 402 7.750 -16.011 2.880 1.00 45.12 H new ATOM 0 HB3 PRO A 402 6.143 -15.315 2.944 1.00 45.12 H new ATOM 0 HG2 PRO A 402 8.220 -15.022 0.750 1.00 2.00 H new ATOM 0 HG3 PRO A 402 6.559 -15.557 0.595 1.00 2.00 H new ATOM 0 HD2 PRO A 402 7.256 -12.944 0.176 1.00 23.13 H new ATOM 0 HD3 PRO A 402 5.690 -13.375 0.834 1.00 23.13 H new ATOM 131 N GLU A 403 9.837 -14.823 3.794 1.00 42.22 N ATOM 132 CA GLU A 403 11.238 -15.246 3.656 1.00 61.12 C ATOM 133 C GLU A 403 11.811 -15.033 2.201 1.00 62.14 C ATOM 134 O GLU A 403 11.498 -15.814 1.298 1.00 62.51 O ATOM 135 CB GLU A 403 11.161 -16.781 3.946 1.00 42.42 C ATOM 136 CG GLU A 403 11.451 -17.090 5.385 1.00 61.41 C ATOM 137 CD GLU A 403 10.849 -18.401 5.872 1.00 12.14 C ATOM 138 OE1 GLU A 403 11.420 -19.470 5.567 1.00 43.10 O ATOM 139 OE2 GLU A 403 9.822 -18.362 6.590 1.00 63.42 O ATOM 0 H GLU A 403 9.333 -15.345 4.511 1.00 42.22 H new ATOM 0 HA GLU A 403 11.892 -14.674 4.314 1.00 61.12 H new ATOM 0 HB2 GLU A 403 10.169 -17.151 3.687 1.00 42.42 H new ATOM 0 HB3 GLU A 403 11.873 -17.307 3.310 1.00 42.42 H new ATOM 0 HG2 GLU A 403 12.531 -17.123 5.528 1.00 61.41 H new ATOM 0 HG3 GLU A 403 11.072 -16.276 6.004 1.00 61.41 H new ATOM 146 N GLY A 404 12.630 -13.953 1.976 1.00 3.53 N ATOM 147 CA GLY A 404 13.475 -13.871 0.799 1.00 55.01 C ATOM 148 C GLY A 404 12.981 -12.879 -0.231 1.00 72.31 C ATOM 149 O GLY A 404 13.810 -12.319 -0.954 1.00 1.21 O ATOM 0 H GLY A 404 12.702 -13.152 2.603 1.00 3.53 H new ATOM 0 HA2 GLY A 404 14.484 -13.593 1.104 1.00 55.01 H new ATOM 0 HA3 GLY A 404 13.541 -14.857 0.340 1.00 55.01 H new ATOM 153 N ALA A 405 11.656 -12.652 -0.348 1.00 63.22 N ATOM 154 CA ALA A 405 11.226 -11.547 -1.196 1.00 4.21 C ATOM 155 C ALA A 405 10.357 -10.592 -0.473 1.00 55.23 C ATOM 156 O ALA A 405 9.298 -10.921 0.069 1.00 23.10 O ATOM 157 CB ALA A 405 10.614 -11.919 -2.529 1.00 41.23 C ATOM 0 H ALA A 405 10.915 -13.186 0.106 1.00 63.22 H new ATOM 0 HA ALA A 405 12.168 -11.062 -1.452 1.00 4.21 H new ATOM 0 HB1 ALA A 405 10.335 -11.013 -3.067 1.00 41.23 H new ATOM 0 HB2 ALA A 405 11.338 -12.482 -3.118 1.00 41.23 H new ATOM 0 HB3 ALA A 405 9.727 -12.531 -2.364 1.00 41.23 H new ATOM 163 N ASN A 406 10.814 -9.393 -0.571 1.00 31.42 N ATOM 164 CA ASN A 406 10.321 -8.289 0.220 1.00 62.40 C ATOM 165 C ASN A 406 10.316 -7.027 -0.650 1.00 72.25 C ATOM 166 O ASN A 406 11.402 -6.515 -0.933 1.00 73.05 O ATOM 167 CB ASN A 406 11.191 -8.170 1.489 1.00 62.30 C ATOM 168 CG ASN A 406 10.814 -9.196 2.550 1.00 4.10 C ATOM 169 OD1 ASN A 406 11.403 -10.272 2.634 1.00 34.53 O ATOM 170 ND2 ASN A 406 9.836 -8.856 3.366 1.00 72.24 N ATOM 0 H ASN A 406 11.560 -9.132 -1.216 1.00 31.42 H new ATOM 0 HA ASN A 406 9.295 -8.444 0.553 1.00 62.40 H new ATOM 0 HB2 ASN A 406 12.240 -8.298 1.221 1.00 62.30 H new ATOM 0 HB3 ASN A 406 11.088 -7.167 1.904 1.00 62.30 H new ATOM 0 HD21 ASN A 406 9.541 -9.496 4.103 1.00 72.24 H new ATOM 0 HD22 ASN A 406 9.374 -7.953 3.260 1.00 72.24 H new ATOM 177 N LEU A 407 9.159 -6.501 -1.100 1.00 33.15 N ATOM 178 CA LEU A 407 9.218 -5.478 -2.145 1.00 51.40 C ATOM 179 C LEU A 407 8.492 -4.230 -1.611 1.00 43.44 C ATOM 180 O LEU A 407 7.282 -4.287 -1.463 1.00 71.21 O ATOM 181 CB LEU A 407 8.553 -6.031 -3.486 1.00 2.43 C ATOM 182 CG LEU A 407 9.215 -7.211 -4.287 1.00 1.41 C ATOM 183 CD1 LEU A 407 9.026 -8.565 -3.613 1.00 14.25 C ATOM 184 CD2 LEU A 407 8.591 -7.270 -5.673 1.00 51.14 C ATOM 0 H LEU A 407 8.226 -6.753 -0.775 1.00 33.15 H new ATOM 0 HA LEU A 407 10.248 -5.218 -2.390 1.00 51.40 H new ATOM 0 HB2 LEU A 407 7.539 -6.344 -3.235 1.00 2.43 H new ATOM 0 HB3 LEU A 407 8.466 -5.188 -4.171 1.00 2.43 H new ATOM 0 HG LEU A 407 10.286 -7.013 -4.332 1.00 1.41 H new ATOM 0 HD11 LEU A 407 9.504 -9.340 -4.212 1.00 14.25 H new ATOM 0 HD12 LEU A 407 9.477 -8.544 -2.621 1.00 14.25 H new ATOM 0 HD13 LEU A 407 7.961 -8.781 -3.523 1.00 14.25 H new ATOM 0 HD21 LEU A 407 9.041 -8.085 -6.240 1.00 51.14 H new ATOM 0 HD22 LEU A 407 7.518 -7.440 -5.582 1.00 51.14 H new ATOM 0 HD23 LEU A 407 8.766 -6.327 -6.191 1.00 51.14 H new ATOM 196 N PHE A 408 9.194 -3.094 -1.274 1.00 72.13 N ATOM 197 CA PHE A 408 8.403 -1.904 -0.875 1.00 43.02 C ATOM 198 C PHE A 408 8.321 -0.861 -2.018 1.00 43.44 C ATOM 199 O PHE A 408 9.341 -0.256 -2.324 1.00 53.43 O ATOM 200 CB PHE A 408 8.998 -1.234 0.386 1.00 23.25 C ATOM 201 CG PHE A 408 9.264 -2.114 1.578 1.00 41.53 C ATOM 202 CD1 PHE A 408 10.440 -2.850 1.686 1.00 61.41 C ATOM 203 CD2 PHE A 408 8.363 -2.165 2.627 1.00 0.51 C ATOM 204 CE1 PHE A 408 10.692 -3.613 2.800 1.00 63.53 C ATOM 205 CE2 PHE A 408 8.608 -2.931 3.740 1.00 63.24 C ATOM 206 CZ PHE A 408 9.774 -3.657 3.829 1.00 65.22 C ATOM 0 H PHE A 408 10.209 -2.989 -1.272 1.00 72.13 H new ATOM 0 HA PHE A 408 7.396 -2.258 -0.652 1.00 43.02 H new ATOM 0 HB2 PHE A 408 9.937 -0.757 0.103 1.00 23.25 H new ATOM 0 HB3 PHE A 408 8.319 -0.441 0.698 1.00 23.25 H new ATOM 0 HD1 PHE A 408 11.163 -2.821 0.884 1.00 61.41 H new ATOM 0 HD2 PHE A 408 7.450 -1.591 2.569 1.00 0.51 H new ATOM 0 HE1 PHE A 408 11.609 -4.179 2.870 1.00 63.53 H new ATOM 0 HE2 PHE A 408 7.887 -2.964 4.544 1.00 63.24 H new ATOM 0 HZ PHE A 408 9.970 -4.260 4.703 1.00 65.22 H new ATOM 216 N ILE A 409 7.127 -0.626 -2.654 1.00 2.11 N ATOM 217 CA ILE A 409 7.044 0.418 -3.733 1.00 42.31 C ATOM 218 C ILE A 409 6.481 1.748 -3.232 1.00 72.14 C ATOM 219 O ILE A 409 5.286 1.892 -2.958 1.00 52.11 O ATOM 220 CB ILE A 409 6.317 -0.090 -5.055 1.00 55.53 C ATOM 221 CG1 ILE A 409 5.715 -1.510 -4.907 1.00 21.01 C ATOM 222 CG2 ILE A 409 7.295 -0.096 -6.224 1.00 14.54 C ATOM 223 CD1 ILE A 409 4.206 -1.541 -4.861 1.00 44.34 C ATOM 0 H ILE A 409 6.254 -1.115 -2.454 1.00 2.11 H new ATOM 0 HA ILE A 409 8.077 0.610 -4.021 1.00 42.31 H new ATOM 0 HB ILE A 409 5.497 0.604 -5.239 1.00 55.53 H new ATOM 0 HG12 ILE A 409 6.055 -2.125 -5.740 1.00 21.01 H new ATOM 0 HG13 ILE A 409 6.104 -1.964 -3.996 1.00 21.01 H new ATOM 0 HG21 ILE A 409 6.786 -0.445 -7.122 1.00 14.54 H new ATOM 0 HG22 ILE A 409 7.671 0.914 -6.389 1.00 14.54 H new ATOM 0 HG23 ILE A 409 8.129 -0.761 -5.998 1.00 14.54 H new ATOM 0 HD11 ILE A 409 3.866 -2.571 -4.756 1.00 44.34 H new ATOM 0 HD12 ILE A 409 3.856 -0.955 -4.011 1.00 44.34 H new ATOM 0 HD13 ILE A 409 3.805 -1.119 -5.782 1.00 44.34 H new ATOM 235 N TYR A 410 7.403 2.740 -3.127 1.00 32.31 N ATOM 236 CA TYR A 410 7.052 4.089 -2.673 1.00 12.45 C ATOM 237 C TYR A 410 7.285 5.112 -3.812 1.00 14.25 C ATOM 238 O TYR A 410 8.010 4.784 -4.771 1.00 22.32 O ATOM 239 CB TYR A 410 7.814 4.468 -1.336 1.00 11.22 C ATOM 240 CG TYR A 410 9.354 4.670 -1.351 1.00 5.24 C ATOM 241 CD1 TYR A 410 9.960 5.725 -2.046 1.00 24.42 C ATOM 242 CD2 TYR A 410 10.210 3.840 -0.605 1.00 44.33 C ATOM 243 CE1 TYR A 410 11.325 5.934 -2.009 1.00 34.31 C ATOM 244 CE2 TYR A 410 11.590 4.065 -0.577 1.00 74.12 C ATOM 245 CZ TYR A 410 12.125 5.103 -1.277 1.00 45.14 C ATOM 246 OH TYR A 410 13.484 5.302 -1.249 1.00 64.51 O ATOM 0 H TYR A 410 8.390 2.620 -3.353 1.00 32.31 H new ATOM 0 HA TYR A 410 5.990 4.114 -2.427 1.00 12.45 H new ATOM 0 HB2 TYR A 410 7.370 5.389 -0.960 1.00 11.22 H new ATOM 0 HB3 TYR A 410 7.596 3.688 -0.606 1.00 11.22 H new ATOM 0 HD1 TYR A 410 9.342 6.394 -2.627 1.00 24.42 H new ATOM 0 HD2 TYR A 410 9.795 3.015 -0.045 1.00 44.33 H new ATOM 0 HE1 TYR A 410 11.760 6.755 -2.559 1.00 34.31 H new ATOM 0 HE2 TYR A 410 12.231 3.415 -0.000 1.00 74.12 H new ATOM 0 HH TYR A 410 13.902 4.623 -0.680 1.00 64.51 H new ATOM 256 N HIS A 411 6.638 6.329 -3.731 1.00 13.12 N ATOM 257 CA HIS A 411 6.884 7.466 -4.656 1.00 11.13 C ATOM 258 C HIS A 411 6.247 7.245 -6.054 1.00 22.34 C ATOM 259 O HIS A 411 6.745 7.795 -7.047 1.00 42.02 O ATOM 260 CB HIS A 411 8.391 7.825 -4.797 1.00 31.53 C ATOM 261 CG HIS A 411 8.946 8.819 -3.781 1.00 43.51 C ATOM 262 ND1 HIS A 411 10.292 8.856 -3.465 1.00 35.15 N ATOM 263 CD2 HIS A 411 8.372 9.824 -3.029 1.00 34.13 C ATOM 264 CE1 HIS A 411 10.521 9.812 -2.579 1.00 32.15 C ATOM 265 NE2 HIS A 411 9.382 10.412 -2.301 1.00 2.02 N ATOM 0 H HIS A 411 5.936 6.533 -3.020 1.00 13.12 H new ATOM 0 HA HIS A 411 6.389 8.319 -4.191 1.00 11.13 H new ATOM 0 HB2 HIS A 411 8.970 6.904 -4.727 1.00 31.53 H new ATOM 0 HB3 HIS A 411 8.555 8.229 -5.796 1.00 31.53 H new ATOM 0 HD2 HIS A 411 7.327 10.098 -3.014 1.00 34.13 H new ATOM 0 HE1 HIS A 411 11.483 10.059 -2.154 1.00 32.15 H new ATOM 0 HE2 HIS A 411 9.266 11.189 -1.650 1.00 2.02 H new ATOM 274 N LEU A 412 5.138 6.468 -6.110 1.00 34.12 N ATOM 275 CA LEU A 412 4.345 6.260 -7.347 1.00 23.02 C ATOM 276 C LEU A 412 3.827 7.587 -7.947 1.00 54.44 C ATOM 277 O LEU A 412 3.394 8.484 -7.219 1.00 43.41 O ATOM 278 CB LEU A 412 3.143 5.301 -7.085 1.00 42.03 C ATOM 279 CG LEU A 412 2.280 5.610 -5.840 1.00 32.44 C ATOM 280 CD1 LEU A 412 1.043 6.469 -6.107 1.00 63.42 C ATOM 281 CD2 LEU A 412 1.864 4.342 -5.109 1.00 45.53 C ATOM 0 H LEU A 412 4.768 5.969 -5.301 1.00 34.12 H new ATOM 0 HA LEU A 412 5.020 5.806 -8.072 1.00 23.02 H new ATOM 0 HB2 LEU A 412 2.496 5.316 -7.962 1.00 42.03 H new ATOM 0 HB3 LEU A 412 3.529 4.286 -6.991 1.00 42.03 H new ATOM 0 HG LEU A 412 2.941 6.205 -5.210 1.00 32.44 H new ATOM 0 HD11 LEU A 412 0.504 6.630 -5.174 1.00 63.42 H new ATOM 0 HD12 LEU A 412 1.350 7.430 -6.520 1.00 63.42 H new ATOM 0 HD13 LEU A 412 0.393 5.959 -6.818 1.00 63.42 H new ATOM 0 HD21 LEU A 412 1.259 4.604 -4.241 1.00 45.53 H new ATOM 0 HD22 LEU A 412 1.282 3.710 -5.779 1.00 45.53 H new ATOM 0 HD23 LEU A 412 2.753 3.802 -4.782 1.00 45.53 H new ATOM 293 N PRO A 413 3.926 7.723 -9.287 1.00 54.12 N ATOM 294 CA PRO A 413 3.370 8.850 -10.073 1.00 0.13 C ATOM 295 C PRO A 413 1.825 8.908 -10.080 1.00 11.13 C ATOM 296 O PRO A 413 1.184 7.992 -9.618 1.00 43.45 O ATOM 297 CB PRO A 413 3.919 8.559 -11.470 1.00 22.31 C ATOM 298 CG PRO A 413 4.015 7.096 -11.480 1.00 30.30 C ATOM 299 CD PRO A 413 4.638 6.792 -10.184 1.00 32.54 C ATOM 0 HA PRO A 413 3.651 9.819 -9.661 1.00 0.13 H new ATOM 0 HB2 PRO A 413 3.254 8.927 -12.251 1.00 22.31 H new ATOM 0 HB3 PRO A 413 4.889 9.030 -11.630 1.00 22.31 H new ATOM 0 HG2 PRO A 413 3.035 6.629 -11.575 1.00 30.30 H new ATOM 0 HG3 PRO A 413 4.621 6.738 -12.312 1.00 30.30 H new ATOM 0 HD2 PRO A 413 4.493 5.751 -9.894 1.00 32.54 H new ATOM 0 HD3 PRO A 413 5.713 6.973 -10.193 1.00 32.54 H new ATOM 307 N GLN A 414 1.274 10.035 -10.561 1.00 22.01 N ATOM 308 CA GLN A 414 -0.198 10.342 -10.552 1.00 53.15 C ATOM 309 C GLN A 414 -1.108 9.228 -11.207 1.00 64.14 C ATOM 310 O GLN A 414 -2.265 9.084 -10.797 1.00 24.21 O ATOM 311 CB GLN A 414 -0.406 11.760 -11.213 1.00 0.25 C ATOM 312 CG GLN A 414 -1.385 11.874 -12.417 1.00 5.12 C ATOM 313 CD GLN A 414 -1.218 13.201 -13.136 1.00 44.34 C ATOM 314 OE1 GLN A 414 -1.909 14.173 -12.837 1.00 40.34 O ATOM 315 NE2 GLN A 414 -0.255 13.274 -14.056 1.00 0.25 N ATOM 0 H GLN A 414 1.832 10.780 -10.977 1.00 22.01 H new ATOM 0 HA GLN A 414 -0.533 10.355 -9.515 1.00 53.15 H new ATOM 0 HB2 GLN A 414 -0.753 12.442 -10.436 1.00 0.25 H new ATOM 0 HB3 GLN A 414 0.569 12.120 -11.541 1.00 0.25 H new ATOM 0 HG2 GLN A 414 -1.206 11.055 -13.113 1.00 5.12 H new ATOM 0 HG3 GLN A 414 -2.412 11.775 -12.065 1.00 5.12 H new ATOM 0 HE21 GLN A 414 0.300 12.448 -14.280 1.00 0.25 H new ATOM 0 HE22 GLN A 414 -0.073 14.156 -14.535 1.00 0.25 H new ATOM 324 N GLU A 415 -0.603 8.443 -12.206 1.00 52.00 N ATOM 325 CA GLU A 415 -1.417 7.348 -12.821 1.00 32.43 C ATOM 326 C GLU A 415 -1.155 5.971 -12.131 1.00 62.22 C ATOM 327 O GLU A 415 -2.063 5.137 -12.098 1.00 53.51 O ATOM 328 CB GLU A 415 -1.197 7.291 -14.355 1.00 71.51 C ATOM 329 CG GLU A 415 -2.493 7.206 -15.215 1.00 55.32 C ATOM 330 CD GLU A 415 -2.202 7.250 -16.702 1.00 51.04 C ATOM 331 OE1 GLU A 415 -1.946 6.183 -17.298 1.00 54.34 O ATOM 332 OE2 GLU A 415 -2.253 8.356 -17.284 1.00 73.54 O ATOM 0 H GLU A 415 0.335 8.543 -12.593 1.00 52.00 H new ATOM 0 HA GLU A 415 -2.469 7.578 -12.653 1.00 32.43 H new ATOM 0 HB2 GLU A 415 -0.638 8.177 -14.658 1.00 71.51 H new ATOM 0 HB3 GLU A 415 -0.573 6.427 -14.583 1.00 71.51 H new ATOM 0 HG2 GLU A 415 -3.023 6.284 -14.978 1.00 55.32 H new ATOM 0 HG3 GLU A 415 -3.155 8.031 -14.952 1.00 55.32 H new ATOM 339 N PHE A 416 0.077 5.728 -11.598 1.00 4.12 N ATOM 340 CA PHE A 416 0.287 4.636 -10.568 1.00 0.33 C ATOM 341 C PHE A 416 -0.420 4.995 -9.214 1.00 63.35 C ATOM 342 O PHE A 416 -0.760 6.154 -8.970 1.00 44.02 O ATOM 343 CB PHE A 416 1.786 4.160 -10.361 1.00 63.44 C ATOM 344 CG PHE A 416 2.354 3.101 -11.320 1.00 4.01 C ATOM 345 CD1 PHE A 416 1.693 2.656 -12.465 1.00 15.20 C ATOM 346 CD2 PHE A 416 3.576 2.493 -10.998 1.00 71.43 C ATOM 347 CE1 PHE A 416 2.232 1.644 -13.253 1.00 22.14 C ATOM 348 CE2 PHE A 416 4.106 1.485 -11.772 1.00 21.34 C ATOM 349 CZ PHE A 416 3.439 1.069 -12.907 1.00 53.44 C ATOM 0 H PHE A 416 0.920 6.246 -11.845 1.00 4.12 H new ATOM 0 HA PHE A 416 -0.195 3.756 -10.993 1.00 0.33 H new ATOM 0 HB2 PHE A 416 2.426 5.040 -10.422 1.00 63.44 H new ATOM 0 HB3 PHE A 416 1.874 3.771 -9.347 1.00 63.44 H new ATOM 0 HD1 PHE A 416 0.750 3.103 -12.744 1.00 15.20 H new ATOM 0 HD2 PHE A 416 4.114 2.823 -10.122 1.00 71.43 H new ATOM 0 HE1 PHE A 416 1.707 1.308 -14.135 1.00 22.14 H new ATOM 0 HE2 PHE A 416 5.040 1.021 -11.492 1.00 21.34 H new ATOM 0 HZ PHE A 416 3.862 0.292 -13.526 1.00 53.44 H new ATOM 359 N GLY A 417 -0.670 3.999 -8.343 1.00 74.42 N ATOM 360 CA GLY A 417 -1.834 4.045 -7.416 1.00 31.23 C ATOM 361 C GLY A 417 -2.306 2.615 -7.046 1.00 14.22 C ATOM 362 O GLY A 417 -1.681 1.669 -7.504 1.00 40.42 O ATOM 0 H GLY A 417 -0.095 3.161 -8.256 1.00 74.42 H new ATOM 0 HA2 GLY A 417 -1.561 4.588 -6.511 1.00 31.23 H new ATOM 0 HA3 GLY A 417 -2.653 4.593 -7.882 1.00 31.23 H new ATOM 366 N ASP A 418 -3.404 2.418 -6.249 1.00 31.41 N ATOM 367 CA ASP A 418 -3.581 1.112 -5.540 1.00 72.02 C ATOM 368 C ASP A 418 -4.229 -0.023 -6.340 1.00 65.25 C ATOM 369 O ASP A 418 -3.685 -1.137 -6.321 1.00 11.20 O ATOM 370 CB ASP A 418 -4.236 1.184 -4.134 1.00 43.23 C ATOM 371 CG ASP A 418 -5.559 1.935 -4.084 1.00 14.22 C ATOM 372 OD1 ASP A 418 -5.541 3.182 -4.086 1.00 52.05 O ATOM 373 OD2 ASP A 418 -6.621 1.275 -4.034 1.00 73.32 O ATOM 0 H ASP A 418 -4.140 3.105 -6.088 1.00 31.41 H new ATOM 0 HA ASP A 418 -2.530 0.854 -5.409 1.00 72.02 H new ATOM 0 HB2 ASP A 418 -4.397 0.169 -3.771 1.00 43.23 H new ATOM 0 HB3 ASP A 418 -3.537 1.661 -3.447 1.00 43.23 H new ATOM 378 N GLN A 419 -5.385 0.213 -7.020 1.00 71.41 N ATOM 379 CA GLN A 419 -6.014 -0.827 -7.835 1.00 11.33 C ATOM 380 C GLN A 419 -5.091 -1.152 -9.077 1.00 40.31 C ATOM 381 O GLN A 419 -5.228 -2.226 -9.678 1.00 54.14 O ATOM 382 CB GLN A 419 -7.497 -0.488 -8.235 1.00 51.02 C ATOM 383 CG GLN A 419 -7.689 0.855 -8.941 1.00 31.43 C ATOM 384 CD GLN A 419 -7.513 0.781 -10.455 1.00 63.13 C ATOM 385 OE1 GLN A 419 -7.952 -0.316 -11.074 1.00 14.12 O flip ATOM 386 NE2 GLN A 419 -7.022 1.728 -11.066 1.00 60.31 N flip ATOM 0 H GLN A 419 -5.882 1.104 -7.012 1.00 71.41 H new ATOM 0 HA GLN A 419 -6.103 -1.730 -7.230 1.00 11.33 H new ATOM 0 HB2 GLN A 419 -7.871 -1.279 -8.885 1.00 51.02 H new ATOM 0 HB3 GLN A 419 -8.111 -0.498 -7.334 1.00 51.02 H new ATOM 0 HG2 GLN A 419 -8.686 1.234 -8.718 1.00 31.43 H new ATOM 0 HG3 GLN A 419 -6.977 1.574 -8.536 1.00 31.43 H new ATOM 0 HE21 GLN A 419 -6.697 2.550 -10.557 1.00 60.31 H new ATOM 0 HE22 GLN A 419 -6.939 1.692 -12.082 1.00 60.31 H new ATOM 395 N ASP A 420 -4.122 -0.222 -9.437 1.00 60.14 N ATOM 396 CA ASP A 420 -3.245 -0.400 -10.603 1.00 20.11 C ATOM 397 C ASP A 420 -1.884 -1.090 -10.239 1.00 70.14 C ATOM 398 O ASP A 420 -1.122 -1.500 -11.123 1.00 55.01 O ATOM 399 CB ASP A 420 -3.097 0.948 -11.383 1.00 75.22 C ATOM 400 CG ASP A 420 -1.665 1.387 -11.661 1.00 24.24 C ATOM 401 OD1 ASP A 420 -1.003 1.862 -10.724 1.00 22.25 O ATOM 402 OD2 ASP A 420 -1.225 1.263 -12.829 1.00 31.22 O ATOM 0 H ASP A 420 -3.954 0.642 -8.921 1.00 60.14 H new ATOM 0 HA ASP A 420 -3.719 -1.104 -11.286 1.00 20.11 H new ATOM 0 HB2 ASP A 420 -3.623 0.858 -12.334 1.00 75.22 H new ATOM 0 HB3 ASP A 420 -3.596 1.733 -10.816 1.00 75.22 H new ATOM 407 N ILE A 421 -1.576 -1.197 -8.933 1.00 10.22 N ATOM 408 CA ILE A 421 -0.314 -1.831 -8.441 1.00 54.11 C ATOM 409 C ILE A 421 -0.309 -3.347 -8.808 1.00 54.40 C ATOM 410 O ILE A 421 0.700 -3.885 -9.288 1.00 11.53 O ATOM 411 CB ILE A 421 -0.124 -1.554 -6.876 1.00 2.54 C ATOM 412 CG1 ILE A 421 0.827 -0.326 -6.613 1.00 0.12 C ATOM 413 CG2 ILE A 421 0.374 -2.787 -6.080 1.00 43.22 C ATOM 414 CD1 ILE A 421 0.646 0.319 -5.233 1.00 63.52 C ATOM 0 H ILE A 421 -2.181 -0.854 -8.187 1.00 10.22 H new ATOM 0 HA ILE A 421 0.548 -1.383 -8.935 1.00 54.11 H new ATOM 0 HB ILE A 421 -1.123 -1.320 -6.508 1.00 2.54 H new ATOM 0 HG12 ILE A 421 1.862 -0.652 -6.717 1.00 0.12 H new ATOM 0 HG13 ILE A 421 0.651 0.428 -7.381 1.00 0.12 H new ATOM 0 HG21 ILE A 421 0.479 -2.523 -5.028 1.00 43.22 H new ATOM 0 HG22 ILE A 421 -0.346 -3.600 -6.180 1.00 43.22 H new ATOM 0 HG23 ILE A 421 1.339 -3.107 -6.472 1.00 43.22 H new ATOM 0 HD11 ILE A 421 1.336 1.156 -5.129 1.00 63.52 H new ATOM 0 HD12 ILE A 421 -0.378 0.678 -5.131 1.00 63.52 H new ATOM 0 HD13 ILE A 421 0.851 -0.418 -4.457 1.00 63.52 H new ATOM 426 N LEU A 422 -1.466 -3.988 -8.591 1.00 24.11 N ATOM 427 CA LEU A 422 -1.813 -5.328 -9.055 1.00 72.42 C ATOM 428 C LEU A 422 -1.664 -5.480 -10.631 1.00 33.22 C ATOM 429 O LEU A 422 -1.568 -6.609 -11.104 1.00 31.15 O ATOM 430 CB LEU A 422 -3.300 -5.742 -8.621 1.00 60.44 C ATOM 431 CG LEU A 422 -3.971 -5.171 -7.299 1.00 31.55 C ATOM 432 CD1 LEU A 422 -5.355 -5.809 -7.128 1.00 4.32 C ATOM 433 CD2 LEU A 422 -3.160 -5.406 -6.013 1.00 74.15 C ATOM 0 H LEU A 422 -2.222 -3.558 -8.058 1.00 24.11 H new ATOM 0 HA LEU A 422 -1.102 -6.001 -8.575 1.00 72.42 H new ATOM 0 HB2 LEU A 422 -3.957 -5.476 -9.449 1.00 60.44 H new ATOM 0 HB3 LEU A 422 -3.314 -6.829 -8.539 1.00 60.44 H new ATOM 0 HG LEU A 422 -4.026 -4.091 -7.433 1.00 31.55 H new ATOM 0 HD11 LEU A 422 -5.824 -5.423 -6.223 1.00 4.32 H new ATOM 0 HD12 LEU A 422 -5.976 -5.567 -7.990 1.00 4.32 H new ATOM 0 HD13 LEU A 422 -5.250 -6.891 -7.049 1.00 4.32 H new ATOM 0 HD21 LEU A 422 -3.695 -4.983 -5.163 1.00 74.15 H new ATOM 0 HD22 LEU A 422 -3.023 -6.476 -5.859 1.00 74.15 H new ATOM 0 HD23 LEU A 422 -2.186 -4.925 -6.104 1.00 74.15 H new ATOM 445 N GLN A 423 -1.631 -4.356 -11.446 1.00 44.22 N ATOM 446 CA GLN A 423 -1.775 -4.430 -12.902 1.00 53.52 C ATOM 447 C GLN A 423 -0.408 -4.578 -13.606 1.00 51.33 C ATOM 448 O GLN A 423 -0.186 -5.542 -14.356 1.00 53.23 O ATOM 449 CB GLN A 423 -2.524 -3.197 -13.465 1.00 53.41 C ATOM 450 CG GLN A 423 -4.044 -3.378 -13.665 1.00 55.23 C ATOM 451 CD GLN A 423 -4.759 -2.053 -13.862 1.00 33.21 C ATOM 452 OE1 GLN A 423 -5.312 -1.489 -12.925 1.00 72.13 O ATOM 453 NE2 GLN A 423 -4.707 -1.521 -15.070 1.00 24.42 N ATOM 0 H GLN A 423 -1.505 -3.408 -11.091 1.00 44.22 H new ATOM 0 HA GLN A 423 -2.368 -5.321 -13.109 1.00 53.52 H new ATOM 0 HB2 GLN A 423 -2.361 -2.356 -12.791 1.00 53.41 H new ATOM 0 HB3 GLN A 423 -2.078 -2.929 -14.423 1.00 53.41 H new ATOM 0 HG2 GLN A 423 -4.221 -4.017 -14.530 1.00 55.23 H new ATOM 0 HG3 GLN A 423 -4.464 -3.890 -12.799 1.00 55.23 H new ATOM 0 HE21 GLN A 423 -4.238 -2.019 -15.827 1.00 24.42 H new ATOM 0 HE22 GLN A 423 -5.136 -0.612 -15.246 1.00 24.42 H new ATOM 462 N MET A 424 0.512 -3.624 -13.347 1.00 71.44 N ATOM 463 CA MET A 424 1.786 -3.536 -14.095 1.00 73.12 C ATOM 464 C MET A 424 2.909 -4.479 -13.615 1.00 42.44 C ATOM 465 O MET A 424 3.848 -4.717 -14.378 1.00 73.04 O ATOM 466 CB MET A 424 2.307 -2.091 -14.125 1.00 1.12 C ATOM 467 CG MET A 424 2.120 -1.371 -15.461 1.00 31.11 C ATOM 468 SD MET A 424 3.151 -2.058 -16.778 1.00 11.50 S ATOM 469 CE MET A 424 4.790 -1.578 -16.229 1.00 31.00 C ATOM 0 H MET A 424 0.398 -2.908 -12.630 1.00 71.44 H new ATOM 0 HA MET A 424 1.527 -3.876 -15.098 1.00 73.12 H new ATOM 0 HB2 MET A 424 1.800 -1.521 -13.347 1.00 1.12 H new ATOM 0 HB3 MET A 424 3.368 -2.097 -13.877 1.00 1.12 H new ATOM 0 HG2 MET A 424 1.073 -1.431 -15.757 1.00 31.11 H new ATOM 0 HG3 MET A 424 2.356 -0.314 -15.335 1.00 31.11 H new ATOM 0 HE1 MET A 424 5.490 -1.657 -17.061 1.00 31.00 H new ATOM 0 HE2 MET A 424 4.767 -0.549 -15.870 1.00 31.00 H new ATOM 0 HE3 MET A 424 5.111 -2.236 -15.422 1.00 31.00 H new ATOM 479 N PHE A 425 2.851 -5.031 -12.384 1.00 64.33 N ATOM 480 CA PHE A 425 3.951 -5.863 -11.879 1.00 51.31 C ATOM 481 C PHE A 425 3.694 -7.366 -12.127 1.00 33.54 C ATOM 482 O PHE A 425 4.516 -8.205 -11.757 1.00 42.35 O ATOM 483 CB PHE A 425 4.241 -5.592 -10.383 1.00 5.34 C ATOM 484 CG PHE A 425 5.563 -4.930 -10.090 1.00 35.54 C ATOM 485 CD1 PHE A 425 5.737 -3.574 -10.324 1.00 1.32 C ATOM 486 CD2 PHE A 425 6.631 -5.659 -9.580 1.00 41.01 C ATOM 487 CE1 PHE A 425 6.938 -2.967 -10.060 1.00 30.41 C ATOM 488 CE2 PHE A 425 7.835 -5.052 -9.309 1.00 13.15 C ATOM 489 CZ PHE A 425 7.996 -3.698 -9.553 1.00 23.11 C ATOM 0 H PHE A 425 2.070 -4.916 -11.738 1.00 64.33 H new ATOM 0 HA PHE A 425 4.840 -5.581 -12.443 1.00 51.31 H new ATOM 0 HB2 PHE A 425 3.444 -4.965 -9.984 1.00 5.34 H new ATOM 0 HB3 PHE A 425 4.201 -6.539 -9.845 1.00 5.34 H new ATOM 0 HD1 PHE A 425 4.918 -2.990 -10.718 1.00 1.32 H new ATOM 0 HD2 PHE A 425 6.514 -6.716 -9.394 1.00 41.01 H new ATOM 0 HE1 PHE A 425 7.058 -1.911 -10.250 1.00 30.41 H new ATOM 0 HE2 PHE A 425 8.654 -5.630 -8.907 1.00 13.15 H new ATOM 0 HZ PHE A 425 8.941 -3.217 -9.349 1.00 23.11 H new ATOM 499 N MET A 426 2.562 -7.688 -12.786 1.00 21.32 N ATOM 500 CA MET A 426 1.956 -9.017 -12.762 1.00 1.02 C ATOM 501 C MET A 426 2.702 -10.080 -13.641 1.00 45.15 C ATOM 502 O MET A 426 2.794 -11.226 -13.218 1.00 3.13 O ATOM 503 CB MET A 426 0.501 -8.951 -13.218 1.00 2.31 C ATOM 504 CG MET A 426 -0.471 -9.509 -12.193 1.00 75.32 C ATOM 505 SD MET A 426 -0.101 -11.179 -11.634 1.00 34.43 S ATOM 506 CE MET A 426 -1.400 -11.327 -10.423 1.00 12.12 C ATOM 0 H MET A 426 2.044 -7.018 -13.354 1.00 21.32 H new ATOM 0 HA MET A 426 2.030 -9.343 -11.725 1.00 1.02 H new ATOM 0 HB2 MET A 426 0.240 -7.914 -13.431 1.00 2.31 H new ATOM 0 HB3 MET A 426 0.393 -9.505 -14.151 1.00 2.31 H new ATOM 0 HG2 MET A 426 -0.485 -8.846 -11.328 1.00 75.32 H new ATOM 0 HG3 MET A 426 -1.474 -9.498 -12.620 1.00 75.32 H new ATOM 0 HE1 MET A 426 -1.023 -11.857 -9.548 1.00 12.12 H new ATOM 0 HE2 MET A 426 -1.737 -10.333 -10.128 1.00 12.12 H new ATOM 0 HE3 MET A 426 -2.235 -11.881 -10.851 1.00 12.12 H new ATOM 516 N PRO A 427 3.182 -9.766 -14.912 1.00 70.21 N ATOM 517 CA PRO A 427 3.872 -10.779 -15.738 1.00 4.00 C ATOM 518 C PRO A 427 5.267 -11.180 -15.249 1.00 72.14 C ATOM 519 O PRO A 427 5.763 -12.247 -15.622 1.00 31.53 O ATOM 520 CB PRO A 427 3.954 -10.150 -17.135 1.00 24.55 C ATOM 521 CG PRO A 427 3.728 -8.691 -16.969 1.00 63.20 C ATOM 522 CD PRO A 427 3.017 -8.492 -15.665 1.00 52.13 C ATOM 0 HA PRO A 427 3.314 -11.714 -15.702 1.00 4.00 H new ATOM 0 HB2 PRO A 427 4.927 -10.340 -17.587 1.00 24.55 H new ATOM 0 HB3 PRO A 427 3.205 -10.583 -17.798 1.00 24.55 H new ATOM 0 HG2 PRO A 427 4.676 -8.153 -16.975 1.00 63.20 H new ATOM 0 HG3 PRO A 427 3.133 -8.299 -17.794 1.00 63.20 H new ATOM 0 HD2 PRO A 427 3.442 -7.654 -15.112 1.00 52.13 H new ATOM 0 HD3 PRO A 427 1.963 -8.267 -15.825 1.00 52.13 H new ATOM 530 N PHE A 428 5.910 -10.323 -14.439 1.00 62.13 N ATOM 531 CA PHE A 428 7.135 -10.705 -13.727 1.00 42.24 C ATOM 532 C PHE A 428 6.867 -11.632 -12.476 1.00 64.41 C ATOM 533 O PHE A 428 7.813 -11.896 -11.726 1.00 2.21 O ATOM 534 CB PHE A 428 7.995 -9.446 -13.286 1.00 3.02 C ATOM 535 CG PHE A 428 8.581 -8.555 -14.376 1.00 74.02 C ATOM 536 CD1 PHE A 428 9.298 -9.092 -15.436 1.00 55.12 C ATOM 537 CD2 PHE A 428 8.454 -7.156 -14.315 1.00 33.21 C ATOM 538 CE1 PHE A 428 9.858 -8.277 -16.400 1.00 13.44 C ATOM 539 CE2 PHE A 428 9.020 -6.344 -15.287 1.00 32.04 C ATOM 540 CZ PHE A 428 9.713 -6.909 -16.328 1.00 61.23 C ATOM 0 H PHE A 428 5.602 -9.367 -14.263 1.00 62.13 H new ATOM 0 HA PHE A 428 7.708 -11.284 -14.451 1.00 42.24 H new ATOM 0 HB2 PHE A 428 7.369 -8.823 -12.647 1.00 3.02 H new ATOM 0 HB3 PHE A 428 8.820 -9.805 -12.671 1.00 3.02 H new ATOM 0 HD1 PHE A 428 9.420 -10.163 -15.508 1.00 55.12 H new ATOM 0 HD2 PHE A 428 7.907 -6.707 -13.499 1.00 33.21 H new ATOM 0 HE1 PHE A 428 10.413 -8.715 -17.216 1.00 13.44 H new ATOM 0 HE2 PHE A 428 8.916 -5.271 -15.225 1.00 32.04 H new ATOM 0 HZ PHE A 428 10.145 -6.280 -17.092 1.00 61.23 H new ATOM 550 N GLY A 429 5.633 -12.203 -12.249 1.00 24.15 N ATOM 551 CA GLY A 429 5.414 -12.938 -10.973 1.00 43.21 C ATOM 552 C GLY A 429 4.045 -12.617 -10.230 1.00 20.43 C ATOM 553 O GLY A 429 3.490 -11.544 -10.442 1.00 24.13 O ATOM 0 H GLY A 429 4.837 -12.169 -12.886 1.00 24.15 H new ATOM 0 HA2 GLY A 429 5.455 -14.008 -11.177 1.00 43.21 H new ATOM 0 HA3 GLY A 429 6.238 -12.711 -10.296 1.00 43.21 H new ATOM 557 N ASN A 430 3.529 -13.530 -9.311 1.00 21.00 N ATOM 558 CA ASN A 430 2.129 -13.440 -8.697 1.00 15.02 C ATOM 559 C ASN A 430 1.945 -12.344 -7.554 1.00 2.53 C ATOM 560 O ASN A 430 2.877 -12.105 -6.777 1.00 73.42 O ATOM 561 CB ASN A 430 1.773 -14.873 -8.192 1.00 11.31 C ATOM 562 CG ASN A 430 0.395 -15.074 -7.542 1.00 74.01 C ATOM 563 OD1 ASN A 430 -0.534 -14.307 -7.736 1.00 23.45 O ATOM 564 ND2 ASN A 430 0.247 -16.195 -6.836 1.00 2.50 N ATOM 0 H ASN A 430 4.061 -14.335 -8.980 1.00 21.00 H new ATOM 0 HA ASN A 430 1.442 -13.091 -9.468 1.00 15.02 H new ATOM 0 HB2 ASN A 430 1.849 -15.556 -9.038 1.00 11.31 H new ATOM 0 HB3 ASN A 430 2.532 -15.174 -7.470 1.00 11.31 H new ATOM 0 HD21 ASN A 430 -0.663 -16.432 -6.440 1.00 2.50 H new ATOM 0 HD22 ASN A 430 1.043 -16.816 -6.692 1.00 2.50 H new ATOM 571 N VAL A 431 0.720 -11.679 -7.467 1.00 4.03 N ATOM 572 CA VAL A 431 0.367 -10.706 -6.369 1.00 45.44 C ATOM 573 C VAL A 431 -0.136 -11.503 -5.109 1.00 0.12 C ATOM 574 O VAL A 431 -0.751 -12.558 -5.291 1.00 1.22 O ATOM 575 CB VAL A 431 -0.769 -9.635 -6.742 1.00 32.41 C ATOM 576 CG1 VAL A 431 -0.462 -8.845 -8.018 1.00 53.15 C ATOM 577 CG2 VAL A 431 -2.216 -10.185 -6.813 1.00 12.42 C ATOM 0 H VAL A 431 -0.028 -11.808 -8.148 1.00 4.03 H new ATOM 0 HA VAL A 431 1.284 -10.146 -6.185 1.00 45.44 H new ATOM 0 HB VAL A 431 -0.735 -8.963 -5.884 1.00 32.41 H new ATOM 0 HG11 VAL A 431 -1.270 -8.139 -8.212 1.00 53.15 H new ATOM 0 HG12 VAL A 431 0.474 -8.300 -7.892 1.00 53.15 H new ATOM 0 HG13 VAL A 431 -0.371 -9.533 -8.859 1.00 53.15 H new ATOM 0 HG21 VAL A 431 -2.900 -9.377 -7.072 1.00 12.42 H new ATOM 0 HG22 VAL A 431 -2.272 -10.965 -7.572 1.00 12.42 H new ATOM 0 HG23 VAL A 431 -2.495 -10.600 -5.845 1.00 12.42 H new ATOM 587 N ILE A 432 0.144 -11.083 -3.837 1.00 51.52 N ATOM 588 CA ILE A 432 -0.661 -11.689 -2.684 1.00 54.00 C ATOM 589 C ILE A 432 -1.471 -10.604 -1.912 1.00 33.44 C ATOM 590 O ILE A 432 -2.680 -10.783 -1.725 1.00 31.22 O ATOM 591 CB ILE A 432 0.077 -12.737 -1.680 1.00 14.05 C ATOM 592 CG1 ILE A 432 1.201 -13.568 -2.385 1.00 41.51 C ATOM 593 CG2 ILE A 432 -0.917 -13.777 -1.078 1.00 71.42 C ATOM 594 CD1 ILE A 432 1.773 -14.771 -1.576 1.00 54.50 C ATOM 0 H ILE A 432 0.849 -10.393 -3.578 1.00 51.52 H new ATOM 0 HA ILE A 432 -1.342 -12.353 -3.216 1.00 54.00 H new ATOM 0 HB ILE A 432 0.503 -12.104 -0.902 1.00 14.05 H new ATOM 0 HG12 ILE A 432 0.808 -13.945 -3.329 1.00 41.51 H new ATOM 0 HG13 ILE A 432 2.024 -12.896 -2.628 1.00 41.51 H new ATOM 0 HG21 ILE A 432 -0.378 -14.454 -0.415 1.00 71.42 H new ATOM 0 HG22 ILE A 432 -1.691 -13.256 -0.514 1.00 71.42 H new ATOM 0 HG23 ILE A 432 -1.378 -14.348 -1.884 1.00 71.42 H new ATOM 0 HD11 ILE A 432 2.543 -15.271 -2.163 1.00 54.50 H new ATOM 0 HD12 ILE A 432 2.205 -14.409 -0.643 1.00 54.50 H new ATOM 0 HD13 ILE A 432 0.971 -15.475 -1.355 1.00 54.50 H new ATOM 606 N SER A 433 -0.837 -9.473 -1.455 1.00 71.13 N ATOM 607 CA SER A 433 -1.614 -8.378 -0.701 1.00 74.12 C ATOM 608 C SER A 433 -1.021 -6.907 -0.879 1.00 24.03 C ATOM 609 O SER A 433 0.209 -6.780 -0.817 1.00 4.12 O ATOM 610 CB SER A 433 -1.644 -8.706 0.835 1.00 5.00 C ATOM 611 OG SER A 433 -2.242 -9.965 1.077 1.00 75.53 O ATOM 0 H SER A 433 0.158 -9.283 -1.577 1.00 71.13 H new ATOM 0 HA SER A 433 -2.612 -8.380 -1.139 1.00 74.12 H new ATOM 0 HB2 SER A 433 -0.628 -8.701 1.231 1.00 5.00 H new ATOM 0 HB3 SER A 433 -2.197 -7.930 1.365 1.00 5.00 H new ATOM 0 HG SER A 433 -2.809 -9.910 1.874 1.00 75.53 H new ATOM 617 N ALA A 434 -1.854 -5.779 -1.114 1.00 23.41 N ATOM 618 CA ALA A 434 -1.301 -4.358 -0.955 1.00 72.22 C ATOM 619 C ALA A 434 -2.302 -3.290 -0.545 1.00 51.42 C ATOM 620 O ALA A 434 -3.506 -3.380 -0.804 1.00 60.31 O ATOM 621 CB ALA A 434 -0.621 -3.840 -2.217 1.00 45.41 C ATOM 0 H ALA A 434 -2.834 -5.831 -1.392 1.00 23.41 H new ATOM 0 HA ALA A 434 -0.594 -4.501 -0.138 1.00 72.22 H new ATOM 0 HB1 ALA A 434 -0.250 -2.830 -2.042 1.00 45.41 H new ATOM 0 HB2 ALA A 434 0.213 -4.493 -2.475 1.00 45.41 H new ATOM 0 HB3 ALA A 434 -1.339 -3.826 -3.037 1.00 45.41 H new ATOM 627 N LYS A 435 -1.724 -2.269 0.140 1.00 33.32 N ATOM 628 CA LYS A 435 -2.393 -1.008 0.484 1.00 21.25 C ATOM 629 C LYS A 435 -1.367 0.154 0.513 1.00 22.04 C ATOM 630 O LYS A 435 -0.241 -0.045 0.989 1.00 3.31 O ATOM 631 CB LYS A 435 -3.074 -1.120 1.853 1.00 43.41 C ATOM 632 CG LYS A 435 -2.343 -2.001 2.871 1.00 11.21 C ATOM 633 CD LYS A 435 -2.940 -1.866 4.270 1.00 72.53 C ATOM 634 CE LYS A 435 -2.804 -0.442 4.846 1.00 3.25 C ATOM 635 NZ LYS A 435 -1.384 0.013 4.883 1.00 63.20 N ATOM 0 H LYS A 435 -0.760 -2.310 0.471 1.00 33.32 H new ATOM 0 HA LYS A 435 -3.148 -0.804 -0.275 1.00 21.25 H new ATOM 0 HB2 LYS A 435 -3.181 -0.119 2.272 1.00 43.41 H new ATOM 0 HB3 LYS A 435 -4.080 -1.514 1.710 1.00 43.41 H new ATOM 0 HG2 LYS A 435 -2.394 -3.042 2.553 1.00 11.21 H new ATOM 0 HG3 LYS A 435 -1.288 -1.727 2.898 1.00 11.21 H new ATOM 0 HD2 LYS A 435 -3.994 -2.140 4.237 1.00 72.53 H new ATOM 0 HD3 LYS A 435 -2.448 -2.572 4.939 1.00 72.53 H new ATOM 0 HE2 LYS A 435 -3.391 0.251 4.243 1.00 3.25 H new ATOM 0 HE3 LYS A 435 -3.219 -0.417 5.854 1.00 3.25 H new ATOM 0 HZ1 LYS A 435 -1.317 0.897 5.427 1.00 63.20 H new ATOM 0 HZ2 LYS A 435 -0.797 -0.717 5.334 1.00 63.20 H new ATOM 0 HZ3 LYS A 435 -1.047 0.178 3.913 1.00 63.20 H new ATOM 649 N VAL A 436 -1.737 1.371 0.030 1.00 52.42 N ATOM 650 CA VAL A 436 -0.834 2.533 0.126 1.00 50.02 C ATOM 651 C VAL A 436 -1.156 3.306 1.403 1.00 4.52 C ATOM 652 O VAL A 436 -2.285 3.798 1.532 1.00 72.14 O ATOM 653 CB VAL A 436 -0.927 3.539 -1.109 1.00 43.42 C ATOM 654 CG1 VAL A 436 0.443 3.792 -1.711 1.00 1.53 C ATOM 655 CG2 VAL A 436 -1.894 3.122 -2.224 1.00 2.41 C ATOM 0 H VAL A 436 -2.633 1.563 -0.418 1.00 52.42 H new ATOM 0 HA VAL A 436 0.180 2.132 0.129 1.00 50.02 H new ATOM 0 HB VAL A 436 -1.337 4.451 -0.675 1.00 43.42 H new ATOM 0 HG11 VAL A 436 0.350 4.481 -2.551 1.00 1.53 H new ATOM 0 HG12 VAL A 436 1.098 4.227 -0.956 1.00 1.53 H new ATOM 0 HG13 VAL A 436 0.867 2.850 -2.060 1.00 1.53 H new ATOM 0 HG21 VAL A 436 -1.883 3.872 -3.015 1.00 2.41 H new ATOM 0 HG22 VAL A 436 -1.585 2.160 -2.632 1.00 2.41 H new ATOM 0 HG23 VAL A 436 -2.902 3.037 -1.818 1.00 2.41 H new ATOM 665 N PHE A 437 -0.209 3.410 2.388 1.00 71.55 N ATOM 666 CA PHE A 437 -0.458 4.349 3.455 1.00 73.31 C ATOM 667 C PHE A 437 0.119 5.711 3.049 1.00 42.35 C ATOM 668 O PHE A 437 1.335 5.972 3.068 1.00 61.33 O ATOM 669 CB PHE A 437 0.001 3.872 4.873 1.00 64.11 C ATOM 670 CG PHE A 437 1.488 3.789 5.193 1.00 33.11 C ATOM 671 CD1 PHE A 437 2.279 2.730 4.747 1.00 63.55 C ATOM 672 CD2 PHE A 437 2.079 4.758 5.997 1.00 24.41 C ATOM 673 CE1 PHE A 437 3.623 2.660 5.088 1.00 71.05 C ATOM 674 CE2 PHE A 437 3.411 4.684 6.342 1.00 44.31 C ATOM 675 CZ PHE A 437 4.183 3.638 5.889 1.00 20.23 C ATOM 0 H PHE A 437 0.663 2.884 2.441 1.00 71.55 H new ATOM 0 HA PHE A 437 -1.537 4.436 3.581 1.00 73.31 H new ATOM 0 HB2 PHE A 437 -0.454 4.540 5.605 1.00 64.11 H new ATOM 0 HB3 PHE A 437 -0.424 2.882 5.038 1.00 64.11 H new ATOM 0 HD1 PHE A 437 1.842 1.958 4.131 1.00 63.55 H new ATOM 0 HD2 PHE A 437 1.483 5.583 6.357 1.00 24.41 H new ATOM 0 HE1 PHE A 437 4.230 1.843 4.728 1.00 71.05 H new ATOM 0 HE2 PHE A 437 3.850 5.447 6.968 1.00 44.31 H new ATOM 0 HZ PHE A 437 5.227 3.581 6.160 1.00 20.23 H new ATOM 846 N PHE A 448 4.199 5.760 0.994 1.00 5.03 N ATOM 847 CA PHE A 448 5.049 4.624 1.366 1.00 54.55 C ATOM 848 C PHE A 448 4.268 3.285 1.223 1.00 74.34 C ATOM 849 O PHE A 448 3.131 3.185 1.672 1.00 31.21 O ATOM 850 CB PHE A 448 5.608 4.881 2.798 1.00 43.43 C ATOM 851 CG PHE A 448 7.026 4.406 3.004 1.00 23.32 C ATOM 852 CD1 PHE A 448 7.309 3.097 3.393 1.00 54.23 C ATOM 853 CD2 PHE A 448 8.096 5.281 2.799 1.00 1.21 C ATOM 854 CE1 PHE A 448 8.616 2.680 3.559 1.00 21.24 C ATOM 855 CE2 PHE A 448 9.398 4.860 2.971 1.00 22.23 C ATOM 856 CZ PHE A 448 9.658 3.562 3.346 1.00 32.42 C ATOM 0 HA PHE A 448 5.900 4.531 0.691 1.00 54.55 H new ATOM 0 HB2 PHE A 448 5.561 5.950 3.008 1.00 43.43 H new ATOM 0 HB3 PHE A 448 4.962 4.385 3.522 1.00 43.43 H new ATOM 0 HD1 PHE A 448 6.500 2.403 3.566 1.00 54.23 H new ATOM 0 HD2 PHE A 448 7.901 6.301 2.502 1.00 1.21 H new ATOM 0 HE1 PHE A 448 8.823 1.663 3.856 1.00 21.24 H new ATOM 0 HE2 PHE A 448 10.214 5.549 2.811 1.00 22.23 H new ATOM 0 HZ PHE A 448 10.678 3.232 3.474 1.00 32.42 H new ATOM 866 N GLY A 449 4.880 2.289 0.547 1.00 53.53 N ATOM 867 CA GLY A 449 4.157 1.021 0.137 1.00 54.12 C ATOM 868 C GLY A 449 4.842 -0.326 0.555 1.00 40.25 C ATOM 869 O GLY A 449 5.966 -0.291 1.023 1.00 21.33 O ATOM 0 H GLY A 449 5.860 2.317 0.267 1.00 53.53 H new ATOM 0 HA2 GLY A 449 3.154 1.044 0.564 1.00 54.12 H new ATOM 0 HA3 GLY A 449 4.042 1.026 -0.947 1.00 54.12 H new ATOM 873 N PHE A 450 4.137 -1.514 0.397 1.00 33.44 N ATOM 874 CA PHE A 450 4.753 -2.899 0.628 1.00 2.14 C ATOM 875 C PHE A 450 4.005 -4.002 -0.234 1.00 63.22 C ATOM 876 O PHE A 450 2.826 -3.783 -0.517 1.00 31.22 O ATOM 877 CB PHE A 450 4.820 -3.241 2.177 1.00 54.33 C ATOM 878 CG PHE A 450 3.591 -3.839 2.854 1.00 73.32 C ATOM 879 CD1 PHE A 450 3.202 -5.167 2.647 1.00 74.42 C ATOM 880 CD2 PHE A 450 2.819 -3.074 3.727 1.00 41.42 C ATOM 881 CE1 PHE A 450 2.085 -5.681 3.258 1.00 52.11 C ATOM 882 CE2 PHE A 450 1.705 -3.604 4.343 1.00 22.35 C ATOM 883 CZ PHE A 450 1.337 -4.903 4.095 1.00 11.24 C ATOM 0 H PHE A 450 3.157 -1.546 0.115 1.00 33.44 H new ATOM 0 HA PHE A 450 5.785 -2.890 0.278 1.00 2.14 H new ATOM 0 HB2 PHE A 450 5.648 -3.934 2.326 1.00 54.33 H new ATOM 0 HB3 PHE A 450 5.074 -2.323 2.707 1.00 54.33 H new ATOM 0 HD1 PHE A 450 3.790 -5.798 1.996 1.00 74.42 H new ATOM 0 HD2 PHE A 450 3.098 -2.049 3.924 1.00 41.42 H new ATOM 0 HE1 PHE A 450 1.796 -6.706 3.076 1.00 52.11 H new ATOM 0 HE2 PHE A 450 1.122 -2.997 5.020 1.00 22.35 H new ATOM 0 HZ PHE A 450 0.453 -5.311 4.563 1.00 11.24 H new ATOM 893 N VAL A 451 4.643 -5.180 -0.676 1.00 41.15 N ATOM 894 CA VAL A 451 3.862 -6.215 -1.489 1.00 54.00 C ATOM 895 C VAL A 451 4.505 -7.664 -1.482 1.00 23.44 C ATOM 896 O VAL A 451 5.717 -7.797 -1.292 1.00 4.35 O ATOM 897 CB VAL A 451 3.489 -5.615 -2.949 1.00 3.11 C ATOM 898 CG1 VAL A 451 4.663 -4.982 -3.674 1.00 55.43 C ATOM 899 CG2 VAL A 451 2.838 -6.564 -3.968 1.00 50.04 C ATOM 0 H VAL A 451 5.619 -5.416 -0.496 1.00 41.15 H new ATOM 0 HA VAL A 451 2.913 -6.398 -0.985 1.00 54.00 H new ATOM 0 HB VAL A 451 2.744 -4.882 -2.640 1.00 3.11 H new ATOM 0 HG11 VAL A 451 4.332 -4.605 -4.642 1.00 55.43 H new ATOM 0 HG12 VAL A 451 5.057 -4.158 -3.079 1.00 55.43 H new ATOM 0 HG13 VAL A 451 5.444 -5.728 -3.823 1.00 55.43 H new ATOM 0 HG21 VAL A 451 2.646 -6.025 -4.896 1.00 50.04 H new ATOM 0 HG22 VAL A 451 3.508 -7.400 -4.166 1.00 50.04 H new ATOM 0 HG23 VAL A 451 1.897 -6.940 -3.566 1.00 50.04 H new ATOM 909 N SER A 452 3.659 -8.765 -1.663 1.00 34.43 N ATOM 910 CA SER A 452 4.042 -10.160 -1.402 1.00 73.34 C ATOM 911 C SER A 452 4.342 -10.895 -2.719 1.00 43.31 C ATOM 912 O SER A 452 3.444 -10.991 -3.558 1.00 1.33 O ATOM 913 CB SER A 452 2.846 -10.849 -0.682 1.00 44.20 C ATOM 914 OG SER A 452 2.771 -10.484 0.681 1.00 31.15 O ATOM 0 H SER A 452 2.699 -8.670 -1.995 1.00 34.43 H new ATOM 0 HA SER A 452 4.941 -10.191 -0.786 1.00 73.34 H new ATOM 0 HB2 SER A 452 1.916 -10.578 -1.182 1.00 44.20 H new ATOM 0 HB3 SER A 452 2.948 -11.931 -0.763 1.00 44.20 H new ATOM 0 HG SER A 452 2.008 -10.935 1.099 1.00 31.15 H new ATOM 920 N TYR A 453 5.590 -11.414 -2.916 1.00 35.13 N ATOM 921 CA TYR A 453 5.930 -12.124 -4.170 1.00 32.21 C ATOM 922 C TYR A 453 6.397 -13.574 -3.809 1.00 51.01 C ATOM 923 O TYR A 453 7.222 -13.678 -2.892 1.00 11.55 O ATOM 924 CB TYR A 453 7.025 -11.178 -4.806 1.00 30.52 C ATOM 925 CG TYR A 453 7.073 -10.830 -6.313 1.00 55.13 C ATOM 926 CD1 TYR A 453 6.021 -10.224 -6.985 1.00 53.11 C ATOM 927 CD2 TYR A 453 8.254 -10.953 -7.013 1.00 52.24 C ATOM 928 CE1 TYR A 453 6.168 -9.779 -8.299 1.00 24.12 C ATOM 929 CE2 TYR A 453 8.394 -10.458 -8.318 1.00 10.34 C ATOM 930 CZ TYR A 453 7.355 -9.900 -8.938 1.00 10.24 C ATOM 931 OH TYR A 453 7.516 -9.378 -10.193 1.00 63.11 O ATOM 0 H TYR A 453 6.351 -11.353 -2.240 1.00 35.13 H new ATOM 0 HA TYR A 453 5.123 -12.285 -4.885 1.00 32.21 H new ATOM 0 HB2 TYR A 453 6.960 -10.230 -4.273 1.00 30.52 H new ATOM 0 HB3 TYR A 453 7.992 -11.617 -4.560 1.00 30.52 H new ATOM 0 HD1 TYR A 453 5.074 -10.095 -6.483 1.00 53.11 H new ATOM 0 HD2 TYR A 453 9.094 -11.444 -6.544 1.00 52.24 H new ATOM 0 HE1 TYR A 453 5.327 -9.334 -8.811 1.00 24.12 H new ATOM 0 HE2 TYR A 453 9.347 -10.529 -8.822 1.00 10.34 H new ATOM 0 HH TYR A 453 8.428 -9.552 -10.505 1.00 63.11 H new ATOM 941 N ASP A 454 5.838 -14.676 -4.506 1.00 70.42 N ATOM 942 CA ASP A 454 6.062 -16.126 -4.132 1.00 41.22 C ATOM 943 C ASP A 454 7.453 -16.471 -3.566 1.00 42.14 C ATOM 944 O ASP A 454 7.586 -16.679 -2.360 1.00 42.54 O ATOM 945 CB ASP A 454 5.793 -17.084 -5.313 1.00 73.41 C ATOM 946 CG ASP A 454 4.411 -16.914 -5.926 1.00 11.42 C ATOM 947 OD1 ASP A 454 3.400 -16.995 -5.193 1.00 51.13 O ATOM 948 OD2 ASP A 454 4.342 -16.710 -7.157 1.00 51.21 O ATOM 0 H ASP A 454 5.236 -14.561 -5.322 1.00 70.42 H new ATOM 0 HA ASP A 454 5.339 -16.267 -3.329 1.00 41.22 H new ATOM 0 HB2 ASP A 454 6.547 -16.920 -6.083 1.00 73.41 H new ATOM 0 HB3 ASP A 454 5.906 -18.112 -4.970 1.00 73.41 H new ATOM 953 N ASN A 455 8.480 -16.539 -4.423 1.00 61.35 N ATOM 954 CA ASN A 455 9.786 -17.072 -4.003 1.00 24.52 C ATOM 955 C ASN A 455 10.963 -16.302 -4.623 1.00 35.32 C ATOM 956 O ASN A 455 10.889 -15.950 -5.800 1.00 33.45 O ATOM 957 CB ASN A 455 9.821 -18.555 -4.345 1.00 63.12 C ATOM 958 CG ASN A 455 10.737 -19.340 -3.425 1.00 31.14 C ATOM 959 OD1 ASN A 455 11.887 -19.629 -3.753 1.00 24.35 O ATOM 960 ND2 ASN A 455 10.225 -19.646 -2.238 1.00 0.03 N ATOM 0 H ASN A 455 8.436 -16.237 -5.396 1.00 61.35 H new ATOM 0 HA ASN A 455 9.902 -16.941 -2.927 1.00 24.52 H new ATOM 0 HB2 ASN A 455 8.812 -18.963 -4.283 1.00 63.12 H new ATOM 0 HB3 ASN A 455 10.153 -18.679 -5.376 1.00 63.12 H new ATOM 0 HD21 ASN A 455 10.792 -20.143 -1.551 1.00 0.03 H new ATOM 0 HD22 ASN A 455 9.265 -19.384 -2.014 1.00 0.03 H new ATOM 967 N PRO A 456 12.057 -16.007 -3.813 1.00 35.31 N ATOM 968 CA PRO A 456 13.278 -15.194 -4.180 1.00 73.11 C ATOM 969 C PRO A 456 13.919 -15.203 -5.616 1.00 30.21 C ATOM 970 O PRO A 456 14.781 -14.340 -5.841 1.00 23.50 O ATOM 971 CB PRO A 456 14.331 -15.635 -3.141 1.00 22.35 C ATOM 972 CG PRO A 456 13.652 -16.588 -2.217 1.00 74.33 C ATOM 973 CD PRO A 456 12.182 -16.328 -2.352 1.00 75.32 C ATOM 0 HA PRO A 456 12.927 -14.162 -4.183 1.00 73.11 H new ATOM 0 HB2 PRO A 456 15.181 -16.110 -3.630 1.00 22.35 H new ATOM 0 HB3 PRO A 456 14.718 -14.775 -2.594 1.00 22.35 H new ATOM 0 HG2 PRO A 456 13.890 -17.619 -2.478 1.00 74.33 H new ATOM 0 HG3 PRO A 456 13.981 -16.435 -1.189 1.00 74.33 H new ATOM 0 HD2 PRO A 456 11.586 -17.197 -2.072 1.00 75.32 H new ATOM 0 HD3 PRO A 456 11.854 -15.501 -1.723 1.00 75.32 H new ATOM 981 N VAL A 457 13.577 -16.102 -6.582 1.00 34.13 N ATOM 982 CA VAL A 457 14.161 -16.004 -7.937 1.00 21.22 C ATOM 983 C VAL A 457 13.481 -14.802 -8.694 1.00 72.45 C ATOM 984 O VAL A 457 14.028 -14.253 -9.651 1.00 25.13 O ATOM 985 CB VAL A 457 14.196 -17.397 -8.747 1.00 12.23 C ATOM 986 CG1 VAL A 457 12.846 -18.092 -8.843 1.00 14.01 C ATOM 987 CG2 VAL A 457 14.784 -17.291 -10.158 1.00 35.43 C ATOM 0 H VAL A 457 12.923 -16.874 -6.449 1.00 34.13 H new ATOM 0 HA VAL A 457 15.225 -15.783 -7.849 1.00 21.22 H new ATOM 0 HB VAL A 457 14.864 -18.003 -8.135 1.00 12.23 H new ATOM 0 HG11 VAL A 457 12.954 -19.021 -9.402 1.00 14.01 H new ATOM 0 HG12 VAL A 457 12.478 -18.312 -7.841 1.00 14.01 H new ATOM 0 HG13 VAL A 457 12.137 -17.441 -9.355 1.00 14.01 H new ATOM 0 HG21 VAL A 457 14.770 -18.272 -10.633 1.00 35.43 H new ATOM 0 HG22 VAL A 457 14.189 -16.594 -10.748 1.00 35.43 H new ATOM 0 HG23 VAL A 457 15.811 -16.931 -10.098 1.00 35.43 H new ATOM 997 N SER A 458 12.304 -14.349 -8.205 1.00 54.41 N ATOM 998 CA SER A 458 11.696 -13.120 -8.650 1.00 72.32 C ATOM 999 C SER A 458 12.149 -11.820 -7.817 1.00 41.33 C ATOM 1000 O SER A 458 11.862 -10.733 -8.323 1.00 13.25 O ATOM 1001 CB SER A 458 10.143 -13.329 -8.727 1.00 73.01 C ATOM 1002 OG SER A 458 9.634 -13.723 -7.466 1.00 61.45 O ATOM 0 H SER A 458 11.766 -14.841 -7.491 1.00 54.41 H new ATOM 0 HA SER A 458 12.065 -12.891 -9.650 1.00 72.32 H new ATOM 0 HB2 SER A 458 9.661 -12.406 -9.048 1.00 73.01 H new ATOM 0 HB3 SER A 458 9.908 -14.087 -9.474 1.00 73.01 H new ATOM 0 HG SER A 458 8.950 -13.084 -7.175 1.00 61.45 H new ATOM 1008 N ALA A 459 12.850 -11.887 -6.572 1.00 4.20 N ATOM 1009 CA ALA A 459 13.323 -10.628 -5.862 1.00 11.15 C ATOM 1010 C ALA A 459 14.245 -9.771 -6.750 1.00 71.32 C ATOM 1011 O ALA A 459 13.848 -8.709 -7.231 1.00 25.33 O ATOM 1012 CB ALA A 459 14.089 -10.933 -4.584 1.00 63.34 C ATOM 0 H ALA A 459 13.075 -12.756 -6.088 1.00 4.20 H new ATOM 0 HA ALA A 459 12.409 -10.083 -5.627 1.00 11.15 H new ATOM 0 HB1 ALA A 459 14.404 -10.000 -4.117 1.00 63.34 H new ATOM 0 HB2 ALA A 459 13.446 -11.484 -3.897 1.00 63.34 H new ATOM 0 HB3 ALA A 459 14.967 -11.534 -4.821 1.00 63.34 H new ATOM 1018 N GLN A 460 15.427 -10.336 -7.038 1.00 5.32 N ATOM 1019 CA GLN A 460 16.517 -9.679 -7.780 1.00 64.34 C ATOM 1020 C GLN A 460 16.227 -9.469 -9.292 1.00 61.24 C ATOM 1021 O GLN A 460 16.809 -8.546 -9.878 1.00 1.54 O ATOM 1022 CB GLN A 460 17.880 -10.414 -7.567 1.00 25.04 C ATOM 1023 CG GLN A 460 18.461 -10.367 -6.133 1.00 31.20 C ATOM 1024 CD GLN A 460 17.992 -11.503 -5.225 1.00 75.02 C ATOM 1025 OE1 GLN A 460 17.028 -11.374 -4.512 1.00 24.40 O ATOM 1026 NE2 GLN A 460 18.688 -12.619 -5.239 1.00 22.30 N ATOM 0 H GLN A 460 15.659 -11.288 -6.754 1.00 5.32 H new ATOM 0 HA GLN A 460 16.587 -8.678 -7.353 1.00 64.34 H new ATOM 0 HB2 GLN A 460 17.755 -11.458 -7.853 1.00 25.04 H new ATOM 0 HB3 GLN A 460 18.613 -9.982 -8.249 1.00 25.04 H new ATOM 0 HG2 GLN A 460 19.549 -10.392 -6.194 1.00 31.20 H new ATOM 0 HG3 GLN A 460 18.189 -9.416 -5.675 1.00 31.20 H new ATOM 0 HE21 GLN A 460 19.500 -12.706 -5.850 1.00 22.30 H new ATOM 0 HE22 GLN A 460 18.416 -13.397 -4.639 1.00 22.30 H new ATOM 1035 N ALA A 461 15.368 -10.301 -9.952 1.00 12.31 N ATOM 1036 CA ALA A 461 15.057 -10.048 -11.378 1.00 44.42 C ATOM 1037 C ALA A 461 14.122 -8.736 -11.681 1.00 24.33 C ATOM 1038 O ALA A 461 14.374 -8.095 -12.717 1.00 22.04 O ATOM 1039 CB ALA A 461 14.679 -11.393 -12.109 1.00 23.52 C ATOM 0 H ALA A 461 14.904 -11.110 -9.540 1.00 12.31 H new ATOM 0 HA ALA A 461 15.974 -9.707 -11.858 1.00 44.42 H new ATOM 0 HB1 ALA A 461 14.454 -11.187 -13.155 1.00 23.52 H new ATOM 0 HB2 ALA A 461 15.516 -12.088 -12.048 1.00 23.52 H new ATOM 0 HB3 ALA A 461 13.805 -11.834 -11.630 1.00 23.52 H new ATOM 1045 N ALA A 462 13.064 -8.311 -10.817 1.00 44.11 N ATOM 1046 CA ALA A 462 12.395 -6.906 -10.911 1.00 64.43 C ATOM 1047 C ALA A 462 13.080 -5.757 -10.099 1.00 74.00 C ATOM 1048 O ALA A 462 13.093 -4.634 -10.612 1.00 33.23 O ATOM 1049 CB ALA A 462 10.884 -6.920 -10.560 1.00 34.44 C ATOM 0 H ALA A 462 12.676 -8.900 -10.080 1.00 44.11 H new ATOM 0 HA ALA A 462 12.535 -6.675 -11.967 1.00 64.43 H new ATOM 0 HB1 ALA A 462 10.481 -5.911 -10.645 1.00 34.44 H new ATOM 0 HB2 ALA A 462 10.357 -7.581 -11.248 1.00 34.44 H new ATOM 0 HB3 ALA A 462 10.751 -7.279 -9.539 1.00 34.44 H new ATOM 1055 N ILE A 463 13.582 -6.015 -8.840 1.00 24.31 N ATOM 1056 CA ILE A 463 14.262 -5.010 -7.946 1.00 10.40 C ATOM 1057 C ILE A 463 15.256 -4.033 -8.716 1.00 21.11 C ATOM 1058 O ILE A 463 15.285 -2.840 -8.395 1.00 20.14 O ATOM 1059 CB ILE A 463 14.894 -5.715 -6.610 1.00 24.24 C ATOM 1060 CG1 ILE A 463 13.886 -5.768 -5.396 1.00 43.35 C ATOM 1061 CG2 ILE A 463 16.207 -5.086 -6.067 1.00 53.13 C ATOM 1062 CD1 ILE A 463 12.388 -6.009 -5.656 1.00 43.45 C ATOM 0 H ILE A 463 13.523 -6.940 -8.415 1.00 24.31 H new ATOM 0 HA ILE A 463 13.485 -4.337 -7.583 1.00 10.40 H new ATOM 0 HB ILE A 463 15.117 -6.713 -6.987 1.00 24.24 H new ATOM 0 HG12 ILE A 463 14.230 -6.553 -4.722 1.00 43.35 H new ATOM 0 HG13 ILE A 463 13.975 -4.824 -4.858 1.00 43.35 H new ATOM 0 HG21 ILE A 463 16.534 -5.633 -5.182 1.00 53.13 H new ATOM 0 HG22 ILE A 463 16.980 -5.140 -6.833 1.00 53.13 H new ATOM 0 HG23 ILE A 463 16.029 -4.043 -5.804 1.00 53.13 H new ATOM 0 HD11 ILE A 463 11.850 -6.014 -4.708 1.00 43.45 H new ATOM 0 HD12 ILE A 463 11.997 -5.214 -6.291 1.00 43.45 H new ATOM 0 HD13 ILE A 463 12.255 -6.970 -6.153 1.00 43.45 H new ATOM 1074 N GLN A 464 16.026 -4.502 -9.759 1.00 34.34 N ATOM 1075 CA GLN A 464 16.865 -3.595 -10.590 1.00 51.24 C ATOM 1076 C GLN A 464 16.212 -3.033 -11.935 1.00 12.21 C ATOM 1077 O GLN A 464 16.533 -1.889 -12.268 1.00 30.02 O ATOM 1078 CB GLN A 464 18.309 -4.180 -10.772 1.00 52.03 C ATOM 1079 CG GLN A 464 19.104 -4.292 -9.457 1.00 41.32 C ATOM 1080 CD GLN A 464 20.197 -5.336 -9.547 1.00 25.24 C ATOM 1081 OE1 GLN A 464 20.797 -5.553 -10.600 1.00 63.55 O ATOM 1082 NE2 GLN A 464 20.449 -6.013 -8.435 1.00 42.14 N ATOM 0 H GLN A 464 16.075 -5.484 -10.031 1.00 34.34 H new ATOM 0 HA GLN A 464 16.940 -2.677 -10.007 1.00 51.24 H new ATOM 0 HB2 GLN A 464 18.236 -5.168 -11.227 1.00 52.03 H new ATOM 0 HB3 GLN A 464 18.862 -3.549 -11.467 1.00 52.03 H new ATOM 0 HG2 GLN A 464 19.544 -3.325 -9.215 1.00 41.32 H new ATOM 0 HG3 GLN A 464 18.425 -4.546 -8.643 1.00 41.32 H new ATOM 0 HE21 GLN A 464 19.930 -5.804 -7.582 1.00 42.14 H new ATOM 0 HE22 GLN A 464 21.162 -6.743 -8.433 1.00 42.14 H new ATOM 1091 N ALA A 465 15.323 -3.769 -12.726 1.00 65.40 N ATOM 1092 CA ALA A 465 14.593 -3.129 -13.903 1.00 64.44 C ATOM 1093 C ALA A 465 13.694 -1.874 -13.570 1.00 64.55 C ATOM 1094 O ALA A 465 13.461 -1.065 -14.467 1.00 25.24 O ATOM 1095 CB ALA A 465 13.795 -4.146 -14.796 1.00 64.23 C ATOM 0 H ALA A 465 15.106 -4.755 -12.577 1.00 65.40 H new ATOM 0 HA ALA A 465 15.433 -2.747 -14.484 1.00 64.44 H new ATOM 0 HB1 ALA A 465 13.306 -3.610 -15.609 1.00 64.23 H new ATOM 0 HB2 ALA A 465 14.482 -4.884 -15.209 1.00 64.23 H new ATOM 0 HB3 ALA A 465 13.043 -4.650 -14.190 1.00 64.23 H new ATOM 1101 N MET A 466 13.231 -1.673 -12.314 1.00 52.34 N ATOM 1102 CA MET A 466 12.339 -0.521 -11.961 1.00 34.43 C ATOM 1103 C MET A 466 13.065 0.532 -11.042 1.00 13.13 C ATOM 1104 O MET A 466 12.421 1.435 -10.509 1.00 20.15 O ATOM 1105 CB MET A 466 11.027 -1.059 -11.286 1.00 53.54 C ATOM 1106 CG MET A 466 9.729 -0.201 -11.451 1.00 33.54 C ATOM 1107 SD MET A 466 8.579 -0.844 -12.691 1.00 41.14 S ATOM 1108 CE MET A 466 9.459 -0.543 -14.216 1.00 44.12 C ATOM 0 H MET A 466 13.453 -2.283 -11.527 1.00 52.34 H new ATOM 0 HA MET A 466 12.078 0.002 -12.881 1.00 34.43 H new ATOM 0 HB2 MET A 466 10.826 -2.053 -11.685 1.00 53.54 H new ATOM 0 HB3 MET A 466 11.220 -1.176 -10.220 1.00 53.54 H new ATOM 0 HG2 MET A 466 9.218 -0.145 -10.490 1.00 33.54 H new ATOM 0 HG3 MET A 466 10.010 0.817 -11.723 1.00 33.54 H new ATOM 0 HE1 MET A 466 8.860 -0.893 -15.057 1.00 44.12 H new ATOM 0 HE2 MET A 466 9.646 0.525 -14.323 1.00 44.12 H new ATOM 0 HE3 MET A 466 10.409 -1.078 -14.200 1.00 44.12 H new ATOM 1118 N ASN A 467 14.411 0.426 -10.870 1.00 2.23 N ATOM 1119 CA ASN A 467 15.193 1.338 -9.999 1.00 22.24 C ATOM 1120 C ASN A 467 15.608 2.629 -10.775 1.00 53.23 C ATOM 1121 O ASN A 467 16.348 2.491 -11.754 1.00 34.43 O ATOM 1122 CB ASN A 467 16.491 0.618 -9.583 1.00 33.30 C ATOM 1123 CG ASN A 467 16.983 0.988 -8.174 1.00 2.51 C ATOM 1124 OD1 ASN A 467 16.203 1.257 -7.257 1.00 55.40 O ATOM 1125 ND2 ASN A 467 18.307 1.035 -8.015 1.00 23.41 N ATOM 0 H ASN A 467 14.977 -0.288 -11.328 1.00 2.23 H new ATOM 0 HA ASN A 467 14.580 1.608 -9.139 1.00 22.24 H new ATOM 0 HB2 ASN A 467 16.329 -0.459 -9.630 1.00 33.30 H new ATOM 0 HB3 ASN A 467 17.273 0.854 -10.304 1.00 33.30 H new ATOM 0 HD21 ASN A 467 18.703 1.300 -7.113 1.00 23.41 H new ATOM 0 HD22 ASN A 467 18.923 0.806 -8.795 1.00 23.41 H new ATOM 1132 N GLY A 468 15.173 3.865 -10.389 1.00 34.21 N ATOM 1133 CA GLY A 468 15.789 5.073 -10.978 1.00 20.41 C ATOM 1134 C GLY A 468 15.175 5.614 -12.289 1.00 51.33 C ATOM 1135 O GLY A 468 15.276 6.824 -12.536 1.00 10.03 O ATOM 0 H GLY A 468 14.435 4.039 -9.707 1.00 34.21 H new ATOM 0 HA2 GLY A 468 15.750 5.869 -10.234 1.00 20.41 H new ATOM 0 HA3 GLY A 468 16.842 4.859 -11.162 1.00 20.41 H new ATOM 1139 N PHE A 469 14.618 4.730 -13.141 1.00 1.25 N ATOM 1140 CA PHE A 469 13.743 5.087 -14.266 1.00 32.45 C ATOM 1141 C PHE A 469 12.569 5.939 -13.735 1.00 12.54 C ATOM 1142 O PHE A 469 11.691 5.411 -13.030 1.00 5.54 O ATOM 1143 CB PHE A 469 13.244 3.720 -14.910 1.00 43.54 C ATOM 1144 CG PHE A 469 12.416 3.797 -16.191 1.00 63.41 C ATOM 1145 CD1 PHE A 469 11.084 4.189 -16.157 1.00 4.03 C ATOM 1146 CD2 PHE A 469 12.951 3.422 -17.422 1.00 13.20 C ATOM 1147 CE1 PHE A 469 10.319 4.220 -17.288 1.00 11.15 C ATOM 1148 CE2 PHE A 469 12.173 3.457 -18.567 1.00 2.53 C ATOM 1149 CZ PHE A 469 10.854 3.855 -18.499 1.00 50.34 C ATOM 0 H PHE A 469 14.770 3.725 -13.060 1.00 1.25 H new ATOM 0 HA PHE A 469 14.257 5.679 -15.024 1.00 32.45 H new ATOM 0 HB2 PHE A 469 14.121 3.106 -15.115 1.00 43.54 H new ATOM 0 HB3 PHE A 469 12.654 3.193 -14.161 1.00 43.54 H new ATOM 0 HD1 PHE A 469 10.643 4.476 -15.214 1.00 4.03 H new ATOM 0 HD2 PHE A 469 13.981 3.102 -17.483 1.00 13.20 H new ATOM 0 HE1 PHE A 469 9.287 4.533 -17.230 1.00 11.15 H new ATOM 0 HE2 PHE A 469 12.601 3.172 -19.517 1.00 2.53 H new ATOM 0 HZ PHE A 469 10.246 3.879 -19.392 1.00 50.34 H new ATOM 1159 N GLN A 470 12.556 7.269 -14.033 1.00 44.22 N ATOM 1160 CA GLN A 470 11.458 8.108 -13.564 1.00 32.23 C ATOM 1161 C GLN A 470 10.229 7.930 -14.428 1.00 34.23 C ATOM 1162 O GLN A 470 10.323 7.768 -15.644 1.00 44.20 O ATOM 1163 CB GLN A 470 11.825 9.612 -13.466 1.00 24.11 C ATOM 1164 CG GLN A 470 13.095 10.076 -14.223 1.00 23.31 C ATOM 1165 CD GLN A 470 12.988 9.981 -15.746 1.00 42.02 C ATOM 1166 OE1 GLN A 470 11.808 10.242 -16.286 1.00 13.45 O flip ATOM 1167 NE2 GLN A 470 13.977 9.720 -16.423 1.00 20.24 N flip ATOM 0 H GLN A 470 13.272 7.752 -14.576 1.00 44.22 H new ATOM 0 HA GLN A 470 11.242 7.770 -12.551 1.00 32.23 H new ATOM 0 HB2 GLN A 470 10.979 10.192 -13.835 1.00 24.11 H new ATOM 0 HB3 GLN A 470 11.948 9.863 -12.412 1.00 24.11 H new ATOM 0 HG2 GLN A 470 13.310 11.109 -13.949 1.00 23.31 H new ATOM 0 HG3 GLN A 470 13.942 9.475 -13.891 1.00 23.31 H new ATOM 0 HE21 GLN A 470 14.869 9.524 -15.969 1.00 20.24 H new ATOM 0 HE22 GLN A 470 13.907 9.699 -17.440 1.00 20.24 H new ATOM 1176 N ILE A 471 9.078 7.896 -13.788 1.00 41.32 N ATOM 1177 CA ILE A 471 7.829 7.969 -14.520 1.00 32.32 C ATOM 1178 C ILE A 471 7.162 9.361 -14.238 1.00 75.01 C ATOM 1179 O ILE A 471 6.617 9.555 -13.145 1.00 73.55 O ATOM 1180 CB ILE A 471 6.889 6.754 -14.127 1.00 73.32 C ATOM 1181 CG1 ILE A 471 7.546 5.381 -14.534 1.00 64.40 C ATOM 1182 CG2 ILE A 471 5.499 6.922 -14.755 1.00 73.31 C ATOM 1183 CD1 ILE A 471 7.079 4.751 -15.859 1.00 53.52 C ATOM 0 H ILE A 471 8.980 7.819 -12.776 1.00 41.32 H new ATOM 0 HA ILE A 471 8.009 7.888 -15.592 1.00 32.32 H new ATOM 0 HB ILE A 471 6.766 6.749 -13.044 1.00 73.32 H new ATOM 0 HG12 ILE A 471 8.625 5.524 -14.588 1.00 64.40 H new ATOM 0 HG13 ILE A 471 7.359 4.665 -13.734 1.00 64.40 H new ATOM 0 HG21 ILE A 471 4.868 6.079 -14.474 1.00 73.31 H new ATOM 0 HG22 ILE A 471 5.048 7.848 -14.397 1.00 73.31 H new ATOM 0 HG23 ILE A 471 5.592 6.959 -15.840 1.00 73.31 H new ATOM 0 HD11 ILE A 471 7.607 3.811 -16.021 1.00 53.52 H new ATOM 0 HD12 ILE A 471 6.007 4.561 -15.814 1.00 53.52 H new ATOM 0 HD13 ILE A 471 7.292 5.434 -16.682 1.00 53.52 H new ATOM 1195 N GLY A 472 7.263 10.378 -15.166 1.00 41.45 N ATOM 1196 CA GLY A 472 6.560 11.642 -14.937 1.00 21.53 C ATOM 1197 C GLY A 472 7.420 12.632 -14.182 1.00 53.13 C ATOM 1198 O GLY A 472 8.588 12.830 -14.520 1.00 42.04 O ATOM 0 H GLY A 472 7.803 10.329 -16.030 1.00 41.45 H new ATOM 0 HA2 GLY A 472 6.264 12.072 -15.894 1.00 21.53 H new ATOM 0 HA3 GLY A 472 5.645 11.453 -14.376 1.00 21.53 H new ATOM 1202 N MET A 473 6.841 13.249 -13.156 1.00 41.33 N ATOM 1203 CA MET A 473 7.570 14.219 -12.319 1.00 70.34 C ATOM 1204 C MET A 473 8.085 13.594 -10.993 1.00 42.42 C ATOM 1205 O MET A 473 8.721 14.287 -10.195 1.00 65.22 O ATOM 1206 CB MET A 473 6.724 15.497 -12.032 1.00 51.53 C ATOM 1207 CG MET A 473 5.231 15.254 -11.827 1.00 60.23 C ATOM 1208 SD MET A 473 4.414 16.598 -10.946 1.00 50.53 S ATOM 1209 CE MET A 473 2.781 15.905 -10.686 1.00 12.25 C ATOM 0 H MET A 473 5.871 13.100 -12.878 1.00 41.33 H new ATOM 0 HA MET A 473 8.443 14.517 -12.900 1.00 70.34 H new ATOM 0 HB2 MET A 473 7.122 15.985 -11.142 1.00 51.53 H new ATOM 0 HB3 MET A 473 6.852 16.192 -12.861 1.00 51.53 H new ATOM 0 HG2 MET A 473 4.754 15.120 -12.798 1.00 60.23 H new ATOM 0 HG3 MET A 473 5.092 14.326 -11.272 1.00 60.23 H new ATOM 0 HE1 MET A 473 2.161 16.625 -10.151 1.00 12.25 H new ATOM 0 HE2 MET A 473 2.324 15.678 -11.649 1.00 12.25 H new ATOM 0 HE3 MET A 473 2.863 14.990 -10.099 1.00 12.25 H new ATOM 1219 N LYS A 474 7.834 12.284 -10.764 1.00 25.15 N ATOM 1220 CA LYS A 474 8.299 11.600 -9.518 1.00 12.45 C ATOM 1221 C LYS A 474 9.163 10.352 -9.869 1.00 73.50 C ATOM 1222 O LYS A 474 8.936 9.722 -10.908 1.00 62.51 O ATOM 1223 CB LYS A 474 7.086 11.190 -8.589 1.00 61.31 C ATOM 1224 CG LYS A 474 5.967 12.259 -8.442 1.00 55.55 C ATOM 1225 CD LYS A 474 5.401 12.413 -6.994 1.00 51.11 C ATOM 1226 CE LYS A 474 4.569 11.218 -6.491 1.00 31.31 C ATOM 1227 NZ LYS A 474 3.819 11.547 -5.239 1.00 13.15 N ATOM 0 H LYS A 474 7.322 11.682 -11.409 1.00 25.15 H new ATOM 0 HA LYS A 474 8.914 12.309 -8.964 1.00 12.45 H new ATOM 0 HB2 LYS A 474 6.642 10.276 -8.983 1.00 61.31 H new ATOM 0 HB3 LYS A 474 7.473 10.955 -7.597 1.00 61.31 H new ATOM 0 HG2 LYS A 474 6.358 13.222 -8.770 1.00 55.55 H new ATOM 0 HG3 LYS A 474 5.147 12.003 -9.113 1.00 55.55 H new ATOM 0 HD2 LYS A 474 6.234 12.571 -6.309 1.00 51.11 H new ATOM 0 HD3 LYS A 474 4.782 13.310 -6.955 1.00 51.11 H new ATOM 0 HE2 LYS A 474 3.866 10.914 -7.266 1.00 31.31 H new ATOM 0 HE3 LYS A 474 5.228 10.369 -6.307 1.00 31.31 H new ATOM 0 HZ1 LYS A 474 3.272 10.717 -4.934 1.00 13.15 H new ATOM 0 HZ2 LYS A 474 4.491 11.813 -4.491 1.00 13.15 H new ATOM 0 HZ3 LYS A 474 3.172 12.340 -5.420 1.00 13.15 H new ATOM 1241 N ARG A 475 10.175 9.997 -9.020 1.00 12.40 N ATOM 1242 CA ARG A 475 11.116 8.903 -9.359 1.00 74.30 C ATOM 1243 C ARG A 475 10.969 7.704 -8.404 1.00 10.50 C ATOM 1244 O ARG A 475 10.648 7.871 -7.223 1.00 15.24 O ATOM 1245 CB ARG A 475 12.595 9.415 -9.392 1.00 13.43 C ATOM 1246 CG ARG A 475 13.202 9.949 -8.059 1.00 3.33 C ATOM 1247 CD ARG A 475 12.971 11.456 -7.781 1.00 54.42 C ATOM 1248 NE ARG A 475 14.220 12.215 -7.923 1.00 33.31 N ATOM 1249 CZ ARG A 475 14.296 13.548 -8.041 1.00 2.32 C ATOM 1250 NH1 ARG A 475 13.201 14.299 -8.022 1.00 25.01 N ATOM 1251 NH2 ARG A 475 15.477 14.133 -8.170 1.00 43.33 N ATOM 0 H ARG A 475 10.351 10.444 -8.120 1.00 12.40 H new ATOM 0 HA ARG A 475 10.857 8.557 -10.360 1.00 74.30 H new ATOM 0 HB2 ARG A 475 13.225 8.599 -9.746 1.00 13.43 H new ATOM 0 HB3 ARG A 475 12.659 10.211 -10.133 1.00 13.43 H new ATOM 0 HG2 ARG A 475 12.782 9.376 -7.233 1.00 3.33 H new ATOM 0 HG3 ARG A 475 14.275 9.758 -8.066 1.00 3.33 H new ATOM 0 HD2 ARG A 475 12.224 11.846 -8.472 1.00 54.42 H new ATOM 0 HD3 ARG A 475 12.574 11.587 -6.774 1.00 54.42 H new ATOM 0 HE ARG A 475 15.094 11.689 -7.933 1.00 33.31 H new ATOM 0 HH11 ARG A 475 12.285 13.863 -7.916 1.00 25.01 H new ATOM 0 HH12 ARG A 475 13.276 15.312 -8.113 1.00 25.01 H new ATOM 0 HH21 ARG A 475 16.327 13.569 -8.179 1.00 43.33 H new ATOM 0 HH22 ARG A 475 15.537 15.147 -8.260 1.00 43.33 H new ATOM 1265 N LEU A 476 11.203 6.493 -8.936 1.00 25.42 N ATOM 1266 CA LEU A 476 10.927 5.229 -8.201 1.00 53.52 C ATOM 1267 C LEU A 476 12.261 4.691 -7.559 1.00 3.44 C ATOM 1268 O LEU A 476 13.155 4.331 -8.318 1.00 3.21 O ATOM 1269 CB LEU A 476 10.396 4.109 -9.198 1.00 44.25 C ATOM 1270 CG LEU A 476 9.048 4.216 -10.044 1.00 11.40 C ATOM 1271 CD1 LEU A 476 7.786 3.910 -9.232 1.00 12.40 C ATOM 1272 CD2 LEU A 476 8.836 5.543 -10.786 1.00 64.22 C ATOM 0 H LEU A 476 11.583 6.354 -9.872 1.00 25.42 H new ATOM 0 HA LEU A 476 10.179 5.439 -7.437 1.00 53.52 H new ATOM 0 HB2 LEU A 476 11.194 3.947 -9.922 1.00 44.25 H new ATOM 0 HB3 LEU A 476 10.310 3.196 -8.608 1.00 44.25 H new ATOM 0 HG LEU A 476 9.200 3.440 -10.794 1.00 11.40 H new ATOM 0 HD11 LEU A 476 6.909 4.003 -9.873 1.00 12.40 H new ATOM 0 HD12 LEU A 476 7.843 2.895 -8.840 1.00 12.40 H new ATOM 0 HD13 LEU A 476 7.706 4.615 -8.404 1.00 12.40 H new ATOM 0 HD21 LEU A 476 7.891 5.510 -11.329 1.00 64.22 H new ATOM 0 HD22 LEU A 476 8.813 6.362 -10.067 1.00 64.22 H new ATOM 0 HD23 LEU A 476 9.653 5.701 -11.490 1.00 64.22 H new ATOM 1284 N LYS A 477 12.454 4.653 -6.193 1.00 52.33 N ATOM 1285 CA LYS A 477 13.685 3.990 -5.636 1.00 35.54 C ATOM 1286 C LYS A 477 13.368 2.776 -4.717 1.00 71.31 C ATOM 1287 O LYS A 477 12.624 2.923 -3.741 1.00 22.01 O ATOM 1288 CB LYS A 477 14.561 4.994 -4.865 1.00 1.04 C ATOM 1289 CG LYS A 477 15.305 6.017 -5.736 1.00 64.41 C ATOM 1290 CD LYS A 477 16.620 6.469 -5.078 1.00 52.43 C ATOM 1291 CE LYS A 477 17.655 5.329 -4.999 1.00 64.44 C ATOM 1292 NZ LYS A 477 18.979 5.804 -4.532 1.00 43.41 N ATOM 0 H LYS A 477 11.817 5.047 -5.500 1.00 52.33 H new ATOM 0 HA LYS A 477 14.229 3.615 -6.503 1.00 35.54 H new ATOM 0 HB2 LYS A 477 13.931 5.533 -4.158 1.00 1.04 H new ATOM 0 HB3 LYS A 477 15.294 4.438 -4.280 1.00 1.04 H new ATOM 0 HG2 LYS A 477 15.517 5.580 -6.712 1.00 64.41 H new ATOM 0 HG3 LYS A 477 14.666 6.883 -5.907 1.00 64.41 H new ATOM 0 HD2 LYS A 477 17.040 7.300 -5.644 1.00 52.43 H new ATOM 0 HD3 LYS A 477 16.413 6.840 -4.074 1.00 52.43 H new ATOM 0 HE2 LYS A 477 17.290 4.556 -4.323 1.00 64.44 H new ATOM 0 HE3 LYS A 477 17.762 4.869 -5.982 1.00 64.44 H new ATOM 0 HZ1 LYS A 477 19.642 5.003 -4.495 1.00 43.41 H new ATOM 0 HZ2 LYS A 477 19.342 6.523 -5.190 1.00 43.41 H new ATOM 0 HZ3 LYS A 477 18.884 6.219 -3.583 1.00 43.41 H new ATOM 1306 N VAL A 478 13.956 1.569 -5.007 1.00 13.25 N ATOM 1307 CA VAL A 478 13.474 0.294 -4.433 1.00 34.12 C ATOM 1308 C VAL A 478 14.668 -0.669 -4.087 1.00 72.21 C ATOM 1309 O VAL A 478 15.724 -0.591 -4.737 1.00 13.44 O ATOM 1310 CB VAL A 478 12.407 -0.321 -5.399 1.00 75.21 C ATOM 1311 CG1 VAL A 478 12.436 -1.845 -5.482 1.00 51.31 C ATOM 1312 CG2 VAL A 478 10.995 0.142 -5.014 1.00 42.44 C ATOM 0 H VAL A 478 14.757 1.467 -5.631 1.00 13.25 H new ATOM 0 HA VAL A 478 12.982 0.469 -3.476 1.00 34.12 H new ATOM 0 HB VAL A 478 12.674 0.049 -6.389 1.00 75.21 H new ATOM 0 HG11 VAL A 478 11.665 -2.187 -6.173 1.00 51.31 H new ATOM 0 HG12 VAL A 478 13.413 -2.171 -5.838 1.00 51.31 H new ATOM 0 HG13 VAL A 478 12.251 -2.267 -4.494 1.00 51.31 H new ATOM 0 HG21 VAL A 478 10.269 -0.297 -5.698 1.00 42.44 H new ATOM 0 HG22 VAL A 478 10.773 -0.177 -3.996 1.00 42.44 H new ATOM 0 HG23 VAL A 478 10.939 1.229 -5.074 1.00 42.44 H new ATOM 1322 N GLN A 479 14.506 -1.575 -3.070 1.00 13.11 N ATOM 1323 CA GLN A 479 15.647 -2.378 -2.551 1.00 13.25 C ATOM 1324 C GLN A 479 15.210 -3.718 -1.858 1.00 14.24 C ATOM 1325 O GLN A 479 14.020 -3.887 -1.568 1.00 12.20 O ATOM 1326 CB GLN A 479 16.476 -1.519 -1.574 1.00 1.41 C ATOM 1327 CG GLN A 479 17.969 -1.817 -1.546 1.00 63.03 C ATOM 1328 CD GLN A 479 18.625 -1.630 -2.901 1.00 33.53 C ATOM 1329 OE1 GLN A 479 18.726 -2.569 -3.694 1.00 22.24 O ATOM 1330 NE2 GLN A 479 19.044 -0.408 -3.191 1.00 44.42 N ATOM 0 H GLN A 479 13.616 -1.759 -2.608 1.00 13.11 H new ATOM 0 HA GLN A 479 16.249 -2.667 -3.413 1.00 13.25 H new ATOM 0 HB2 GLN A 479 16.337 -0.469 -1.833 1.00 1.41 H new ATOM 0 HB3 GLN A 479 16.077 -1.655 -0.569 1.00 1.41 H new ATOM 0 HG2 GLN A 479 18.453 -1.165 -0.819 1.00 63.03 H new ATOM 0 HG3 GLN A 479 18.125 -2.842 -1.209 1.00 63.03 H new ATOM 0 HE21 GLN A 479 18.942 0.342 -2.507 1.00 44.42 H new ATOM 0 HE22 GLN A 479 19.469 -0.216 -4.098 1.00 44.42 H new ATOM 1339 N LEU A 480 16.196 -4.660 -1.590 1.00 43.43 N ATOM 1340 CA LEU A 480 15.932 -5.927 -0.754 1.00 61.24 C ATOM 1341 C LEU A 480 15.641 -5.428 0.706 1.00 12.04 C ATOM 1342 O LEU A 480 16.178 -4.368 1.061 1.00 71.24 O ATOM 1343 CB LEU A 480 17.207 -6.901 -0.787 1.00 41.11 C ATOM 1344 CG LEU A 480 17.089 -8.492 -0.849 1.00 20.14 C ATOM 1345 CD1 LEU A 480 17.445 -8.999 -2.247 1.00 32.35 C ATOM 1346 CD2 LEU A 480 18.076 -9.087 0.170 1.00 41.02 C ATOM 0 H LEU A 480 17.156 -4.579 -1.925 1.00 43.43 H new ATOM 0 HA LEU A 480 15.093 -6.500 -1.148 1.00 61.24 H new ATOM 0 HB2 LEU A 480 17.802 -6.602 -1.650 1.00 41.11 H new ATOM 0 HB3 LEU A 480 17.795 -6.670 0.101 1.00 41.11 H new ATOM 0 HG LEU A 480 16.067 -8.792 -0.619 1.00 20.14 H new ATOM 0 HD11 LEU A 480 17.360 -10.085 -2.273 1.00 32.35 H new ATOM 0 HD12 LEU A 480 16.762 -8.564 -2.977 1.00 32.35 H new ATOM 0 HD13 LEU A 480 18.467 -8.710 -2.490 1.00 32.35 H new ATOM 0 HD21 LEU A 480 18.013 -10.175 0.145 1.00 41.02 H new ATOM 0 HD22 LEU A 480 19.090 -8.777 -0.082 1.00 41.02 H new ATOM 0 HD23 LEU A 480 17.825 -8.732 1.170 1.00 41.02 H new ATOM 1358 N LYS A 481 14.767 -6.130 1.535 1.00 63.11 N ATOM 1359 CA LYS A 481 14.342 -5.626 2.897 1.00 42.54 C ATOM 1360 C LYS A 481 15.533 -5.386 3.795 1.00 5.34 C ATOM 1361 O LYS A 481 16.209 -6.303 4.267 1.00 22.21 O ATOM 1362 CB LYS A 481 13.239 -6.557 3.583 1.00 45.40 C ATOM 1363 CG LYS A 481 13.050 -6.622 5.168 1.00 22.42 C ATOM 1364 CD LYS A 481 12.695 -5.279 5.889 1.00 40.40 C ATOM 1365 CE LYS A 481 11.687 -5.448 7.067 1.00 1.03 C ATOM 1366 NZ LYS A 481 12.024 -6.581 7.988 1.00 73.01 N ATOM 0 H LYS A 481 14.355 -7.028 1.282 1.00 63.11 H new ATOM 0 HA LYS A 481 13.859 -4.662 2.740 1.00 42.54 H new ATOM 0 HB2 LYS A 481 12.276 -6.264 3.164 1.00 45.40 H new ATOM 0 HB3 LYS A 481 13.436 -7.576 3.248 1.00 45.40 H new ATOM 0 HG2 LYS A 481 12.264 -7.344 5.388 1.00 22.42 H new ATOM 0 HG3 LYS A 481 13.970 -7.010 5.605 1.00 22.42 H new ATOM 0 HD2 LYS A 481 13.611 -4.827 6.269 1.00 40.40 H new ATOM 0 HD3 LYS A 481 12.276 -4.585 5.160 1.00 40.40 H new ATOM 0 HE2 LYS A 481 11.654 -4.522 7.641 1.00 1.03 H new ATOM 0 HE3 LYS A 481 10.689 -5.607 6.660 1.00 1.03 H new ATOM 0 HZ1 LYS A 481 11.443 -6.514 8.848 1.00 73.01 H new ATOM 0 HZ2 LYS A 481 11.832 -7.485 7.511 1.00 73.01 H new ATOM 0 HZ3 LYS A 481 13.031 -6.532 8.245 1.00 73.01 H new ATOM 1380 N ARG A 482 15.779 -4.097 3.938 1.00 11.44 N ATOM 1381 CA ARG A 482 16.795 -3.544 4.787 1.00 22.43 C ATOM 1382 C ARG A 482 16.114 -3.076 6.073 1.00 52.32 C ATOM 1383 O ARG A 482 14.893 -2.858 6.050 1.00 43.10 O ATOM 1384 CB ARG A 482 17.512 -2.400 3.999 1.00 54.01 C ATOM 1385 CG ARG A 482 16.710 -1.096 3.683 1.00 42.04 C ATOM 1386 CD ARG A 482 15.804 -1.126 2.416 1.00 1.32 C ATOM 1387 NE ARG A 482 15.273 0.204 2.109 1.00 52.14 N ATOM 1388 CZ ARG A 482 14.404 0.476 1.117 1.00 44.40 C ATOM 1389 NH1 ARG A 482 13.945 -0.487 0.318 1.00 53.12 N ATOM 1390 NH2 ARG A 482 14.022 1.727 0.905 1.00 21.04 N ATOM 0 H ARG A 482 15.248 -3.383 3.440 1.00 11.44 H new ATOM 0 HA ARG A 482 17.563 -4.265 5.068 1.00 22.43 H new ATOM 0 HB2 ARG A 482 18.400 -2.115 4.563 1.00 54.01 H new ATOM 0 HB3 ARG A 482 17.856 -2.815 3.052 1.00 54.01 H new ATOM 0 HG2 ARG A 482 16.084 -0.864 4.544 1.00 42.04 H new ATOM 0 HG3 ARG A 482 17.420 -0.276 3.575 1.00 42.04 H new ATOM 0 HD2 ARG A 482 16.377 -1.496 1.566 1.00 1.32 H new ATOM 0 HD3 ARG A 482 14.980 -1.822 2.572 1.00 1.32 H new ATOM 0 HE ARG A 482 15.585 0.982 2.690 1.00 52.14 H new ATOM 0 HH11 ARG A 482 14.252 -1.451 0.452 1.00 53.12 H new ATOM 0 HH12 ARG A 482 13.287 -0.260 -0.428 1.00 53.12 H new ATOM 0 HH21 ARG A 482 14.386 2.478 1.492 1.00 21.04 H new ATOM 0 HH22 ARG A 482 13.364 1.939 0.155 1.00 21.04 H new ATOM 1404 N SER A 483 16.882 -2.970 7.185 1.00 35.01 N ATOM 1405 CA SER A 483 16.332 -2.689 8.540 1.00 1.13 C ATOM 1406 C SER A 483 15.354 -1.481 8.562 1.00 4.22 C ATOM 1407 O SER A 483 15.737 -0.360 8.203 1.00 15.03 O ATOM 1408 CB SER A 483 17.523 -2.459 9.496 1.00 42.04 C ATOM 1409 OG SER A 483 18.398 -3.576 9.481 1.00 2.14 O ATOM 0 H SER A 483 17.896 -3.076 7.171 1.00 35.01 H new ATOM 0 HA SER A 483 15.738 -3.545 8.861 1.00 1.13 H new ATOM 0 HB2 SER A 483 18.066 -1.561 9.200 1.00 42.04 H new ATOM 0 HB3 SER A 483 17.156 -2.291 10.509 1.00 42.04 H new ATOM 0 HG SER A 483 19.148 -3.413 10.091 1.00 2.14 H new