USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=11 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 Single : A 398 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.091) USER MOD Single : A 399 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.319) USER MOD Single : A 406 ASN : amide:sc= -0.0904 X(o=-0.09,f=-0.09) USER MOD Single : A 410 TYR OH : rot 30:sc= 0.00196 USER MOD Single : A 411 HIS : no HD1:sc= -0.271 K(o=-0.27,f=-0.78) USER MOD Single : A 414 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 419 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 423 GLN : amide:sc= -0.127 X(o=-0.13,f=0) USER MOD Single : A 424 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 426 MET CE :methyl -137:sc= -1.44 (180deg=-3.16!) USER MOD Single : A 430 ASN : amide:sc=-0.00168 X(o=-0.0017,f=0) USER MOD Single : A 433 SER OG : rot 21:sc= 0.656 USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 452 SER OG : rot 107:sc= 0.0872 USER MOD Single : A 453 TYR OH : rot 165:sc= -0.0173 USER MOD Single : A 455 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 458 SER OG : rot 123:sc= 0.151 USER MOD Single : A 460 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.56) USER MOD Single : A 464 GLN : amide:sc= -0.31 X(o=-0.31,f=-0.33) USER MOD Single : A 466 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 467 ASN : amide:sc= -0.0311 K(o=-0.031,f=-1.3) USER MOD Single : A 470 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 473 MET CE :methyl 162:sc= -0.0093 (180deg=-0.154) USER MOD Single : A 474 LYS NZ :NH3+ -161:sc= -0.092 (180deg=-0.481) USER MOD Single : A 477 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 479 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 481 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 483 SER OG : rot 180:sc= 0.00578 USER MOD ----------------------------------------------------------------- ATOM 56 N GLN A 398 -2.579 -7.708 7.876 1.00 42.33 N ATOM 57 CA GLN A 398 -1.699 -7.367 6.736 1.00 54.41 C ATOM 58 C GLN A 398 -0.770 -8.543 6.390 1.00 33.11 C ATOM 59 O GLN A 398 0.034 -8.987 7.220 1.00 3.52 O ATOM 60 CB GLN A 398 -0.796 -6.109 7.003 1.00 4.13 C ATOM 61 CG GLN A 398 -1.438 -4.844 7.651 1.00 52.13 C ATOM 62 CD GLN A 398 -1.697 -4.958 9.165 1.00 43.45 C ATOM 63 OE1 GLN A 398 -0.795 -4.728 9.966 1.00 35.21 O ATOM 64 NE2 GLN A 398 -2.947 -5.241 9.565 1.00 54.11 N ATOM 0 HA GLN A 398 -2.374 -7.142 5.910 1.00 54.41 H new ATOM 0 HB2 GLN A 398 0.028 -6.425 7.643 1.00 4.13 H new ATOM 0 HB3 GLN A 398 -0.362 -5.807 6.050 1.00 4.13 H new ATOM 0 HG2 GLN A 398 -0.786 -3.989 7.471 1.00 52.13 H new ATOM 0 HG3 GLN A 398 -2.383 -4.635 7.149 1.00 52.13 H new ATOM 0 HE21 GLN A 398 -3.674 -5.427 8.874 1.00 54.11 H new ATOM 0 HE22 GLN A 398 -3.170 -5.270 10.560 1.00 54.11 H new ATOM 73 N LYS A 399 -0.915 -9.038 5.160 1.00 41.22 N ATOM 74 CA LYS A 399 -0.145 -10.174 4.653 1.00 20.12 C ATOM 75 C LYS A 399 1.082 -9.599 3.907 1.00 35.30 C ATOM 76 O LYS A 399 0.939 -8.970 2.854 1.00 35.43 O ATOM 77 CB LYS A 399 -1.094 -11.027 3.713 1.00 13.21 C ATOM 78 CG LYS A 399 -2.502 -11.463 4.304 1.00 21.14 C ATOM 79 CD LYS A 399 -3.545 -11.901 3.228 1.00 11.51 C ATOM 80 CE LYS A 399 -2.941 -12.780 2.124 1.00 12.41 C ATOM 81 NZ LYS A 399 -3.912 -13.051 1.026 1.00 2.23 N ATOM 0 H LYS A 399 -1.576 -8.658 4.482 1.00 41.22 H new ATOM 0 HA LYS A 399 0.214 -10.834 5.442 1.00 20.12 H new ATOM 0 HB2 LYS A 399 -1.273 -10.453 2.804 1.00 13.21 H new ATOM 0 HB3 LYS A 399 -0.557 -11.929 3.420 1.00 13.21 H new ATOM 0 HG2 LYS A 399 -2.350 -12.286 5.002 1.00 21.14 H new ATOM 0 HG3 LYS A 399 -2.915 -10.632 4.876 1.00 21.14 H new ATOM 0 HD2 LYS A 399 -4.354 -12.445 3.716 1.00 11.51 H new ATOM 0 HD3 LYS A 399 -3.986 -11.013 2.776 1.00 11.51 H new ATOM 0 HE2 LYS A 399 -2.058 -12.289 1.713 1.00 12.41 H new ATOM 0 HE3 LYS A 399 -2.609 -13.725 2.555 1.00 12.41 H new ATOM 0 HZ1 LYS A 399 -3.590 -13.870 0.472 1.00 2.23 H new ATOM 0 HZ2 LYS A 399 -4.847 -13.255 1.432 1.00 2.23 H new ATOM 0 HZ3 LYS A 399 -3.977 -12.218 0.407 1.00 2.23 H new ATOM 95 N GLU A 400 2.288 -9.824 4.475 1.00 24.12 N ATOM 96 CA GLU A 400 3.531 -9.161 3.994 1.00 12.41 C ATOM 97 C GLU A 400 4.406 -10.182 3.267 1.00 43.32 C ATOM 98 O GLU A 400 4.107 -11.378 3.368 1.00 22.24 O ATOM 99 CB GLU A 400 4.315 -8.420 5.151 1.00 23.13 C ATOM 100 CG GLU A 400 4.564 -9.193 6.485 1.00 24.41 C ATOM 101 CD GLU A 400 5.890 -8.816 7.135 1.00 71.04 C ATOM 102 OE1 GLU A 400 5.966 -7.727 7.749 1.00 63.25 O ATOM 103 OE2 GLU A 400 6.851 -9.610 7.046 1.00 55.05 O ATOM 0 H GLU A 400 2.431 -10.455 5.263 1.00 24.12 H new ATOM 0 HA GLU A 400 3.248 -8.378 3.291 1.00 12.41 H new ATOM 0 HB2 GLU A 400 5.285 -8.117 4.756 1.00 23.13 H new ATOM 0 HB3 GLU A 400 3.770 -7.507 5.392 1.00 23.13 H new ATOM 0 HG2 GLU A 400 3.750 -8.986 7.180 1.00 24.41 H new ATOM 0 HG3 GLU A 400 4.550 -10.265 6.289 1.00 24.41 H new ATOM 110 N GLY A 401 5.407 -9.727 2.432 1.00 21.21 N ATOM 111 CA GLY A 401 6.429 -10.624 1.905 1.00 62.11 C ATOM 112 C GLY A 401 6.923 -11.717 2.877 1.00 41.32 C ATOM 113 O GLY A 401 7.219 -11.406 4.042 1.00 72.45 O ATOM 0 H GLY A 401 5.502 -8.757 2.131 1.00 21.21 H new ATOM 0 HA2 GLY A 401 6.036 -11.109 1.011 1.00 62.11 H new ATOM 0 HA3 GLY A 401 7.286 -10.026 1.593 1.00 62.11 H new ATOM 117 N PRO A 402 7.035 -13.020 2.436 1.00 13.23 N ATOM 118 CA PRO A 402 7.605 -14.081 3.254 1.00 2.23 C ATOM 119 C PRO A 402 9.126 -14.087 3.158 1.00 2.15 C ATOM 120 O PRO A 402 9.694 -13.153 2.574 1.00 65.15 O ATOM 121 CB PRO A 402 7.000 -15.392 2.689 1.00 64.02 C ATOM 122 CG PRO A 402 6.447 -15.060 1.342 1.00 63.01 C ATOM 123 CD PRO A 402 6.701 -13.589 1.096 1.00 44.31 C ATOM 0 HA PRO A 402 7.374 -13.952 4.311 1.00 2.23 H new ATOM 0 HB2 PRO A 402 7.760 -16.169 2.615 1.00 64.02 H new ATOM 0 HB3 PRO A 402 6.218 -15.773 3.346 1.00 64.02 H new ATOM 0 HG2 PRO A 402 6.924 -15.666 0.572 1.00 63.01 H new ATOM 0 HG3 PRO A 402 5.380 -15.277 1.302 1.00 63.01 H new ATOM 0 HD2 PRO A 402 7.520 -13.443 0.391 1.00 44.31 H new ATOM 0 HD3 PRO A 402 5.823 -13.104 0.670 1.00 44.31 H new ATOM 131 N GLU A 403 9.758 -15.062 3.856 1.00 50.23 N ATOM 132 CA GLU A 403 11.204 -15.358 3.737 1.00 13.53 C ATOM 133 C GLU A 403 11.792 -15.047 2.311 1.00 43.14 C ATOM 134 O GLU A 403 11.570 -15.808 1.356 1.00 23.30 O ATOM 135 CB GLU A 403 11.327 -16.896 4.003 1.00 23.34 C ATOM 136 CG GLU A 403 11.273 -17.209 5.469 1.00 34.52 C ATOM 137 CD GLU A 403 10.808 -18.625 5.781 1.00 61.43 C ATOM 138 OE1 GLU A 403 9.576 -18.842 5.867 1.00 31.02 O ATOM 139 OE2 GLU A 403 11.670 -19.515 5.942 1.00 32.11 O ATOM 0 H GLU A 403 9.275 -15.667 4.520 1.00 50.23 H new ATOM 0 HA GLU A 403 11.762 -14.735 4.436 1.00 13.53 H new ATOM 0 HB2 GLU A 403 10.522 -17.420 3.489 1.00 23.34 H new ATOM 0 HB3 GLU A 403 12.264 -17.264 3.586 1.00 23.34 H new ATOM 0 HG2 GLU A 403 12.263 -17.059 5.899 1.00 34.52 H new ATOM 0 HG3 GLU A 403 10.603 -16.501 5.957 1.00 34.52 H new ATOM 146 N GLY A 404 12.504 -13.876 2.170 1.00 63.03 N ATOM 147 CA GLY A 404 13.467 -13.649 1.099 1.00 64.13 C ATOM 148 C GLY A 404 13.068 -12.617 0.049 1.00 63.32 C ATOM 149 O GLY A 404 13.964 -11.972 -0.514 1.00 41.31 O ATOM 0 H GLY A 404 12.407 -13.085 2.806 1.00 63.03 H new ATOM 0 HA2 GLY A 404 14.411 -13.337 1.546 1.00 64.13 H new ATOM 0 HA3 GLY A 404 13.651 -14.598 0.595 1.00 64.13 H new ATOM 153 N ALA A 405 11.768 -12.417 -0.240 1.00 72.52 N ATOM 154 CA ALA A 405 11.404 -11.320 -1.146 1.00 34.30 C ATOM 155 C ALA A 405 10.505 -10.335 -0.454 1.00 33.35 C ATOM 156 O ALA A 405 9.481 -10.674 0.147 1.00 34.32 O ATOM 157 CB ALA A 405 10.811 -11.774 -2.479 1.00 25.25 C ATOM 0 H ALA A 405 10.991 -12.970 0.121 1.00 72.52 H new ATOM 0 HA ALA A 405 12.341 -10.827 -1.406 1.00 34.30 H new ATOM 0 HB1 ALA A 405 10.571 -10.901 -3.086 1.00 25.25 H new ATOM 0 HB2 ALA A 405 11.535 -12.395 -3.007 1.00 25.25 H new ATOM 0 HB3 ALA A 405 9.904 -12.350 -2.296 1.00 25.25 H new ATOM 163 N ASN A 406 10.963 -9.109 -0.560 1.00 31.11 N ATOM 164 CA ASN A 406 10.452 -7.967 0.178 1.00 41.23 C ATOM 165 C ASN A 406 10.475 -6.764 -0.802 1.00 50.41 C ATOM 166 O ASN A 406 11.565 -6.248 -1.074 1.00 62.11 O ATOM 167 CB ASN A 406 11.339 -7.726 1.463 1.00 61.50 C ATOM 168 CG ASN A 406 11.521 -8.952 2.356 1.00 61.40 C ATOM 169 OD1 ASN A 406 12.455 -9.744 2.183 1.00 0.21 O ATOM 170 ND2 ASN A 406 10.640 -9.092 3.332 1.00 41.23 N ATOM 0 H ASN A 406 11.731 -8.866 -1.186 1.00 31.11 H new ATOM 0 HA ASN A 406 9.434 -8.122 0.536 1.00 41.23 H new ATOM 0 HB2 ASN A 406 12.322 -7.374 1.148 1.00 61.50 H new ATOM 0 HB3 ASN A 406 10.889 -6.928 2.053 1.00 61.50 H new ATOM 0 HD21 ASN A 406 10.716 -9.877 3.979 1.00 41.23 H new ATOM 0 HD22 ASN A 406 9.885 -8.415 3.438 1.00 41.23 H new ATOM 177 N LEU A 407 9.330 -6.316 -1.373 1.00 43.01 N ATOM 178 CA LEU A 407 9.378 -5.244 -2.384 1.00 43.05 C ATOM 179 C LEU A 407 8.687 -4.039 -1.749 1.00 64.41 C ATOM 180 O LEU A 407 7.476 -4.091 -1.616 1.00 53.41 O ATOM 181 CB LEU A 407 8.618 -5.747 -3.700 1.00 34.34 C ATOM 182 CG LEU A 407 9.162 -7.040 -4.368 1.00 53.23 C ATOM 183 CD1 LEU A 407 8.603 -8.286 -3.685 1.00 73.32 C ATOM 184 CD2 LEU A 407 8.785 -7.079 -5.834 1.00 2.42 C ATOM 0 H LEU A 407 8.397 -6.668 -1.158 1.00 43.01 H new ATOM 0 HA LEU A 407 10.393 -4.977 -2.679 1.00 43.05 H new ATOM 0 HB2 LEU A 407 7.570 -5.910 -3.447 1.00 34.34 H new ATOM 0 HB3 LEU A 407 8.647 -4.945 -4.437 1.00 34.34 H new ATOM 0 HG LEU A 407 10.247 -7.029 -4.266 1.00 53.23 H new ATOM 0 HD11 LEU A 407 9.000 -9.177 -4.172 1.00 73.32 H new ATOM 0 HD12 LEU A 407 8.894 -8.287 -2.635 1.00 73.32 H new ATOM 0 HD13 LEU A 407 7.516 -8.285 -3.760 1.00 73.32 H new ATOM 0 HD21 LEU A 407 9.174 -7.991 -6.286 1.00 2.42 H new ATOM 0 HD22 LEU A 407 7.699 -7.061 -5.931 1.00 2.42 H new ATOM 0 HD23 LEU A 407 9.209 -6.213 -6.342 1.00 2.42 H new ATOM 196 N PHE A 408 9.372 -2.921 -1.317 1.00 4.22 N ATOM 197 CA PHE A 408 8.519 -1.855 -0.774 1.00 41.14 C ATOM 198 C PHE A 408 8.370 -0.716 -1.811 1.00 23.12 C ATOM 199 O PHE A 408 9.316 0.036 -1.970 1.00 22.14 O ATOM 200 CB PHE A 408 9.066 -1.262 0.548 1.00 63.30 C ATOM 201 CG PHE A 408 9.147 -2.117 1.791 1.00 74.13 C ATOM 202 CD1 PHE A 408 9.201 -3.507 1.779 1.00 73.53 C ATOM 203 CD2 PHE A 408 9.224 -1.472 3.010 1.00 13.41 C ATOM 204 CE1 PHE A 408 9.317 -4.218 2.953 1.00 14.12 C ATOM 205 CE2 PHE A 408 9.344 -2.173 4.184 1.00 70.22 C ATOM 206 CZ PHE A 408 9.395 -3.549 4.158 1.00 12.20 C ATOM 0 H PHE A 408 10.379 -2.762 -1.335 1.00 4.22 H new ATOM 0 HA PHE A 408 7.552 -2.309 -0.559 1.00 41.14 H new ATOM 0 HB2 PHE A 408 10.071 -0.893 0.344 1.00 63.30 H new ATOM 0 HB3 PHE A 408 8.451 -0.396 0.792 1.00 63.30 H new ATOM 0 HD1 PHE A 408 9.151 -4.035 0.838 1.00 73.53 H new ATOM 0 HD2 PHE A 408 9.189 -0.393 3.040 1.00 13.41 H new ATOM 0 HE1 PHE A 408 9.347 -5.297 2.931 1.00 14.12 H new ATOM 0 HE2 PHE A 408 9.398 -1.647 5.126 1.00 70.22 H new ATOM 0 HZ PHE A 408 9.496 -4.104 5.079 1.00 12.20 H new ATOM 216 N ILE A 409 7.182 -0.514 -2.466 1.00 60.24 N ATOM 217 CA ILE A 409 7.126 0.425 -3.647 1.00 34.02 C ATOM 218 C ILE A 409 6.610 1.806 -3.273 1.00 20.32 C ATOM 219 O ILE A 409 5.484 1.971 -2.798 1.00 74.15 O ATOM 220 CB ILE A 409 6.359 -0.176 -4.907 1.00 64.21 C ATOM 221 CG1 ILE A 409 5.689 -1.544 -4.613 1.00 51.10 C ATOM 222 CG2 ILE A 409 7.316 -0.345 -6.096 1.00 2.25 C ATOM 223 CD1 ILE A 409 4.177 -1.492 -4.390 1.00 43.43 C ATOM 0 H ILE A 409 6.297 -0.957 -2.219 1.00 60.24 H new ATOM 0 HA ILE A 409 8.163 0.546 -3.961 1.00 34.02 H new ATOM 0 HB ILE A 409 5.574 0.541 -5.148 1.00 64.21 H new ATOM 0 HG12 ILE A 409 5.895 -2.218 -5.445 1.00 51.10 H new ATOM 0 HG13 ILE A 409 6.156 -1.977 -3.729 1.00 51.10 H new ATOM 0 HG21 ILE A 409 6.771 -0.757 -6.946 1.00 2.25 H new ATOM 0 HG22 ILE A 409 7.733 0.625 -6.368 1.00 2.25 H new ATOM 0 HG23 ILE A 409 8.124 -1.023 -5.820 1.00 2.25 H new ATOM 0 HD11 ILE A 409 3.804 -2.497 -4.192 1.00 43.43 H new ATOM 0 HD12 ILE A 409 3.957 -0.849 -3.538 1.00 43.43 H new ATOM 0 HD13 ILE A 409 3.691 -1.093 -5.281 1.00 43.43 H new ATOM 235 N TYR A 410 7.471 2.818 -3.524 1.00 33.32 N ATOM 236 CA TYR A 410 7.242 4.163 -2.990 1.00 20.32 C ATOM 237 C TYR A 410 7.620 5.208 -4.043 1.00 10.20 C ATOM 238 O TYR A 410 8.346 4.848 -4.967 1.00 72.10 O ATOM 239 CB TYR A 410 8.049 4.325 -1.662 1.00 41.40 C ATOM 240 CG TYR A 410 9.584 4.470 -1.732 1.00 50.55 C ATOM 241 CD1 TYR A 410 10.178 5.698 -2.035 1.00 0.25 C ATOM 242 CD2 TYR A 410 10.447 3.405 -1.427 1.00 14.41 C ATOM 243 CE1 TYR A 410 11.549 5.856 -2.053 1.00 72.52 C ATOM 244 CE2 TYR A 410 11.830 3.575 -1.437 1.00 2.14 C ATOM 245 CZ TYR A 410 12.367 4.797 -1.749 1.00 74.23 C ATOM 246 OH TYR A 410 13.745 4.948 -1.768 1.00 24.51 O ATOM 0 H TYR A 410 8.317 2.723 -4.086 1.00 33.32 H new ATOM 0 HA TYR A 410 6.188 4.314 -2.758 1.00 20.32 H new ATOM 0 HB2 TYR A 410 7.659 5.202 -1.145 1.00 41.40 H new ATOM 0 HB3 TYR A 410 7.828 3.461 -1.035 1.00 41.40 H new ATOM 0 HD1 TYR A 410 9.548 6.546 -2.261 1.00 0.25 H new ATOM 0 HD2 TYR A 410 10.032 2.439 -1.181 1.00 14.41 H new ATOM 0 HE1 TYR A 410 11.978 6.814 -2.307 1.00 72.52 H new ATOM 0 HE2 TYR A 410 12.478 2.745 -1.199 1.00 2.14 H new ATOM 0 HH TYR A 410 13.976 5.873 -1.540 1.00 24.51 H new ATOM 256 N HIS A 411 7.106 6.489 -3.923 1.00 25.21 N ATOM 257 CA HIS A 411 7.403 7.565 -4.892 1.00 61.43 C ATOM 258 C HIS A 411 6.693 7.314 -6.246 1.00 64.13 C ATOM 259 O HIS A 411 7.148 7.815 -7.277 1.00 4.11 O ATOM 260 CB HIS A 411 8.936 7.781 -5.086 1.00 1.22 C ATOM 261 CG HIS A 411 9.569 8.801 -4.161 1.00 64.21 C ATOM 262 ND1 HIS A 411 8.846 9.811 -3.560 1.00 13.01 N ATOM 263 CD2 HIS A 411 10.859 8.954 -3.722 1.00 74.13 C ATOM 264 CE1 HIS A 411 9.657 10.551 -2.822 1.00 1.51 C ATOM 265 NE2 HIS A 411 10.869 10.052 -2.895 1.00 73.31 N ATOM 0 H HIS A 411 6.491 6.777 -3.162 1.00 25.21 H new ATOM 0 HA HIS A 411 7.006 8.488 -4.471 1.00 61.43 H new ATOM 0 HB2 HIS A 411 9.441 6.825 -4.946 1.00 1.22 H new ATOM 0 HB3 HIS A 411 9.115 8.089 -6.116 1.00 1.22 H new ATOM 0 HD2 HIS A 411 11.704 8.332 -3.977 1.00 74.13 H new ATOM 0 HE1 HIS A 411 9.369 11.423 -2.253 1.00 1.51 H new ATOM 0 HE2 HIS A 411 11.689 10.421 -2.414 1.00 73.31 H new ATOM 274 N LEU A 412 5.570 6.536 -6.220 1.00 31.02 N ATOM 275 CA LEU A 412 4.692 6.338 -7.400 1.00 22.14 C ATOM 276 C LEU A 412 4.136 7.674 -7.931 1.00 12.15 C ATOM 277 O LEU A 412 3.744 8.541 -7.158 1.00 14.32 O ATOM 278 CB LEU A 412 3.497 5.379 -7.085 1.00 73.33 C ATOM 279 CG LEU A 412 2.650 5.743 -5.842 1.00 34.31 C ATOM 280 CD1 LEU A 412 1.360 6.500 -6.147 1.00 43.25 C ATOM 281 CD2 LEU A 412 2.325 4.536 -4.982 1.00 63.11 C ATOM 0 H LEU A 412 5.256 6.037 -5.388 1.00 31.02 H new ATOM 0 HA LEU A 412 5.319 5.883 -8.167 1.00 22.14 H new ATOM 0 HB2 LEU A 412 2.839 5.351 -7.954 1.00 73.33 H new ATOM 0 HB3 LEU A 412 3.890 4.371 -6.951 1.00 73.33 H new ATOM 0 HG LEU A 412 3.299 6.421 -5.289 1.00 34.31 H new ATOM 0 HD11 LEU A 412 0.834 6.712 -5.216 1.00 43.25 H new ATOM 0 HD12 LEU A 412 1.598 7.437 -6.650 1.00 43.25 H new ATOM 0 HD13 LEU A 412 0.726 5.893 -6.793 1.00 43.25 H new ATOM 0 HD21 LEU A 412 1.730 4.850 -4.125 1.00 63.11 H new ATOM 0 HD22 LEU A 412 1.761 3.812 -5.570 1.00 63.11 H new ATOM 0 HD23 LEU A 412 3.251 4.078 -4.633 1.00 63.11 H new ATOM 293 N PRO A 413 4.163 7.861 -9.266 1.00 3.41 N ATOM 294 CA PRO A 413 3.550 9.018 -9.967 1.00 54.33 C ATOM 295 C PRO A 413 1.999 9.035 -9.950 1.00 35.32 C ATOM 296 O PRO A 413 1.386 8.069 -9.547 1.00 43.44 O ATOM 297 CB PRO A 413 4.082 8.841 -11.381 1.00 50.30 C ATOM 298 CG PRO A 413 4.208 7.381 -11.513 1.00 70.05 C ATOM 299 CD PRO A 413 4.847 6.974 -10.242 1.00 64.21 C ATOM 0 HA PRO A 413 3.804 9.964 -9.489 1.00 54.33 H new ATOM 0 HB2 PRO A 413 3.399 9.255 -12.123 1.00 50.30 H new ATOM 0 HB3 PRO A 413 5.041 9.342 -11.516 1.00 50.30 H new ATOM 0 HG2 PRO A 413 3.237 6.904 -11.645 1.00 70.05 H new ATOM 0 HG3 PRO A 413 4.817 7.107 -12.374 1.00 70.05 H new ATOM 0 HD2 PRO A 413 4.684 5.919 -10.021 1.00 64.21 H new ATOM 0 HD3 PRO A 413 5.925 7.134 -10.256 1.00 64.21 H new ATOM 307 N GLN A 414 1.414 10.183 -10.357 1.00 54.43 N ATOM 308 CA GLN A 414 -0.059 10.487 -10.315 1.00 3.51 C ATOM 309 C GLN A 414 -1.000 9.385 -10.931 1.00 1.52 C ATOM 310 O GLN A 414 -2.046 9.099 -10.340 1.00 34.43 O ATOM 311 CB GLN A 414 -0.264 11.883 -10.991 1.00 62.51 C ATOM 312 CG GLN A 414 -1.537 12.090 -11.847 1.00 74.25 C ATOM 313 CD GLN A 414 -1.471 13.391 -12.616 1.00 22.14 C ATOM 314 OE1 GLN A 414 -1.971 14.418 -12.164 1.00 73.22 O ATOM 315 NE2 GLN A 414 -0.784 13.374 -13.755 1.00 42.53 N ATOM 0 H GLN A 414 1.959 10.957 -10.738 1.00 54.43 H new ATOM 0 HA GLN A 414 -0.367 10.499 -9.269 1.00 3.51 H new ATOM 0 HB2 GLN A 414 -0.262 12.639 -10.206 1.00 62.51 H new ATOM 0 HB3 GLN A 414 0.601 12.079 -11.624 1.00 62.51 H new ATOM 0 HG2 GLN A 414 -1.650 11.258 -12.542 1.00 74.25 H new ATOM 0 HG3 GLN A 414 -2.416 12.089 -11.203 1.00 74.25 H new ATOM 0 HE21 GLN A 414 -0.384 12.500 -14.097 1.00 42.53 H new ATOM 0 HE22 GLN A 414 -0.657 14.235 -14.287 1.00 42.53 H new ATOM 324 N GLU A 415 -0.645 8.766 -12.089 1.00 72.41 N ATOM 325 CA GLU A 415 -1.515 7.715 -12.703 1.00 54.24 C ATOM 326 C GLU A 415 -1.222 6.312 -12.081 1.00 0.15 C ATOM 327 O GLU A 415 -2.088 5.435 -12.093 1.00 13.01 O ATOM 328 CB GLU A 415 -1.391 7.717 -14.253 1.00 62.34 C ATOM 329 CG GLU A 415 -2.730 7.580 -15.036 1.00 1.02 C ATOM 330 CD GLU A 415 -2.526 7.520 -16.543 1.00 1.13 C ATOM 331 OE1 GLU A 415 -1.660 6.747 -17.008 1.00 62.31 O ATOM 332 OE2 GLU A 415 -3.242 8.248 -17.267 1.00 73.52 O ATOM 0 H GLU A 415 0.211 8.965 -12.607 1.00 72.41 H new ATOM 0 HA GLU A 415 -2.554 7.953 -12.473 1.00 54.24 H new ATOM 0 HB2 GLU A 415 -0.905 8.643 -14.559 1.00 62.34 H new ATOM 0 HB3 GLU A 415 -0.733 6.899 -14.548 1.00 62.34 H new ATOM 0 HG2 GLU A 415 -3.248 6.679 -14.707 1.00 1.02 H new ATOM 0 HG3 GLU A 415 -3.375 8.424 -14.794 1.00 1.02 H new ATOM 339 N PHE A 416 0.004 6.118 -11.543 1.00 61.01 N ATOM 340 CA PHE A 416 0.283 4.995 -10.556 1.00 44.31 C ATOM 341 C PHE A 416 -0.340 5.304 -9.143 1.00 73.44 C ATOM 342 O PHE A 416 -0.747 6.435 -8.857 1.00 23.05 O ATOM 343 CB PHE A 416 1.796 4.557 -10.476 1.00 40.12 C ATOM 344 CG PHE A 416 2.377 3.745 -11.647 1.00 3.13 C ATOM 345 CD1 PHE A 416 1.796 3.687 -12.923 1.00 74.13 C ATOM 346 CD2 PHE A 416 3.556 3.016 -11.443 1.00 61.41 C ATOM 347 CE1 PHE A 416 2.380 2.932 -13.939 1.00 74.24 C ATOM 348 CE2 PHE A 416 4.127 2.271 -12.452 1.00 64.13 C ATOM 349 CZ PHE A 416 3.542 2.236 -13.701 1.00 22.42 C ATOM 0 H PHE A 416 0.815 6.699 -11.756 1.00 61.01 H new ATOM 0 HA PHE A 416 -0.225 4.117 -10.955 1.00 44.31 H new ATOM 0 HB2 PHE A 416 2.399 5.458 -10.363 1.00 40.12 H new ATOM 0 HB3 PHE A 416 1.926 3.971 -9.566 1.00 40.12 H new ATOM 0 HD1 PHE A 416 0.886 4.234 -13.120 1.00 74.13 H new ATOM 0 HD2 PHE A 416 4.028 3.038 -10.472 1.00 61.41 H new ATOM 0 HE1 PHE A 416 1.919 2.894 -14.915 1.00 74.24 H new ATOM 0 HE2 PHE A 416 5.033 1.714 -12.265 1.00 64.13 H new ATOM 0 HZ PHE A 416 3.998 1.661 -14.493 1.00 22.42 H new ATOM 359 N GLY A 417 -0.474 4.272 -8.276 1.00 74.02 N ATOM 360 CA GLY A 417 -1.541 4.276 -7.241 1.00 1.41 C ATOM 361 C GLY A 417 -1.944 2.833 -6.847 1.00 72.31 C ATOM 362 O GLY A 417 -1.385 1.897 -7.410 1.00 4.53 O ATOM 0 H GLY A 417 0.125 3.446 -8.269 1.00 74.02 H new ATOM 0 HA2 GLY A 417 -1.193 4.813 -6.359 1.00 1.41 H new ATOM 0 HA3 GLY A 417 -2.414 4.811 -7.616 1.00 1.41 H new ATOM 366 N ASP A 418 -2.936 2.630 -5.924 1.00 33.41 N ATOM 367 CA ASP A 418 -3.066 1.307 -5.228 1.00 61.41 C ATOM 368 C ASP A 418 -3.847 0.201 -5.985 1.00 52.40 C ATOM 369 O ASP A 418 -3.395 -0.952 -5.918 1.00 70.00 O ATOM 370 CB ASP A 418 -3.540 1.427 -3.752 1.00 10.43 C ATOM 371 CG ASP A 418 -4.849 2.184 -3.590 1.00 35.41 C ATOM 372 OD1 ASP A 418 -5.916 1.546 -3.668 1.00 14.23 O ATOM 373 OD2 ASP A 418 -4.804 3.413 -3.383 1.00 14.51 O ATOM 0 H ASP A 418 -3.627 3.329 -5.654 1.00 33.41 H new ATOM 0 HA ASP A 418 -2.034 0.956 -5.224 1.00 61.41 H new ATOM 0 HB2 ASP A 418 -3.655 0.427 -3.334 1.00 10.43 H new ATOM 0 HB3 ASP A 418 -2.766 1.928 -3.171 1.00 10.43 H new ATOM 378 N GLN A 419 -4.990 0.489 -6.713 1.00 71.11 N ATOM 379 CA GLN A 419 -5.643 -0.541 -7.537 1.00 62.33 C ATOM 380 C GLN A 419 -4.671 -0.967 -8.686 1.00 74.03 C ATOM 381 O GLN A 419 -4.702 -2.104 -9.170 1.00 62.23 O ATOM 382 CB GLN A 419 -6.996 -0.074 -8.132 1.00 11.34 C ATOM 383 CG GLN A 419 -7.767 -1.198 -8.846 1.00 54.10 C ATOM 384 CD GLN A 419 -8.390 -0.738 -10.145 1.00 35.10 C ATOM 385 OE1 GLN A 419 -9.485 -0.181 -10.158 1.00 1.12 O ATOM 386 NE2 GLN A 419 -7.722 -1.033 -11.254 1.00 21.22 N ATOM 0 H GLN A 419 -5.445 1.401 -6.731 1.00 71.11 H new ATOM 0 HA GLN A 419 -5.866 -1.388 -6.888 1.00 62.33 H new ATOM 0 HB2 GLN A 419 -7.616 0.331 -7.332 1.00 11.34 H new ATOM 0 HB3 GLN A 419 -6.814 0.737 -8.837 1.00 11.34 H new ATOM 0 HG2 GLN A 419 -7.090 -2.029 -9.046 1.00 54.10 H new ATOM 0 HG3 GLN A 419 -8.548 -1.575 -8.186 1.00 54.10 H new ATOM 0 HE21 GLN A 419 -6.815 -1.496 -11.195 1.00 21.22 H new ATOM 0 HE22 GLN A 419 -8.116 -0.796 -12.165 1.00 21.22 H new ATOM 395 N ASP A 420 -3.756 -0.040 -9.061 1.00 41.33 N ATOM 396 CA ASP A 420 -2.851 -0.201 -10.210 1.00 53.51 C ATOM 397 C ASP A 420 -1.509 -0.897 -9.828 1.00 31.02 C ATOM 398 O ASP A 420 -0.730 -1.306 -10.688 1.00 34.31 O ATOM 399 CB ASP A 420 -2.692 1.151 -10.968 1.00 33.31 C ATOM 400 CG ASP A 420 -1.367 1.359 -11.698 1.00 20.51 C ATOM 401 OD1 ASP A 420 -0.417 1.874 -11.070 1.00 35.42 O ATOM 402 OD2 ASP A 420 -1.279 0.986 -12.894 1.00 33.41 O ATOM 0 H ASP A 420 -3.630 0.844 -8.567 1.00 41.33 H new ATOM 0 HA ASP A 420 -3.306 -0.896 -10.916 1.00 53.51 H new ATOM 0 HB2 ASP A 420 -3.501 1.235 -11.694 1.00 33.31 H new ATOM 0 HB3 ASP A 420 -2.821 1.963 -10.252 1.00 33.31 H new ATOM 407 N ILE A 421 -1.246 -1.050 -8.536 1.00 45.21 N ATOM 408 CA ILE A 421 0.000 -1.710 -8.063 1.00 21.10 C ATOM 409 C ILE A 421 -0.010 -3.230 -8.443 1.00 24.04 C ATOM 410 O ILE A 421 0.985 -3.774 -8.938 1.00 30.01 O ATOM 411 CB ILE A 421 0.231 -1.422 -6.513 1.00 0.12 C ATOM 412 CG1 ILE A 421 1.122 -0.128 -6.313 1.00 34.23 C ATOM 413 CG2 ILE A 421 0.835 -2.630 -5.762 1.00 73.34 C ATOM 414 CD1 ILE A 421 0.934 0.599 -4.961 1.00 71.20 C ATOM 0 H ILE A 421 -1.864 -0.734 -7.789 1.00 45.21 H new ATOM 0 HA ILE A 421 0.864 -1.283 -8.572 1.00 21.10 H new ATOM 0 HB ILE A 421 -0.751 -1.245 -6.075 1.00 0.12 H new ATOM 0 HG12 ILE A 421 2.170 -0.409 -6.413 1.00 34.23 H new ATOM 0 HG13 ILE A 421 0.902 0.573 -7.118 1.00 34.23 H new ATOM 0 HG21 ILE A 421 0.970 -2.375 -4.711 1.00 73.34 H new ATOM 0 HG22 ILE A 421 0.162 -3.483 -5.845 1.00 73.34 H new ATOM 0 HG23 ILE A 421 1.800 -2.885 -6.200 1.00 73.34 H new ATOM 0 HD11 ILE A 421 1.588 1.470 -4.923 1.00 71.20 H new ATOM 0 HD12 ILE A 421 -0.103 0.919 -4.861 1.00 71.20 H new ATOM 0 HD13 ILE A 421 1.185 -0.079 -4.145 1.00 71.20 H new ATOM 426 N LEU A 422 -1.166 -3.866 -8.223 1.00 73.11 N ATOM 427 CA LEU A 422 -1.540 -5.177 -8.749 1.00 52.42 C ATOM 428 C LEU A 422 -1.639 -5.170 -10.339 1.00 32.03 C ATOM 429 O LEU A 422 -1.612 -6.238 -10.939 1.00 15.13 O ATOM 430 CB LEU A 422 -2.822 -5.666 -7.954 1.00 43.02 C ATOM 431 CG LEU A 422 -3.709 -6.805 -8.501 1.00 45.51 C ATOM 432 CD1 LEU A 422 -4.484 -7.417 -7.341 1.00 3.44 C ATOM 433 CD2 LEU A 422 -4.718 -6.301 -9.540 1.00 44.03 C ATOM 0 H LEU A 422 -1.900 -3.458 -7.644 1.00 73.11 H new ATOM 0 HA LEU A 422 -0.766 -5.924 -8.577 1.00 52.42 H new ATOM 0 HB2 LEU A 422 -2.486 -5.971 -6.963 1.00 43.02 H new ATOM 0 HB3 LEU A 422 -3.465 -4.797 -7.819 1.00 43.02 H new ATOM 0 HG LEU A 422 -3.059 -7.535 -8.982 1.00 45.51 H new ATOM 0 HD11 LEU A 422 -5.116 -8.224 -7.711 1.00 3.44 H new ATOM 0 HD12 LEU A 422 -3.785 -7.813 -6.605 1.00 3.44 H new ATOM 0 HD13 LEU A 422 -5.107 -6.653 -6.876 1.00 3.44 H new ATOM 0 HD21 LEU A 422 -5.320 -7.136 -9.897 1.00 44.03 H new ATOM 0 HD22 LEU A 422 -5.368 -5.554 -9.084 1.00 44.03 H new ATOM 0 HD23 LEU A 422 -4.184 -5.854 -10.379 1.00 44.03 H new ATOM 445 N GLN A 423 -1.736 -3.974 -11.028 1.00 71.11 N ATOM 446 CA GLN A 423 -1.784 -3.905 -12.528 1.00 11.53 C ATOM 447 C GLN A 423 -0.396 -4.071 -13.209 1.00 62.12 C ATOM 448 O GLN A 423 -0.248 -4.970 -14.046 1.00 65.02 O ATOM 449 CB GLN A 423 -2.457 -2.587 -13.044 1.00 43.42 C ATOM 450 CG GLN A 423 -4.007 -2.538 -12.973 1.00 12.42 C ATOM 451 CD GLN A 423 -4.607 -1.394 -13.788 1.00 63.00 C ATOM 452 OE1 GLN A 423 -5.716 -1.514 -14.312 1.00 72.03 O ATOM 453 NE2 GLN A 423 -3.903 -0.270 -13.890 1.00 55.23 N ATOM 0 H GLN A 423 -1.781 -3.064 -10.570 1.00 71.11 H new ATOM 0 HA GLN A 423 -2.398 -4.759 -12.815 1.00 11.53 H new ATOM 0 HB2 GLN A 423 -2.061 -1.751 -12.468 1.00 43.42 H new ATOM 0 HB3 GLN A 423 -2.156 -2.431 -14.080 1.00 43.42 H new ATOM 0 HG2 GLN A 423 -4.412 -3.484 -13.333 1.00 12.42 H new ATOM 0 HG3 GLN A 423 -4.314 -2.435 -11.932 1.00 12.42 H new ATOM 0 HE21 GLN A 423 -2.988 -0.199 -13.446 1.00 55.23 H new ATOM 0 HE22 GLN A 423 -4.279 0.521 -14.413 1.00 55.23 H new ATOM 462 N MET A 424 0.612 -3.230 -12.869 1.00 23.55 N ATOM 463 CA MET A 424 1.891 -3.226 -13.630 1.00 21.41 C ATOM 464 C MET A 424 2.795 -4.427 -13.303 1.00 41.43 C ATOM 465 O MET A 424 3.337 -5.024 -14.231 1.00 10.51 O ATOM 466 CB MET A 424 2.684 -1.906 -13.418 1.00 54.14 C ATOM 467 CG MET A 424 3.288 -1.271 -14.698 1.00 10.24 C ATOM 468 SD MET A 424 4.441 -2.344 -15.593 1.00 55.33 S ATOM 469 CE MET A 424 4.931 -1.264 -16.941 1.00 13.23 C ATOM 0 H MET A 424 0.571 -2.564 -12.097 1.00 23.55 H new ATOM 0 HA MET A 424 1.601 -3.306 -14.678 1.00 21.41 H new ATOM 0 HB2 MET A 424 2.022 -1.177 -12.951 1.00 54.14 H new ATOM 0 HB3 MET A 424 3.493 -2.099 -12.714 1.00 54.14 H new ATOM 0 HG2 MET A 424 2.475 -0.992 -15.369 1.00 10.24 H new ATOM 0 HG3 MET A 424 3.805 -0.351 -14.424 1.00 10.24 H new ATOM 0 HE1 MET A 424 5.642 -1.783 -17.583 1.00 13.23 H new ATOM 0 HE2 MET A 424 4.052 -0.987 -17.523 1.00 13.23 H new ATOM 0 HE3 MET A 424 5.396 -0.365 -16.536 1.00 13.23 H new ATOM 479 N PHE A 425 2.916 -4.832 -12.020 1.00 5.54 N ATOM 480 CA PHE A 425 3.946 -5.778 -11.616 1.00 33.33 C ATOM 481 C PHE A 425 3.572 -7.272 -11.951 1.00 53.34 C ATOM 482 O PHE A 425 4.337 -8.178 -11.593 1.00 41.01 O ATOM 483 CB PHE A 425 4.375 -5.513 -10.121 1.00 62.15 C ATOM 484 CG PHE A 425 5.730 -4.888 -9.924 1.00 35.51 C ATOM 485 CD1 PHE A 425 5.912 -3.517 -10.091 1.00 1.02 C ATOM 486 CD2 PHE A 425 6.805 -5.653 -9.528 1.00 34.12 C ATOM 487 CE1 PHE A 425 7.141 -2.937 -9.879 1.00 3.00 C ATOM 488 CE2 PHE A 425 8.039 -5.084 -9.311 1.00 62.32 C ATOM 489 CZ PHE A 425 8.216 -3.719 -9.489 1.00 1.32 C ATOM 0 H PHE A 425 2.312 -4.514 -11.262 1.00 5.54 H new ATOM 0 HA PHE A 425 4.836 -5.606 -12.221 1.00 33.33 H new ATOM 0 HB2 PHE A 425 3.628 -4.867 -9.659 1.00 62.15 H new ATOM 0 HB3 PHE A 425 4.353 -6.461 -9.584 1.00 62.15 H new ATOM 0 HD1 PHE A 425 5.077 -2.901 -10.391 1.00 1.02 H new ATOM 0 HD2 PHE A 425 6.677 -6.716 -9.386 1.00 34.12 H new ATOM 0 HE1 PHE A 425 7.268 -1.873 -10.016 1.00 3.00 H new ATOM 0 HE2 PHE A 425 8.870 -5.700 -9.002 1.00 62.32 H new ATOM 0 HZ PHE A 425 9.184 -3.270 -9.325 1.00 1.32 H new ATOM 499 N MET A 426 2.406 -7.526 -12.655 1.00 1.13 N ATOM 500 CA MET A 426 1.778 -8.856 -12.707 1.00 20.32 C ATOM 501 C MET A 426 2.454 -9.872 -13.658 1.00 41.03 C ATOM 502 O MET A 426 2.569 -11.032 -13.266 1.00 74.44 O ATOM 503 CB MET A 426 0.287 -8.734 -13.035 1.00 55.25 C ATOM 504 CG MET A 426 -0.595 -9.159 -11.877 1.00 64.44 C ATOM 505 SD MET A 426 -0.530 -10.918 -11.530 1.00 33.23 S ATOM 506 CE MET A 426 -1.524 -10.918 -10.052 1.00 32.30 C ATOM 0 H MET A 426 1.904 -6.813 -13.184 1.00 1.13 H new ATOM 0 HA MET A 426 1.916 -9.268 -11.707 1.00 20.32 H new ATOM 0 HB2 MET A 426 0.060 -7.702 -13.302 1.00 55.25 H new ATOM 0 HB3 MET A 426 0.058 -9.347 -13.907 1.00 55.25 H new ATOM 0 HG2 MET A 426 -0.297 -8.610 -10.984 1.00 64.44 H new ATOM 0 HG3 MET A 426 -1.626 -8.878 -12.094 1.00 64.44 H new ATOM 0 HE1 MET A 426 -1.064 -11.564 -9.304 1.00 32.30 H new ATOM 0 HE2 MET A 426 -1.594 -9.903 -9.661 1.00 32.30 H new ATOM 0 HE3 MET A 426 -2.523 -11.287 -10.285 1.00 32.30 H new ATOM 516 N PRO A 427 2.902 -9.529 -14.922 1.00 32.11 N ATOM 517 CA PRO A 427 3.612 -10.520 -15.757 1.00 40.22 C ATOM 518 C PRO A 427 5.040 -10.844 -15.273 1.00 64.32 C ATOM 519 O PRO A 427 5.728 -11.691 -15.859 1.00 61.33 O ATOM 520 CB PRO A 427 3.639 -9.897 -17.156 1.00 14.41 C ATOM 521 CG PRO A 427 3.383 -8.438 -16.988 1.00 72.41 C ATOM 522 CD PRO A 427 2.720 -8.236 -15.647 1.00 72.15 C ATOM 0 HA PRO A 427 3.099 -11.481 -15.719 1.00 40.22 H new ATOM 0 HB2 PRO A 427 4.603 -10.067 -17.635 1.00 14.41 H new ATOM 0 HB3 PRO A 427 2.881 -10.351 -17.795 1.00 14.41 H new ATOM 0 HG2 PRO A 427 4.317 -7.878 -17.040 1.00 72.41 H new ATOM 0 HG3 PRO A 427 2.744 -8.068 -17.790 1.00 72.41 H new ATOM 0 HD2 PRO A 427 3.178 -7.411 -15.102 1.00 72.15 H new ATOM 0 HD3 PRO A 427 1.663 -7.994 -15.762 1.00 72.15 H new ATOM 530 N PHE A 428 5.462 -10.193 -14.180 1.00 44.03 N ATOM 531 CA PHE A 428 6.743 -10.482 -13.546 1.00 41.31 C ATOM 532 C PHE A 428 6.576 -11.450 -12.329 1.00 51.33 C ATOM 533 O PHE A 428 7.584 -11.767 -11.683 1.00 54.21 O ATOM 534 CB PHE A 428 7.513 -9.155 -13.126 1.00 40.30 C ATOM 535 CG PHE A 428 8.139 -8.327 -14.224 1.00 40.41 C ATOM 536 CD1 PHE A 428 8.872 -8.921 -15.235 1.00 11.40 C ATOM 537 CD2 PHE A 428 8.055 -6.929 -14.200 1.00 52.31 C ATOM 538 CE1 PHE A 428 9.499 -8.155 -16.196 1.00 34.52 C ATOM 539 CE2 PHE A 428 8.677 -6.163 -15.174 1.00 15.13 C ATOM 540 CZ PHE A 428 9.396 -6.779 -16.167 1.00 21.33 C ATOM 0 H PHE A 428 4.926 -9.458 -13.718 1.00 44.03 H new ATOM 0 HA PHE A 428 7.357 -10.989 -14.290 1.00 41.31 H new ATOM 0 HB2 PHE A 428 6.813 -8.519 -12.584 1.00 40.30 H new ATOM 0 HB3 PHE A 428 8.300 -9.432 -12.425 1.00 40.30 H new ATOM 0 HD1 PHE A 428 8.955 -9.997 -15.273 1.00 11.40 H new ATOM 0 HD2 PHE A 428 7.499 -6.442 -13.413 1.00 52.31 H new ATOM 0 HE1 PHE A 428 10.073 -8.635 -16.975 1.00 34.52 H new ATOM 0 HE2 PHE A 428 8.596 -5.086 -15.151 1.00 15.13 H new ATOM 0 HZ PHE A 428 9.882 -6.186 -16.927 1.00 21.33 H new ATOM 550 N GLY A 429 5.342 -11.995 -12.036 1.00 33.34 N ATOM 551 CA GLY A 429 5.236 -12.918 -10.884 1.00 23.14 C ATOM 552 C GLY A 429 3.859 -12.846 -10.097 1.00 54.14 C ATOM 553 O GLY A 429 2.980 -12.092 -10.514 1.00 51.01 O ATOM 0 H GLY A 429 4.478 -11.819 -12.548 1.00 33.34 H new ATOM 0 HA2 GLY A 429 5.382 -13.938 -11.239 1.00 23.14 H new ATOM 0 HA3 GLY A 429 6.047 -12.703 -10.189 1.00 23.14 H new ATOM 557 N ASN A 430 3.675 -13.628 -8.959 1.00 51.22 N ATOM 558 CA ASN A 430 2.369 -13.704 -8.158 1.00 23.21 C ATOM 559 C ASN A 430 2.124 -12.449 -7.174 1.00 13.32 C ATOM 560 O ASN A 430 3.010 -12.183 -6.354 1.00 34.54 O ATOM 561 CB ASN A 430 2.435 -15.015 -7.276 1.00 21.12 C ATOM 562 CG ASN A 430 1.084 -15.545 -6.775 1.00 23.23 C ATOM 563 OD1 ASN A 430 0.954 -15.910 -5.606 1.00 14.32 O ATOM 564 ND2 ASN A 430 0.092 -15.678 -7.661 1.00 61.55 N ATOM 0 H ASN A 430 4.414 -14.216 -8.574 1.00 51.22 H new ATOM 0 HA ASN A 430 1.547 -13.702 -8.874 1.00 23.21 H new ATOM 0 HB2 ASN A 430 2.920 -15.799 -7.858 1.00 21.12 H new ATOM 0 HB3 ASN A 430 3.071 -14.819 -6.413 1.00 21.12 H new ATOM 0 HD21 ASN A 430 -0.796 -16.089 -7.374 1.00 61.55 H new ATOM 0 HD22 ASN A 430 0.223 -15.368 -8.624 1.00 61.55 H new ATOM 571 N VAL A 431 0.957 -11.653 -7.237 1.00 12.25 N ATOM 572 CA VAL A 431 0.553 -10.750 -6.066 1.00 14.12 C ATOM 573 C VAL A 431 -0.014 -11.618 -4.884 1.00 40.14 C ATOM 574 O VAL A 431 -0.623 -12.668 -5.142 1.00 74.12 O ATOM 575 CB VAL A 431 -0.569 -9.613 -6.321 1.00 0.40 C ATOM 576 CG1 VAL A 431 -0.269 -8.594 -7.423 1.00 35.05 C ATOM 577 CG2 VAL A 431 -1.990 -10.153 -6.535 1.00 1.54 C ATOM 0 H VAL A 431 0.324 -11.624 -8.036 1.00 12.25 H new ATOM 0 HA VAL A 431 1.490 -10.231 -5.865 1.00 14.12 H new ATOM 0 HB VAL A 431 -0.520 -9.085 -5.369 1.00 0.40 H new ATOM 0 HG11 VAL A 431 -1.094 -7.885 -7.498 1.00 35.05 H new ATOM 0 HG12 VAL A 431 0.649 -8.058 -7.183 1.00 35.05 H new ATOM 0 HG13 VAL A 431 -0.148 -9.112 -8.374 1.00 35.05 H new ATOM 0 HG21 VAL A 431 -2.675 -9.321 -6.698 1.00 1.54 H new ATOM 0 HG22 VAL A 431 -2.003 -10.809 -7.405 1.00 1.54 H new ATOM 0 HG23 VAL A 431 -2.303 -10.713 -5.654 1.00 1.54 H new ATOM 587 N ILE A 432 0.199 -11.230 -3.591 1.00 0.23 N ATOM 588 CA ILE A 432 -0.698 -11.780 -2.492 1.00 10.31 C ATOM 589 C ILE A 432 -1.479 -10.647 -1.771 1.00 33.10 C ATOM 590 O ILE A 432 -2.687 -10.793 -1.604 1.00 4.11 O ATOM 591 CB ILE A 432 -0.158 -12.889 -1.419 1.00 60.30 C ATOM 592 CG1 ILE A 432 1.275 -13.482 -1.675 1.00 71.32 C ATOM 593 CG2 ILE A 432 -1.097 -14.110 -1.396 1.00 63.44 C ATOM 594 CD1 ILE A 432 1.730 -14.680 -0.742 1.00 34.21 C ATOM 0 H ILE A 432 0.927 -10.585 -3.283 1.00 0.23 H new ATOM 0 HA ILE A 432 -1.339 -12.414 -3.104 1.00 10.31 H new ATOM 0 HB ILE A 432 -0.125 -12.321 -0.489 1.00 60.30 H new ATOM 0 HG12 ILE A 432 1.323 -13.821 -2.710 1.00 71.32 H new ATOM 0 HG13 ILE A 432 2.000 -12.675 -1.570 1.00 71.32 H new ATOM 0 HG21 ILE A 432 -0.726 -14.841 -0.677 1.00 63.44 H new ATOM 0 HG22 ILE A 432 -2.099 -13.793 -1.107 1.00 63.44 H new ATOM 0 HG23 ILE A 432 -1.131 -14.561 -2.388 1.00 63.44 H new ATOM 0 HD11 ILE A 432 2.735 -14.997 -1.021 1.00 34.21 H new ATOM 0 HD12 ILE A 432 1.728 -14.352 0.298 1.00 34.21 H new ATOM 0 HD13 ILE A 432 1.040 -15.516 -0.860 1.00 34.21 H new ATOM 606 N SER A 433 -0.819 -9.522 -1.331 1.00 74.05 N ATOM 607 CA SER A 433 -1.596 -8.365 -0.718 1.00 14.14 C ATOM 608 C SER A 433 -0.891 -6.936 -0.845 1.00 55.12 C ATOM 609 O SER A 433 0.329 -6.883 -0.654 1.00 45.34 O ATOM 610 CB SER A 433 -1.853 -8.647 0.794 1.00 72.32 C ATOM 611 OG SER A 433 -2.943 -9.535 0.971 1.00 53.30 O ATOM 0 H SER A 433 0.191 -9.386 -1.380 1.00 74.05 H new ATOM 0 HA SER A 433 -2.521 -8.310 -1.292 1.00 14.14 H new ATOM 0 HB2 SER A 433 -0.957 -9.073 1.245 1.00 72.32 H new ATOM 0 HB3 SER A 433 -2.056 -7.710 1.312 1.00 72.32 H new ATOM 0 HG SER A 433 -3.097 -10.034 0.142 1.00 53.30 H new ATOM 617 N ALA A 434 -1.644 -5.774 -1.174 1.00 43.42 N ATOM 618 CA ALA A 434 -1.113 -4.357 -0.882 1.00 0.32 C ATOM 619 C ALA A 434 -2.124 -3.236 -0.864 1.00 21.22 C ATOM 620 O ALA A 434 -3.195 -3.265 -1.465 1.00 41.21 O ATOM 621 CB ALA A 434 0.011 -3.850 -1.787 1.00 4.21 C ATOM 0 H ALA A 434 -2.564 -5.797 -1.615 1.00 43.42 H new ATOM 0 HA ALA A 434 -0.747 -4.559 0.125 1.00 0.32 H new ATOM 0 HB1 ALA A 434 0.298 -2.844 -1.482 1.00 4.21 H new ATOM 0 HB2 ALA A 434 0.872 -4.513 -1.704 1.00 4.21 H new ATOM 0 HB3 ALA A 434 -0.335 -3.831 -2.821 1.00 4.21 H new ATOM 627 N LYS A 435 -1.684 -2.237 -0.077 1.00 64.03 N ATOM 628 CA LYS A 435 -2.346 -0.954 0.142 1.00 32.31 C ATOM 629 C LYS A 435 -1.253 0.158 0.246 1.00 62.41 C ATOM 630 O LYS A 435 -0.193 -0.130 0.820 1.00 31.34 O ATOM 631 CB LYS A 435 -3.121 -1.027 1.483 1.00 71.50 C ATOM 632 CG LYS A 435 -2.930 -2.344 2.259 1.00 53.44 C ATOM 633 CD LYS A 435 -3.609 -2.363 3.626 1.00 2.55 C ATOM 634 CE LYS A 435 -3.041 -1.293 4.554 1.00 55.35 C ATOM 635 NZ LYS A 435 -3.450 -1.478 5.986 1.00 62.31 N ATOM 0 H LYS A 435 -0.812 -2.315 0.446 1.00 64.03 H new ATOM 0 HA LYS A 435 -3.030 -0.730 -0.677 1.00 32.31 H new ATOM 0 HB2 LYS A 435 -2.806 -0.198 2.116 1.00 71.50 H new ATOM 0 HB3 LYS A 435 -4.183 -0.889 1.282 1.00 71.50 H new ATOM 0 HG2 LYS A 435 -3.320 -3.167 1.660 1.00 53.44 H new ATOM 0 HG3 LYS A 435 -1.863 -2.524 2.392 1.00 53.44 H new ATOM 0 HD2 LYS A 435 -4.680 -2.206 3.502 1.00 2.55 H new ATOM 0 HD3 LYS A 435 -3.482 -3.345 4.082 1.00 2.55 H new ATOM 0 HE2 LYS A 435 -1.953 -1.304 4.489 1.00 55.35 H new ATOM 0 HE3 LYS A 435 -3.371 -0.312 4.212 1.00 55.35 H new ATOM 0 HZ1 LYS A 435 -3.034 -0.722 6.566 1.00 62.31 H new ATOM 0 HZ2 LYS A 435 -4.487 -1.439 6.059 1.00 62.31 H new ATOM 0 HZ3 LYS A 435 -3.113 -2.401 6.327 1.00 62.31 H new ATOM 649 N VAL A 436 -1.448 1.399 -0.292 1.00 14.13 N ATOM 650 CA VAL A 436 -0.529 2.515 0.109 1.00 23.42 C ATOM 651 C VAL A 436 -1.172 3.175 1.299 1.00 41.43 C ATOM 652 O VAL A 436 -2.371 3.470 1.214 1.00 12.32 O ATOM 653 CB VAL A 436 -0.255 3.684 -0.943 1.00 23.03 C ATOM 654 CG1 VAL A 436 1.247 3.966 -1.122 1.00 73.51 C ATOM 655 CG2 VAL A 436 -0.957 3.520 -2.298 1.00 1.22 C ATOM 0 H VAL A 436 -2.179 1.645 -0.959 1.00 14.13 H new ATOM 0 HA VAL A 436 0.440 2.039 0.260 1.00 23.42 H new ATOM 0 HB VAL A 436 -0.719 4.560 -0.489 1.00 23.03 H new ATOM 0 HG11 VAL A 436 1.383 4.769 -1.847 1.00 73.51 H new ATOM 0 HG12 VAL A 436 1.678 4.264 -0.166 1.00 73.51 H new ATOM 0 HG13 VAL A 436 1.746 3.066 -1.480 1.00 73.51 H new ATOM 0 HG21 VAL A 436 -0.708 4.364 -2.941 1.00 1.22 H new ATOM 0 HG22 VAL A 436 -0.626 2.594 -2.769 1.00 1.22 H new ATOM 0 HG23 VAL A 436 -2.036 3.485 -2.147 1.00 1.22 H new ATOM 665 N PHE A 437 -0.447 3.396 2.423 1.00 40.20 N ATOM 666 CA PHE A 437 -1.035 4.213 3.449 1.00 63.30 C ATOM 667 C PHE A 437 -0.927 5.667 3.001 1.00 2.21 C ATOM 668 O PHE A 437 0.126 6.302 3.058 1.00 32.34 O ATOM 669 CB PHE A 437 -0.446 3.980 4.886 1.00 23.31 C ATOM 670 CG PHE A 437 1.028 4.225 5.149 1.00 24.21 C ATOM 671 CD1 PHE A 437 2.044 3.558 4.466 1.00 33.43 C ATOM 672 CD2 PHE A 437 1.383 5.114 6.139 1.00 54.15 C ATOM 673 CE1 PHE A 437 3.369 3.796 4.766 1.00 12.33 C ATOM 674 CE2 PHE A 437 2.705 5.355 6.439 1.00 43.34 C ATOM 675 CZ PHE A 437 3.700 4.698 5.752 1.00 52.03 C ATOM 0 H PHE A 437 0.487 3.034 2.614 1.00 40.20 H new ATOM 0 HA PHE A 437 -2.080 3.924 3.562 1.00 63.30 H new ATOM 0 HB2 PHE A 437 -1.008 4.612 5.573 1.00 23.31 H new ATOM 0 HB3 PHE A 437 -0.657 2.946 5.159 1.00 23.31 H new ATOM 0 HD1 PHE A 437 1.791 2.847 3.693 1.00 33.43 H new ATOM 0 HD2 PHE A 437 0.611 5.631 6.690 1.00 54.15 H new ATOM 0 HE1 PHE A 437 4.147 3.275 4.228 1.00 12.33 H new ATOM 0 HE2 PHE A 437 2.962 6.061 7.215 1.00 43.34 H new ATOM 0 HZ PHE A 437 4.737 4.889 5.986 1.00 52.03 H new ATOM 846 N PHE A 448 5.831 5.670 1.030 1.00 74.23 N ATOM 847 CA PHE A 448 6.394 4.435 1.599 1.00 3.22 C ATOM 848 C PHE A 448 5.390 3.256 1.400 1.00 53.30 C ATOM 849 O PHE A 448 4.202 3.407 1.682 1.00 11.24 O ATOM 850 CB PHE A 448 6.778 4.685 3.091 1.00 31.03 C ATOM 851 CG PHE A 448 8.007 3.934 3.574 1.00 45.44 C ATOM 852 CD1 PHE A 448 7.914 2.647 4.105 1.00 14.21 C ATOM 853 CD2 PHE A 448 9.270 4.537 3.529 1.00 14.11 C ATOM 854 CE1 PHE A 448 9.042 1.996 4.574 1.00 30.31 C ATOM 855 CE2 PHE A 448 10.391 3.880 3.993 1.00 43.23 C ATOM 856 CZ PHE A 448 10.278 2.611 4.514 1.00 62.43 C ATOM 0 HA PHE A 448 7.309 4.148 1.080 1.00 3.22 H new ATOM 0 HB2 PHE A 448 6.944 5.753 3.233 1.00 31.03 H new ATOM 0 HB3 PHE A 448 5.932 4.408 3.719 1.00 31.03 H new ATOM 0 HD1 PHE A 448 6.954 2.155 4.150 1.00 14.21 H new ATOM 0 HD2 PHE A 448 9.368 5.533 3.124 1.00 14.11 H new ATOM 0 HE1 PHE A 448 8.956 1.003 4.989 1.00 30.31 H new ATOM 0 HE2 PHE A 448 11.357 4.361 3.947 1.00 43.23 H new ATOM 0 HZ PHE A 448 11.156 2.096 4.876 1.00 62.43 H new ATOM 866 N GLY A 449 5.872 2.122 0.832 1.00 61.04 N ATOM 867 CA GLY A 449 4.985 0.949 0.489 1.00 44.34 C ATOM 868 C GLY A 449 5.407 -0.423 1.089 1.00 3.21 C ATOM 869 O GLY A 449 6.337 -0.466 1.876 1.00 4.14 O ATOM 0 H GLY A 449 6.855 1.982 0.599 1.00 61.04 H new ATOM 0 HA2 GLY A 449 3.973 1.174 0.825 1.00 44.34 H new ATOM 0 HA3 GLY A 449 4.947 0.853 -0.596 1.00 44.34 H new ATOM 873 N PHE A 450 4.653 -1.540 0.773 1.00 64.35 N ATOM 874 CA PHE A 450 5.133 -2.967 1.056 1.00 34.41 C ATOM 875 C PHE A 450 4.424 -3.959 0.058 1.00 71.03 C ATOM 876 O PHE A 450 3.285 -3.644 -0.304 1.00 33.15 O ATOM 877 CB PHE A 450 4.923 -3.381 2.575 1.00 44.41 C ATOM 878 CG PHE A 450 3.552 -3.921 2.986 1.00 62.12 C ATOM 879 CD1 PHE A 450 3.170 -5.240 2.718 1.00 51.03 C ATOM 880 CD2 PHE A 450 2.649 -3.110 3.663 1.00 3.23 C ATOM 881 CE1 PHE A 450 1.930 -5.709 3.091 1.00 1.23 C ATOM 882 CE2 PHE A 450 1.405 -3.587 4.045 1.00 25.45 C ATOM 883 CZ PHE A 450 1.046 -4.885 3.749 1.00 45.31 C ATOM 0 H PHE A 450 3.734 -1.492 0.334 1.00 64.35 H new ATOM 0 HA PHE A 450 6.209 -3.017 0.890 1.00 34.41 H new ATOM 0 HB2 PHE A 450 5.668 -4.137 2.822 1.00 44.41 H new ATOM 0 HB3 PHE A 450 5.138 -2.509 3.192 1.00 44.41 H new ATOM 0 HD1 PHE A 450 3.858 -5.900 2.211 1.00 51.03 H new ATOM 0 HD2 PHE A 450 2.921 -2.091 3.895 1.00 3.23 H new ATOM 0 HE1 PHE A 450 1.650 -6.728 2.866 1.00 1.23 H new ATOM 0 HE2 PHE A 450 0.718 -2.943 4.574 1.00 25.45 H new ATOM 0 HZ PHE A 450 0.072 -5.255 4.033 1.00 45.31 H new ATOM 893 N VAL A 451 5.037 -5.140 -0.412 1.00 71.21 N ATOM 894 CA VAL A 451 4.207 -6.150 -1.219 1.00 51.53 C ATOM 895 C VAL A 451 4.833 -7.611 -1.293 1.00 11.24 C ATOM 896 O VAL A 451 6.057 -7.751 -1.208 1.00 10.22 O ATOM 897 CB VAL A 451 3.708 -5.505 -2.625 1.00 4.13 C ATOM 898 CG1 VAL A 451 4.801 -4.819 -3.411 1.00 33.45 C ATOM 899 CG2 VAL A 451 3.002 -6.440 -3.610 1.00 41.13 C ATOM 0 H VAL A 451 6.013 -5.395 -0.261 1.00 71.21 H new ATOM 0 HA VAL A 451 3.295 -6.348 -0.657 1.00 51.53 H new ATOM 0 HB VAL A 451 2.977 -4.794 -2.241 1.00 4.13 H new ATOM 0 HG11 VAL A 451 4.386 -4.416 -4.335 1.00 33.45 H new ATOM 0 HG12 VAL A 451 5.222 -4.007 -2.817 1.00 33.45 H new ATOM 0 HG13 VAL A 451 5.585 -5.538 -3.649 1.00 33.45 H new ATOM 0 HG21 VAL A 451 2.722 -5.883 -4.504 1.00 41.13 H new ATOM 0 HG22 VAL A 451 3.674 -7.253 -3.885 1.00 41.13 H new ATOM 0 HG23 VAL A 451 2.106 -6.851 -3.144 1.00 41.13 H new ATOM 909 N SER A 452 3.968 -8.713 -1.435 1.00 63.22 N ATOM 910 CA SER A 452 4.333 -10.092 -1.159 1.00 71.31 C ATOM 911 C SER A 452 4.516 -10.871 -2.504 1.00 4.32 C ATOM 912 O SER A 452 3.568 -10.926 -3.296 1.00 43.14 O ATOM 913 CB SER A 452 3.161 -10.672 -0.299 1.00 34.53 C ATOM 914 OG SER A 452 3.529 -11.904 0.274 1.00 31.31 O ATOM 0 H SER A 452 3.003 -8.612 -1.749 1.00 63.22 H new ATOM 0 HA SER A 452 5.279 -10.178 -0.624 1.00 71.31 H new ATOM 0 HB2 SER A 452 2.895 -9.965 0.486 1.00 34.53 H new ATOM 0 HB3 SER A 452 2.277 -10.804 -0.922 1.00 34.53 H new ATOM 0 HG SER A 452 3.685 -11.785 1.234 1.00 31.31 H new ATOM 920 N TYR A 453 5.730 -11.439 -2.796 1.00 62.54 N ATOM 921 CA TYR A 453 5.972 -12.074 -4.100 1.00 12.30 C ATOM 922 C TYR A 453 6.328 -13.571 -3.905 1.00 74.44 C ATOM 923 O TYR A 453 7.075 -13.837 -2.961 1.00 3.24 O ATOM 924 CB TYR A 453 7.128 -11.237 -4.686 1.00 51.04 C ATOM 925 CG TYR A 453 7.138 -10.823 -6.151 1.00 73.12 C ATOM 926 CD1 TYR A 453 6.091 -10.160 -6.783 1.00 12.44 C ATOM 927 CD2 TYR A 453 8.305 -10.966 -6.865 1.00 13.33 C ATOM 928 CE1 TYR A 453 6.236 -9.655 -8.077 1.00 73.24 C ATOM 929 CE2 TYR A 453 8.454 -10.484 -8.161 1.00 60.12 C ATOM 930 CZ TYR A 453 7.417 -9.827 -8.753 1.00 54.22 C ATOM 931 OH TYR A 453 7.574 -9.299 -10.007 1.00 22.41 O ATOM 0 H TYR A 453 6.523 -11.462 -2.156 1.00 62.54 H new ATOM 0 HA TYR A 453 5.111 -12.084 -4.769 1.00 12.30 H new ATOM 0 HB2 TYR A 453 7.189 -10.322 -4.096 1.00 51.04 H new ATOM 0 HB3 TYR A 453 8.047 -11.794 -4.506 1.00 51.04 H new ATOM 0 HD1 TYR A 453 5.152 -10.034 -6.265 1.00 12.44 H new ATOM 0 HD2 TYR A 453 9.138 -11.473 -6.401 1.00 13.33 H new ATOM 0 HE1 TYR A 453 5.418 -9.129 -8.546 1.00 73.24 H new ATOM 0 HE2 TYR A 453 9.383 -10.629 -8.693 1.00 60.12 H new ATOM 0 HH TYR A 453 8.525 -9.299 -10.245 1.00 22.41 H new ATOM 941 N ASP A 454 5.783 -14.532 -4.779 1.00 12.35 N ATOM 942 CA ASP A 454 5.928 -16.026 -4.624 1.00 74.42 C ATOM 943 C ASP A 454 7.193 -16.534 -3.854 1.00 21.45 C ATOM 944 O ASP A 454 7.089 -16.839 -2.658 1.00 53.54 O ATOM 945 CB ASP A 454 5.788 -16.742 -6.001 1.00 53.44 C ATOM 946 CG ASP A 454 6.531 -16.045 -7.144 1.00 34.14 C ATOM 947 OD1 ASP A 454 5.938 -15.161 -7.795 1.00 3.34 O ATOM 948 OD2 ASP A 454 7.704 -16.381 -7.384 1.00 1.22 O ATOM 0 H ASP A 454 5.237 -14.272 -5.600 1.00 12.35 H new ATOM 0 HA ASP A 454 5.102 -16.300 -3.967 1.00 74.42 H new ATOM 0 HB2 ASP A 454 6.161 -17.762 -5.908 1.00 53.44 H new ATOM 0 HB3 ASP A 454 4.731 -16.811 -6.257 1.00 53.44 H new ATOM 953 N ASN A 455 8.348 -16.606 -4.540 1.00 2.43 N ATOM 954 CA ASN A 455 9.636 -17.018 -3.937 1.00 2.51 C ATOM 955 C ASN A 455 10.800 -16.145 -4.436 1.00 73.31 C ATOM 956 O ASN A 455 10.713 -15.605 -5.528 1.00 62.02 O ATOM 957 CB ASN A 455 9.901 -18.536 -4.204 1.00 43.25 C ATOM 958 CG ASN A 455 9.284 -19.453 -3.134 1.00 1.01 C ATOM 959 OD1 ASN A 455 9.905 -19.734 -2.108 1.00 61.01 O ATOM 960 ND2 ASN A 455 8.080 -19.977 -3.408 1.00 42.22 N ATOM 0 H ASN A 455 8.418 -16.380 -5.532 1.00 2.43 H new ATOM 0 HA ASN A 455 9.569 -16.869 -2.859 1.00 2.51 H new ATOM 0 HB2 ASN A 455 9.496 -18.803 -5.180 1.00 43.25 H new ATOM 0 HB3 ASN A 455 10.976 -18.709 -4.246 1.00 43.25 H new ATOM 0 HD21 ASN A 455 7.649 -20.632 -2.756 1.00 42.22 H new ATOM 0 HD22 ASN A 455 7.596 -19.720 -4.268 1.00 42.22 H new ATOM 967 N PRO A 456 11.872 -15.907 -3.602 1.00 54.50 N ATOM 968 CA PRO A 456 13.175 -15.293 -4.000 1.00 1.05 C ATOM 969 C PRO A 456 13.795 -15.534 -5.435 1.00 30.13 C ATOM 970 O PRO A 456 14.814 -14.917 -5.718 1.00 33.31 O ATOM 971 CB PRO A 456 14.152 -15.767 -2.903 1.00 52.23 C ATOM 972 CG PRO A 456 13.324 -16.522 -1.904 1.00 22.42 C ATOM 973 CD PRO A 456 11.909 -16.072 -2.113 1.00 10.30 C ATOM 0 HA PRO A 456 12.987 -14.223 -4.086 1.00 1.05 H new ATOM 0 HB2 PRO A 456 14.931 -16.403 -3.324 1.00 52.23 H new ATOM 0 HB3 PRO A 456 14.652 -14.919 -2.434 1.00 52.23 H new ATOM 0 HG2 PRO A 456 13.417 -17.598 -2.054 1.00 22.42 H new ATOM 0 HG3 PRO A 456 13.654 -16.312 -0.886 1.00 22.42 H new ATOM 0 HD2 PRO A 456 11.187 -16.810 -1.763 1.00 10.30 H new ATOM 0 HD3 PRO A 456 11.692 -15.140 -1.590 1.00 10.30 H new ATOM 981 N VAL A 457 13.269 -16.407 -6.339 1.00 0.31 N ATOM 982 CA VAL A 457 13.853 -16.491 -7.681 1.00 5.41 C ATOM 983 C VAL A 457 13.289 -15.301 -8.537 1.00 71.32 C ATOM 984 O VAL A 457 13.876 -14.900 -9.553 1.00 53.33 O ATOM 985 CB VAL A 457 13.749 -17.945 -8.358 1.00 44.43 C ATOM 986 CG1 VAL A 457 12.329 -18.482 -8.451 1.00 60.12 C ATOM 987 CG2 VAL A 457 14.394 -17.968 -9.741 1.00 21.41 C ATOM 0 H VAL A 457 12.480 -17.029 -6.164 1.00 0.31 H new ATOM 0 HA VAL A 457 14.935 -16.373 -7.614 1.00 5.41 H new ATOM 0 HB VAL A 457 14.298 -18.605 -7.686 1.00 44.43 H new ATOM 0 HG11 VAL A 457 12.342 -19.466 -8.919 1.00 60.12 H new ATOM 0 HG12 VAL A 457 11.904 -18.561 -7.451 1.00 60.12 H new ATOM 0 HG13 VAL A 457 11.722 -17.804 -9.050 1.00 60.12 H new ATOM 0 HG21 VAL A 457 14.304 -18.967 -10.168 1.00 21.41 H new ATOM 0 HG22 VAL A 457 13.891 -17.250 -10.389 1.00 21.41 H new ATOM 0 HG23 VAL A 457 15.448 -17.703 -9.655 1.00 21.41 H new ATOM 997 N SER A 458 12.184 -14.669 -8.072 1.00 71.32 N ATOM 998 CA SER A 458 11.746 -13.381 -8.570 1.00 65.33 C ATOM 999 C SER A 458 12.419 -12.171 -7.789 1.00 71.20 C ATOM 1000 O SER A 458 12.135 -11.024 -8.171 1.00 63.12 O ATOM 1001 CB SER A 458 10.190 -13.322 -8.596 1.00 41.53 C ATOM 1002 OG SER A 458 9.666 -14.589 -8.966 1.00 32.35 O ATOM 0 H SER A 458 11.585 -15.053 -7.342 1.00 71.32 H new ATOM 0 HA SER A 458 12.090 -13.268 -9.598 1.00 65.33 H new ATOM 0 HB2 SER A 458 9.812 -13.034 -7.615 1.00 41.53 H new ATOM 0 HB3 SER A 458 9.858 -12.561 -9.302 1.00 41.53 H new ATOM 0 HG SER A 458 9.057 -14.908 -8.268 1.00 32.35 H new ATOM 1008 N ALA A 459 13.237 -12.410 -6.649 1.00 2.44 N ATOM 1009 CA ALA A 459 13.886 -11.305 -5.847 1.00 31.34 C ATOM 1010 C ALA A 459 14.614 -10.262 -6.705 1.00 44.02 C ATOM 1011 O ALA A 459 14.177 -9.131 -6.839 1.00 53.45 O ATOM 1012 CB ALA A 459 14.973 -11.877 -4.909 1.00 52.03 C ATOM 0 H ALA A 459 13.441 -13.345 -6.296 1.00 2.44 H new ATOM 0 HA ALA A 459 13.058 -10.839 -5.313 1.00 31.34 H new ATOM 0 HB1 ALA A 459 15.427 -11.065 -4.341 1.00 52.03 H new ATOM 0 HB2 ALA A 459 14.521 -12.592 -4.222 1.00 52.03 H new ATOM 0 HB3 ALA A 459 15.738 -12.378 -5.502 1.00 52.03 H new ATOM 1018 N GLN A 460 15.685 -10.701 -7.362 1.00 35.41 N ATOM 1019 CA GLN A 460 16.630 -9.791 -8.020 1.00 74.53 C ATOM 1020 C GLN A 460 16.229 -9.444 -9.462 1.00 2.54 C ATOM 1021 O GLN A 460 16.704 -8.441 -9.996 1.00 63.52 O ATOM 1022 CB GLN A 460 18.089 -10.303 -7.882 1.00 22.33 C ATOM 1023 CG GLN A 460 18.962 -9.481 -6.896 1.00 64.54 C ATOM 1024 CD GLN A 460 18.390 -9.320 -5.484 1.00 75.11 C ATOM 1025 OE1 GLN A 460 17.686 -10.180 -4.969 1.00 45.23 O ATOM 1026 NE2 GLN A 460 18.726 -8.215 -4.835 1.00 15.21 N ATOM 0 H GLN A 460 15.924 -11.688 -7.455 1.00 35.41 H new ATOM 0 HA GLN A 460 16.584 -8.839 -7.492 1.00 74.53 H new ATOM 0 HB2 GLN A 460 18.068 -11.342 -7.552 1.00 22.33 H new ATOM 0 HB3 GLN A 460 18.561 -10.291 -8.864 1.00 22.33 H new ATOM 0 HG2 GLN A 460 19.940 -9.957 -6.821 1.00 64.54 H new ATOM 0 HG3 GLN A 460 19.122 -8.489 -7.320 1.00 64.54 H new ATOM 0 HE21 GLN A 460 19.314 -7.516 -5.289 1.00 15.21 H new ATOM 0 HE22 GLN A 460 18.397 -8.064 -3.881 1.00 15.21 H new ATOM 1035 N ALA A 461 15.353 -10.265 -10.077 1.00 33.11 N ATOM 1036 CA ALA A 461 14.850 -9.975 -11.423 1.00 3.41 C ATOM 1037 C ALA A 461 13.976 -8.626 -11.537 1.00 21.23 C ATOM 1038 O ALA A 461 14.271 -7.841 -12.439 1.00 74.00 O ATOM 1039 CB ALA A 461 14.221 -11.257 -12.051 1.00 34.25 C ATOM 0 H ALA A 461 14.987 -11.123 -9.664 1.00 33.11 H new ATOM 0 HA ALA A 461 15.702 -9.717 -12.052 1.00 3.41 H new ATOM 0 HB1 ALA A 461 13.851 -11.029 -13.051 1.00 34.25 H new ATOM 0 HB2 ALA A 461 14.977 -12.040 -12.114 1.00 34.25 H new ATOM 0 HB3 ALA A 461 13.395 -11.600 -11.428 1.00 34.25 H new ATOM 1045 N ALA A 462 12.936 -8.309 -10.653 1.00 53.04 N ATOM 1046 CA ALA A 462 12.198 -6.960 -10.703 1.00 33.53 C ATOM 1047 C ALA A 462 12.832 -5.793 -9.865 1.00 43.42 C ATOM 1048 O ALA A 462 12.773 -4.651 -10.332 1.00 32.21 O ATOM 1049 CB ALA A 462 10.712 -7.162 -10.375 1.00 5.24 C ATOM 0 H ALA A 462 12.601 -8.941 -9.926 1.00 53.04 H new ATOM 0 HA ALA A 462 12.309 -6.611 -11.730 1.00 33.53 H new ATOM 0 HB1 ALA A 462 10.197 -6.202 -10.413 1.00 5.24 H new ATOM 0 HB2 ALA A 462 10.268 -7.841 -11.103 1.00 5.24 H new ATOM 0 HB3 ALA A 462 10.614 -7.587 -9.376 1.00 5.24 H new ATOM 1055 N ILE A 463 13.402 -6.066 -8.651 1.00 41.11 N ATOM 1056 CA ILE A 463 14.217 -5.082 -7.833 1.00 2.34 C ATOM 1057 C ILE A 463 15.162 -4.130 -8.701 1.00 61.04 C ATOM 1058 O ILE A 463 15.115 -2.913 -8.499 1.00 23.14 O ATOM 1059 CB ILE A 463 15.002 -5.815 -6.599 1.00 1.12 C ATOM 1060 CG1 ILE A 463 14.111 -6.019 -5.311 1.00 75.50 C ATOM 1061 CG2 ILE A 463 16.300 -5.100 -6.157 1.00 25.12 C ATOM 1062 CD1 ILE A 463 12.718 -6.659 -5.452 1.00 35.24 C ATOM 0 H ILE A 463 13.314 -6.977 -8.201 1.00 41.11 H new ATOM 0 HA ILE A 463 13.491 -4.402 -7.387 1.00 2.34 H new ATOM 0 HB ILE A 463 15.256 -6.784 -7.029 1.00 1.12 H new ATOM 0 HG12 ILE A 463 14.682 -6.629 -4.611 1.00 75.50 H new ATOM 0 HG13 ILE A 463 13.977 -5.042 -4.847 1.00 75.50 H new ATOM 0 HG21 ILE A 463 16.757 -5.651 -5.335 1.00 25.12 H new ATOM 0 HG22 ILE A 463 16.995 -5.056 -6.996 1.00 25.12 H new ATOM 0 HG23 ILE A 463 16.064 -4.088 -5.828 1.00 25.12 H new ATOM 0 HD11 ILE A 463 12.246 -6.723 -4.472 1.00 35.24 H new ATOM 0 HD12 ILE A 463 12.102 -6.048 -6.112 1.00 35.24 H new ATOM 0 HD13 ILE A 463 12.818 -7.660 -5.872 1.00 35.24 H new ATOM 1074 N GLN A 464 15.981 -4.641 -9.674 1.00 51.44 N ATOM 1075 CA GLN A 464 16.817 -3.756 -10.532 1.00 31.23 C ATOM 1076 C GLN A 464 16.183 -3.277 -11.914 1.00 75.35 C ATOM 1077 O GLN A 464 16.657 -2.254 -12.417 1.00 24.25 O ATOM 1078 CB GLN A 464 18.244 -4.362 -10.716 1.00 4.35 C ATOM 1079 CG GLN A 464 19.040 -4.536 -9.408 1.00 72.13 C ATOM 1080 CD GLN A 464 19.923 -5.772 -9.445 1.00 3.44 C ATOM 1081 OE1 GLN A 464 20.404 -6.188 -10.501 1.00 20.30 O ATOM 1082 NE2 GLN A 464 20.137 -6.375 -8.289 1.00 31.13 N ATOM 0 H GLN A 464 16.075 -5.636 -9.876 1.00 51.44 H new ATOM 0 HA GLN A 464 16.879 -2.823 -9.973 1.00 31.23 H new ATOM 0 HB2 GLN A 464 18.152 -5.333 -11.202 1.00 4.35 H new ATOM 0 HB3 GLN A 464 18.813 -3.721 -11.390 1.00 4.35 H new ATOM 0 HG2 GLN A 464 19.657 -3.654 -9.238 1.00 72.13 H new ATOM 0 HG3 GLN A 464 18.348 -4.608 -8.569 1.00 72.13 H new ATOM 0 HE21 GLN A 464 19.723 -6.002 -7.435 1.00 31.13 H new ATOM 0 HE22 GLN A 464 20.717 -7.213 -8.251 1.00 31.13 H new ATOM 1091 N ALA A 465 15.174 -3.986 -12.569 1.00 32.45 N ATOM 1092 CA ALA A 465 14.450 -3.410 -13.777 1.00 31.42 C ATOM 1093 C ALA A 465 13.759 -2.026 -13.507 1.00 64.31 C ATOM 1094 O ALA A 465 13.816 -1.132 -14.358 1.00 42.42 O ATOM 1095 CB ALA A 465 13.440 -4.423 -14.427 1.00 22.01 C ATOM 0 H ALA A 465 14.859 -4.916 -12.292 1.00 32.45 H new ATOM 0 HA ALA A 465 15.245 -3.224 -14.500 1.00 31.42 H new ATOM 0 HB1 ALA A 465 12.955 -3.954 -15.283 1.00 22.01 H new ATOM 0 HB2 ALA A 465 13.978 -5.312 -14.756 1.00 22.01 H new ATOM 0 HB3 ALA A 465 12.686 -4.706 -13.693 1.00 22.01 H new ATOM 1101 N MET A 466 13.154 -1.849 -12.323 1.00 11.35 N ATOM 1102 CA MET A 466 12.393 -0.618 -11.962 1.00 35.43 C ATOM 1103 C MET A 466 13.204 0.367 -11.051 1.00 12.12 C ATOM 1104 O MET A 466 12.610 1.203 -10.368 1.00 23.24 O ATOM 1105 CB MET A 466 11.094 -1.042 -11.238 1.00 61.43 C ATOM 1106 CG MET A 466 9.783 -0.491 -11.821 1.00 15.04 C ATOM 1107 SD MET A 466 9.381 -1.222 -13.414 1.00 4.23 S ATOM 1108 CE MET A 466 7.660 -0.754 -13.547 1.00 11.53 C ATOM 0 H MET A 466 13.172 -2.548 -11.581 1.00 11.35 H new ATOM 0 HA MET A 466 12.179 -0.079 -12.885 1.00 35.43 H new ATOM 0 HB2 MET A 466 11.040 -2.131 -11.241 1.00 61.43 H new ATOM 0 HB3 MET A 466 11.164 -0.729 -10.196 1.00 61.43 H new ATOM 0 HG2 MET A 466 8.969 -0.681 -11.121 1.00 15.04 H new ATOM 0 HG3 MET A 466 9.863 0.591 -11.930 1.00 15.04 H new ATOM 0 HE1 MET A 466 7.252 -1.131 -14.485 1.00 11.53 H new ATOM 0 HE2 MET A 466 7.102 -1.178 -12.712 1.00 11.53 H new ATOM 0 HE3 MET A 466 7.576 0.333 -13.525 1.00 11.53 H new ATOM 1118 N ASN A 467 14.543 0.296 -11.075 1.00 21.34 N ATOM 1119 CA ASN A 467 15.409 1.090 -10.185 1.00 41.01 C ATOM 1120 C ASN A 467 15.621 2.552 -10.723 1.00 24.34 C ATOM 1121 O ASN A 467 16.348 2.698 -11.706 1.00 54.23 O ATOM 1122 CB ASN A 467 16.767 0.351 -10.100 1.00 2.23 C ATOM 1123 CG ASN A 467 17.574 0.745 -8.864 1.00 61.45 C ATOM 1124 OD1 ASN A 467 17.007 1.025 -7.809 1.00 0.52 O ATOM 1125 ND2 ASN A 467 18.908 0.784 -8.973 1.00 1.25 N ATOM 0 H ASN A 467 15.058 -0.313 -11.711 1.00 21.34 H new ATOM 0 HA ASN A 467 14.942 1.185 -9.205 1.00 41.01 H new ATOM 0 HB2 ASN A 467 16.591 -0.725 -10.087 1.00 2.23 H new ATOM 0 HB3 ASN A 467 17.351 0.567 -10.995 1.00 2.23 H new ATOM 0 HD21 ASN A 467 19.478 1.050 -8.170 1.00 1.25 H new ATOM 0 HD22 ASN A 467 19.354 0.547 -9.859 1.00 1.25 H new ATOM 1132 N GLY A 468 14.998 3.660 -10.131 1.00 53.13 N ATOM 1133 CA GLY A 468 15.389 5.002 -10.591 1.00 3.24 C ATOM 1134 C GLY A 468 14.711 5.478 -11.891 1.00 0.23 C ATOM 1135 O GLY A 468 15.212 6.393 -12.547 1.00 1.12 O ATOM 0 H GLY A 468 14.288 3.625 -9.400 1.00 53.13 H new ATOM 0 HA2 GLY A 468 15.165 5.718 -9.801 1.00 3.24 H new ATOM 0 HA3 GLY A 468 16.469 5.017 -10.738 1.00 3.24 H new ATOM 1139 N PHE A 469 13.574 4.889 -12.240 1.00 63.31 N ATOM 1140 CA PHE A 469 13.054 4.892 -13.608 1.00 3.24 C ATOM 1141 C PHE A 469 12.009 6.030 -13.699 1.00 34.13 C ATOM 1142 O PHE A 469 10.984 5.965 -13.006 1.00 34.03 O ATOM 1143 CB PHE A 469 12.512 3.424 -13.893 1.00 43.14 C ATOM 1144 CG PHE A 469 11.473 3.202 -14.981 1.00 4.11 C ATOM 1145 CD1 PHE A 469 11.466 3.877 -16.205 1.00 45.21 C ATOM 1146 CD2 PHE A 469 10.499 2.241 -14.759 1.00 35.14 C ATOM 1147 CE1 PHE A 469 10.501 3.590 -17.156 1.00 21.50 C ATOM 1148 CE2 PHE A 469 9.541 1.957 -15.698 1.00 62.50 C ATOM 1149 CZ PHE A 469 9.535 2.631 -16.901 1.00 41.03 C ATOM 0 H PHE A 469 12.979 4.391 -11.578 1.00 63.31 H new ATOM 0 HA PHE A 469 13.790 5.103 -14.384 1.00 3.24 H new ATOM 0 HB2 PHE A 469 13.373 2.800 -14.133 1.00 43.14 H new ATOM 0 HB3 PHE A 469 12.093 3.045 -12.961 1.00 43.14 H new ATOM 0 HD1 PHE A 469 12.217 4.626 -16.410 1.00 45.21 H new ATOM 0 HD2 PHE A 469 10.495 1.702 -13.823 1.00 35.14 H new ATOM 0 HE1 PHE A 469 10.502 4.116 -18.099 1.00 21.50 H new ATOM 0 HE2 PHE A 469 8.792 1.206 -15.496 1.00 62.50 H new ATOM 0 HZ PHE A 469 8.780 2.412 -17.641 1.00 41.03 H new ATOM 1159 N GLN A 470 12.289 7.108 -14.503 1.00 33.22 N ATOM 1160 CA GLN A 470 11.422 8.296 -14.532 1.00 22.44 C ATOM 1161 C GLN A 470 10.072 8.020 -15.209 1.00 35.45 C ATOM 1162 O GLN A 470 10.029 7.586 -16.361 1.00 54.44 O ATOM 1163 CB GLN A 470 12.139 9.432 -15.294 1.00 55.53 C ATOM 1164 CG GLN A 470 12.831 10.498 -14.421 1.00 52.40 C ATOM 1165 CD GLN A 470 11.894 11.574 -13.854 1.00 74.21 C ATOM 1166 OE1 GLN A 470 10.618 11.260 -13.672 1.00 64.52 O flip ATOM 1167 NE2 GLN A 470 12.326 12.694 -13.601 1.00 3.31 N flip ATOM 0 H GLN A 470 13.098 7.161 -15.122 1.00 33.22 H new ATOM 0 HA GLN A 470 11.225 8.581 -13.498 1.00 22.44 H new ATOM 0 HB2 GLN A 470 12.887 8.987 -15.951 1.00 55.53 H new ATOM 0 HB3 GLN A 470 11.410 9.931 -15.933 1.00 55.53 H new ATOM 0 HG2 GLN A 470 13.332 9.999 -13.592 1.00 52.40 H new ATOM 0 HG3 GLN A 470 13.605 10.986 -15.013 1.00 52.40 H new ATOM 0 HE21 GLN A 470 13.312 12.906 -13.751 1.00 3.31 H new ATOM 0 HE22 GLN A 470 11.699 13.413 -13.240 1.00 3.31 H new ATOM 1176 N ILE A 471 8.973 8.251 -14.462 1.00 61.01 N ATOM 1177 CA ILE A 471 7.616 8.183 -15.019 1.00 62.21 C ATOM 1178 C ILE A 471 6.863 9.495 -14.588 1.00 45.43 C ATOM 1179 O ILE A 471 6.399 9.561 -13.450 1.00 31.44 O ATOM 1180 CB ILE A 471 6.825 6.864 -14.530 1.00 63.21 C ATOM 1181 CG1 ILE A 471 7.561 5.544 -14.957 1.00 40.10 C ATOM 1182 CG2 ILE A 471 5.373 6.836 -15.053 1.00 24.45 C ATOM 1183 CD1 ILE A 471 6.756 4.241 -14.787 1.00 42.54 C ATOM 0 H ILE A 471 9.004 8.486 -13.470 1.00 61.01 H new ATOM 0 HA ILE A 471 7.667 8.111 -16.105 1.00 62.21 H new ATOM 0 HB ILE A 471 6.803 6.913 -13.441 1.00 63.21 H new ATOM 0 HG12 ILE A 471 7.852 5.635 -16.004 1.00 40.10 H new ATOM 0 HG13 ILE A 471 8.480 5.459 -14.377 1.00 40.10 H new ATOM 0 HG21 ILE A 471 4.877 5.932 -14.701 1.00 24.45 H new ATOM 0 HG22 ILE A 471 4.837 7.711 -14.685 1.00 24.45 H new ATOM 0 HG23 ILE A 471 5.379 6.846 -16.143 1.00 24.45 H new ATOM 0 HD11 ILE A 471 7.361 3.395 -15.112 1.00 42.54 H new ATOM 0 HD12 ILE A 471 6.487 4.113 -13.738 1.00 42.54 H new ATOM 0 HD13 ILE A 471 5.849 4.292 -15.390 1.00 42.54 H new ATOM 1195 N GLY A 472 6.788 10.585 -15.438 1.00 12.04 N ATOM 1196 CA GLY A 472 6.086 11.798 -14.989 1.00 62.11 C ATOM 1197 C GLY A 472 7.028 12.763 -14.284 1.00 23.30 C ATOM 1198 O GLY A 472 8.195 12.881 -14.664 1.00 52.04 O ATOM 0 H GLY A 472 7.186 10.628 -16.376 1.00 12.04 H new ATOM 0 HA2 GLY A 472 5.631 12.294 -15.846 1.00 62.11 H new ATOM 0 HA3 GLY A 472 5.276 11.521 -14.314 1.00 62.11 H new ATOM 1202 N MET A 473 6.520 13.459 -13.266 1.00 72.24 N ATOM 1203 CA MET A 473 7.347 14.409 -12.485 1.00 25.12 C ATOM 1204 C MET A 473 8.184 13.742 -11.355 1.00 13.21 C ATOM 1205 O MET A 473 9.087 14.387 -10.821 1.00 22.04 O ATOM 1206 CB MET A 473 6.506 15.604 -11.924 1.00 51.13 C ATOM 1207 CG MET A 473 5.259 15.214 -11.124 1.00 4.15 C ATOM 1208 SD MET A 473 5.330 15.723 -9.391 1.00 51.25 S ATOM 1209 CE MET A 473 5.324 17.512 -9.556 1.00 73.13 C ATOM 0 H MET A 473 5.550 13.391 -12.957 1.00 72.24 H new ATOM 0 HA MET A 473 8.066 14.804 -13.203 1.00 25.12 H new ATOM 0 HB2 MET A 473 7.150 16.211 -11.288 1.00 51.13 H new ATOM 0 HB3 MET A 473 6.199 16.233 -12.759 1.00 51.13 H new ATOM 0 HG2 MET A 473 4.382 15.662 -11.591 1.00 4.15 H new ATOM 0 HG3 MET A 473 5.129 14.133 -11.172 1.00 4.15 H new ATOM 0 HE1 MET A 473 5.045 17.964 -8.604 1.00 73.13 H new ATOM 0 HE2 MET A 473 6.318 17.854 -9.843 1.00 73.13 H new ATOM 0 HE3 MET A 473 4.605 17.804 -10.321 1.00 73.13 H new ATOM 1219 N LYS A 474 7.918 12.465 -10.985 1.00 31.50 N ATOM 1220 CA LYS A 474 8.787 11.779 -9.972 1.00 15.15 C ATOM 1221 C LYS A 474 9.149 10.323 -10.352 1.00 33.43 C ATOM 1222 O LYS A 474 8.391 9.651 -11.054 1.00 63.44 O ATOM 1223 CB LYS A 474 8.171 11.822 -8.500 1.00 35.12 C ATOM 1224 CG LYS A 474 6.630 11.498 -8.318 1.00 73.12 C ATOM 1225 CD LYS A 474 6.163 11.497 -6.810 1.00 62.40 C ATOM 1226 CE LYS A 474 4.633 11.512 -6.656 1.00 50.32 C ATOM 1227 NZ LYS A 474 4.007 12.666 -7.358 1.00 1.44 N ATOM 0 H LYS A 474 7.148 11.903 -11.348 1.00 31.50 H new ATOM 0 HA LYS A 474 9.711 12.356 -9.974 1.00 15.15 H new ATOM 0 HB2 LYS A 474 8.733 11.120 -7.884 1.00 35.12 H new ATOM 0 HB3 LYS A 474 8.351 12.817 -8.094 1.00 35.12 H new ATOM 0 HG2 LYS A 474 6.044 12.232 -8.871 1.00 73.12 H new ATOM 0 HG3 LYS A 474 6.417 10.523 -8.757 1.00 73.12 H new ATOM 0 HD2 LYS A 474 6.564 10.615 -6.311 1.00 62.40 H new ATOM 0 HD3 LYS A 474 6.582 12.367 -6.305 1.00 62.40 H new ATOM 0 HE2 LYS A 474 4.221 10.583 -7.050 1.00 50.32 H new ATOM 0 HE3 LYS A 474 4.377 11.551 -5.597 1.00 50.32 H new ATOM 0 HZ1 LYS A 474 3.052 12.827 -6.978 1.00 1.44 H new ATOM 0 HZ2 LYS A 474 4.586 13.517 -7.212 1.00 1.44 H new ATOM 0 HZ3 LYS A 474 3.944 12.461 -8.376 1.00 1.44 H new ATOM 1241 N ARG A 475 10.336 9.842 -9.875 1.00 24.42 N ATOM 1242 CA ARG A 475 10.795 8.472 -10.178 1.00 33.45 C ATOM 1243 C ARG A 475 10.611 7.555 -8.956 1.00 13.32 C ATOM 1244 O ARG A 475 10.731 8.016 -7.818 1.00 35.52 O ATOM 1245 CB ARG A 475 12.301 8.499 -10.628 1.00 32.33 C ATOM 1246 CG ARG A 475 13.438 8.648 -9.535 1.00 21.33 C ATOM 1247 CD ARG A 475 13.465 9.948 -8.670 1.00 65.24 C ATOM 1248 NE ARG A 475 14.846 10.351 -8.375 1.00 32.41 N ATOM 1249 CZ ARG A 475 15.190 11.461 -7.703 1.00 72.44 C ATOM 1250 NH1 ARG A 475 14.262 12.288 -7.231 1.00 55.22 N ATOM 1251 NH2 ARG A 475 16.478 11.735 -7.498 1.00 23.32 N ATOM 0 H ARG A 475 10.975 10.381 -9.290 1.00 24.42 H new ATOM 0 HA ARG A 475 10.192 8.073 -10.993 1.00 33.45 H new ATOM 0 HB2 ARG A 475 12.495 7.578 -11.177 1.00 32.33 H new ATOM 0 HB3 ARG A 475 12.416 9.321 -11.334 1.00 32.33 H new ATOM 0 HG2 ARG A 475 13.361 7.798 -8.857 1.00 21.33 H new ATOM 0 HG3 ARG A 475 14.400 8.565 -10.042 1.00 21.33 H new ATOM 0 HD2 ARG A 475 12.952 10.752 -9.198 1.00 65.24 H new ATOM 0 HD3 ARG A 475 12.923 9.782 -7.739 1.00 65.24 H new ATOM 0 HE ARG A 475 15.597 9.744 -8.704 1.00 32.41 H new ATOM 0 HH11 ARG A 475 13.274 12.083 -7.378 1.00 55.22 H new ATOM 0 HH12 ARG A 475 14.538 13.128 -6.722 1.00 55.22 H new ATOM 0 HH21 ARG A 475 17.196 11.103 -7.851 1.00 23.32 H new ATOM 0 HH22 ARG A 475 16.745 12.577 -6.988 1.00 23.32 H new ATOM 1265 N LEU A 476 10.298 6.271 -9.173 1.00 25.33 N ATOM 1266 CA LEU A 476 10.136 5.361 -8.024 1.00 52.33 C ATOM 1267 C LEU A 476 11.370 4.403 -7.843 1.00 34.34 C ATOM 1268 O LEU A 476 11.619 3.567 -8.704 1.00 1.23 O ATOM 1269 CB LEU A 476 8.721 4.624 -8.057 1.00 51.32 C ATOM 1270 CG LEU A 476 8.295 3.660 -9.225 1.00 62.12 C ATOM 1271 CD1 LEU A 476 6.944 3.012 -8.904 1.00 30.55 C ATOM 1272 CD2 LEU A 476 8.164 4.343 -10.596 1.00 22.42 C ATOM 0 H LEU A 476 10.156 5.849 -10.091 1.00 25.33 H new ATOM 0 HA LEU A 476 10.126 5.963 -7.116 1.00 52.33 H new ATOM 0 HB2 LEU A 476 8.649 4.047 -7.135 1.00 51.32 H new ATOM 0 HB3 LEU A 476 7.962 5.405 -8.005 1.00 51.32 H new ATOM 0 HG LEU A 476 9.099 2.927 -9.294 1.00 62.12 H new ATOM 0 HD11 LEU A 476 6.657 2.346 -9.718 1.00 30.55 H new ATOM 0 HD12 LEU A 476 7.025 2.440 -7.979 1.00 30.55 H new ATOM 0 HD13 LEU A 476 6.187 3.788 -8.786 1.00 30.55 H new ATOM 0 HD21 LEU A 476 7.867 3.606 -11.343 1.00 22.42 H new ATOM 0 HD22 LEU A 476 7.410 5.128 -10.541 1.00 22.42 H new ATOM 0 HD23 LEU A 476 9.122 4.780 -10.878 1.00 22.42 H new ATOM 1284 N LYS A 477 12.187 4.549 -6.728 1.00 62.12 N ATOM 1285 CA LYS A 477 13.393 3.669 -6.541 1.00 51.30 C ATOM 1286 C LYS A 477 13.146 2.580 -5.462 1.00 64.20 C ATOM 1287 O LYS A 477 12.495 2.870 -4.463 1.00 44.31 O ATOM 1288 CB LYS A 477 14.621 4.532 -6.150 1.00 64.35 C ATOM 1289 CG LYS A 477 15.944 3.738 -6.064 1.00 20.30 C ATOM 1290 CD LYS A 477 17.168 4.580 -5.669 1.00 13.22 C ATOM 1291 CE LYS A 477 17.086 5.112 -4.241 1.00 0.41 C ATOM 1292 NZ LYS A 477 18.386 5.690 -3.802 1.00 25.41 N ATOM 0 H LYS A 477 12.036 5.233 -5.987 1.00 62.12 H new ATOM 0 HA LYS A 477 13.587 3.163 -7.487 1.00 51.30 H new ATOM 0 HB2 LYS A 477 14.737 5.333 -6.880 1.00 64.35 H new ATOM 0 HB3 LYS A 477 14.429 5.004 -5.186 1.00 64.35 H new ATOM 0 HG2 LYS A 477 15.823 2.933 -5.339 1.00 20.30 H new ATOM 0 HG3 LYS A 477 16.136 3.271 -7.030 1.00 20.30 H new ATOM 0 HD2 LYS A 477 18.069 3.975 -5.775 1.00 13.22 H new ATOM 0 HD3 LYS A 477 17.264 5.418 -6.359 1.00 13.22 H new ATOM 0 HE2 LYS A 477 16.308 5.873 -4.179 1.00 0.41 H new ATOM 0 HE3 LYS A 477 16.798 4.306 -3.566 1.00 0.41 H new ATOM 0 HZ1 LYS A 477 18.298 6.043 -2.828 1.00 25.41 H new ATOM 0 HZ2 LYS A 477 19.122 4.956 -3.839 1.00 25.41 H new ATOM 0 HZ3 LYS A 477 18.647 6.475 -4.432 1.00 25.41 H new ATOM 1306 N VAL A 478 13.659 1.323 -5.662 1.00 52.33 N ATOM 1307 CA VAL A 478 13.222 0.178 -4.842 1.00 22.42 C ATOM 1308 C VAL A 478 14.377 -0.838 -4.530 1.00 51.14 C ATOM 1309 O VAL A 478 15.342 -0.928 -5.299 1.00 75.31 O ATOM 1310 CB VAL A 478 11.955 -0.473 -5.484 1.00 45.35 C ATOM 1311 CG1 VAL A 478 12.097 -1.969 -5.725 1.00 73.04 C ATOM 1312 CG2 VAL A 478 10.737 -0.170 -4.640 1.00 44.11 C ATOM 0 H VAL A 478 14.358 1.096 -6.370 1.00 52.33 H new ATOM 0 HA VAL A 478 12.938 0.547 -3.856 1.00 22.42 H new ATOM 0 HB VAL A 478 11.835 -0.027 -6.471 1.00 45.35 H new ATOM 0 HG11 VAL A 478 11.181 -2.354 -6.172 1.00 73.04 H new ATOM 0 HG12 VAL A 478 12.934 -2.151 -6.399 1.00 73.04 H new ATOM 0 HG13 VAL A 478 12.278 -2.475 -4.777 1.00 73.04 H new ATOM 0 HG21 VAL A 478 9.857 -0.627 -5.093 1.00 44.11 H new ATOM 0 HG22 VAL A 478 10.879 -0.574 -3.638 1.00 44.11 H new ATOM 0 HG23 VAL A 478 10.595 0.909 -4.580 1.00 44.11 H new ATOM 1322 N GLN A 479 14.256 -1.609 -3.403 1.00 72.31 N ATOM 1323 CA GLN A 479 15.370 -2.449 -2.894 1.00 64.03 C ATOM 1324 C GLN A 479 14.905 -3.676 -2.022 1.00 71.25 C ATOM 1325 O GLN A 479 13.713 -3.783 -1.717 1.00 65.45 O ATOM 1326 CB GLN A 479 16.331 -1.596 -2.080 1.00 12.41 C ATOM 1327 CG GLN A 479 17.788 -1.938 -2.315 1.00 65.30 C ATOM 1328 CD GLN A 479 18.677 -1.459 -1.193 1.00 4.44 C ATOM 1329 OE1 GLN A 479 19.178 -0.339 -1.212 1.00 15.31 O ATOM 1330 NE2 GLN A 479 18.871 -2.318 -0.206 1.00 31.34 N ATOM 0 H GLN A 479 13.406 -1.660 -2.842 1.00 72.31 H new ATOM 0 HA GLN A 479 15.859 -2.860 -3.777 1.00 64.03 H new ATOM 0 HB2 GLN A 479 16.168 -0.546 -2.324 1.00 12.41 H new ATOM 0 HB3 GLN A 479 16.104 -1.716 -1.021 1.00 12.41 H new ATOM 0 HG2 GLN A 479 17.893 -3.018 -2.423 1.00 65.30 H new ATOM 0 HG3 GLN A 479 18.117 -1.491 -3.253 1.00 65.30 H new ATOM 0 HE21 GLN A 479 18.432 -3.238 -0.237 1.00 31.34 H new ATOM 0 HE22 GLN A 479 19.460 -2.060 0.586 1.00 31.34 H new ATOM 1339 N LEU A 480 15.884 -4.604 -1.653 1.00 31.12 N ATOM 1340 CA LEU A 480 15.667 -5.708 -0.599 1.00 55.34 C ATOM 1341 C LEU A 480 15.344 -4.968 0.744 1.00 64.43 C ATOM 1342 O LEU A 480 15.836 -3.838 0.908 1.00 33.53 O ATOM 1343 CB LEU A 480 17.000 -6.561 -0.372 1.00 11.54 C ATOM 1344 CG LEU A 480 16.995 -8.130 -0.106 1.00 53.53 C ATOM 1345 CD1 LEU A 480 17.230 -8.895 -1.409 1.00 1.33 C ATOM 1346 CD2 LEU A 480 18.148 -8.434 0.842 1.00 70.34 C ATOM 0 H LEU A 480 16.819 -4.613 -2.061 1.00 31.12 H new ATOM 0 HA LEU A 480 14.875 -6.383 -0.924 1.00 55.34 H new ATOM 0 HB2 LEU A 480 17.623 -6.399 -1.251 1.00 11.54 H new ATOM 0 HB3 LEU A 480 17.517 -6.106 0.473 1.00 11.54 H new ATOM 0 HG LEU A 480 16.034 -8.431 0.311 1.00 53.53 H new ATOM 0 HD11 LEU A 480 17.223 -9.966 -1.208 1.00 1.33 H new ATOM 0 HD12 LEU A 480 16.440 -8.654 -2.120 1.00 1.33 H new ATOM 0 HD13 LEU A 480 18.195 -8.611 -1.829 1.00 1.33 H new ATOM 0 HD21 LEU A 480 18.177 -9.504 1.048 1.00 70.34 H new ATOM 0 HD22 LEU A 480 19.088 -8.128 0.382 1.00 70.34 H new ATOM 0 HD23 LEU A 480 18.006 -7.888 1.775 1.00 70.34 H new ATOM 1358 N LYS A 481 14.548 -5.564 1.704 1.00 50.04 N ATOM 1359 CA LYS A 481 14.082 -4.781 2.880 1.00 72.14 C ATOM 1360 C LYS A 481 15.242 -4.443 3.803 1.00 70.32 C ATOM 1361 O LYS A 481 15.927 -5.308 4.369 1.00 52.42 O ATOM 1362 CB LYS A 481 12.789 -5.361 3.622 1.00 63.51 C ATOM 1363 CG LYS A 481 12.869 -6.292 4.939 1.00 50.42 C ATOM 1364 CD LYS A 481 13.375 -5.573 6.239 1.00 73.42 C ATOM 1365 CE LYS A 481 13.073 -6.337 7.553 1.00 2.23 C ATOM 1366 NZ LYS A 481 13.566 -5.583 8.727 1.00 32.20 N ATOM 0 H LYS A 481 14.237 -6.535 1.679 1.00 50.04 H new ATOM 0 HA LYS A 481 13.703 -3.839 2.484 1.00 72.14 H new ATOM 0 HB2 LYS A 481 12.175 -4.501 3.889 1.00 63.51 H new ATOM 0 HB3 LYS A 481 12.234 -5.929 2.876 1.00 63.51 H new ATOM 0 HG2 LYS A 481 11.879 -6.704 5.133 1.00 50.42 H new ATOM 0 HG3 LYS A 481 13.529 -7.134 4.729 1.00 50.42 H new ATOM 0 HD2 LYS A 481 14.452 -5.422 6.160 1.00 73.42 H new ATOM 0 HD3 LYS A 481 12.918 -4.585 6.294 1.00 73.42 H new ATOM 0 HE2 LYS A 481 11.999 -6.500 7.645 1.00 2.23 H new ATOM 0 HE3 LYS A 481 13.543 -7.320 7.523 1.00 2.23 H new ATOM 0 HZ1 LYS A 481 13.353 -6.114 9.595 1.00 32.20 H new ATOM 0 HZ2 LYS A 481 14.594 -5.449 8.647 1.00 32.20 H new ATOM 0 HZ3 LYS A 481 13.098 -4.655 8.765 1.00 32.20 H new ATOM 1380 N ARG A 482 15.507 -3.154 3.806 1.00 60.41 N ATOM 1381 CA ARG A 482 16.515 -2.528 4.611 1.00 63.12 C ATOM 1382 C ARG A 482 15.829 -1.890 5.827 1.00 44.04 C ATOM 1383 O ARG A 482 14.590 -1.790 5.811 1.00 34.42 O ATOM 1384 CB ARG A 482 17.286 -1.523 3.714 1.00 74.42 C ATOM 1385 CG ARG A 482 16.583 -0.193 3.317 1.00 54.02 C ATOM 1386 CD ARG A 482 15.561 -0.274 2.158 1.00 45.51 C ATOM 1387 NE ARG A 482 14.990 1.047 1.848 1.00 43.00 N ATOM 1388 CZ ARG A 482 15.251 1.771 0.742 1.00 33.43 C ATOM 1389 NH1 ARG A 482 16.073 1.312 -0.208 1.00 44.55 N ATOM 1390 NH2 ARG A 482 14.678 2.953 0.573 1.00 12.43 N ATOM 0 H ARG A 482 15.000 -2.492 3.219 1.00 60.41 H new ATOM 0 HA ARG A 482 17.249 -3.233 5.001 1.00 63.12 H new ATOM 0 HB2 ARG A 482 18.215 -1.268 4.224 1.00 74.42 H new ATOM 0 HB3 ARG A 482 17.559 -2.041 2.795 1.00 74.42 H new ATOM 0 HG2 ARG A 482 16.072 0.199 4.196 1.00 54.02 H new ATOM 0 HG3 ARG A 482 17.351 0.531 3.045 1.00 54.02 H new ATOM 0 HD2 ARG A 482 16.047 -0.679 1.270 1.00 45.51 H new ATOM 0 HD3 ARG A 482 14.760 -0.964 2.425 1.00 45.51 H new ATOM 0 HE ARG A 482 14.343 1.448 2.527 1.00 43.00 H new ATOM 0 HH11 ARG A 482 16.515 0.399 -0.102 1.00 44.55 H new ATOM 0 HH12 ARG A 482 16.258 1.875 -1.038 1.00 44.55 H new ATOM 0 HH21 ARG A 482 14.039 3.316 1.280 1.00 12.43 H new ATOM 0 HH22 ARG A 482 14.876 3.501 -0.264 1.00 12.43 H new ATOM 1404 N SER A 483 16.623 -1.550 6.886 1.00 73.43 N ATOM 1405 CA SER A 483 16.117 -1.046 8.201 1.00 63.12 C ATOM 1406 C SER A 483 14.916 -0.063 8.083 1.00 41.35 C ATOM 1407 O SER A 483 14.995 0.941 7.360 1.00 15.50 O ATOM 1408 CB SER A 483 17.297 -0.376 8.935 1.00 63.40 C ATOM 1409 OG SER A 483 18.378 -1.281 9.060 1.00 70.20 O ATOM 0 H SER A 483 17.640 -1.619 6.851 1.00 73.43 H new ATOM 0 HA SER A 483 15.730 -1.898 8.760 1.00 63.12 H new ATOM 0 HB2 SER A 483 17.618 0.510 8.388 1.00 63.40 H new ATOM 0 HB3 SER A 483 16.977 -0.043 9.922 1.00 63.40 H new ATOM 0 HG SER A 483 19.120 -0.842 9.526 1.00 70.20 H new