USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 546 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 433 SER OG : rot 160:sc= 0.596 USER MOD Set 1.2: A 452 SER OG : rot -130:sc= 0.683 USER MOD Single : A 398 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.29) USER MOD Single : A 399 LYS NZ :NH3+ 163:sc= -0.0707 (180deg=-0.388) USER MOD Single : A 406 ASN : amide:sc= 0 X(o=0,f=0.22) USER MOD Single : A 410 TYR OH : rot 180:sc= 0 USER MOD Single : A 411 HIS : no HD1:sc= -0.0514 X(o=-0.051,f=-0.22) USER MOD Single : A 414 GLN : amide:sc= -1.77 K(o=-1.8,f=-2.8!) USER MOD Single : A 419 GLN : amide:sc= -0.528 X(o=-0.53,f=-0.13) USER MOD Single : A 423 GLN : amide:sc= 0.417 X(o=0.42,f=0) USER MOD Single : A 424 MET CE :methyl -163:sc=-0.00188 (180deg=-0.592) USER MOD Single : A 426 MET CE :methyl -135:sc= -0.0255 (180deg=-1.94!) USER MOD Single : A 430 ASN : amide:sc= 0.0021 K(o=0.0021,f=-2.2!) USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 453 TYR OH : rot 26:sc= 0.65 USER MOD Single : A 455 ASN : amide:sc= -1.49 K(o=-1.5,f=-0.0039) USER MOD Single : A 458 SER OG : rot 180:sc= 0 USER MOD Single : A 460 GLN : amide:sc= -0.293 X(o=-0.29,f=-0.29) USER MOD Single : A 464 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 466 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 467 ASN : amide:sc= 0.577 K(o=0.58,f=-0.16) USER MOD Single : A 470 GLN : amide:sc= -1.3 K(o=-1.3,f=0) USER MOD Single : A 473 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 474 LYS NZ :NH3+ 163:sc= 0.417 (180deg=0.17) USER MOD Single : A 477 LYS NZ :NH3+ -172:sc= 0.033 (180deg=0.0249) USER MOD Single : A 479 GLN : amide:sc= 0.454 K(o=0.45,f=-2) USER MOD ----------------------------------------------------------------- ATOM 56 N GLN A 398 1.193 6.763 7.710 1.00 12.21 N ATOM 57 CA GLN A 398 0.362 7.499 6.742 1.00 42.14 C ATOM 58 C GLN A 398 -0.027 8.869 7.336 1.00 25.53 C ATOM 59 O GLN A 398 -0.408 8.923 8.509 1.00 14.21 O ATOM 60 CB GLN A 398 -0.869 6.595 6.274 1.00 24.30 C ATOM 61 CG GLN A 398 -2.279 7.249 5.902 1.00 45.33 C ATOM 62 CD GLN A 398 -3.140 7.809 7.054 1.00 53.21 C ATOM 63 OE1 GLN A 398 -3.076 7.328 8.185 1.00 12.02 O ATOM 64 NE2 GLN A 398 -3.980 8.818 6.746 1.00 42.13 N ATOM 0 HA GLN A 398 0.920 7.715 5.831 1.00 42.14 H new ATOM 0 HB2 GLN A 398 -0.538 6.033 5.401 1.00 24.30 H new ATOM 0 HB3 GLN A 398 -1.053 5.871 7.068 1.00 24.30 H new ATOM 0 HG2 GLN A 398 -2.096 8.059 5.196 1.00 45.33 H new ATOM 0 HG3 GLN A 398 -2.869 6.497 5.378 1.00 45.33 H new ATOM 0 HE21 GLN A 398 -4.004 9.190 5.797 1.00 42.13 H new ATOM 0 HE22 GLN A 398 -4.591 9.209 7.463 1.00 42.13 H new ATOM 73 N LYS A 399 0.124 9.961 6.524 1.00 13.14 N ATOM 74 CA LYS A 399 -0.229 11.340 6.860 1.00 22.03 C ATOM 75 C LYS A 399 0.216 12.266 5.693 1.00 2.32 C ATOM 76 O LYS A 399 1.401 12.559 5.512 1.00 61.34 O ATOM 77 CB LYS A 399 0.219 11.862 8.281 1.00 4.41 C ATOM 78 CG LYS A 399 1.693 12.206 8.582 1.00 70.13 C ATOM 79 CD LYS A 399 2.648 11.059 8.281 1.00 24.44 C ATOM 80 CE LYS A 399 4.083 11.303 8.805 1.00 50.41 C ATOM 81 NZ LYS A 399 4.084 11.510 10.286 1.00 42.34 N ATOM 0 H LYS A 399 0.512 9.879 5.584 1.00 13.14 H new ATOM 0 HA LYS A 399 -1.313 11.362 6.967 1.00 22.03 H new ATOM 0 HB2 LYS A 399 -0.365 12.759 8.489 1.00 4.41 H new ATOM 0 HB3 LYS A 399 -0.086 11.108 9.007 1.00 4.41 H new ATOM 0 HG2 LYS A 399 1.984 13.077 7.994 1.00 70.13 H new ATOM 0 HG3 LYS A 399 1.788 12.484 9.632 1.00 70.13 H new ATOM 0 HD2 LYS A 399 2.257 10.144 8.726 1.00 24.44 H new ATOM 0 HD3 LYS A 399 2.685 10.899 7.203 1.00 24.44 H new ATOM 0 HE2 LYS A 399 4.716 10.452 8.553 1.00 50.41 H new ATOM 0 HE3 LYS A 399 4.511 12.176 8.312 1.00 50.41 H new ATOM 0 HZ1 LYS A 399 5.049 11.385 10.653 1.00 42.34 H new ATOM 0 HZ2 LYS A 399 3.753 12.472 10.502 1.00 42.34 H new ATOM 0 HZ3 LYS A 399 3.450 10.817 10.734 1.00 42.34 H new ATOM 95 N GLU A 400 -0.751 12.600 4.835 1.00 24.41 N ATOM 96 CA GLU A 400 -0.550 13.552 3.691 1.00 32.00 C ATOM 97 C GLU A 400 -0.299 15.023 4.191 1.00 31.42 C ATOM 98 O GLU A 400 -0.562 15.308 5.357 1.00 71.41 O ATOM 99 CB GLU A 400 -1.699 13.518 2.632 1.00 64.15 C ATOM 100 CG GLU A 400 -3.108 13.792 3.177 1.00 64.21 C ATOM 101 CD GLU A 400 -3.701 15.109 2.714 1.00 50.34 C ATOM 102 OE1 GLU A 400 -3.445 16.150 3.348 1.00 32.44 O ATOM 103 OE2 GLU A 400 -4.467 15.091 1.730 1.00 73.30 O ATOM 0 H GLU A 400 -1.700 12.231 4.896 1.00 24.41 H new ATOM 0 HA GLU A 400 0.347 13.199 3.183 1.00 32.00 H new ATOM 0 HB2 GLU A 400 -1.478 14.253 1.858 1.00 64.15 H new ATOM 0 HB3 GLU A 400 -1.698 12.540 2.152 1.00 64.15 H new ATOM 0 HG2 GLU A 400 -3.769 12.980 2.873 1.00 64.21 H new ATOM 0 HG3 GLU A 400 -3.074 13.783 4.266 1.00 64.21 H new ATOM 110 N GLY A 401 0.236 15.943 3.319 1.00 51.40 N ATOM 111 CA GLY A 401 0.723 17.254 3.793 1.00 31.52 C ATOM 112 C GLY A 401 -0.149 18.418 3.316 1.00 44.11 C ATOM 113 O GLY A 401 -1.042 18.834 4.046 1.00 53.55 O ATOM 0 H GLY A 401 0.332 15.792 2.315 1.00 51.40 H new ATOM 0 HA2 GLY A 401 0.755 17.252 4.883 1.00 31.52 H new ATOM 0 HA3 GLY A 401 1.745 17.405 3.444 1.00 31.52 H new ATOM 117 N PRO A 402 0.050 19.013 2.103 1.00 2.42 N ATOM 118 CA PRO A 402 -0.836 20.080 1.667 1.00 54.32 C ATOM 119 C PRO A 402 -2.040 19.552 0.845 1.00 52.32 C ATOM 120 O PRO A 402 -2.022 18.418 0.345 1.00 22.33 O ATOM 121 CB PRO A 402 0.131 20.927 0.840 1.00 65.51 C ATOM 122 CG PRO A 402 0.894 19.921 0.093 1.00 30.20 C ATOM 123 CD PRO A 402 1.121 18.780 1.075 1.00 3.11 C ATOM 0 HA PRO A 402 -1.324 20.625 2.475 1.00 54.32 H new ATOM 0 HB2 PRO A 402 -0.398 21.609 0.174 1.00 65.51 H new ATOM 0 HB3 PRO A 402 0.777 21.536 1.473 1.00 65.51 H new ATOM 0 HG2 PRO A 402 0.344 19.581 -0.785 1.00 30.20 H new ATOM 0 HG3 PRO A 402 1.840 20.329 -0.262 1.00 30.20 H new ATOM 0 HD2 PRO A 402 1.018 17.806 0.596 1.00 3.11 H new ATOM 0 HD3 PRO A 402 2.118 18.815 1.514 1.00 3.11 H new ATOM 131 N GLU A 403 -3.107 20.341 0.813 1.00 34.22 N ATOM 132 CA GLU A 403 -4.238 20.135 -0.080 1.00 62.43 C ATOM 133 C GLU A 403 -3.778 20.066 -1.574 1.00 34.12 C ATOM 134 O GLU A 403 -3.283 21.044 -2.152 1.00 1.31 O ATOM 135 CB GLU A 403 -5.283 21.269 0.187 1.00 72.44 C ATOM 136 CG GLU A 403 -5.063 22.697 -0.397 1.00 43.42 C ATOM 137 CD GLU A 403 -6.322 23.206 -1.065 1.00 43.22 C ATOM 138 OE1 GLU A 403 -7.301 23.455 -0.329 1.00 13.05 O ATOM 139 OE2 GLU A 403 -6.333 23.371 -2.301 1.00 21.32 O ATOM 0 H GLU A 403 -3.211 21.156 1.418 1.00 34.22 H new ATOM 0 HA GLU A 403 -4.710 19.173 0.120 1.00 62.43 H new ATOM 0 HB2 GLU A 403 -6.245 20.914 -0.183 1.00 72.44 H new ATOM 0 HB3 GLU A 403 -5.376 21.374 1.268 1.00 72.44 H new ATOM 0 HG2 GLU A 403 -4.768 23.379 0.400 1.00 43.42 H new ATOM 0 HG3 GLU A 403 -4.246 22.678 -1.118 1.00 43.42 H new ATOM 146 N GLY A 404 -3.846 18.867 -2.171 1.00 75.34 N ATOM 147 CA GLY A 404 -3.699 18.750 -3.601 1.00 62.03 C ATOM 148 C GLY A 404 -2.850 17.547 -4.063 1.00 75.42 C ATOM 149 O GLY A 404 -2.640 17.358 -5.261 1.00 52.22 O ATOM 0 H GLY A 404 -4.000 17.986 -1.681 1.00 75.34 H new ATOM 0 HA2 GLY A 404 -4.689 18.673 -4.050 1.00 62.03 H new ATOM 0 HA3 GLY A 404 -3.247 19.665 -3.983 1.00 62.03 H new ATOM 153 N ALA A 405 -2.342 16.745 -3.112 1.00 4.44 N ATOM 154 CA ALA A 405 -1.665 15.468 -3.427 1.00 43.50 C ATOM 155 C ALA A 405 -2.298 14.304 -2.579 1.00 54.51 C ATOM 156 O ALA A 405 -2.132 14.301 -1.357 1.00 43.23 O ATOM 157 CB ALA A 405 -0.199 15.633 -3.030 1.00 24.03 C ATOM 0 H ALA A 405 -2.386 16.956 -2.115 1.00 4.44 H new ATOM 0 HA ALA A 405 -1.769 15.226 -4.485 1.00 43.50 H new ATOM 0 HB1 ALA A 405 0.342 14.712 -3.245 1.00 24.03 H new ATOM 0 HB2 ALA A 405 0.241 16.453 -3.597 1.00 24.03 H new ATOM 0 HB3 ALA A 405 -0.133 15.852 -1.964 1.00 24.03 H new ATOM 163 N ASN A 406 -3.019 13.340 -3.221 1.00 1.23 N ATOM 164 CA ASN A 406 -3.249 11.919 -2.664 1.00 41.51 C ATOM 165 C ASN A 406 -3.538 10.845 -3.782 1.00 41.40 C ATOM 166 O ASN A 406 -4.545 10.944 -4.470 1.00 11.44 O ATOM 167 CB ASN A 406 -4.384 11.976 -1.551 1.00 13.24 C ATOM 168 CG ASN A 406 -5.500 12.973 -1.827 1.00 43.24 C ATOM 169 OD1 ASN A 406 -5.945 13.144 -2.965 1.00 63.22 O ATOM 170 ND2 ASN A 406 -5.944 13.688 -0.794 1.00 71.05 N ATOM 0 H ASN A 406 -3.462 13.494 -4.127 1.00 1.23 H new ATOM 0 HA ASN A 406 -2.321 11.577 -2.205 1.00 41.51 H new ATOM 0 HB2 ASN A 406 -4.821 10.983 -1.447 1.00 13.24 H new ATOM 0 HB3 ASN A 406 -3.923 12.224 -0.595 1.00 13.24 H new ATOM 0 HD21 ASN A 406 -6.667 14.394 -0.935 1.00 71.05 H new ATOM 0 HD22 ASN A 406 -5.561 13.529 0.138 1.00 71.05 H new ATOM 177 N LEU A 407 -2.645 9.807 -3.977 1.00 52.11 N ATOM 178 CA LEU A 407 -2.841 8.767 -5.017 1.00 72.12 C ATOM 179 C LEU A 407 -3.099 7.326 -4.383 1.00 31.43 C ATOM 180 O LEU A 407 -2.197 6.825 -3.703 1.00 73.51 O ATOM 181 CB LEU A 407 -1.509 8.759 -5.820 1.00 64.31 C ATOM 182 CG LEU A 407 -1.214 9.946 -6.755 1.00 25.35 C ATOM 183 CD1 LEU A 407 -2.458 10.509 -7.441 1.00 73.11 C ATOM 184 CD2 LEU A 407 -0.460 11.029 -6.022 1.00 24.45 C ATOM 0 H LEU A 407 -1.796 9.685 -3.424 1.00 52.11 H new ATOM 0 HA LEU A 407 -3.714 8.986 -5.632 1.00 72.12 H new ATOM 0 HB2 LEU A 407 -0.690 8.688 -5.105 1.00 64.31 H new ATOM 0 HB3 LEU A 407 -1.488 7.849 -6.420 1.00 64.31 H new ATOM 0 HG LEU A 407 -0.585 9.555 -7.555 1.00 25.35 H new ATOM 0 HD11 LEU A 407 -2.173 11.342 -8.084 1.00 73.11 H new ATOM 0 HD12 LEU A 407 -2.926 9.730 -8.043 1.00 73.11 H new ATOM 0 HD13 LEU A 407 -3.163 10.857 -6.687 1.00 73.11 H new ATOM 0 HD21 LEU A 407 -0.262 11.858 -6.701 1.00 24.45 H new ATOM 0 HD22 LEU A 407 -1.057 11.383 -5.182 1.00 24.45 H new ATOM 0 HD23 LEU A 407 0.484 10.629 -5.653 1.00 24.45 H new ATOM 196 N PHE A 408 -4.309 6.652 -4.553 1.00 41.52 N ATOM 197 CA PHE A 408 -4.478 5.221 -4.048 1.00 61.23 C ATOM 198 C PHE A 408 -4.577 4.187 -5.229 1.00 71.53 C ATOM 199 O PHE A 408 -4.924 4.559 -6.356 1.00 24.12 O ATOM 200 CB PHE A 408 -5.648 4.994 -3.005 1.00 22.33 C ATOM 201 CG PHE A 408 -5.580 5.841 -1.732 1.00 4.15 C ATOM 202 CD1 PHE A 408 -4.366 6.223 -1.169 1.00 41.23 C ATOM 203 CD2 PHE A 408 -6.743 6.262 -1.111 1.00 51.41 C ATOM 204 CE1 PHE A 408 -4.316 7.006 -0.019 1.00 23.34 C ATOM 205 CE2 PHE A 408 -6.698 7.046 0.034 1.00 42.43 C ATOM 206 CZ PHE A 408 -5.487 7.418 0.573 1.00 22.24 C ATOM 0 H PHE A 408 -5.132 7.048 -5.007 1.00 41.52 H new ATOM 0 HA PHE A 408 -3.561 5.040 -3.487 1.00 61.23 H new ATOM 0 HB2 PHE A 408 -6.597 5.195 -3.502 1.00 22.33 H new ATOM 0 HB3 PHE A 408 -5.655 3.942 -2.719 1.00 22.33 H new ATOM 0 HD1 PHE A 408 -3.444 5.906 -1.634 1.00 41.23 H new ATOM 0 HD2 PHE A 408 -7.700 5.976 -1.523 1.00 51.41 H new ATOM 0 HE1 PHE A 408 -3.364 7.288 0.406 1.00 23.34 H new ATOM 0 HE2 PHE A 408 -7.617 7.365 0.504 1.00 42.43 H new ATOM 0 HZ PHE A 408 -5.457 8.033 1.460 1.00 22.24 H new ATOM 216 N ILE A 409 -4.287 2.877 -4.942 1.00 42.53 N ATOM 217 CA ILE A 409 -3.961 1.824 -6.022 1.00 73.31 C ATOM 218 C ILE A 409 -5.123 0.728 -6.058 1.00 12.31 C ATOM 219 O ILE A 409 -5.310 0.054 -5.051 1.00 61.22 O ATOM 220 CB ILE A 409 -2.496 1.085 -5.819 1.00 63.14 C ATOM 221 CG1 ILE A 409 -1.214 1.982 -6.165 1.00 12.44 C ATOM 222 CG2 ILE A 409 -2.323 -0.247 -6.636 1.00 23.33 C ATOM 223 CD1 ILE A 409 -1.142 3.487 -5.829 1.00 31.31 C ATOM 0 H ILE A 409 -4.267 2.507 -3.992 1.00 42.53 H new ATOM 0 HA ILE A 409 -3.899 2.358 -6.970 1.00 73.31 H new ATOM 0 HB ILE A 409 -2.526 0.886 -4.748 1.00 63.14 H new ATOM 0 HG12 ILE A 409 -0.362 1.511 -5.674 1.00 12.44 H new ATOM 0 HG13 ILE A 409 -1.052 1.894 -7.239 1.00 12.44 H new ATOM 0 HG21 ILE A 409 -1.335 -0.665 -6.445 1.00 23.33 H new ATOM 0 HG22 ILE A 409 -3.086 -0.963 -6.330 1.00 23.33 H new ATOM 0 HG23 ILE A 409 -2.429 -0.037 -7.700 1.00 23.33 H new ATOM 0 HD11 ILE A 409 -0.182 3.887 -6.155 1.00 31.31 H new ATOM 0 HD12 ILE A 409 -1.947 4.013 -6.342 1.00 31.31 H new ATOM 0 HD13 ILE A 409 -1.246 3.625 -4.753 1.00 31.31 H new ATOM 235 N TYR A 410 -5.937 0.567 -7.166 1.00 11.55 N ATOM 236 CA TYR A 410 -6.861 -0.604 -7.322 1.00 1.41 C ATOM 237 C TYR A 410 -6.187 -1.669 -8.216 1.00 53.12 C ATOM 238 O TYR A 410 -5.486 -1.294 -9.162 1.00 14.41 O ATOM 239 CB TYR A 410 -8.196 -0.136 -8.004 1.00 54.43 C ATOM 240 CG TYR A 410 -9.380 0.294 -7.161 1.00 41.42 C ATOM 241 CD1 TYR A 410 -9.300 1.017 -5.971 1.00 4.51 C ATOM 242 CD2 TYR A 410 -10.642 -0.030 -7.630 1.00 42.54 C ATOM 243 CE1 TYR A 410 -10.447 1.384 -5.291 1.00 11.00 C ATOM 244 CE2 TYR A 410 -11.774 0.335 -6.960 1.00 73.24 C ATOM 245 CZ TYR A 410 -11.677 1.034 -5.786 1.00 10.44 C ATOM 246 OH TYR A 410 -12.815 1.392 -5.108 1.00 54.11 O ATOM 0 H TYR A 410 -5.965 1.225 -7.945 1.00 11.55 H new ATOM 0 HA TYR A 410 -7.079 -1.025 -6.340 1.00 1.41 H new ATOM 0 HB2 TYR A 410 -7.947 0.699 -8.659 1.00 54.43 H new ATOM 0 HB3 TYR A 410 -8.535 -0.952 -8.642 1.00 54.43 H new ATOM 0 HD1 TYR A 410 -8.333 1.293 -5.577 1.00 4.51 H new ATOM 0 HD2 TYR A 410 -10.733 -0.587 -8.551 1.00 42.54 H new ATOM 0 HE1 TYR A 410 -10.374 1.946 -4.371 1.00 11.00 H new ATOM 0 HE2 TYR A 410 -12.744 0.073 -7.355 1.00 73.24 H new ATOM 0 HH TYR A 410 -13.601 1.068 -5.595 1.00 54.11 H new ATOM 256 N HIS A 411 -6.380 -3.001 -7.884 1.00 50.24 N ATOM 257 CA HIS A 411 -5.817 -4.141 -8.663 1.00 24.24 C ATOM 258 C HIS A 411 -4.290 -4.243 -8.536 1.00 63.14 C ATOM 259 O HIS A 411 -3.560 -4.084 -9.517 1.00 51.41 O ATOM 260 CB HIS A 411 -6.221 -4.127 -10.138 1.00 43.33 C ATOM 261 CG HIS A 411 -7.649 -4.506 -10.398 1.00 44.03 C ATOM 262 ND1 HIS A 411 -8.312 -5.522 -9.736 1.00 35.44 N ATOM 263 CD2 HIS A 411 -8.548 -3.963 -11.244 1.00 42.51 C ATOM 264 CE1 HIS A 411 -9.561 -5.587 -10.173 1.00 23.41 C ATOM 265 NE2 HIS A 411 -9.729 -4.649 -11.085 1.00 1.42 N ATOM 0 H HIS A 411 -6.927 -3.295 -7.075 1.00 50.24 H new ATOM 0 HA HIS A 411 -6.260 -5.029 -8.212 1.00 24.24 H new ATOM 0 HB2 HIS A 411 -6.045 -3.129 -10.540 1.00 43.33 H new ATOM 0 HB3 HIS A 411 -5.572 -4.811 -10.685 1.00 43.33 H new ATOM 0 HD2 HIS A 411 -8.373 -3.141 -11.922 1.00 42.51 H new ATOM 0 HE1 HIS A 411 -10.312 -6.288 -9.840 1.00 23.41 H new ATOM 0 HE2 HIS A 411 -10.595 -4.463 -11.591 1.00 1.42 H new ATOM 274 N LEU A 412 -3.829 -4.480 -7.314 1.00 21.45 N ATOM 275 CA LEU A 412 -2.407 -4.514 -7.003 1.00 34.21 C ATOM 276 C LEU A 412 -1.743 -5.792 -7.586 1.00 35.10 C ATOM 277 O LEU A 412 -2.214 -6.897 -7.287 1.00 21.41 O ATOM 278 CB LEU A 412 -2.185 -4.351 -5.453 1.00 50.42 C ATOM 279 CG LEU A 412 -0.786 -4.715 -4.881 1.00 22.04 C ATOM 280 CD1 LEU A 412 -0.244 -3.629 -3.958 1.00 44.14 C ATOM 281 CD2 LEU A 412 -0.804 -6.040 -4.096 1.00 10.40 C ATOM 0 H LEU A 412 -4.432 -4.654 -6.510 1.00 21.45 H new ATOM 0 HA LEU A 412 -1.912 -3.670 -7.483 1.00 34.21 H new ATOM 0 HB2 LEU A 412 -2.395 -3.314 -5.191 1.00 50.42 H new ATOM 0 HB3 LEU A 412 -2.926 -4.965 -4.942 1.00 50.42 H new ATOM 0 HG LEU A 412 -0.138 -4.815 -5.752 1.00 22.04 H new ATOM 0 HD11 LEU A 412 0.735 -3.926 -3.582 1.00 44.14 H new ATOM 0 HD12 LEU A 412 -0.152 -2.694 -4.511 1.00 44.14 H new ATOM 0 HD13 LEU A 412 -0.927 -3.489 -3.120 1.00 44.14 H new ATOM 0 HD21 LEU A 412 0.196 -6.252 -3.716 1.00 10.40 H new ATOM 0 HD22 LEU A 412 -1.500 -5.959 -3.261 1.00 10.40 H new ATOM 0 HD23 LEU A 412 -1.121 -6.849 -4.755 1.00 10.40 H new ATOM 293 N PRO A 413 -0.689 -5.685 -8.477 1.00 43.53 N ATOM 294 CA PRO A 413 0.002 -6.865 -9.029 1.00 41.43 C ATOM 295 C PRO A 413 0.921 -7.669 -8.065 1.00 34.44 C ATOM 296 O PRO A 413 1.028 -7.371 -6.878 1.00 34.01 O ATOM 297 CB PRO A 413 0.680 -6.378 -10.267 1.00 73.12 C ATOM 298 CG PRO A 413 0.967 -4.962 -10.047 1.00 41.45 C ATOM 299 CD PRO A 413 -0.079 -4.427 -9.096 1.00 13.21 C ATOM 0 HA PRO A 413 -0.733 -7.642 -9.239 1.00 41.43 H new ATOM 0 HB2 PRO A 413 1.597 -6.936 -10.453 1.00 73.12 H new ATOM 0 HB3 PRO A 413 0.041 -6.514 -11.140 1.00 73.12 H new ATOM 0 HG2 PRO A 413 1.966 -4.834 -9.629 1.00 41.45 H new ATOM 0 HG3 PRO A 413 0.943 -4.415 -10.990 1.00 41.45 H new ATOM 0 HD2 PRO A 413 0.363 -3.782 -8.337 1.00 13.21 H new ATOM 0 HD3 PRO A 413 -0.830 -3.835 -9.619 1.00 13.21 H new ATOM 307 N GLN A 414 1.577 -8.689 -8.662 1.00 44.43 N ATOM 308 CA GLN A 414 1.934 -10.017 -8.117 1.00 10.55 C ATOM 309 C GLN A 414 2.193 -10.253 -6.570 1.00 75.34 C ATOM 310 O GLN A 414 1.376 -10.953 -5.980 1.00 21.14 O ATOM 311 CB GLN A 414 3.239 -10.349 -8.905 1.00 23.42 C ATOM 312 CG GLN A 414 4.192 -9.148 -9.244 1.00 45.11 C ATOM 313 CD GLN A 414 5.337 -8.945 -8.250 1.00 22.02 C ATOM 314 OE1 GLN A 414 5.811 -9.893 -7.640 1.00 45.13 O ATOM 315 NE2 GLN A 414 5.788 -7.702 -8.089 1.00 15.23 N ATOM 0 H GLN A 414 1.899 -8.594 -9.625 1.00 44.43 H new ATOM 0 HA GLN A 414 1.049 -10.643 -8.236 1.00 10.55 H new ATOM 0 HB2 GLN A 414 3.806 -11.079 -8.328 1.00 23.42 H new ATOM 0 HB3 GLN A 414 2.956 -10.832 -9.841 1.00 23.42 H new ATOM 0 HG2 GLN A 414 4.613 -9.305 -10.237 1.00 45.11 H new ATOM 0 HG3 GLN A 414 3.601 -8.233 -9.289 1.00 45.11 H new ATOM 0 HE21 GLN A 414 5.369 -6.935 -8.615 1.00 15.23 H new ATOM 0 HE22 GLN A 414 6.553 -7.517 -7.440 1.00 15.23 H new ATOM 324 N GLU A 415 3.237 -9.724 -5.888 1.00 11.42 N ATOM 325 CA GLU A 415 3.239 -9.716 -4.391 1.00 31.03 C ATOM 326 C GLU A 415 3.264 -8.287 -3.783 1.00 33.34 C ATOM 327 O GLU A 415 3.309 -8.169 -2.553 1.00 42.42 O ATOM 328 CB GLU A 415 4.324 -10.708 -3.773 1.00 11.14 C ATOM 329 CG GLU A 415 5.585 -10.118 -3.118 1.00 40.31 C ATOM 330 CD GLU A 415 6.798 -10.012 -4.022 1.00 71.32 C ATOM 331 OE1 GLU A 415 6.930 -9.002 -4.746 1.00 34.13 O ATOM 332 OE2 GLU A 415 7.645 -10.937 -3.971 1.00 64.04 O ATOM 0 H GLU A 415 4.062 -9.310 -6.322 1.00 11.42 H new ATOM 0 HA GLU A 415 2.275 -10.122 -4.084 1.00 31.03 H new ATOM 0 HB2 GLU A 415 3.821 -11.322 -3.026 1.00 11.14 H new ATOM 0 HB3 GLU A 415 4.649 -11.378 -4.569 1.00 11.14 H new ATOM 0 HG2 GLU A 415 5.346 -9.124 -2.740 1.00 40.31 H new ATOM 0 HG3 GLU A 415 5.848 -10.732 -2.256 1.00 40.31 H new ATOM 339 N PHE A 416 2.957 -7.240 -4.608 1.00 62.14 N ATOM 340 CA PHE A 416 3.677 -5.905 -4.535 1.00 33.41 C ATOM 341 C PHE A 416 3.654 -5.338 -3.084 1.00 74.35 C ATOM 342 O PHE A 416 2.618 -4.855 -2.618 1.00 41.10 O ATOM 343 CB PHE A 416 3.039 -4.817 -5.497 1.00 70.45 C ATOM 344 CG PHE A 416 3.797 -4.216 -6.658 1.00 60.34 C ATOM 345 CD1 PHE A 416 4.839 -4.823 -7.356 1.00 33.42 C ATOM 346 CD2 PHE A 416 3.375 -2.955 -7.065 1.00 75.54 C ATOM 347 CE1 PHE A 416 5.424 -4.190 -8.434 1.00 32.14 C ATOM 348 CE2 PHE A 416 3.965 -2.309 -8.126 1.00 72.04 C ATOM 349 CZ PHE A 416 4.989 -2.930 -8.824 1.00 54.04 C ATOM 0 H PHE A 416 2.231 -7.281 -5.323 1.00 62.14 H new ATOM 0 HA PHE A 416 4.701 -6.101 -4.853 1.00 33.41 H new ATOM 0 HB2 PHE A 416 2.133 -5.260 -5.911 1.00 70.45 H new ATOM 0 HB3 PHE A 416 2.727 -3.986 -4.865 1.00 70.45 H new ATOM 0 HD1 PHE A 416 5.192 -5.797 -7.051 1.00 33.42 H new ATOM 0 HD2 PHE A 416 2.566 -2.472 -6.536 1.00 75.54 H new ATOM 0 HE1 PHE A 416 6.222 -4.676 -8.976 1.00 32.14 H new ATOM 0 HE2 PHE A 416 3.632 -1.323 -8.414 1.00 72.04 H new ATOM 0 HZ PHE A 416 5.447 -2.436 -9.668 1.00 54.04 H new ATOM 359 N GLY A 417 4.797 -5.425 -2.357 1.00 11.14 N ATOM 360 CA GLY A 417 4.809 -5.104 -0.938 1.00 63.33 C ATOM 361 C GLY A 417 5.541 -3.786 -0.616 1.00 61.42 C ATOM 362 O GLY A 417 5.868 -3.044 -1.542 1.00 43.21 O ATOM 0 H GLY A 417 5.699 -5.711 -2.737 1.00 11.14 H new ATOM 0 HA2 GLY A 417 3.782 -5.038 -0.579 1.00 63.33 H new ATOM 0 HA3 GLY A 417 5.285 -5.919 -0.393 1.00 63.33 H new ATOM 366 N ASP A 418 5.783 -3.500 0.705 1.00 34.01 N ATOM 367 CA ASP A 418 6.357 -2.200 1.201 1.00 71.50 C ATOM 368 C ASP A 418 7.628 -1.737 0.447 1.00 71.32 C ATOM 369 O ASP A 418 7.672 -0.616 -0.058 1.00 42.03 O ATOM 370 CB ASP A 418 6.703 -2.272 2.718 1.00 11.31 C ATOM 371 CG ASP A 418 6.920 -0.910 3.336 1.00 70.20 C ATOM 372 OD1 ASP A 418 5.927 -0.290 3.748 1.00 25.12 O ATOM 373 OD2 ASP A 418 8.091 -0.489 3.435 1.00 32.32 O ATOM 0 H ASP A 418 5.586 -4.163 1.455 1.00 34.01 H new ATOM 0 HA ASP A 418 5.568 -1.472 1.013 1.00 71.50 H new ATOM 0 HB2 ASP A 418 5.896 -2.781 3.246 1.00 11.31 H new ATOM 0 HB3 ASP A 418 7.602 -2.874 2.853 1.00 11.31 H new ATOM 378 N GLN A 419 8.659 -2.603 0.424 1.00 64.21 N ATOM 379 CA GLN A 419 9.943 -2.333 -0.246 1.00 23.22 C ATOM 380 C GLN A 419 9.809 -2.042 -1.747 1.00 45.31 C ATOM 381 O GLN A 419 10.558 -1.193 -2.252 1.00 70.54 O ATOM 382 CB GLN A 419 10.985 -3.463 -0.014 1.00 45.25 C ATOM 383 CG GLN A 419 10.670 -4.803 -0.685 1.00 45.44 C ATOM 384 CD GLN A 419 9.736 -5.710 0.123 1.00 30.22 C ATOM 385 OE1 GLN A 419 10.190 -6.508 0.931 1.00 71.53 O ATOM 386 NE2 GLN A 419 8.432 -5.618 -0.105 1.00 5.30 N ATOM 0 H GLN A 419 8.623 -3.517 0.874 1.00 64.21 H new ATOM 0 HA GLN A 419 10.308 -1.421 0.227 1.00 23.22 H new ATOM 0 HB2 GLN A 419 11.955 -3.117 -0.372 1.00 45.25 H new ATOM 0 HB3 GLN A 419 11.082 -3.628 1.059 1.00 45.25 H new ATOM 0 HG2 GLN A 419 10.218 -4.611 -1.658 1.00 45.44 H new ATOM 0 HG3 GLN A 419 11.605 -5.333 -0.866 1.00 45.44 H new ATOM 0 HE21 GLN A 419 8.079 -4.944 -0.784 1.00 5.30 H new ATOM 0 HE22 GLN A 419 7.782 -6.221 0.399 1.00 5.30 H new ATOM 395 N ASP A 420 8.895 -2.739 -2.469 1.00 51.11 N ATOM 396 CA ASP A 420 8.704 -2.438 -3.900 1.00 13.43 C ATOM 397 C ASP A 420 8.185 -1.003 -4.110 1.00 4.32 C ATOM 398 O ASP A 420 8.769 -0.261 -4.915 1.00 34.12 O ATOM 399 CB ASP A 420 7.821 -3.442 -4.680 1.00 52.32 C ATOM 400 CG ASP A 420 6.675 -2.793 -5.396 1.00 14.54 C ATOM 401 OD1 ASP A 420 6.899 -2.285 -6.512 1.00 2.53 O ATOM 402 OD2 ASP A 420 5.581 -2.724 -4.795 1.00 21.21 O ATOM 0 H ASP A 420 8.303 -3.483 -2.098 1.00 51.11 H new ATOM 0 HA ASP A 420 9.703 -2.539 -4.324 1.00 13.43 H new ATOM 0 HB2 ASP A 420 8.439 -3.972 -5.404 1.00 52.32 H new ATOM 0 HB3 ASP A 420 7.432 -4.188 -3.987 1.00 52.32 H new ATOM 407 N ILE A 421 7.076 -0.645 -3.387 1.00 31.43 N ATOM 408 CA ILE A 421 6.347 0.623 -3.567 1.00 24.40 C ATOM 409 C ILE A 421 7.249 1.868 -3.319 1.00 33.04 C ATOM 410 O ILE A 421 6.916 2.982 -3.743 1.00 60.43 O ATOM 411 CB ILE A 421 5.006 0.651 -2.652 1.00 42.34 C ATOM 412 CG1 ILE A 421 3.665 0.779 -3.484 1.00 50.43 C ATOM 413 CG2 ILE A 421 5.039 1.674 -1.504 1.00 24.22 C ATOM 414 CD1 ILE A 421 2.455 1.446 -2.806 1.00 2.24 C ATOM 0 H ILE A 421 6.674 -1.241 -2.664 1.00 31.43 H new ATOM 0 HA ILE A 421 6.040 0.677 -4.612 1.00 24.40 H new ATOM 0 HB ILE A 421 5.005 -0.335 -2.188 1.00 42.34 H new ATOM 0 HG12 ILE A 421 3.888 1.337 -4.393 1.00 50.43 H new ATOM 0 HG13 ILE A 421 3.365 -0.223 -3.791 1.00 50.43 H new ATOM 0 HG21 ILE A 421 4.104 1.624 -0.945 1.00 24.22 H new ATOM 0 HG22 ILE A 421 5.872 1.447 -0.838 1.00 24.22 H new ATOM 0 HG23 ILE A 421 5.164 2.676 -1.913 1.00 24.22 H new ATOM 0 HD11 ILE A 421 1.613 1.461 -3.498 1.00 2.24 H new ATOM 0 HD12 ILE A 421 2.182 0.883 -1.914 1.00 2.24 H new ATOM 0 HD13 ILE A 421 2.712 2.467 -2.526 1.00 2.24 H new ATOM 426 N LEU A 422 8.419 1.655 -2.686 1.00 21.44 N ATOM 427 CA LEU A 422 9.233 2.735 -2.242 1.00 22.54 C ATOM 428 C LEU A 422 10.160 3.118 -3.401 1.00 13.22 C ATOM 429 O LEU A 422 10.372 4.297 -3.676 1.00 70.11 O ATOM 430 CB LEU A 422 10.006 2.399 -0.902 1.00 72.04 C ATOM 431 CG LEU A 422 10.911 3.520 -0.280 1.00 15.12 C ATOM 432 CD1 LEU A 422 10.168 4.838 0.020 1.00 33.04 C ATOM 433 CD2 LEU A 422 11.573 3.068 1.019 1.00 2.31 C ATOM 0 H LEU A 422 8.798 0.730 -2.484 1.00 21.44 H new ATOM 0 HA LEU A 422 8.613 3.592 -1.979 1.00 22.54 H new ATOM 0 HB2 LEU A 422 9.269 2.110 -0.153 1.00 72.04 H new ATOM 0 HB3 LEU A 422 10.632 1.526 -1.086 1.00 72.04 H new ATOM 0 HG LEU A 422 11.656 3.706 -1.054 1.00 15.12 H new ATOM 0 HD11 LEU A 422 10.865 5.559 0.447 1.00 33.04 H new ATOM 0 HD12 LEU A 422 9.752 5.239 -0.904 1.00 33.04 H new ATOM 0 HD13 LEU A 422 9.362 4.648 0.729 1.00 33.04 H new ATOM 0 HD21 LEU A 422 12.190 3.876 1.413 1.00 2.31 H new ATOM 0 HD22 LEU A 422 10.805 2.809 1.748 1.00 2.31 H new ATOM 0 HD23 LEU A 422 12.198 2.196 0.825 1.00 2.31 H new ATOM 445 N GLN A 423 10.681 2.092 -4.105 1.00 1.13 N ATOM 446 CA GLN A 423 11.573 2.313 -5.259 1.00 43.41 C ATOM 447 C GLN A 423 10.865 2.477 -6.638 1.00 32.11 C ATOM 448 O GLN A 423 11.328 3.304 -7.428 1.00 22.12 O ATOM 449 CB GLN A 423 12.703 1.250 -5.293 1.00 70.41 C ATOM 450 CG GLN A 423 12.244 -0.130 -5.753 1.00 21.31 C ATOM 451 CD GLN A 423 13.149 -1.260 -5.310 1.00 21.23 C ATOM 452 OE1 GLN A 423 14.093 -1.616 -6.007 1.00 72.23 O ATOM 453 NE2 GLN A 423 12.853 -1.839 -4.152 1.00 22.53 N ATOM 0 H GLN A 423 10.501 1.110 -3.896 1.00 1.13 H new ATOM 0 HA GLN A 423 12.018 3.294 -5.092 1.00 43.41 H new ATOM 0 HB2 GLN A 423 13.495 1.598 -5.956 1.00 70.41 H new ATOM 0 HB3 GLN A 423 13.137 1.164 -4.297 1.00 70.41 H new ATOM 0 HG2 GLN A 423 11.239 -0.313 -5.372 1.00 21.31 H new ATOM 0 HG3 GLN A 423 12.179 -0.136 -6.841 1.00 21.31 H new ATOM 0 HE21 GLN A 423 12.058 -1.509 -3.605 1.00 22.53 H new ATOM 0 HE22 GLN A 423 13.421 -2.614 -3.809 1.00 22.53 H new ATOM 462 N MET A 424 9.760 1.742 -6.959 1.00 73.02 N ATOM 463 CA MET A 424 9.151 1.872 -8.326 1.00 31.14 C ATOM 464 C MET A 424 8.323 3.193 -8.441 1.00 42.24 C ATOM 465 O MET A 424 8.032 3.667 -9.537 1.00 52.34 O ATOM 466 CB MET A 424 8.317 0.568 -8.757 1.00 24.24 C ATOM 467 CG MET A 424 7.809 0.452 -10.250 1.00 3.41 C ATOM 468 SD MET A 424 9.157 0.428 -11.452 1.00 24.03 S ATOM 469 CE MET A 424 9.165 2.113 -12.059 1.00 64.44 C ATOM 0 H MET A 424 9.291 1.087 -6.333 1.00 73.02 H new ATOM 0 HA MET A 424 9.966 1.939 -9.046 1.00 31.14 H new ATOM 0 HB2 MET A 424 8.937 -0.304 -8.550 1.00 24.24 H new ATOM 0 HB3 MET A 424 7.446 0.502 -8.105 1.00 24.24 H new ATOM 0 HG2 MET A 424 7.217 -0.457 -10.357 1.00 3.41 H new ATOM 0 HG3 MET A 424 7.148 1.290 -10.470 1.00 3.41 H new ATOM 0 HE1 MET A 424 9.723 2.160 -12.994 1.00 64.44 H new ATOM 0 HE2 MET A 424 8.140 2.443 -12.230 1.00 64.44 H new ATOM 0 HE3 MET A 424 9.637 2.763 -11.322 1.00 64.44 H new ATOM 479 N PHE A 425 7.962 3.814 -7.305 1.00 10.21 N ATOM 480 CA PHE A 425 7.139 5.017 -7.302 1.00 71.15 C ATOM 481 C PHE A 425 8.011 6.258 -6.916 1.00 3.32 C ATOM 482 O PHE A 425 7.514 7.379 -6.837 1.00 33.11 O ATOM 483 CB PHE A 425 5.923 4.691 -6.409 1.00 4.13 C ATOM 484 CG PHE A 425 4.556 4.659 -7.077 1.00 23.55 C ATOM 485 CD1 PHE A 425 4.118 3.464 -7.632 1.00 70.40 C ATOM 486 CD2 PHE A 425 3.684 5.768 -7.134 1.00 31.43 C ATOM 487 CE1 PHE A 425 2.881 3.358 -8.215 1.00 40.33 C ATOM 488 CE2 PHE A 425 2.454 5.644 -7.725 1.00 74.34 C ATOM 489 CZ PHE A 425 2.047 4.446 -8.261 1.00 2.03 C ATOM 0 H PHE A 425 8.234 3.493 -6.376 1.00 10.21 H new ATOM 0 HA PHE A 425 6.744 5.305 -8.276 1.00 71.15 H new ATOM 0 HB2 PHE A 425 6.095 3.719 -5.946 1.00 4.13 H new ATOM 0 HB3 PHE A 425 5.888 5.426 -5.605 1.00 4.13 H new ATOM 0 HD1 PHE A 425 4.765 2.600 -7.604 1.00 70.40 H new ATOM 0 HD2 PHE A 425 3.987 6.715 -6.711 1.00 31.43 H new ATOM 0 HE1 PHE A 425 2.563 2.417 -8.638 1.00 40.33 H new ATOM 0 HE2 PHE A 425 1.796 6.499 -7.770 1.00 74.34 H new ATOM 0 HZ PHE A 425 1.072 4.361 -8.718 1.00 2.03 H new ATOM 499 N MET A 426 9.335 6.006 -6.680 1.00 72.32 N ATOM 500 CA MET A 426 10.347 7.024 -6.333 1.00 54.14 C ATOM 501 C MET A 426 10.680 8.081 -7.452 1.00 43.13 C ATOM 502 O MET A 426 10.730 9.266 -7.118 1.00 62.22 O ATOM 503 CB MET A 426 11.695 6.365 -5.973 1.00 65.24 C ATOM 504 CG MET A 426 12.315 6.976 -4.722 1.00 33.14 C ATOM 505 SD MET A 426 14.033 6.505 -4.418 1.00 20.53 S ATOM 506 CE MET A 426 13.848 4.945 -3.558 1.00 75.33 C ATOM 0 H MET A 426 9.725 5.065 -6.730 1.00 72.32 H new ATOM 0 HA MET A 426 9.879 7.546 -5.498 1.00 54.14 H new ATOM 0 HB2 MET A 426 11.546 5.296 -5.818 1.00 65.24 H new ATOM 0 HB3 MET A 426 12.386 6.473 -6.809 1.00 65.24 H new ATOM 0 HG2 MET A 426 12.259 8.062 -4.800 1.00 33.14 H new ATOM 0 HG3 MET A 426 11.716 6.687 -3.859 1.00 33.14 H new ATOM 0 HE1 MET A 426 14.517 4.922 -2.698 1.00 75.33 H new ATOM 0 HE2 MET A 426 12.818 4.836 -3.219 1.00 75.33 H new ATOM 0 HE3 MET A 426 14.097 4.126 -4.233 1.00 75.33 H new ATOM 516 N PRO A 427 10.924 7.679 -8.781 1.00 31.10 N ATOM 517 CA PRO A 427 11.763 8.457 -9.785 1.00 51.24 C ATOM 518 C PRO A 427 11.362 9.955 -10.168 1.00 70.45 C ATOM 519 O PRO A 427 12.099 10.580 -10.940 1.00 14.43 O ATOM 520 CB PRO A 427 11.703 7.502 -11.009 1.00 42.33 C ATOM 521 CG PRO A 427 10.360 6.894 -10.879 1.00 74.54 C ATOM 522 CD PRO A 427 10.407 6.446 -9.462 1.00 65.05 C ATOM 0 HA PRO A 427 12.741 8.676 -9.357 1.00 51.24 H new ATOM 0 HB2 PRO A 427 11.814 8.041 -11.950 1.00 42.33 H new ATOM 0 HB3 PRO A 427 12.493 6.751 -10.976 1.00 42.33 H new ATOM 0 HG2 PRO A 427 9.560 7.611 -11.062 1.00 74.54 H new ATOM 0 HG3 PRO A 427 10.210 6.066 -11.572 1.00 74.54 H new ATOM 0 HD2 PRO A 427 9.425 6.152 -9.091 1.00 65.05 H new ATOM 0 HD3 PRO A 427 11.069 5.591 -9.323 1.00 65.05 H new ATOM 530 N PHE A 428 10.236 10.530 -9.650 1.00 54.24 N ATOM 531 CA PHE A 428 9.916 11.992 -9.855 1.00 3.35 C ATOM 532 C PHE A 428 9.776 12.846 -8.528 1.00 53.45 C ATOM 533 O PHE A 428 9.227 13.950 -8.601 1.00 5.04 O ATOM 534 CB PHE A 428 8.636 12.258 -10.739 1.00 74.23 C ATOM 535 CG PHE A 428 8.257 11.250 -11.818 1.00 64.04 C ATOM 536 CD1 PHE A 428 8.774 11.349 -13.108 1.00 5.41 C ATOM 537 CD2 PHE A 428 7.319 10.254 -11.557 1.00 63.41 C ATOM 538 CE1 PHE A 428 8.371 10.467 -14.107 1.00 11.13 C ATOM 539 CE2 PHE A 428 6.909 9.380 -12.556 1.00 3.34 C ATOM 540 CZ PHE A 428 7.438 9.487 -13.827 1.00 55.13 C ATOM 0 H PHE A 428 9.544 10.023 -9.098 1.00 54.24 H new ATOM 0 HA PHE A 428 10.805 12.328 -10.389 1.00 3.35 H new ATOM 0 HB2 PHE A 428 7.785 12.353 -10.065 1.00 74.23 H new ATOM 0 HB3 PHE A 428 8.767 13.225 -11.224 1.00 74.23 H new ATOM 0 HD1 PHE A 428 9.496 12.119 -13.336 1.00 5.41 H new ATOM 0 HD2 PHE A 428 6.905 10.160 -10.564 1.00 63.41 H new ATOM 0 HE1 PHE A 428 8.787 10.549 -15.100 1.00 11.13 H new ATOM 0 HE2 PHE A 428 6.176 8.617 -12.339 1.00 3.34 H new ATOM 0 HZ PHE A 428 7.122 8.805 -14.602 1.00 55.13 H new ATOM 550 N GLY A 429 10.261 12.400 -7.332 1.00 50.20 N ATOM 551 CA GLY A 429 10.306 13.299 -6.164 1.00 33.40 C ATOM 552 C GLY A 429 10.074 12.577 -4.795 1.00 32.42 C ATOM 553 O GLY A 429 9.819 11.370 -4.800 1.00 41.41 O ATOM 0 H GLY A 429 10.612 11.457 -7.164 1.00 50.20 H new ATOM 0 HA2 GLY A 429 11.275 13.798 -6.140 1.00 33.40 H new ATOM 0 HA3 GLY A 429 9.550 14.075 -6.286 1.00 33.40 H new ATOM 557 N ASN A 430 10.144 13.295 -3.615 1.00 52.14 N ATOM 558 CA ASN A 430 10.245 12.621 -2.281 1.00 10.12 C ATOM 559 C ASN A 430 8.857 12.191 -1.691 1.00 12.45 C ATOM 560 O ASN A 430 7.861 12.909 -1.830 1.00 70.10 O ATOM 561 CB ASN A 430 11.061 13.480 -1.249 1.00 65.43 C ATOM 562 CG ASN A 430 10.420 14.797 -0.783 1.00 30.41 C ATOM 563 OD1 ASN A 430 9.738 15.483 -1.541 1.00 21.25 O ATOM 564 ND2 ASN A 430 10.639 15.149 0.501 1.00 71.42 N ATOM 0 H ASN A 430 10.132 14.314 -3.570 1.00 52.14 H new ATOM 0 HA ASN A 430 10.798 11.699 -2.463 1.00 10.12 H new ATOM 0 HB2 ASN A 430 11.251 12.865 -0.370 1.00 65.43 H new ATOM 0 HB3 ASN A 430 12.030 13.712 -1.691 1.00 65.43 H new ATOM 0 HD21 ASN A 430 10.233 16.009 0.870 1.00 71.42 H new ATOM 0 HD22 ASN A 430 11.211 14.555 1.102 1.00 71.42 H new ATOM 571 N VAL A 431 8.807 10.976 -1.075 1.00 60.23 N ATOM 572 CA VAL A 431 7.538 10.345 -0.608 1.00 42.12 C ATOM 573 C VAL A 431 7.441 10.228 0.971 1.00 32.04 C ATOM 574 O VAL A 431 8.453 9.916 1.615 1.00 13.30 O ATOM 575 CB VAL A 431 7.296 8.957 -1.349 1.00 52.13 C ATOM 576 CG1 VAL A 431 8.572 8.272 -1.747 1.00 73.01 C ATOM 577 CG2 VAL A 431 6.480 7.933 -0.554 1.00 3.52 C ATOM 0 H VAL A 431 9.636 10.411 -0.890 1.00 60.23 H new ATOM 0 HA VAL A 431 6.723 11.014 -0.885 1.00 42.12 H new ATOM 0 HB VAL A 431 6.725 9.265 -2.225 1.00 52.13 H new ATOM 0 HG11 VAL A 431 8.340 7.332 -2.247 1.00 73.01 H new ATOM 0 HG12 VAL A 431 9.134 8.915 -2.425 1.00 73.01 H new ATOM 0 HG13 VAL A 431 9.170 8.072 -0.858 1.00 73.01 H new ATOM 0 HG21 VAL A 431 6.369 7.021 -1.141 1.00 3.52 H new ATOM 0 HG22 VAL A 431 6.994 7.703 0.379 1.00 3.52 H new ATOM 0 HG23 VAL A 431 5.495 8.345 -0.333 1.00 3.52 H new ATOM 587 N ILE A 432 6.235 10.459 1.599 1.00 21.20 N ATOM 588 CA ILE A 432 6.112 10.455 3.101 1.00 14.10 C ATOM 589 C ILE A 432 5.337 9.193 3.698 1.00 32.22 C ATOM 590 O ILE A 432 5.385 8.973 4.908 1.00 51.55 O ATOM 591 CB ILE A 432 5.415 11.763 3.674 1.00 24.20 C ATOM 592 CG1 ILE A 432 5.601 12.960 2.712 1.00 61.14 C ATOM 593 CG2 ILE A 432 5.946 12.164 5.052 1.00 3.23 C ATOM 594 CD1 ILE A 432 5.128 14.340 3.209 1.00 53.03 C ATOM 0 H ILE A 432 5.362 10.644 1.105 1.00 21.20 H new ATOM 0 HA ILE A 432 7.152 10.411 3.425 1.00 14.10 H new ATOM 0 HB ILE A 432 4.358 11.515 3.770 1.00 24.20 H new ATOM 0 HG12 ILE A 432 6.660 13.034 2.465 1.00 61.14 H new ATOM 0 HG13 ILE A 432 5.073 12.735 1.786 1.00 61.14 H new ATOM 0 HG21 ILE A 432 5.433 13.064 5.392 1.00 3.23 H new ATOM 0 HG22 ILE A 432 5.767 11.355 5.760 1.00 3.23 H new ATOM 0 HG23 ILE A 432 7.016 12.359 4.987 1.00 3.23 H new ATOM 0 HD11 ILE A 432 5.316 15.088 2.439 1.00 53.03 H new ATOM 0 HD12 ILE A 432 4.060 14.303 3.425 1.00 53.03 H new ATOM 0 HD13 ILE A 432 5.672 14.607 4.115 1.00 53.03 H new ATOM 606 N SER A 433 4.590 8.400 2.876 1.00 24.23 N ATOM 607 CA SER A 433 3.810 7.199 3.363 1.00 42.02 C ATOM 608 C SER A 433 3.886 5.972 2.387 1.00 74.34 C ATOM 609 O SER A 433 3.653 6.115 1.183 1.00 74.20 O ATOM 610 CB SER A 433 2.312 7.580 3.598 1.00 22.53 C ATOM 611 OG SER A 433 2.158 8.932 4.007 1.00 52.32 O ATOM 0 H SER A 433 4.505 8.562 1.873 1.00 24.23 H new ATOM 0 HA SER A 433 4.276 6.896 4.301 1.00 42.02 H new ATOM 0 HB2 SER A 433 1.749 7.414 2.680 1.00 22.53 H new ATOM 0 HB3 SER A 433 1.887 6.922 4.356 1.00 22.53 H new ATOM 0 HG SER A 433 1.238 9.223 3.836 1.00 52.32 H new ATOM 617 N ALA A 434 4.224 4.767 2.941 1.00 73.41 N ATOM 618 CA ALA A 434 4.097 3.433 2.240 1.00 42.34 C ATOM 619 C ALA A 434 3.507 2.322 3.235 1.00 65.51 C ATOM 620 O ALA A 434 4.126 2.100 4.278 1.00 2.23 O ATOM 621 CB ALA A 434 5.485 2.990 1.736 1.00 65.02 C ATOM 0 H ALA A 434 4.594 4.685 3.888 1.00 73.41 H new ATOM 0 HA ALA A 434 3.412 3.542 1.399 1.00 42.34 H new ATOM 0 HB1 ALA A 434 5.398 2.029 1.230 1.00 65.02 H new ATOM 0 HB2 ALA A 434 5.873 3.733 1.040 1.00 65.02 H new ATOM 0 HB3 ALA A 434 6.166 2.895 2.582 1.00 65.02 H new ATOM 627 N LYS A 435 2.299 1.665 2.972 1.00 70.35 N ATOM 628 CA LYS A 435 1.803 0.489 3.789 1.00 41.44 C ATOM 629 C LYS A 435 0.797 -0.396 2.931 1.00 20.31 C ATOM 630 O LYS A 435 -0.064 0.182 2.251 1.00 73.31 O ATOM 631 CB LYS A 435 1.199 0.907 5.206 1.00 54.31 C ATOM 632 CG LYS A 435 -0.142 1.653 5.305 1.00 71.01 C ATOM 633 CD LYS A 435 -1.337 0.692 5.405 1.00 10.44 C ATOM 634 CE LYS A 435 -2.703 1.396 5.403 1.00 70.42 C ATOM 635 NZ LYS A 435 -2.859 2.360 6.526 1.00 13.12 N ATOM 0 H LYS A 435 1.671 1.932 2.214 1.00 70.35 H new ATOM 0 HA LYS A 435 2.672 -0.123 4.031 1.00 41.44 H new ATOM 0 HB2 LYS A 435 1.101 -0.006 5.793 1.00 54.31 H new ATOM 0 HB3 LYS A 435 1.946 1.526 5.702 1.00 54.31 H new ATOM 0 HG2 LYS A 435 -0.129 2.305 6.178 1.00 71.01 H new ATOM 0 HG3 LYS A 435 -0.265 2.293 4.431 1.00 71.01 H new ATOM 0 HD2 LYS A 435 -1.299 -0.008 4.570 1.00 10.44 H new ATOM 0 HD3 LYS A 435 -1.243 0.105 6.318 1.00 10.44 H new ATOM 0 HE2 LYS A 435 -2.833 1.923 4.458 1.00 70.42 H new ATOM 0 HE3 LYS A 435 -3.492 0.647 5.462 1.00 70.42 H new ATOM 0 HZ1 LYS A 435 -3.798 2.804 6.474 1.00 13.12 H new ATOM 0 HZ2 LYS A 435 -2.763 1.857 7.431 1.00 13.12 H new ATOM 0 HZ3 LYS A 435 -2.125 3.093 6.458 1.00 13.12 H new ATOM 649 N VAL A 436 0.892 -1.776 2.929 1.00 72.13 N ATOM 650 CA VAL A 436 -0.186 -2.617 2.293 1.00 15.20 C ATOM 651 C VAL A 436 -1.040 -3.283 3.432 1.00 71.51 C ATOM 652 O VAL A 436 -0.721 -4.346 3.969 1.00 35.33 O ATOM 653 CB VAL A 436 0.388 -3.711 1.233 1.00 23.55 C ATOM 654 CG1 VAL A 436 -0.592 -4.840 0.845 1.00 73.45 C ATOM 655 CG2 VAL A 436 0.835 -3.117 -0.112 1.00 12.11 C ATOM 0 H VAL A 436 1.663 -2.303 3.339 1.00 72.13 H new ATOM 0 HA VAL A 436 -0.821 -1.965 1.693 1.00 15.20 H new ATOM 0 HB VAL A 436 1.227 -4.106 1.806 1.00 23.55 H new ATOM 0 HG11 VAL A 436 -0.110 -5.512 0.135 1.00 73.45 H new ATOM 0 HG12 VAL A 436 -0.876 -5.398 1.737 1.00 73.45 H new ATOM 0 HG13 VAL A 436 -1.482 -4.408 0.388 1.00 73.45 H new ATOM 0 HG21 VAL A 436 1.203 -3.914 -0.758 1.00 12.11 H new ATOM 0 HG22 VAL A 436 -0.011 -2.624 -0.591 1.00 12.11 H new ATOM 0 HG23 VAL A 436 1.630 -2.391 0.057 1.00 12.11 H new ATOM 665 N PHE A 437 -2.033 -2.515 3.891 1.00 71.42 N ATOM 666 CA PHE A 437 -3.255 -2.975 4.573 1.00 12.15 C ATOM 667 C PHE A 437 -4.525 -2.534 3.820 1.00 53.34 C ATOM 668 O PHE A 437 -4.490 -1.560 3.058 1.00 73.11 O ATOM 669 CB PHE A 437 -3.365 -2.519 6.040 1.00 60.41 C ATOM 670 CG PHE A 437 -2.594 -3.350 7.064 1.00 40.45 C ATOM 671 CD1 PHE A 437 -3.050 -4.610 7.495 1.00 10.42 C ATOM 672 CD2 PHE A 437 -1.433 -2.846 7.643 1.00 33.14 C ATOM 673 CE1 PHE A 437 -2.353 -5.325 8.467 1.00 44.14 C ATOM 674 CE2 PHE A 437 -0.743 -3.567 8.603 1.00 73.23 C ATOM 675 CZ PHE A 437 -1.204 -4.801 9.012 1.00 20.52 C ATOM 0 H PHE A 437 -2.008 -1.500 3.793 1.00 71.42 H new ATOM 0 HA PHE A 437 -3.175 -4.062 4.572 1.00 12.15 H new ATOM 0 HB2 PHE A 437 -3.019 -1.488 6.105 1.00 60.41 H new ATOM 0 HB3 PHE A 437 -4.418 -2.520 6.321 1.00 60.41 H new ATOM 0 HD1 PHE A 437 -3.950 -5.027 7.068 1.00 10.42 H new ATOM 0 HD2 PHE A 437 -1.064 -1.877 7.339 1.00 33.14 H new ATOM 0 HE1 PHE A 437 -2.715 -6.289 8.792 1.00 44.14 H new ATOM 0 HE2 PHE A 437 0.160 -3.161 9.034 1.00 73.23 H new ATOM 0 HZ PHE A 437 -0.661 -5.357 9.762 1.00 20.52 H new ATOM 866 N GLY A 449 -3.796 0.007 -2.019 1.00 74.11 N ATOM 867 CA GLY A 449 -2.763 0.621 -1.131 1.00 61.34 C ATOM 868 C GLY A 449 -2.557 2.142 -1.196 1.00 10.32 C ATOM 869 O GLY A 449 -3.148 2.822 -2.032 1.00 51.14 O ATOM 0 HA2 GLY A 449 -3.014 0.363 -0.102 1.00 61.34 H new ATOM 0 HA3 GLY A 449 -1.808 0.146 -1.355 1.00 61.34 H new ATOM 873 N PHE A 450 -1.686 2.655 -0.261 1.00 4.15 N ATOM 874 CA PHE A 450 -1.507 4.140 0.010 1.00 51.12 C ATOM 875 C PHE A 450 -0.103 4.727 -0.498 1.00 31.33 C ATOM 876 O PHE A 450 0.923 4.265 0.002 1.00 53.55 O ATOM 877 CB PHE A 450 -1.623 4.297 1.574 1.00 45.24 C ATOM 878 CG PHE A 450 -2.986 4.183 2.174 1.00 13.23 C ATOM 879 CD1 PHE A 450 -3.649 2.993 2.196 1.00 51.10 C ATOM 880 CD2 PHE A 450 -3.564 5.275 2.788 1.00 23.30 C ATOM 881 CE1 PHE A 450 -4.848 2.869 2.796 1.00 23.04 C ATOM 882 CE2 PHE A 450 -4.796 5.164 3.390 1.00 63.42 C ATOM 883 CZ PHE A 450 -5.438 3.955 3.391 1.00 15.23 C ATOM 0 H PHE A 450 -1.093 2.065 0.322 1.00 4.15 H new ATOM 0 HA PHE A 450 -2.261 4.704 -0.539 1.00 51.12 H new ATOM 0 HB2 PHE A 450 -0.986 3.543 2.037 1.00 45.24 H new ATOM 0 HB3 PHE A 450 -1.215 5.270 1.847 1.00 45.24 H new ATOM 0 HD1 PHE A 450 -3.203 2.131 1.722 1.00 51.10 H new ATOM 0 HD2 PHE A 450 -3.046 6.223 2.796 1.00 23.30 H new ATOM 0 HE1 PHE A 450 -5.347 1.911 2.809 1.00 23.04 H new ATOM 0 HE2 PHE A 450 -5.253 6.024 3.858 1.00 63.42 H new ATOM 0 HZ PHE A 450 -6.406 3.856 3.859 1.00 15.23 H new ATOM 893 N VAL A 451 -0.015 5.728 -1.493 1.00 40.52 N ATOM 894 CA VAL A 451 1.300 6.478 -1.745 1.00 34.51 C ATOM 895 C VAL A 451 1.057 8.055 -1.691 1.00 54.03 C ATOM 896 O VAL A 451 0.296 8.567 -2.524 1.00 51.13 O ATOM 897 CB VAL A 451 1.976 6.182 -3.166 1.00 44.11 C ATOM 898 CG1 VAL A 451 3.497 6.193 -3.100 1.00 34.41 C ATOM 899 CG2 VAL A 451 1.477 4.919 -3.836 1.00 51.12 C ATOM 0 H VAL A 451 -0.790 6.013 -2.092 1.00 40.52 H new ATOM 0 HA VAL A 451 1.967 6.121 -0.961 1.00 34.51 H new ATOM 0 HB VAL A 451 1.656 7.011 -3.797 1.00 44.11 H new ATOM 0 HG11 VAL A 451 3.906 5.987 -4.089 1.00 34.41 H new ATOM 0 HG12 VAL A 451 3.839 7.171 -2.762 1.00 34.41 H new ATOM 0 HG13 VAL A 451 3.836 5.429 -2.401 1.00 34.41 H new ATOM 0 HG21 VAL A 451 1.983 4.790 -4.793 1.00 51.12 H new ATOM 0 HG22 VAL A 451 1.686 4.061 -3.197 1.00 51.12 H new ATOM 0 HG23 VAL A 451 0.402 4.995 -4.002 1.00 51.12 H new ATOM 909 N SER A 452 1.652 8.827 -0.717 1.00 71.33 N ATOM 910 CA SER A 452 1.535 10.316 -0.673 1.00 5.20 C ATOM 911 C SER A 452 2.851 11.057 -1.233 1.00 33.23 C ATOM 912 O SER A 452 3.956 10.554 -1.004 1.00 23.12 O ATOM 913 CB SER A 452 1.306 10.658 0.816 1.00 23.30 C ATOM 914 OG SER A 452 2.493 10.515 1.580 1.00 22.55 O ATOM 0 H SER A 452 2.213 8.437 0.040 1.00 71.33 H new ATOM 0 HA SER A 452 0.721 10.659 -1.312 1.00 5.20 H new ATOM 0 HB2 SER A 452 0.940 11.681 0.901 1.00 23.30 H new ATOM 0 HB3 SER A 452 0.532 10.008 1.223 1.00 23.30 H new ATOM 0 HG SER A 452 2.306 9.976 2.377 1.00 22.55 H new ATOM 920 N TYR A 453 2.751 12.235 -1.968 1.00 65.04 N ATOM 921 CA TYR A 453 3.977 13.074 -2.348 1.00 74.24 C ATOM 922 C TYR A 453 3.983 14.517 -1.682 1.00 31.45 C ATOM 923 O TYR A 453 3.027 14.864 -0.991 1.00 31.43 O ATOM 924 CB TYR A 453 4.026 13.298 -3.883 1.00 50.51 C ATOM 925 CG TYR A 453 4.405 12.141 -4.813 1.00 20.13 C ATOM 926 CD1 TYR A 453 5.706 11.623 -4.949 1.00 73.01 C ATOM 927 CD2 TYR A 453 3.420 11.591 -5.608 1.00 61.34 C ATOM 928 CE1 TYR A 453 5.966 10.589 -5.848 1.00 22.33 C ATOM 929 CE2 TYR A 453 3.674 10.571 -6.493 1.00 64.10 C ATOM 930 CZ TYR A 453 4.944 10.069 -6.614 1.00 54.13 C ATOM 931 OH TYR A 453 5.195 9.048 -7.503 1.00 23.02 O ATOM 0 H TYR A 453 1.866 12.618 -2.301 1.00 65.04 H new ATOM 0 HA TYR A 453 4.835 12.507 -1.986 1.00 74.24 H new ATOM 0 HB2 TYR A 453 3.042 13.653 -4.191 1.00 50.51 H new ATOM 0 HB3 TYR A 453 4.730 14.109 -4.070 1.00 50.51 H new ATOM 0 HD1 TYR A 453 6.510 12.029 -4.353 1.00 73.01 H new ATOM 0 HD2 TYR A 453 2.414 11.976 -5.532 1.00 61.34 H new ATOM 0 HE1 TYR A 453 6.967 10.196 -5.944 1.00 22.33 H new ATOM 0 HE2 TYR A 453 2.873 10.165 -7.093 1.00 64.10 H new ATOM 0 HH TYR A 453 5.977 8.538 -7.203 1.00 23.02 H new ATOM 941 N ASP A 454 5.075 15.368 -1.909 1.00 74.54 N ATOM 942 CA ASP A 454 5.193 16.724 -1.257 1.00 54.40 C ATOM 943 C ASP A 454 4.411 17.905 -1.960 1.00 75.01 C ATOM 944 O ASP A 454 4.051 18.839 -1.243 1.00 60.40 O ATOM 945 CB ASP A 454 6.688 17.173 -1.016 1.00 22.43 C ATOM 946 CG ASP A 454 7.067 17.194 0.462 1.00 62.51 C ATOM 947 OD1 ASP A 454 7.462 16.147 0.999 1.00 12.03 O ATOM 948 OD2 ASP A 454 6.994 18.287 1.077 1.00 73.32 O ATOM 0 H ASP A 454 5.855 15.133 -2.523 1.00 74.54 H new ATOM 0 HA ASP A 454 4.699 16.549 -0.301 1.00 54.40 H new ATOM 0 HB2 ASP A 454 7.356 16.496 -1.548 1.00 22.43 H new ATOM 0 HB3 ASP A 454 6.837 18.166 -1.439 1.00 22.43 H new ATOM 953 N ASN A 455 4.108 17.914 -3.326 1.00 72.11 N ATOM 954 CA ASN A 455 3.383 19.093 -3.937 1.00 25.13 C ATOM 955 C ASN A 455 2.579 18.784 -5.238 1.00 1.42 C ATOM 956 O ASN A 455 3.040 17.930 -5.987 1.00 5.53 O ATOM 957 CB ASN A 455 4.244 20.386 -4.042 1.00 2.04 C ATOM 958 CG ASN A 455 5.584 20.329 -4.798 1.00 41.24 C ATOM 959 OD1 ASN A 455 5.953 21.301 -5.445 1.00 53.42 O ATOM 960 ND2 ASN A 455 6.327 19.238 -4.715 1.00 53.14 N ATOM 0 H ASN A 455 4.342 17.165 -3.977 1.00 72.11 H new ATOM 0 HA ASN A 455 2.614 19.312 -3.197 1.00 25.13 H new ATOM 0 HB2 ASN A 455 3.631 21.153 -4.516 1.00 2.04 H new ATOM 0 HB3 ASN A 455 4.452 20.726 -3.028 1.00 2.04 H new ATOM 0 HD21 ASN A 455 7.226 19.195 -5.195 1.00 53.14 H new ATOM 0 HD22 ASN A 455 6.001 18.439 -4.171 1.00 53.14 H new ATOM 967 N PRO A 456 1.326 19.421 -5.533 1.00 4.12 N ATOM 968 CA PRO A 456 0.476 19.054 -6.714 1.00 25.43 C ATOM 969 C PRO A 456 1.111 19.052 -8.173 1.00 53.10 C ATOM 970 O PRO A 456 0.432 18.616 -9.106 1.00 60.32 O ATOM 971 CB PRO A 456 -0.762 20.005 -6.613 1.00 22.43 C ATOM 972 CG PRO A 456 -0.420 21.021 -5.593 1.00 72.21 C ATOM 973 CD PRO A 456 0.475 20.296 -4.660 1.00 53.45 C ATOM 0 HA PRO A 456 0.258 17.989 -6.632 1.00 25.43 H new ATOM 0 HB2 PRO A 456 -0.972 20.474 -7.574 1.00 22.43 H new ATOM 0 HB3 PRO A 456 -1.656 19.451 -6.326 1.00 22.43 H new ATOM 0 HG2 PRO A 456 0.078 21.882 -6.038 1.00 72.21 H new ATOM 0 HG3 PRO A 456 -1.310 21.394 -5.086 1.00 72.21 H new ATOM 0 HD2 PRO A 456 1.086 20.989 -4.082 1.00 53.45 H new ATOM 0 HD3 PRO A 456 -0.097 19.703 -3.946 1.00 53.45 H new ATOM 981 N VAL A 457 2.383 19.523 -8.383 1.00 65.35 N ATOM 982 CA VAL A 457 3.084 19.390 -9.718 1.00 12.42 C ATOM 983 C VAL A 457 3.588 17.910 -9.942 1.00 23.14 C ATOM 984 O VAL A 457 3.449 17.401 -11.059 1.00 53.02 O ATOM 985 CB VAL A 457 4.279 20.450 -9.934 1.00 2.41 C ATOM 986 CG1 VAL A 457 5.021 20.264 -11.276 1.00 55.02 C ATOM 987 CG2 VAL A 457 3.813 21.927 -9.906 1.00 50.30 C ATOM 0 H VAL A 457 2.938 19.989 -7.665 1.00 65.35 H new ATOM 0 HA VAL A 457 2.338 19.629 -10.475 1.00 12.42 H new ATOM 0 HB VAL A 457 4.939 20.244 -9.092 1.00 2.41 H new ATOM 0 HG11 VAL A 457 5.813 21.008 -11.360 1.00 55.02 H new ATOM 0 HG12 VAL A 457 5.456 19.265 -11.316 1.00 55.02 H new ATOM 0 HG13 VAL A 457 4.319 20.387 -12.100 1.00 55.02 H new ATOM 0 HG21 VAL A 457 4.671 22.582 -10.058 1.00 50.30 H new ATOM 0 HG22 VAL A 457 3.084 22.094 -10.699 1.00 50.30 H new ATOM 0 HG23 VAL A 457 3.356 22.146 -8.941 1.00 50.30 H new ATOM 997 N SER A 458 4.098 17.183 -8.885 1.00 54.11 N ATOM 998 CA SER A 458 4.635 15.789 -9.083 1.00 51.54 C ATOM 999 C SER A 458 3.527 14.700 -9.339 1.00 74.41 C ATOM 1000 O SER A 458 3.830 13.658 -9.935 1.00 50.34 O ATOM 1001 CB SER A 458 5.627 15.343 -7.944 1.00 52.44 C ATOM 1002 OG SER A 458 5.166 15.714 -6.658 1.00 1.33 O ATOM 0 H SER A 458 4.147 17.525 -7.925 1.00 54.11 H new ATOM 0 HA SER A 458 5.209 15.855 -10.007 1.00 51.54 H new ATOM 0 HB2 SER A 458 5.759 14.262 -7.983 1.00 52.44 H new ATOM 0 HB3 SER A 458 6.605 15.790 -8.121 1.00 52.44 H new ATOM 0 HG SER A 458 5.810 15.417 -5.981 1.00 1.33 H new ATOM 1008 N ALA A 459 2.252 14.947 -8.909 1.00 4.25 N ATOM 1009 CA ALA A 459 1.107 14.012 -9.171 1.00 11.44 C ATOM 1010 C ALA A 459 0.731 13.866 -10.674 1.00 32.21 C ATOM 1011 O ALA A 459 0.396 12.756 -11.094 1.00 11.13 O ATOM 1012 CB ALA A 459 -0.170 14.296 -8.372 1.00 31.32 C ATOM 0 H ALA A 459 1.991 15.780 -8.382 1.00 4.25 H new ATOM 0 HA ALA A 459 1.519 13.068 -8.814 1.00 11.44 H new ATOM 0 HB1 ALA A 459 -0.934 13.565 -8.635 1.00 31.32 H new ATOM 0 HB2 ALA A 459 0.045 14.228 -7.306 1.00 31.32 H new ATOM 0 HB3 ALA A 459 -0.531 15.298 -8.606 1.00 31.32 H new ATOM 1018 N GLN A 460 0.782 14.971 -11.489 1.00 41.31 N ATOM 1019 CA GLN A 460 0.300 14.940 -12.897 1.00 34.21 C ATOM 1020 C GLN A 460 1.212 14.081 -13.799 1.00 24.01 C ATOM 1021 O GLN A 460 0.722 13.427 -14.725 1.00 50.31 O ATOM 1022 CB GLN A 460 0.089 16.353 -13.512 1.00 33.41 C ATOM 1023 CG GLN A 460 -0.989 17.210 -12.794 1.00 15.20 C ATOM 1024 CD GLN A 460 -2.209 16.435 -12.300 1.00 63.31 C ATOM 1025 OE1 GLN A 460 -3.161 16.210 -13.041 1.00 61.44 O ATOM 1026 NE2 GLN A 460 -2.205 16.086 -11.017 1.00 10.14 N ATOM 0 H GLN A 460 1.147 15.876 -11.193 1.00 41.31 H new ATOM 0 HA GLN A 460 -0.682 14.470 -12.854 1.00 34.21 H new ATOM 0 HB2 GLN A 460 1.037 16.891 -13.490 1.00 33.41 H new ATOM 0 HB3 GLN A 460 -0.191 16.242 -14.560 1.00 33.41 H new ATOM 0 HG2 GLN A 460 -0.526 17.710 -11.943 1.00 15.20 H new ATOM 0 HG3 GLN A 460 -1.325 17.990 -13.477 1.00 15.20 H new ATOM 0 HE21 GLN A 460 -1.393 16.292 -10.435 1.00 10.14 H new ATOM 0 HE22 GLN A 460 -3.014 15.613 -10.615 1.00 10.14 H new ATOM 1035 N ALA A 461 2.537 14.070 -13.514 1.00 52.43 N ATOM 1036 CA ALA A 461 3.472 13.193 -14.245 1.00 14.11 C ATOM 1037 C ALA A 461 3.313 11.684 -13.870 1.00 75.53 C ATOM 1038 O ALA A 461 3.455 10.841 -14.762 1.00 13.55 O ATOM 1039 CB ALA A 461 4.941 13.670 -14.139 1.00 34.34 C ATOM 0 H ALA A 461 2.972 14.649 -12.796 1.00 52.43 H new ATOM 0 HA ALA A 461 3.193 13.275 -15.295 1.00 14.11 H new ATOM 0 HB1 ALA A 461 5.586 12.989 -14.695 1.00 34.34 H new ATOM 0 HB2 ALA A 461 5.029 14.674 -14.555 1.00 34.34 H new ATOM 0 HB3 ALA A 461 5.244 13.684 -13.092 1.00 34.34 H new ATOM 1045 N ALA A 462 3.015 11.320 -12.579 1.00 3.53 N ATOM 1046 CA ALA A 462 2.765 9.902 -12.225 1.00 31.32 C ATOM 1047 C ALA A 462 1.468 9.320 -12.827 1.00 23.04 C ATOM 1048 O ALA A 462 1.507 8.177 -13.237 1.00 55.03 O ATOM 1049 CB ALA A 462 2.842 9.615 -10.708 1.00 70.22 C ATOM 0 H ALA A 462 2.946 11.973 -11.799 1.00 3.53 H new ATOM 0 HA ALA A 462 3.595 9.376 -12.696 1.00 31.32 H new ATOM 0 HB1 ALA A 462 2.648 8.558 -10.527 1.00 70.22 H new ATOM 0 HB2 ALA A 462 3.836 9.870 -10.339 1.00 70.22 H new ATOM 0 HB3 ALA A 462 2.096 10.215 -10.186 1.00 70.22 H new ATOM 1055 N ILE A 463 0.332 10.083 -12.915 1.00 31.55 N ATOM 1056 CA ILE A 463 -0.916 9.576 -13.512 1.00 42.44 C ATOM 1057 C ILE A 463 -0.694 9.124 -15.007 1.00 30.12 C ATOM 1058 O ILE A 463 -1.238 8.102 -15.374 1.00 42.15 O ATOM 1059 CB ILE A 463 -2.124 10.615 -13.304 1.00 40.21 C ATOM 1060 CG1 ILE A 463 -2.419 10.802 -11.743 1.00 41.05 C ATOM 1061 CG2 ILE A 463 -3.415 10.224 -14.077 1.00 11.42 C ATOM 1062 CD1 ILE A 463 -3.595 11.711 -11.330 1.00 40.12 C ATOM 0 H ILE A 463 0.271 11.044 -12.578 1.00 31.55 H new ATOM 0 HA ILE A 463 -1.219 8.673 -12.982 1.00 42.44 H new ATOM 0 HB ILE A 463 -1.804 11.566 -13.729 1.00 40.21 H new ATOM 0 HG12 ILE A 463 -2.595 9.815 -11.316 1.00 41.05 H new ATOM 0 HG13 ILE A 463 -1.515 11.194 -11.277 1.00 41.05 H new ATOM 0 HG21 ILE A 463 -4.189 10.968 -13.892 1.00 11.42 H new ATOM 0 HG22 ILE A 463 -3.201 10.181 -15.145 1.00 11.42 H new ATOM 0 HG23 ILE A 463 -3.761 9.248 -13.737 1.00 11.42 H new ATOM 0 HD11 ILE A 463 -3.669 11.738 -10.243 1.00 40.12 H new ATOM 0 HD12 ILE A 463 -3.426 12.719 -11.708 1.00 40.12 H new ATOM 0 HD13 ILE A 463 -4.522 11.318 -11.747 1.00 40.12 H new ATOM 1074 N GLN A 464 0.166 9.817 -15.837 1.00 55.15 N ATOM 1075 CA GLN A 464 0.568 9.275 -17.196 1.00 44.03 C ATOM 1076 C GLN A 464 1.350 7.900 -17.159 1.00 41.41 C ATOM 1077 O GLN A 464 0.900 6.951 -17.803 1.00 4.13 O ATOM 1078 CB GLN A 464 1.380 10.332 -18.054 1.00 71.15 C ATOM 1079 CG GLN A 464 0.609 11.186 -19.110 1.00 11.02 C ATOM 1080 CD GLN A 464 -0.739 11.848 -18.706 1.00 11.24 C ATOM 1081 OE1 GLN A 464 -1.796 11.228 -18.839 1.00 24.02 O ATOM 1082 NE2 GLN A 464 -0.706 13.114 -18.243 1.00 60.44 N ATOM 0 H GLN A 464 0.582 10.719 -15.603 1.00 55.15 H new ATOM 0 HA GLN A 464 -0.387 9.075 -17.682 1.00 44.03 H new ATOM 0 HB2 GLN A 464 1.864 11.020 -17.361 1.00 71.15 H new ATOM 0 HB3 GLN A 464 2.173 9.796 -18.576 1.00 71.15 H new ATOM 0 HG2 GLN A 464 1.278 11.979 -19.444 1.00 11.02 H new ATOM 0 HG3 GLN A 464 0.417 10.548 -19.972 1.00 11.02 H new ATOM 0 HE21 GLN A 464 0.186 13.598 -18.145 1.00 60.44 H new ATOM 0 HE22 GLN A 464 -1.573 13.587 -17.991 1.00 60.44 H new ATOM 1091 N ALA A 465 2.503 7.774 -16.440 1.00 42.51 N ATOM 1092 CA ALA A 465 3.318 6.479 -16.440 1.00 23.40 C ATOM 1093 C ALA A 465 2.708 5.311 -15.542 1.00 53.43 C ATOM 1094 O ALA A 465 3.261 4.209 -15.485 1.00 44.43 O ATOM 1095 CB ALA A 465 4.825 6.724 -16.090 1.00 34.45 C ATOM 0 H ALA A 465 2.897 8.518 -15.863 1.00 42.51 H new ATOM 0 HA ALA A 465 3.257 6.125 -17.469 1.00 23.40 H new ATOM 0 HB1 ALA A 465 5.361 5.775 -16.103 1.00 34.45 H new ATOM 0 HB2 ALA A 465 5.264 7.399 -16.825 1.00 34.45 H new ATOM 0 HB3 ALA A 465 4.900 7.169 -15.098 1.00 34.45 H new ATOM 1101 N MET A 466 1.570 5.584 -14.867 1.00 71.53 N ATOM 1102 CA MET A 466 0.883 4.683 -13.875 1.00 62.50 C ATOM 1103 C MET A 466 -0.565 4.342 -14.296 1.00 44.31 C ATOM 1104 O MET A 466 -1.148 3.419 -13.726 1.00 50.14 O ATOM 1105 CB MET A 466 0.884 5.251 -12.406 1.00 54.43 C ATOM 1106 CG MET A 466 2.170 5.050 -11.588 1.00 61.54 C ATOM 1107 SD MET A 466 3.645 5.824 -12.281 1.00 50.12 S ATOM 1108 CE MET A 466 4.856 5.441 -11.020 1.00 52.14 C ATOM 0 H MET A 466 1.075 6.467 -14.992 1.00 71.53 H new ATOM 0 HA MET A 466 1.477 3.769 -13.877 1.00 62.50 H new ATOM 0 HB2 MET A 466 0.675 6.320 -12.454 1.00 54.43 H new ATOM 0 HB3 MET A 466 0.060 4.790 -11.862 1.00 54.43 H new ATOM 0 HG2 MET A 466 2.009 5.444 -10.584 1.00 61.54 H new ATOM 0 HG3 MET A 466 2.354 3.981 -11.485 1.00 61.54 H new ATOM 0 HE1 MET A 466 5.823 5.855 -11.306 1.00 52.14 H new ATOM 0 HE2 MET A 466 4.542 5.875 -10.071 1.00 52.14 H new ATOM 0 HE3 MET A 466 4.941 4.360 -10.914 1.00 52.14 H new ATOM 1118 N ASN A 467 -1.195 5.063 -15.261 1.00 64.42 N ATOM 1119 CA ASN A 467 -2.400 4.517 -15.874 1.00 22.41 C ATOM 1120 C ASN A 467 -1.955 3.493 -16.991 1.00 22.51 C ATOM 1121 O ASN A 467 -1.145 3.847 -17.850 1.00 33.23 O ATOM 1122 CB ASN A 467 -3.459 5.584 -16.366 1.00 65.45 C ATOM 1123 CG ASN A 467 -3.040 6.725 -17.309 1.00 4.24 C ATOM 1124 OD1 ASN A 467 -3.650 7.790 -17.259 1.00 2.15 O ATOM 1125 ND2 ASN A 467 -2.076 6.542 -18.180 1.00 75.12 N ATOM 0 H ASN A 467 -0.896 5.975 -15.607 1.00 64.42 H new ATOM 0 HA ASN A 467 -2.967 3.999 -15.101 1.00 22.41 H new ATOM 0 HB2 ASN A 467 -4.261 5.036 -16.861 1.00 65.45 H new ATOM 0 HB3 ASN A 467 -3.889 6.044 -15.476 1.00 65.45 H new ATOM 0 HD21 ASN A 467 -1.825 7.289 -18.827 1.00 75.12 H new ATOM 0 HD22 ASN A 467 -1.578 5.652 -18.210 1.00 75.12 H new ATOM 1132 N GLY A 468 -2.418 2.224 -16.984 1.00 24.01 N ATOM 1133 CA GLY A 468 -1.939 1.263 -18.014 1.00 32.42 C ATOM 1134 C GLY A 468 -0.755 0.299 -17.694 1.00 73.01 C ATOM 1135 O GLY A 468 -0.250 -0.271 -18.661 1.00 12.32 O ATOM 0 H GLY A 468 -3.090 1.849 -16.314 1.00 24.01 H new ATOM 0 HA2 GLY A 468 -2.790 0.646 -18.302 1.00 32.42 H new ATOM 0 HA3 GLY A 468 -1.655 1.844 -18.892 1.00 32.42 H new ATOM 1139 N PHE A 469 -0.276 0.073 -16.429 1.00 71.41 N ATOM 1140 CA PHE A 469 1.018 -0.669 -16.268 1.00 63.11 C ATOM 1141 C PHE A 469 0.770 -2.224 -16.358 1.00 11.41 C ATOM 1142 O PHE A 469 0.101 -2.788 -15.485 1.00 11.22 O ATOM 1143 CB PHE A 469 1.755 -0.289 -14.916 1.00 51.04 C ATOM 1144 CG PHE A 469 3.304 -0.211 -14.970 1.00 13.42 C ATOM 1145 CD1 PHE A 469 4.085 -1.298 -15.361 1.00 4.24 C ATOM 1146 CD2 PHE A 469 3.982 0.952 -14.592 1.00 21.43 C ATOM 1147 CE1 PHE A 469 5.473 -1.222 -15.374 1.00 73.25 C ATOM 1148 CE2 PHE A 469 5.372 1.020 -14.611 1.00 34.12 C ATOM 1149 CZ PHE A 469 6.105 -0.068 -15.000 1.00 53.04 C ATOM 0 H PHE A 469 -0.728 0.369 -15.564 1.00 71.41 H new ATOM 0 HA PHE A 469 1.676 -0.370 -17.084 1.00 63.11 H new ATOM 0 HB2 PHE A 469 1.376 0.677 -14.581 1.00 51.04 H new ATOM 0 HB3 PHE A 469 1.476 -1.021 -14.158 1.00 51.04 H new ATOM 0 HD1 PHE A 469 3.602 -2.217 -15.660 1.00 4.24 H new ATOM 0 HD2 PHE A 469 3.415 1.816 -14.279 1.00 21.43 H new ATOM 0 HE1 PHE A 469 6.055 -2.078 -15.681 1.00 73.25 H new ATOM 0 HE2 PHE A 469 5.872 1.932 -14.319 1.00 34.12 H new ATOM 0 HZ PHE A 469 7.184 -0.016 -15.012 1.00 53.04 H new ATOM 1159 N GLN A 470 1.273 -2.911 -17.435 1.00 71.43 N ATOM 1160 CA GLN A 470 1.020 -4.364 -17.660 1.00 54.52 C ATOM 1161 C GLN A 470 2.231 -5.297 -17.208 1.00 22.01 C ATOM 1162 O GLN A 470 3.349 -5.118 -17.691 1.00 51.44 O ATOM 1163 CB GLN A 470 0.687 -4.476 -19.172 1.00 24.15 C ATOM 1164 CG GLN A 470 0.357 -5.872 -19.781 1.00 2.44 C ATOM 1165 CD GLN A 470 0.042 -5.829 -21.261 1.00 52.23 C ATOM 1166 OE1 GLN A 470 0.201 -6.817 -21.973 1.00 54.43 O ATOM 1167 NE2 GLN A 470 -0.348 -4.680 -21.740 1.00 21.23 N ATOM 0 H GLN A 470 1.853 -2.478 -18.154 1.00 71.43 H new ATOM 0 HA GLN A 470 0.200 -4.727 -17.041 1.00 54.52 H new ATOM 0 HB2 GLN A 470 -0.164 -3.824 -19.369 1.00 24.15 H new ATOM 0 HB3 GLN A 470 1.534 -4.070 -19.725 1.00 24.15 H new ATOM 0 HG2 GLN A 470 1.203 -6.539 -19.617 1.00 2.44 H new ATOM 0 HG3 GLN A 470 -0.493 -6.299 -19.249 1.00 2.44 H new ATOM 0 HE21 GLN A 470 -0.469 -3.882 -21.116 1.00 21.23 H new ATOM 0 HE22 GLN A 470 -0.532 -4.580 -22.738 1.00 21.23 H new ATOM 1176 N ILE A 471 1.996 -6.285 -16.254 1.00 62.13 N ATOM 1177 CA ILE A 471 3.082 -7.158 -15.616 1.00 32.51 C ATOM 1178 C ILE A 471 2.462 -8.570 -15.306 1.00 74.21 C ATOM 1179 O ILE A 471 1.796 -8.690 -14.265 1.00 53.13 O ATOM 1180 CB ILE A 471 3.611 -6.581 -14.217 1.00 13.52 C ATOM 1181 CG1 ILE A 471 3.558 -5.026 -14.216 1.00 45.13 C ATOM 1182 CG2 ILE A 471 5.032 -7.057 -13.860 1.00 34.02 C ATOM 1183 CD1 ILE A 471 4.142 -4.297 -12.999 1.00 44.34 C ATOM 0 H ILE A 471 1.060 -6.498 -15.908 1.00 62.13 H new ATOM 0 HA ILE A 471 3.914 -7.192 -16.319 1.00 32.51 H new ATOM 0 HB ILE A 471 2.943 -6.976 -13.451 1.00 13.52 H new ATOM 0 HG12 ILE A 471 4.082 -4.671 -15.104 1.00 45.13 H new ATOM 0 HG13 ILE A 471 2.515 -4.725 -14.320 1.00 45.13 H new ATOM 0 HG21 ILE A 471 5.329 -6.630 -12.902 1.00 34.02 H new ATOM 0 HG22 ILE A 471 5.045 -8.145 -13.792 1.00 34.02 H new ATOM 0 HG23 ILE A 471 5.729 -6.733 -14.633 1.00 34.02 H new ATOM 0 HD11 ILE A 471 4.037 -3.221 -13.135 1.00 44.34 H new ATOM 0 HD12 ILE A 471 3.607 -4.603 -12.100 1.00 44.34 H new ATOM 0 HD13 ILE A 471 5.198 -4.548 -12.896 1.00 44.34 H new ATOM 1195 N GLY A 472 2.611 -9.627 -16.182 1.00 51.20 N ATOM 1196 CA GLY A 472 1.976 -10.937 -15.909 1.00 41.44 C ATOM 1197 C GLY A 472 0.403 -10.882 -16.033 1.00 63.34 C ATOM 1198 O GLY A 472 -0.099 -10.326 -17.014 1.00 3.41 O ATOM 0 H GLY A 472 3.148 -9.585 -17.048 1.00 51.20 H new ATOM 0 HA2 GLY A 472 2.367 -11.679 -16.605 1.00 41.44 H new ATOM 0 HA3 GLY A 472 2.247 -11.267 -14.906 1.00 41.44 H new ATOM 1202 N MET A 473 -0.372 -11.407 -15.041 1.00 4.20 N ATOM 1203 CA MET A 473 -1.892 -11.522 -15.152 1.00 41.11 C ATOM 1204 C MET A 473 -2.702 -10.426 -14.372 1.00 44.13 C ATOM 1205 O MET A 473 -3.865 -10.636 -14.014 1.00 55.04 O ATOM 1206 CB MET A 473 -2.338 -13.006 -14.820 1.00 10.24 C ATOM 1207 CG MET A 473 -2.259 -13.559 -13.369 1.00 74.41 C ATOM 1208 SD MET A 473 -3.754 -13.293 -12.402 1.00 32.41 S ATOM 1209 CE MET A 473 -3.220 -13.850 -10.787 1.00 63.05 C ATOM 0 H MET A 473 0.005 -11.758 -14.161 1.00 4.20 H new ATOM 0 HA MET A 473 -2.154 -11.305 -16.187 1.00 41.11 H new ATOM 0 HB2 MET A 473 -3.373 -13.109 -15.145 1.00 10.24 H new ATOM 0 HB3 MET A 473 -1.740 -13.667 -15.447 1.00 10.24 H new ATOM 0 HG2 MET A 473 -2.050 -14.628 -13.409 1.00 74.41 H new ATOM 0 HG3 MET A 473 -1.419 -13.089 -12.857 1.00 74.41 H new ATOM 0 HE1 MET A 473 -4.040 -13.746 -10.077 1.00 63.05 H new ATOM 0 HE2 MET A 473 -2.919 -14.896 -10.844 1.00 63.05 H new ATOM 0 HE3 MET A 473 -2.375 -13.247 -10.455 1.00 63.05 H new ATOM 1219 N LYS A 474 -2.137 -9.203 -14.214 1.00 40.53 N ATOM 1220 CA LYS A 474 -2.815 -8.112 -13.500 1.00 62.10 C ATOM 1221 C LYS A 474 -2.550 -6.774 -14.255 1.00 72.53 C ATOM 1222 O LYS A 474 -1.466 -6.606 -14.831 1.00 23.12 O ATOM 1223 CB LYS A 474 -2.332 -7.924 -12.020 1.00 75.35 C ATOM 1224 CG LYS A 474 -2.917 -8.866 -10.905 1.00 43.12 C ATOM 1225 CD LYS A 474 -4.271 -8.375 -10.378 1.00 71.25 C ATOM 1226 CE LYS A 474 -4.834 -9.191 -9.197 1.00 74.12 C ATOM 1227 NZ LYS A 474 -3.846 -9.355 -8.085 1.00 42.22 N ATOM 0 H LYS A 474 -1.215 -8.956 -14.574 1.00 40.53 H new ATOM 0 HA LYS A 474 -3.872 -8.377 -13.470 1.00 62.10 H new ATOM 0 HB2 LYS A 474 -1.248 -8.036 -12.010 1.00 75.35 H new ATOM 0 HB3 LYS A 474 -2.549 -6.896 -11.730 1.00 75.35 H new ATOM 0 HG2 LYS A 474 -3.030 -9.873 -11.306 1.00 43.12 H new ATOM 0 HG3 LYS A 474 -2.209 -8.929 -10.078 1.00 43.12 H new ATOM 0 HD2 LYS A 474 -4.170 -7.335 -10.068 1.00 71.25 H new ATOM 0 HD3 LYS A 474 -4.993 -8.396 -11.194 1.00 71.25 H new ATOM 0 HE2 LYS A 474 -5.728 -8.698 -8.814 1.00 74.12 H new ATOM 0 HE3 LYS A 474 -5.140 -10.175 -9.553 1.00 74.12 H new ATOM 0 HZ1 LYS A 474 -4.343 -9.646 -7.219 1.00 42.22 H new ATOM 0 HZ2 LYS A 474 -3.148 -10.081 -8.345 1.00 42.22 H new ATOM 0 HZ3 LYS A 474 -3.359 -8.451 -7.917 1.00 42.22 H new ATOM 1241 N ARG A 475 -3.508 -5.834 -14.283 1.00 43.30 N ATOM 1242 CA ARG A 475 -3.165 -4.440 -14.655 1.00 20.54 C ATOM 1243 C ARG A 475 -3.178 -3.480 -13.398 1.00 55.13 C ATOM 1244 O ARG A 475 -4.108 -3.567 -12.600 1.00 30.51 O ATOM 1245 CB ARG A 475 -4.129 -3.835 -15.741 1.00 74.21 C ATOM 1246 CG ARG A 475 -3.634 -2.535 -16.379 1.00 52.10 C ATOM 1247 CD ARG A 475 -3.221 -2.771 -17.842 1.00 2.44 C ATOM 1248 NE ARG A 475 -2.645 -4.115 -18.026 1.00 70.12 N ATOM 1249 CZ ARG A 475 -3.203 -5.105 -18.773 1.00 51.21 C ATOM 1250 NH1 ARG A 475 -4.352 -4.916 -19.419 1.00 51.04 N ATOM 1251 NH2 ARG A 475 -2.690 -6.330 -18.728 1.00 72.52 N ATOM 0 H ARG A 475 -4.491 -5.996 -14.063 1.00 43.30 H new ATOM 0 HA ARG A 475 -2.160 -4.501 -15.074 1.00 20.54 H new ATOM 0 HB2 ARG A 475 -4.280 -4.575 -16.527 1.00 74.21 H new ATOM 0 HB3 ARG A 475 -5.101 -3.653 -15.284 1.00 74.21 H new ATOM 0 HG2 ARG A 475 -4.419 -1.780 -16.335 1.00 52.10 H new ATOM 0 HG3 ARG A 475 -2.786 -2.147 -15.815 1.00 52.10 H new ATOM 0 HD2 ARG A 475 -4.089 -2.653 -18.491 1.00 2.44 H new ATOM 0 HD3 ARG A 475 -2.494 -2.017 -18.143 1.00 2.44 H new ATOM 0 HE ARG A 475 -1.762 -4.318 -17.558 1.00 70.12 H new ATOM 0 HH11 ARG A 475 -4.829 -4.017 -19.358 1.00 51.04 H new ATOM 0 HH12 ARG A 475 -4.755 -5.671 -19.974 1.00 51.04 H new ATOM 0 HH21 ARG A 475 -1.882 -6.523 -18.136 1.00 72.52 H new ATOM 0 HH22 ARG A 475 -3.104 -7.077 -19.286 1.00 72.52 H new ATOM 1265 N LEU A 476 -2.157 -2.578 -13.227 1.00 1.13 N ATOM 1266 CA LEU A 476 -2.253 -1.416 -12.269 1.00 42.21 C ATOM 1267 C LEU A 476 -3.375 -0.378 -12.732 1.00 13.31 C ATOM 1268 O LEU A 476 -3.322 0.062 -13.887 1.00 34.02 O ATOM 1269 CB LEU A 476 -0.893 -0.613 -12.229 1.00 44.22 C ATOM 1270 CG LEU A 476 -0.546 0.263 -10.987 1.00 15.43 C ATOM 1271 CD1 LEU A 476 0.172 -0.512 -9.861 1.00 23.51 C ATOM 1272 CD2 LEU A 476 0.333 1.438 -11.392 1.00 51.42 C ATOM 0 H LEU A 476 -1.271 -2.629 -13.730 1.00 1.13 H new ATOM 0 HA LEU A 476 -2.494 -1.837 -11.293 1.00 42.21 H new ATOM 0 HB2 LEU A 476 -0.086 -1.335 -12.353 1.00 44.22 H new ATOM 0 HB3 LEU A 476 -0.875 0.039 -13.102 1.00 44.22 H new ATOM 0 HG LEU A 476 -1.505 0.604 -10.597 1.00 15.43 H new ATOM 0 HD11 LEU A 476 0.381 0.163 -9.031 1.00 23.51 H new ATOM 0 HD12 LEU A 476 -0.466 -1.326 -9.515 1.00 23.51 H new ATOM 0 HD13 LEU A 476 1.108 -0.921 -10.241 1.00 23.51 H new ATOM 0 HD21 LEU A 476 0.565 2.039 -10.513 1.00 51.42 H new ATOM 0 HD22 LEU A 476 1.258 1.066 -11.832 1.00 51.42 H new ATOM 0 HD23 LEU A 476 -0.194 2.052 -12.122 1.00 51.42 H new ATOM 1284 N LYS A 477 -4.386 0.011 -11.871 1.00 64.31 N ATOM 1285 CA LYS A 477 -5.324 1.182 -12.230 1.00 21.52 C ATOM 1286 C LYS A 477 -5.328 2.271 -11.061 1.00 11.44 C ATOM 1287 O LYS A 477 -5.769 1.956 -9.953 1.00 73.24 O ATOM 1288 CB LYS A 477 -6.794 0.724 -12.741 1.00 75.44 C ATOM 1289 CG LYS A 477 -7.997 1.798 -12.940 1.00 65.33 C ATOM 1290 CD LYS A 477 -7.601 3.162 -13.565 1.00 23.02 C ATOM 1291 CE LYS A 477 -8.809 4.140 -13.758 1.00 13.21 C ATOM 1292 NZ LYS A 477 -8.364 5.571 -13.824 1.00 11.34 N ATOM 0 H LYS A 477 -4.578 -0.430 -10.972 1.00 64.31 H new ATOM 0 HA LYS A 477 -4.915 1.672 -13.114 1.00 21.52 H new ATOM 0 HB2 LYS A 477 -6.654 0.224 -13.699 1.00 75.44 H new ATOM 0 HB3 LYS A 477 -7.154 -0.028 -12.038 1.00 75.44 H new ATOM 0 HG2 LYS A 477 -8.762 1.343 -13.568 1.00 65.33 H new ATOM 0 HG3 LYS A 477 -8.453 1.986 -11.968 1.00 65.33 H new ATOM 0 HD2 LYS A 477 -6.856 3.640 -12.929 1.00 23.02 H new ATOM 0 HD3 LYS A 477 -7.130 2.986 -14.532 1.00 23.02 H new ATOM 0 HE2 LYS A 477 -9.342 3.883 -14.673 1.00 13.21 H new ATOM 0 HE3 LYS A 477 -9.512 4.016 -12.934 1.00 13.21 H new ATOM 0 HZ1 LYS A 477 -9.197 6.194 -13.816 1.00 11.34 H new ATOM 0 HZ2 LYS A 477 -7.762 5.786 -13.003 1.00 11.34 H new ATOM 0 HZ3 LYS A 477 -7.824 5.727 -14.699 1.00 11.34 H new ATOM 1306 N VAL A 478 -4.835 3.563 -11.313 1.00 52.32 N ATOM 1307 CA VAL A 478 -4.610 4.597 -10.261 1.00 30.34 C ATOM 1308 C VAL A 478 -5.896 5.492 -10.058 1.00 64.11 C ATOM 1309 O VAL A 478 -6.532 5.853 -11.059 1.00 50.04 O ATOM 1310 CB VAL A 478 -3.314 5.497 -10.656 1.00 73.31 C ATOM 1311 CG1 VAL A 478 -3.446 7.017 -10.504 1.00 1.11 C ATOM 1312 CG2 VAL A 478 -2.064 5.115 -9.880 1.00 42.04 C ATOM 0 H VAL A 478 -4.594 3.886 -12.250 1.00 52.32 H new ATOM 0 HA VAL A 478 -4.415 4.102 -9.310 1.00 30.34 H new ATOM 0 HB VAL A 478 -3.239 5.264 -11.718 1.00 73.31 H new ATOM 0 HG11 VAL A 478 -2.512 7.495 -10.800 1.00 1.11 H new ATOM 0 HG12 VAL A 478 -4.255 7.377 -11.139 1.00 1.11 H new ATOM 0 HG13 VAL A 478 -3.664 7.261 -9.464 1.00 1.11 H new ATOM 0 HG21 VAL A 478 -1.235 5.752 -10.189 1.00 42.04 H new ATOM 0 HG22 VAL A 478 -2.244 5.246 -8.813 1.00 42.04 H new ATOM 0 HG23 VAL A 478 -1.815 4.073 -10.081 1.00 42.04 H new ATOM 1322 N GLN A 479 -6.313 5.826 -8.782 1.00 61.03 N ATOM 1323 CA GLN A 479 -7.423 6.764 -8.538 1.00 73.35 C ATOM 1324 C GLN A 479 -6.956 7.889 -7.535 1.00 43.02 C ATOM 1325 O GLN A 479 -6.175 7.592 -6.633 1.00 41.33 O ATOM 1326 CB GLN A 479 -8.709 5.961 -8.035 1.00 5.42 C ATOM 1327 CG GLN A 479 -8.405 4.756 -7.092 1.00 22.52 C ATOM 1328 CD GLN A 479 -8.428 5.080 -5.596 1.00 14.44 C ATOM 1329 OE1 GLN A 479 -8.283 6.224 -5.176 1.00 3.51 O ATOM 1330 NE2 GLN A 479 -8.518 4.045 -4.766 1.00 2.24 N ATOM 0 H GLN A 479 -5.888 5.453 -7.933 1.00 61.03 H new ATOM 0 HA GLN A 479 -7.710 7.266 -9.462 1.00 73.35 H new ATOM 0 HB2 GLN A 479 -9.370 6.653 -7.514 1.00 5.42 H new ATOM 0 HB3 GLN A 479 -9.253 5.594 -8.905 1.00 5.42 H new ATOM 0 HG2 GLN A 479 -9.132 3.968 -7.289 1.00 22.52 H new ATOM 0 HG3 GLN A 479 -7.424 4.354 -7.346 1.00 22.52 H new ATOM 0 HE21 GLN A 479 -8.638 3.103 -5.137 1.00 2.24 H new ATOM 0 HE22 GLN A 479 -8.467 4.194 -3.758 1.00 2.24 H new