USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=8 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 419 GLN : amide:sc= -1.23 K(o=-2.8,f=-0.4) USER MOD Set 1.2: A 423 GLN : amide:sc= -1.53 K(o=-2.8,f=-0.4) USER MOD Single : A 398 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 399 LYS NZ :NH3+ 168:sc= -0.0485 (180deg=-0.283) USER MOD Single : A 406 ASN : amide:sc= 0.356 K(o=0.36,f=-0.22) USER MOD Single : A 410 TYR OH : rot 180:sc= 0 USER MOD Single : A 411 HIS : no HD1:sc= -0.0086 X(o=-0.0086,f=-0.12) USER MOD Single : A 414 GLN : amide:sc= -2.28! C(o=-2.3!,f=-3!) USER MOD Single : A 424 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 426 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 430 ASN : amide:sc= 0.214 K(o=0.21,f=-3.8!) USER MOD Single : A 433 SER OG : rot 150:sc= -1.11 USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 452 SER OG : rot 180:sc= 0 USER MOD Single : A 453 TYR OH : rot 27:sc= 0.733 USER MOD Single : A 455 ASN : amide:sc= -0.706 K(o=-0.71,f=0) USER MOD Single : A 458 SER OG : rot 180:sc= 0.0435 USER MOD Single : A 460 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 464 GLN : amide:sc= -0.633 K(o=-0.63,f=0) USER MOD Single : A 466 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 467 ASN : amide:sc= 0.74 K(o=0.74,f=-0.092) USER MOD Single : A 470 GLN : amide:sc= -1.11 K(o=-1.1,f=0) USER MOD Single : A 473 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 474 LYS NZ :NH3+ 162:sc= 0.195 (180deg=0.00448) USER MOD Single : A 477 LYS NZ :NH3+ -160:sc= -0.156 (180deg=-0.502) USER MOD Single : A 479 GLN : amide:sc= -0.307 X(o=-0.31,f=-0.0016) USER MOD ----------------------------------------------------------------- ATOM 56 N GLN A 398 0.807 6.902 7.676 1.00 54.54 N ATOM 57 CA GLN A 398 -0.069 7.623 6.706 1.00 33.14 C ATOM 58 C GLN A 398 -0.625 8.968 7.287 1.00 33.44 C ATOM 59 O GLN A 398 -1.755 9.060 7.775 1.00 62.42 O ATOM 60 CB GLN A 398 -1.204 6.669 6.169 1.00 64.12 C ATOM 61 CG GLN A 398 -2.368 7.321 5.331 1.00 20.22 C ATOM 62 CD GLN A 398 -1.945 8.171 4.112 1.00 44.23 C ATOM 63 OE1 GLN A 398 -0.895 7.950 3.526 1.00 24.52 O ATOM 64 NE2 GLN A 398 -2.803 9.123 3.682 1.00 1.43 N ATOM 0 HA GLN A 398 0.544 7.912 5.852 1.00 33.14 H new ATOM 0 HB2 GLN A 398 -0.735 5.902 5.553 1.00 64.12 H new ATOM 0 HB3 GLN A 398 -1.649 6.162 7.025 1.00 64.12 H new ATOM 0 HG2 GLN A 398 -3.024 6.524 4.981 1.00 20.22 H new ATOM 0 HG3 GLN A 398 -2.958 7.950 5.998 1.00 20.22 H new ATOM 0 HE21 GLN A 398 -3.674 9.290 4.186 1.00 1.43 H new ATOM 0 HE22 GLN A 398 -2.580 9.674 2.853 1.00 1.43 H new ATOM 73 N LYS A 399 0.238 9.989 7.313 1.00 33.24 N ATOM 74 CA LYS A 399 -0.194 11.394 7.434 1.00 75.52 C ATOM 75 C LYS A 399 0.115 12.170 6.108 1.00 33.11 C ATOM 76 O LYS A 399 1.264 12.506 5.802 1.00 50.52 O ATOM 77 CB LYS A 399 0.309 12.131 8.747 1.00 43.25 C ATOM 78 CG LYS A 399 1.807 12.492 8.909 1.00 55.31 C ATOM 79 CD LYS A 399 2.740 11.319 8.609 1.00 54.35 C ATOM 80 CE LYS A 399 4.237 11.630 8.829 1.00 74.35 C ATOM 81 NZ LYS A 399 4.471 12.166 10.191 1.00 73.43 N ATOM 0 H LYS A 399 1.249 9.871 7.252 1.00 33.24 H new ATOM 0 HA LYS A 399 -1.276 11.385 7.569 1.00 75.52 H new ATOM 0 HB2 LYS A 399 -0.259 13.057 8.836 1.00 43.25 H new ATOM 0 HB3 LYS A 399 0.033 11.505 9.596 1.00 43.25 H new ATOM 0 HG2 LYS A 399 2.049 13.321 8.244 1.00 55.31 H new ATOM 0 HG3 LYS A 399 1.984 12.838 9.927 1.00 55.31 H new ATOM 0 HD2 LYS A 399 2.459 10.475 9.239 1.00 54.35 H new ATOM 0 HD3 LYS A 399 2.593 11.007 7.575 1.00 54.35 H new ATOM 0 HE2 LYS A 399 4.826 10.724 8.684 1.00 74.35 H new ATOM 0 HE3 LYS A 399 4.575 12.352 8.086 1.00 74.35 H new ATOM 0 HZ1 LYS A 399 5.492 12.176 10.389 1.00 73.43 H new ATOM 0 HZ2 LYS A 399 4.097 13.134 10.252 1.00 73.43 H new ATOM 0 HZ3 LYS A 399 3.989 11.564 10.889 1.00 73.43 H new ATOM 95 N GLU A 400 -0.939 12.350 5.286 1.00 44.12 N ATOM 96 CA GLU A 400 -0.872 13.128 3.997 1.00 33.44 C ATOM 97 C GLU A 400 -0.709 14.661 4.249 1.00 53.42 C ATOM 98 O GLU A 400 -0.918 15.134 5.368 1.00 60.11 O ATOM 99 CB GLU A 400 -2.056 12.836 3.000 1.00 75.31 C ATOM 100 CG GLU A 400 -3.435 13.045 3.586 1.00 32.23 C ATOM 101 CD GLU A 400 -4.143 14.291 3.086 1.00 31.13 C ATOM 102 OE1 GLU A 400 -4.801 14.203 2.031 1.00 61.21 O ATOM 103 OE2 GLU A 400 -4.070 15.344 3.754 1.00 1.45 O ATOM 0 H GLU A 400 -1.865 11.968 5.481 1.00 44.12 H new ATOM 0 HA GLU A 400 0.027 12.765 3.499 1.00 33.44 H new ATOM 0 HB2 GLU A 400 -1.945 13.478 2.126 1.00 75.31 H new ATOM 0 HB3 GLU A 400 -1.975 11.806 2.651 1.00 75.31 H new ATOM 0 HG2 GLU A 400 -4.050 12.175 3.357 1.00 32.23 H new ATOM 0 HG3 GLU A 400 -3.351 13.099 4.671 1.00 32.23 H new ATOM 110 N GLY A 401 -0.359 15.424 3.189 1.00 62.02 N ATOM 111 CA GLY A 401 0.221 16.791 3.368 1.00 10.04 C ATOM 112 C GLY A 401 -0.730 17.906 2.946 1.00 34.12 C ATOM 113 O GLY A 401 -1.730 18.089 3.648 1.00 54.04 O ATOM 0 H GLY A 401 -0.462 15.132 2.217 1.00 62.02 H new ATOM 0 HA2 GLY A 401 0.492 16.930 4.415 1.00 10.04 H new ATOM 0 HA3 GLY A 401 1.141 16.867 2.788 1.00 10.04 H new ATOM 117 N PRO A 402 -0.512 18.703 1.828 1.00 52.15 N ATOM 118 CA PRO A 402 -1.461 19.757 1.529 1.00 73.20 C ATOM 119 C PRO A 402 -2.693 19.233 0.789 1.00 41.44 C ATOM 120 O PRO A 402 -2.636 18.170 0.151 1.00 41.32 O ATOM 121 CB PRO A 402 -0.633 20.702 0.652 1.00 60.21 C ATOM 122 CG PRO A 402 0.156 19.798 -0.179 1.00 72.24 C ATOM 123 CD PRO A 402 0.567 18.672 0.757 1.00 22.01 C ATOM 0 HA PRO A 402 -1.870 20.232 2.421 1.00 73.20 H new ATOM 0 HB2 PRO A 402 -1.269 21.349 0.048 1.00 60.21 H new ATOM 0 HB3 PRO A 402 0.003 21.352 1.253 1.00 60.21 H new ATOM 0 HG2 PRO A 402 -0.428 19.421 -1.019 1.00 72.24 H new ATOM 0 HG3 PRO A 402 1.027 20.303 -0.597 1.00 72.24 H new ATOM 0 HD2 PRO A 402 0.597 17.711 0.243 1.00 22.01 H new ATOM 0 HD3 PRO A 402 1.558 18.840 1.178 1.00 22.01 H new ATOM 131 N GLU A 403 -3.830 19.902 1.010 1.00 53.14 N ATOM 132 CA GLU A 403 -4.952 19.858 0.091 1.00 42.13 C ATOM 133 C GLU A 403 -4.371 20.018 -1.363 1.00 22.31 C ATOM 134 O GLU A 403 -3.807 21.064 -1.718 1.00 54.01 O ATOM 135 CB GLU A 403 -5.965 20.973 0.549 1.00 23.41 C ATOM 136 CG GLU A 403 -5.760 22.417 0.062 1.00 42.40 C ATOM 137 CD GLU A 403 -6.741 22.793 -1.021 1.00 62.25 C ATOM 138 OE1 GLU A 403 -7.876 23.194 -0.693 1.00 4.34 O ATOM 139 OE2 GLU A 403 -6.378 22.681 -2.195 1.00 74.14 O ATOM 0 H GLU A 403 -3.989 20.485 1.831 1.00 53.14 H new ATOM 0 HA GLU A 403 -5.509 18.921 0.091 1.00 42.13 H new ATOM 0 HB2 GLU A 403 -6.961 20.660 0.237 1.00 23.41 H new ATOM 0 HB3 GLU A 403 -5.963 20.991 1.639 1.00 23.41 H new ATOM 0 HG2 GLU A 403 -5.868 23.102 0.903 1.00 42.40 H new ATOM 0 HG3 GLU A 403 -4.743 22.532 -0.314 1.00 42.40 H new ATOM 146 N GLY A 404 -4.395 18.945 -2.166 1.00 61.42 N ATOM 147 CA GLY A 404 -3.647 18.974 -3.389 1.00 14.32 C ATOM 148 C GLY A 404 -3.199 17.584 -3.903 1.00 52.42 C ATOM 149 O GLY A 404 -3.730 17.101 -4.906 1.00 44.22 O ATOM 0 H GLY A 404 -4.911 18.084 -1.984 1.00 61.42 H new ATOM 0 HA2 GLY A 404 -4.252 19.454 -4.158 1.00 14.32 H new ATOM 0 HA3 GLY A 404 -2.763 19.596 -3.245 1.00 14.32 H new ATOM 153 N ALA A 405 -2.223 16.941 -3.217 1.00 61.12 N ATOM 154 CA ALA A 405 -1.651 15.652 -3.665 1.00 74.02 C ATOM 155 C ALA A 405 -2.229 14.468 -2.849 1.00 15.33 C ATOM 156 O ALA A 405 -2.016 14.404 -1.633 1.00 14.33 O ATOM 157 CB ALA A 405 -0.188 15.676 -3.326 1.00 62.21 C ATOM 0 H ALA A 405 -1.817 17.296 -2.351 1.00 61.12 H new ATOM 0 HA ALA A 405 -1.867 15.528 -4.726 1.00 74.02 H new ATOM 0 HB1 ALA A 405 0.274 14.740 -3.641 1.00 62.21 H new ATOM 0 HB2 ALA A 405 0.291 16.508 -3.841 1.00 62.21 H new ATOM 0 HB3 ALA A 405 -0.066 15.797 -2.250 1.00 62.21 H new ATOM 163 N ASN A 406 -2.937 13.533 -3.494 1.00 21.45 N ATOM 164 CA ASN A 406 -3.109 12.117 -2.975 1.00 31.32 C ATOM 165 C ASN A 406 -3.338 11.047 -4.118 1.00 51.14 C ATOM 166 O ASN A 406 -4.384 11.056 -4.767 1.00 72.25 O ATOM 167 CB ASN A 406 -4.244 12.112 -1.870 1.00 34.13 C ATOM 168 CG ASN A 406 -5.245 13.255 -1.942 1.00 64.15 C ATOM 169 OD1 ASN A 406 -5.795 13.576 -2.991 1.00 42.50 O ATOM 170 ND2 ASN A 406 -5.441 13.912 -0.798 1.00 61.31 N ATOM 0 H ASN A 406 -3.412 13.705 -4.380 1.00 21.45 H new ATOM 0 HA ASN A 406 -2.173 11.800 -2.516 1.00 31.32 H new ATOM 0 HB2 ASN A 406 -4.790 11.171 -1.942 1.00 34.13 H new ATOM 0 HB3 ASN A 406 -3.769 12.131 -0.889 1.00 34.13 H new ATOM 0 HD21 ASN A 406 -6.069 14.716 -0.772 1.00 61.31 H new ATOM 0 HD22 ASN A 406 -4.963 13.611 0.051 1.00 61.31 H new ATOM 177 N LEU A 407 -2.356 10.086 -4.331 1.00 61.22 N ATOM 178 CA LEU A 407 -2.482 8.947 -5.317 1.00 34.21 C ATOM 179 C LEU A 407 -2.882 7.582 -4.605 1.00 12.12 C ATOM 180 O LEU A 407 -2.068 7.095 -3.817 1.00 54.12 O ATOM 181 CB LEU A 407 -1.070 8.689 -5.929 1.00 73.32 C ATOM 182 CG LEU A 407 -0.656 9.266 -7.306 1.00 33.42 C ATOM 183 CD1 LEU A 407 0.308 8.319 -7.959 1.00 4.33 C ATOM 184 CD2 LEU A 407 -1.814 9.611 -8.228 1.00 13.32 C ATOM 0 H LEU A 407 -1.469 10.085 -3.827 1.00 61.22 H new ATOM 0 HA LEU A 407 -3.242 9.226 -6.047 1.00 34.21 H new ATOM 0 HB2 LEU A 407 -0.342 9.052 -5.204 1.00 73.32 H new ATOM 0 HB3 LEU A 407 -0.947 7.608 -5.991 1.00 73.32 H new ATOM 0 HG LEU A 407 -0.177 10.227 -7.117 1.00 33.42 H new ATOM 0 HD11 LEU A 407 0.606 8.715 -8.930 1.00 4.33 H new ATOM 0 HD12 LEU A 407 1.189 8.204 -7.328 1.00 4.33 H new ATOM 0 HD13 LEU A 407 -0.170 7.349 -8.095 1.00 4.33 H new ATOM 0 HD21 LEU A 407 -1.426 10.007 -9.166 1.00 13.32 H new ATOM 0 HD22 LEU A 407 -2.400 8.714 -8.427 1.00 13.32 H new ATOM 0 HD23 LEU A 407 -2.447 10.360 -7.752 1.00 13.32 H new ATOM 196 N PHE A 408 -4.075 6.920 -4.846 1.00 14.00 N ATOM 197 CA PHE A 408 -4.275 5.512 -4.292 1.00 53.44 C ATOM 198 C PHE A 408 -4.446 4.447 -5.433 1.00 1.13 C ATOM 199 O PHE A 408 -4.804 4.796 -6.556 1.00 54.22 O ATOM 200 CB PHE A 408 -5.399 5.355 -3.193 1.00 70.30 C ATOM 201 CG PHE A 408 -5.274 6.260 -1.961 1.00 60.31 C ATOM 202 CD1 PHE A 408 -4.036 6.546 -1.378 1.00 45.44 C ATOM 203 CD2 PHE A 408 -6.409 6.808 -1.375 1.00 13.02 C ATOM 204 CE1 PHE A 408 -3.930 7.360 -0.265 1.00 61.15 C ATOM 205 CE2 PHE A 408 -6.315 7.618 -0.252 1.00 31.00 C ATOM 206 CZ PHE A 408 -5.075 7.896 0.302 1.00 72.20 C ATOM 0 H PHE A 408 -4.859 7.298 -5.377 1.00 14.00 H new ATOM 0 HA PHE A 408 -3.344 5.316 -3.760 1.00 53.44 H new ATOM 0 HB2 PHE A 408 -6.365 5.546 -3.661 1.00 70.30 H new ATOM 0 HB3 PHE A 408 -5.407 4.318 -2.857 1.00 70.30 H new ATOM 0 HD1 PHE A 408 -3.141 6.121 -1.807 1.00 45.44 H new ATOM 0 HD2 PHE A 408 -7.380 6.600 -1.800 1.00 13.02 H new ATOM 0 HE1 PHE A 408 -2.961 7.577 0.160 1.00 61.15 H new ATOM 0 HE2 PHE A 408 -7.209 8.032 0.191 1.00 31.00 H new ATOM 0 HZ PHE A 408 -5.002 8.529 1.174 1.00 72.20 H new ATOM 216 N ILE A 409 -4.193 3.138 -5.121 1.00 0.32 N ATOM 217 CA ILE A 409 -3.940 2.060 -6.203 1.00 1.52 C ATOM 218 C ILE A 409 -5.049 0.913 -6.130 1.00 11.24 C ATOM 219 O ILE A 409 -5.115 0.222 -5.110 1.00 23.20 O ATOM 220 CB ILE A 409 -2.462 1.359 -6.183 1.00 11.24 C ATOM 221 CG1 ILE A 409 -1.255 2.311 -6.545 1.00 12.43 C ATOM 222 CG2 ILE A 409 -2.350 0.142 -7.158 1.00 21.40 C ATOM 223 CD1 ILE A 409 -0.985 3.594 -5.742 1.00 72.34 C ATOM 0 H ILE A 409 -4.154 2.784 -4.165 1.00 0.32 H new ATOM 0 HA ILE A 409 -3.996 2.617 -7.138 1.00 1.52 H new ATOM 0 HB ILE A 409 -2.381 1.054 -5.140 1.00 11.24 H new ATOM 0 HG12 ILE A 409 -0.348 1.708 -6.496 1.00 12.43 H new ATOM 0 HG13 ILE A 409 -1.385 2.608 -7.586 1.00 12.43 H new ATOM 0 HG21 ILE A 409 -1.347 -0.280 -7.099 1.00 21.40 H new ATOM 0 HG22 ILE A 409 -3.080 -0.617 -6.878 1.00 21.40 H new ATOM 0 HG23 ILE A 409 -2.545 0.474 -8.178 1.00 21.40 H new ATOM 0 HD11 ILE A 409 -0.113 4.103 -6.152 1.00 72.34 H new ATOM 0 HD12 ILE A 409 -1.852 4.252 -5.805 1.00 72.34 H new ATOM 0 HD13 ILE A 409 -0.799 3.338 -4.699 1.00 72.34 H new ATOM 235 N TYR A 410 -5.927 0.696 -7.187 1.00 30.44 N ATOM 236 CA TYR A 410 -6.814 -0.509 -7.271 1.00 40.11 C ATOM 237 C TYR A 410 -6.177 -1.565 -8.222 1.00 51.10 C ATOM 238 O TYR A 410 -5.558 -1.184 -9.214 1.00 12.33 O ATOM 239 CB TYR A 410 -8.232 -0.083 -7.787 1.00 61.53 C ATOM 240 CG TYR A 410 -9.308 0.379 -6.804 1.00 74.22 C ATOM 241 CD1 TYR A 410 -9.094 0.992 -5.544 1.00 40.25 C ATOM 242 CD2 TYR A 410 -10.622 0.160 -7.194 1.00 32.41 C ATOM 243 CE1 TYR A 410 -10.169 1.327 -4.734 1.00 54.14 C ATOM 244 CE2 TYR A 410 -11.680 0.504 -6.400 1.00 63.52 C ATOM 245 CZ TYR A 410 -11.459 1.083 -5.170 1.00 22.00 C ATOM 246 OH TYR A 410 -12.525 1.420 -4.373 1.00 24.12 O ATOM 0 H TYR A 410 -6.027 1.338 -7.973 1.00 30.44 H new ATOM 0 HA TYR A 410 -6.922 -0.954 -6.282 1.00 40.11 H new ATOM 0 HB2 TYR A 410 -8.084 0.724 -8.505 1.00 61.53 H new ATOM 0 HB3 TYR A 410 -8.642 -0.929 -8.338 1.00 61.53 H new ATOM 0 HD1 TYR A 410 -8.087 1.200 -5.212 1.00 40.25 H new ATOM 0 HD2 TYR A 410 -10.814 -0.296 -8.154 1.00 32.41 H new ATOM 0 HE1 TYR A 410 -10.000 1.777 -3.767 1.00 54.14 H new ATOM 0 HE2 TYR A 410 -12.690 0.322 -6.737 1.00 63.52 H new ATOM 0 HH TYR A 410 -13.361 1.183 -4.827 1.00 24.12 H new ATOM 256 N HIS A 411 -6.306 -2.904 -7.873 1.00 64.14 N ATOM 257 CA HIS A 411 -5.701 -4.038 -8.636 1.00 74.31 C ATOM 258 C HIS A 411 -4.146 -4.050 -8.643 1.00 71.31 C ATOM 259 O HIS A 411 -3.517 -3.967 -9.697 1.00 61.22 O ATOM 260 CB HIS A 411 -6.198 -4.130 -10.077 1.00 64.51 C ATOM 261 CG HIS A 411 -7.630 -4.525 -10.271 1.00 31.33 C ATOM 262 ND1 HIS A 411 -8.365 -5.271 -9.365 1.00 31.31 N ATOM 263 CD2 HIS A 411 -8.465 -4.252 -11.294 1.00 1.20 C ATOM 264 CE1 HIS A 411 -9.593 -5.435 -9.838 1.00 71.34 C ATOM 265 NE2 HIS A 411 -9.675 -4.824 -11.003 1.00 24.13 N ATOM 0 H HIS A 411 -6.834 -3.209 -7.055 1.00 64.14 H new ATOM 0 HA HIS A 411 -6.042 -4.912 -8.082 1.00 74.31 H new ATOM 0 HB2 HIS A 411 -6.045 -3.161 -10.552 1.00 64.51 H new ATOM 0 HB3 HIS A 411 -5.572 -4.848 -10.608 1.00 64.51 H new ATOM 0 HD2 HIS A 411 -8.224 -3.685 -12.181 1.00 1.20 H new ATOM 0 HE1 HIS A 411 -10.390 -5.977 -9.351 1.00 71.34 H new ATOM 0 HE2 HIS A 411 -10.506 -4.784 -11.593 1.00 24.13 H new ATOM 274 N LEU A 412 -3.562 -4.130 -7.457 1.00 45.22 N ATOM 275 CA LEU A 412 -2.116 -4.279 -7.240 1.00 23.24 C ATOM 276 C LEU A 412 -1.601 -5.618 -7.832 1.00 34.51 C ATOM 277 O LEU A 412 -2.132 -6.680 -7.474 1.00 5.20 O ATOM 278 CB LEU A 412 -1.764 -4.102 -5.710 1.00 34.31 C ATOM 279 CG LEU A 412 -0.426 -4.688 -5.183 1.00 12.35 C ATOM 280 CD1 LEU A 412 0.247 -3.726 -4.210 1.00 0.41 C ATOM 281 CD2 LEU A 412 -0.601 -6.036 -4.466 1.00 34.22 C ATOM 0 H LEU A 412 -4.091 -4.093 -6.586 1.00 45.22 H new ATOM 0 HA LEU A 412 -1.593 -3.487 -7.776 1.00 23.24 H new ATOM 0 HB2 LEU A 412 -1.767 -3.034 -5.491 1.00 34.31 H new ATOM 0 HB3 LEU A 412 -2.572 -4.548 -5.131 1.00 34.31 H new ATOM 0 HG LEU A 412 0.192 -4.840 -6.068 1.00 12.35 H new ATOM 0 HD11 LEU A 412 1.182 -4.161 -3.856 1.00 0.41 H new ATOM 0 HD12 LEU A 412 0.454 -2.783 -4.716 1.00 0.41 H new ATOM 0 HD13 LEU A 412 -0.413 -3.546 -3.362 1.00 0.41 H new ATOM 0 HD21 LEU A 412 0.369 -6.393 -4.121 1.00 34.22 H new ATOM 0 HD22 LEU A 412 -1.266 -5.910 -3.612 1.00 34.22 H new ATOM 0 HD23 LEU A 412 -1.031 -6.762 -5.156 1.00 34.22 H new ATOM 293 N PRO A 413 -0.627 -5.606 -8.815 1.00 63.44 N ATOM 294 CA PRO A 413 0.008 -6.843 -9.311 1.00 1.02 C ATOM 295 C PRO A 413 0.905 -7.657 -8.329 1.00 63.53 C ATOM 296 O PRO A 413 1.115 -7.284 -7.178 1.00 2.52 O ATOM 297 CB PRO A 413 0.695 -6.487 -10.599 1.00 32.04 C ATOM 298 CG PRO A 413 0.472 -5.053 -10.859 1.00 2.20 C ATOM 299 CD PRO A 413 -0.104 -4.423 -9.614 1.00 64.31 C ATOM 0 HA PRO A 413 -0.788 -7.574 -9.454 1.00 1.02 H new ATOM 0 HB2 PRO A 413 1.762 -6.700 -10.532 1.00 32.04 H new ATOM 0 HB3 PRO A 413 0.301 -7.088 -11.419 1.00 32.04 H new ATOM 0 HG2 PRO A 413 1.409 -4.567 -11.130 1.00 2.20 H new ATOM 0 HG3 PRO A 413 -0.210 -4.922 -11.700 1.00 2.20 H new ATOM 0 HD2 PRO A 413 0.653 -3.869 -9.059 1.00 64.31 H new ATOM 0 HD3 PRO A 413 -0.901 -3.719 -9.854 1.00 64.31 H new ATOM 307 N GLN A 414 1.460 -8.756 -8.890 1.00 41.43 N ATOM 308 CA GLN A 414 1.720 -10.090 -8.278 1.00 32.21 C ATOM 309 C GLN A 414 2.053 -10.247 -6.732 1.00 64.50 C ATOM 310 O GLN A 414 1.245 -10.835 -6.021 1.00 60.04 O ATOM 311 CB GLN A 414 2.970 -10.595 -9.082 1.00 13.12 C ATOM 312 CG GLN A 414 3.990 -9.487 -9.545 1.00 34.13 C ATOM 313 CD GLN A 414 5.153 -9.277 -8.578 1.00 22.32 C ATOM 314 OE1 GLN A 414 5.610 -10.205 -7.917 1.00 20.25 O ATOM 315 NE2 GLN A 414 5.606 -8.041 -8.457 1.00 11.12 N ATOM 0 H GLN A 414 1.765 -8.736 -9.863 1.00 41.43 H new ATOM 0 HA GLN A 414 0.775 -10.630 -8.335 1.00 32.21 H new ATOM 0 HB2 GLN A 414 3.505 -11.318 -8.466 1.00 13.12 H new ATOM 0 HB3 GLN A 414 2.618 -11.128 -9.965 1.00 13.12 H new ATOM 0 HG2 GLN A 414 4.387 -9.758 -10.523 1.00 34.13 H new ATOM 0 HG3 GLN A 414 3.457 -8.544 -9.668 1.00 34.13 H new ATOM 0 HE21 GLN A 414 5.204 -7.293 -9.022 1.00 11.12 H new ATOM 0 HE22 GLN A 414 6.358 -7.835 -7.799 1.00 11.12 H new ATOM 324 N GLU A 415 3.163 -9.739 -6.198 1.00 33.25 N ATOM 325 CA GLU A 415 3.422 -9.790 -4.738 1.00 13.41 C ATOM 326 C GLU A 415 3.408 -8.403 -4.059 1.00 32.13 C ATOM 327 O GLU A 415 3.398 -8.354 -2.830 1.00 11.13 O ATOM 328 CB GLU A 415 4.754 -10.632 -4.441 1.00 54.12 C ATOM 329 CG GLU A 415 5.461 -10.425 -3.075 1.00 20.41 C ATOM 330 CD GLU A 415 6.715 -11.267 -2.914 1.00 61.42 C ATOM 331 OE1 GLU A 415 7.679 -11.073 -3.687 1.00 11.24 O ATOM 332 OE2 GLU A 415 6.743 -12.111 -1.994 1.00 4.52 O ATOM 0 H GLU A 415 3.900 -9.288 -6.740 1.00 33.25 H new ATOM 0 HA GLU A 415 2.587 -10.316 -4.275 1.00 13.41 H new ATOM 0 HB2 GLU A 415 4.507 -11.690 -4.531 1.00 54.12 H new ATOM 0 HB3 GLU A 415 5.474 -10.405 -5.227 1.00 54.12 H new ATOM 0 HG2 GLU A 415 5.722 -9.372 -2.965 1.00 20.41 H new ATOM 0 HG3 GLU A 415 4.764 -10.667 -2.273 1.00 20.41 H new ATOM 339 N PHE A 416 3.176 -7.300 -4.815 1.00 10.22 N ATOM 340 CA PHE A 416 3.935 -6.037 -4.574 1.00 54.41 C ATOM 341 C PHE A 416 3.879 -5.587 -3.069 1.00 2.15 C ATOM 342 O PHE A 416 2.856 -5.072 -2.621 1.00 0.33 O ATOM 343 CB PHE A 416 3.375 -4.859 -5.451 1.00 24.24 C ATOM 344 CG PHE A 416 4.101 -4.416 -6.694 1.00 3.34 C ATOM 345 CD1 PHE A 416 5.073 -5.145 -7.396 1.00 54.31 C ATOM 346 CD2 PHE A 416 3.776 -3.151 -7.143 1.00 42.24 C ATOM 347 CE1 PHE A 416 5.676 -4.601 -8.513 1.00 13.31 C ATOM 348 CE2 PHE A 416 4.374 -2.602 -8.245 1.00 23.14 C ATOM 349 CZ PHE A 416 5.323 -3.327 -8.942 1.00 51.53 C ATOM 0 H PHE A 416 2.495 -7.253 -5.573 1.00 10.22 H new ATOM 0 HA PHE A 416 4.968 -6.255 -4.847 1.00 54.41 H new ATOM 0 HB2 PHE A 416 2.364 -5.134 -5.751 1.00 24.24 H new ATOM 0 HB3 PHE A 416 3.289 -3.988 -4.802 1.00 24.24 H new ATOM 0 HD1 PHE A 416 5.350 -6.134 -7.062 1.00 54.31 H new ATOM 0 HD2 PHE A 416 3.030 -2.580 -6.610 1.00 42.24 H new ATOM 0 HE1 PHE A 416 6.422 -5.165 -9.053 1.00 13.31 H new ATOM 0 HE2 PHE A 416 4.106 -1.607 -8.569 1.00 23.14 H new ATOM 0 HZ PHE A 416 5.790 -2.904 -9.819 1.00 51.53 H new ATOM 359 N GLY A 417 4.969 -5.842 -2.268 1.00 74.14 N ATOM 360 CA GLY A 417 4.958 -5.491 -0.836 1.00 0.20 C ATOM 361 C GLY A 417 5.703 -4.178 -0.500 1.00 43.04 C ATOM 362 O GLY A 417 6.077 -3.451 -1.427 1.00 4.32 O ATOM 0 H GLY A 417 5.832 -6.276 -2.594 1.00 74.14 H new ATOM 0 HA2 GLY A 417 3.924 -5.405 -0.502 1.00 0.20 H new ATOM 0 HA3 GLY A 417 5.408 -6.306 -0.270 1.00 0.20 H new ATOM 366 N ASP A 418 5.898 -3.892 0.833 1.00 33.02 N ATOM 367 CA ASP A 418 6.445 -2.578 1.347 1.00 33.11 C ATOM 368 C ASP A 418 7.715 -2.102 0.603 1.00 40.12 C ATOM 369 O ASP A 418 7.818 -0.920 0.251 1.00 11.34 O ATOM 370 CB ASP A 418 6.706 -2.558 2.915 1.00 42.42 C ATOM 371 CG ASP A 418 7.280 -1.245 3.415 1.00 43.34 C ATOM 372 OD1 ASP A 418 6.503 -0.288 3.599 1.00 41.33 O ATOM 373 OD2 ASP A 418 8.512 -1.183 3.642 1.00 5.30 O ATOM 0 H ASP A 418 5.684 -4.557 1.576 1.00 33.02 H new ATOM 0 HA ASP A 418 5.642 -1.872 1.134 1.00 33.11 H new ATOM 0 HB2 ASP A 418 5.769 -2.757 3.434 1.00 42.42 H new ATOM 0 HB3 ASP A 418 7.391 -3.366 3.172 1.00 42.42 H new ATOM 378 N GLN A 419 8.656 -3.021 0.358 1.00 31.54 N ATOM 379 CA GLN A 419 9.951 -2.679 -0.236 1.00 3.20 C ATOM 380 C GLN A 419 9.849 -2.153 -1.683 1.00 23.32 C ATOM 381 O GLN A 419 10.537 -1.171 -2.004 1.00 53.35 O ATOM 382 CB GLN A 419 10.978 -3.847 -0.141 1.00 22.53 C ATOM 383 CG GLN A 419 10.727 -5.045 -1.109 1.00 43.21 C ATOM 384 CD GLN A 419 11.904 -5.345 -2.046 1.00 73.31 C ATOM 385 OE1 GLN A 419 12.100 -6.493 -2.439 1.00 25.05 O ATOM 386 NE2 GLN A 419 12.688 -4.335 -2.423 1.00 54.12 N ATOM 0 H GLN A 419 8.542 -4.013 0.564 1.00 31.54 H new ATOM 0 HA GLN A 419 10.325 -1.854 0.370 1.00 3.20 H new ATOM 0 HB2 GLN A 419 11.974 -3.448 -0.335 1.00 22.53 H new ATOM 0 HB3 GLN A 419 10.979 -4.224 0.882 1.00 22.53 H new ATOM 0 HG2 GLN A 419 10.508 -5.936 -0.520 1.00 43.21 H new ATOM 0 HG3 GLN A 419 9.842 -4.835 -1.709 1.00 43.21 H new ATOM 0 HE21 GLN A 419 12.503 -3.391 -2.082 1.00 54.12 H new ATOM 0 HE22 GLN A 419 13.472 -4.506 -3.052 1.00 54.12 H new ATOM 395 N ASP A 420 9.011 -2.777 -2.546 1.00 74.03 N ATOM 396 CA ASP A 420 8.922 -2.354 -3.961 1.00 14.44 C ATOM 397 C ASP A 420 8.404 -0.927 -4.107 1.00 64.43 C ATOM 398 O ASP A 420 9.016 -0.135 -4.836 1.00 0.35 O ATOM 399 CB ASP A 420 8.108 -3.319 -4.865 1.00 4.43 C ATOM 400 CG ASP A 420 7.077 -2.635 -5.725 1.00 11.44 C ATOM 401 OD1 ASP A 420 5.958 -2.427 -5.222 1.00 25.23 O ATOM 402 OD2 ASP A 420 7.403 -2.283 -6.874 1.00 24.25 O ATOM 0 H ASP A 420 8.402 -3.556 -2.294 1.00 74.03 H new ATOM 0 HA ASP A 420 9.951 -2.390 -4.318 1.00 14.44 H new ATOM 0 HB2 ASP A 420 8.798 -3.865 -5.509 1.00 4.43 H new ATOM 0 HB3 ASP A 420 7.609 -4.055 -4.235 1.00 4.43 H new ATOM 407 N ILE A 421 7.293 -0.601 -3.393 1.00 51.24 N ATOM 408 CA ILE A 421 6.544 0.637 -3.615 1.00 63.50 C ATOM 409 C ILE A 421 7.397 1.886 -3.299 1.00 52.03 C ATOM 410 O ILE A 421 7.091 2.997 -3.763 1.00 20.24 O ATOM 411 CB ILE A 421 5.138 0.633 -2.793 1.00 25.32 C ATOM 412 CG1 ILE A 421 3.886 0.763 -3.740 1.00 32.14 C ATOM 413 CG2 ILE A 421 5.036 1.638 -1.626 1.00 75.41 C ATOM 414 CD1 ILE A 421 2.671 1.563 -3.247 1.00 64.31 C ATOM 0 H ILE A 421 6.905 -1.192 -2.657 1.00 51.24 H new ATOM 0 HA ILE A 421 6.297 0.686 -4.676 1.00 63.50 H new ATOM 0 HB ILE A 421 5.135 -0.351 -2.325 1.00 25.32 H new ATOM 0 HG12 ILE A 421 4.223 1.214 -4.674 1.00 32.14 H new ATOM 0 HG13 ILE A 421 3.545 -0.245 -3.978 1.00 32.14 H new ATOM 0 HG21 ILE A 421 4.059 1.547 -1.152 1.00 75.41 H new ATOM 0 HG22 ILE A 421 5.816 1.426 -0.894 1.00 75.41 H new ATOM 0 HG23 ILE A 421 5.162 2.652 -2.007 1.00 75.41 H new ATOM 0 HD11 ILE A 421 1.896 1.557 -4.014 1.00 64.31 H new ATOM 0 HD12 ILE A 421 2.283 1.110 -2.335 1.00 64.31 H new ATOM 0 HD13 ILE A 421 2.971 2.591 -3.042 1.00 64.31 H new ATOM 426 N LEU A 422 8.504 1.686 -2.567 1.00 30.41 N ATOM 427 CA LEU A 422 9.264 2.770 -2.070 1.00 41.42 C ATOM 428 C LEU A 422 10.323 3.170 -3.132 1.00 43.35 C ATOM 429 O LEU A 422 10.647 4.343 -3.290 1.00 54.40 O ATOM 430 CB LEU A 422 9.882 2.418 -0.653 1.00 53.14 C ATOM 431 CG LEU A 422 10.875 3.451 -0.007 1.00 33.33 C ATOM 432 CD1 LEU A 422 10.249 4.841 0.291 1.00 44.30 C ATOM 433 CD2 LEU A 422 11.494 2.950 1.306 1.00 64.13 C ATOM 0 H LEU A 422 8.869 0.765 -2.322 1.00 30.41 H new ATOM 0 HA LEU A 422 8.628 3.639 -1.901 1.00 41.42 H new ATOM 0 HB2 LEU A 422 9.057 2.267 0.043 1.00 53.14 H new ATOM 0 HB3 LEU A 422 10.403 1.465 -0.743 1.00 53.14 H new ATOM 0 HG LEU A 422 11.639 3.558 -0.777 1.00 33.33 H new ATOM 0 HD11 LEU A 422 11.002 5.492 0.735 1.00 44.30 H new ATOM 0 HD12 LEU A 422 9.888 5.284 -0.637 1.00 44.30 H new ATOM 0 HD13 LEU A 422 9.416 4.724 0.985 1.00 44.30 H new ATOM 0 HD21 LEU A 422 12.170 3.708 1.702 1.00 64.13 H new ATOM 0 HD22 LEU A 422 10.703 2.755 2.030 1.00 64.13 H new ATOM 0 HD23 LEU A 422 12.049 2.031 1.119 1.00 64.13 H new ATOM 445 N GLN A 423 10.830 2.153 -3.855 1.00 44.11 N ATOM 446 CA GLN A 423 11.818 2.341 -4.977 1.00 55.54 C ATOM 447 C GLN A 423 11.149 2.584 -6.334 1.00 4.31 C ATOM 448 O GLN A 423 11.462 3.569 -6.996 1.00 53.42 O ATOM 449 CB GLN A 423 12.738 1.110 -5.220 1.00 62.43 C ATOM 450 CG GLN A 423 13.686 0.682 -4.098 1.00 5.43 C ATOM 451 CD GLN A 423 13.705 -0.846 -3.870 1.00 75.11 C ATOM 452 OE1 GLN A 423 14.734 -1.370 -3.450 1.00 33.41 O ATOM 453 NE2 GLN A 423 12.606 -1.602 -4.141 1.00 32.33 N ATOM 0 H GLN A 423 10.579 1.178 -3.693 1.00 44.11 H new ATOM 0 HA GLN A 423 12.390 3.205 -4.638 1.00 55.54 H new ATOM 0 HB2 GLN A 423 12.100 0.259 -5.459 1.00 62.43 H new ATOM 0 HB3 GLN A 423 13.341 1.315 -6.105 1.00 62.43 H new ATOM 0 HG2 GLN A 423 14.695 1.021 -4.334 1.00 5.43 H new ATOM 0 HG3 GLN A 423 13.392 1.178 -3.173 1.00 5.43 H new ATOM 0 HE21 GLN A 423 11.756 -1.159 -4.489 1.00 32.33 H new ATOM 0 HE22 GLN A 423 12.633 -2.611 -3.996 1.00 32.33 H new ATOM 462 N MET A 424 10.297 1.628 -6.775 1.00 15.02 N ATOM 463 CA MET A 424 9.696 1.667 -8.145 1.00 22.53 C ATOM 464 C MET A 424 8.769 2.923 -8.354 1.00 40.13 C ATOM 465 O MET A 424 8.611 3.370 -9.494 1.00 70.24 O ATOM 466 CB MET A 424 8.977 0.294 -8.567 1.00 53.11 C ATOM 467 CG MET A 424 8.405 0.209 -10.022 1.00 44.53 C ATOM 468 SD MET A 424 9.695 0.109 -11.272 1.00 13.44 S ATOM 469 CE MET A 424 10.019 -1.652 -11.239 1.00 53.15 C ATOM 0 H MET A 424 10.008 0.826 -6.215 1.00 15.02 H new ATOM 0 HA MET A 424 10.535 1.777 -8.832 1.00 22.53 H new ATOM 0 HB2 MET A 424 9.693 -0.517 -8.437 1.00 53.11 H new ATOM 0 HB3 MET A 424 8.159 0.112 -7.870 1.00 53.11 H new ATOM 0 HG2 MET A 424 7.758 -0.665 -10.103 1.00 44.53 H new ATOM 0 HG3 MET A 424 7.785 1.084 -10.216 1.00 44.53 H new ATOM 0 HE1 MET A 424 10.800 -1.892 -11.960 1.00 53.15 H new ATOM 0 HE2 MET A 424 10.345 -1.943 -10.241 1.00 53.15 H new ATOM 0 HE3 MET A 424 9.109 -2.194 -11.496 1.00 53.15 H new ATOM 479 N PHE A 425 8.201 3.555 -7.272 1.00 4.14 N ATOM 480 CA PHE A 425 7.386 4.775 -7.448 1.00 23.25 C ATOM 481 C PHE A 425 8.206 6.073 -7.132 1.00 75.12 C ATOM 482 O PHE A 425 7.671 7.174 -7.194 1.00 24.25 O ATOM 483 CB PHE A 425 6.097 4.608 -6.619 1.00 53.50 C ATOM 484 CG PHE A 425 4.800 4.514 -7.426 1.00 22.52 C ATOM 485 CD1 PHE A 425 4.391 3.284 -7.955 1.00 4.43 C ATOM 486 CD2 PHE A 425 3.962 5.628 -7.626 1.00 35.21 C ATOM 487 CE1 PHE A 425 3.206 3.162 -8.658 1.00 3.30 C ATOM 488 CE2 PHE A 425 2.774 5.497 -8.317 1.00 21.10 C ATOM 489 CZ PHE A 425 2.395 4.269 -8.832 1.00 32.41 C ATOM 0 H PHE A 425 8.297 3.241 -6.306 1.00 4.14 H new ATOM 0 HA PHE A 425 7.096 4.904 -8.491 1.00 23.25 H new ATOM 0 HB2 PHE A 425 6.191 3.709 -6.011 1.00 53.50 H new ATOM 0 HB3 PHE A 425 6.016 5.450 -5.932 1.00 53.50 H new ATOM 0 HD1 PHE A 425 5.013 2.413 -7.811 1.00 4.43 H new ATOM 0 HD2 PHE A 425 4.251 6.593 -7.236 1.00 35.21 H new ATOM 0 HE1 PHE A 425 2.915 2.207 -9.069 1.00 3.30 H new ATOM 0 HE2 PHE A 425 2.137 6.358 -8.457 1.00 21.10 H new ATOM 0 HZ PHE A 425 1.464 4.175 -9.371 1.00 32.41 H new ATOM 499 N MET A 426 9.517 5.921 -6.798 1.00 43.24 N ATOM 500 CA MET A 426 10.370 7.004 -6.271 1.00 40.12 C ATOM 501 C MET A 426 10.762 8.153 -7.285 1.00 71.21 C ATOM 502 O MET A 426 10.538 9.301 -6.939 1.00 32.51 O ATOM 503 CB MET A 426 11.698 6.451 -5.729 1.00 24.21 C ATOM 504 CG MET A 426 12.135 7.150 -4.456 1.00 73.14 C ATOM 505 SD MET A 426 13.911 7.357 -4.309 1.00 21.44 S ATOM 506 CE MET A 426 14.041 9.050 -4.884 1.00 34.45 C ATOM 0 H MET A 426 10.008 5.032 -6.891 1.00 43.24 H new ATOM 0 HA MET A 426 9.734 7.442 -5.502 1.00 40.12 H new ATOM 0 HB2 MET A 426 11.593 5.383 -5.537 1.00 24.21 H new ATOM 0 HB3 MET A 426 12.473 6.564 -6.487 1.00 24.21 H new ATOM 0 HG2 MET A 426 11.660 8.130 -4.411 1.00 73.14 H new ATOM 0 HG3 MET A 426 11.774 6.581 -3.599 1.00 73.14 H new ATOM 0 HE1 MET A 426 15.085 9.362 -4.864 1.00 34.45 H new ATOM 0 HE2 MET A 426 13.661 9.118 -5.903 1.00 34.45 H new ATOM 0 HE3 MET A 426 13.455 9.701 -4.235 1.00 34.45 H new ATOM 516 N PRO A 427 11.389 7.863 -8.532 1.00 22.44 N ATOM 517 CA PRO A 427 12.240 8.822 -9.369 1.00 42.12 C ATOM 518 C PRO A 427 11.657 10.215 -9.827 1.00 21.23 C ATOM 519 O PRO A 427 12.359 10.949 -10.526 1.00 62.14 O ATOM 520 CB PRO A 427 12.586 7.930 -10.613 1.00 73.41 C ATOM 521 CG PRO A 427 11.451 7.002 -10.675 1.00 14.34 C ATOM 522 CD PRO A 427 11.348 6.568 -9.261 1.00 61.24 C ATOM 0 HA PRO A 427 13.058 9.184 -8.746 1.00 42.12 H new ATOM 0 HB2 PRO A 427 12.674 8.523 -11.524 1.00 73.41 H new ATOM 0 HB3 PRO A 427 13.532 7.404 -10.483 1.00 73.41 H new ATOM 0 HG2 PRO A 427 10.540 7.490 -11.022 1.00 14.34 H new ATOM 0 HG3 PRO A 427 11.641 6.166 -11.348 1.00 14.34 H new ATOM 0 HD2 PRO A 427 10.425 6.022 -9.069 1.00 61.24 H new ATOM 0 HD3 PRO A 427 12.171 5.913 -8.975 1.00 61.24 H new ATOM 530 N PHE A 428 10.419 10.577 -9.468 1.00 22.53 N ATOM 531 CA PHE A 428 9.920 11.975 -9.643 1.00 14.01 C ATOM 532 C PHE A 428 9.764 12.758 -8.285 1.00 53.30 C ATOM 533 O PHE A 428 9.076 13.781 -8.252 1.00 34.02 O ATOM 534 CB PHE A 428 8.603 12.083 -10.514 1.00 65.43 C ATOM 535 CG PHE A 428 8.357 11.031 -11.614 1.00 42.44 C ATOM 536 CD1 PHE A 428 8.925 11.181 -12.884 1.00 14.44 C ATOM 537 CD2 PHE A 428 7.520 9.924 -11.401 1.00 42.22 C ATOM 538 CE1 PHE A 428 8.666 10.266 -13.897 1.00 41.13 C ATOM 539 CE2 PHE A 428 7.262 9.010 -12.423 1.00 22.32 C ATOM 540 CZ PHE A 428 7.842 9.182 -13.663 1.00 15.30 C ATOM 0 H PHE A 428 9.739 9.938 -9.057 1.00 22.53 H new ATOM 0 HA PHE A 428 10.711 12.465 -10.211 1.00 14.01 H new ATOM 0 HB2 PHE A 428 7.753 12.055 -9.833 1.00 65.43 H new ATOM 0 HB3 PHE A 428 8.599 13.065 -10.988 1.00 65.43 H new ATOM 0 HD1 PHE A 428 9.575 12.021 -13.080 1.00 14.44 H new ATOM 0 HD2 PHE A 428 7.069 9.778 -10.431 1.00 42.22 H new ATOM 0 HE1 PHE A 428 9.111 10.403 -14.872 1.00 41.13 H new ATOM 0 HE2 PHE A 428 6.609 8.169 -12.244 1.00 22.32 H new ATOM 0 HZ PHE A 428 7.652 8.469 -14.451 1.00 15.30 H new ATOM 550 N GLY A 429 10.424 12.307 -7.178 1.00 70.22 N ATOM 551 CA GLY A 429 10.567 13.139 -5.970 1.00 45.33 C ATOM 552 C GLY A 429 10.104 12.462 -4.647 1.00 30.13 C ATOM 553 O GLY A 429 9.827 11.259 -4.643 1.00 55.52 O ATOM 0 H GLY A 429 10.855 11.385 -7.108 1.00 70.22 H new ATOM 0 HA2 GLY A 429 11.613 13.426 -5.867 1.00 45.33 H new ATOM 0 HA3 GLY A 429 9.997 14.057 -6.110 1.00 45.33 H new ATOM 557 N ASN A 430 10.026 13.237 -3.517 1.00 53.12 N ATOM 558 CA ASN A 430 10.001 12.650 -2.141 1.00 12.05 C ATOM 559 C ASN A 430 8.582 12.207 -1.654 1.00 23.20 C ATOM 560 O ASN A 430 7.576 12.866 -1.938 1.00 51.41 O ATOM 561 CB ASN A 430 10.703 13.578 -1.072 1.00 31.14 C ATOM 562 CG ASN A 430 10.194 15.019 -0.946 1.00 72.44 C ATOM 563 OD1 ASN A 430 9.806 15.658 -1.927 1.00 13.45 O ATOM 564 ND2 ASN A 430 10.202 15.553 0.288 1.00 65.14 N ATOM 0 H ASN A 430 9.980 14.256 -3.535 1.00 53.12 H new ATOM 0 HA ASN A 430 10.587 11.735 -2.231 1.00 12.05 H new ATOM 0 HB2 ASN A 430 10.607 13.101 -0.097 1.00 31.14 H new ATOM 0 HB3 ASN A 430 11.767 13.616 -1.306 1.00 31.14 H new ATOM 0 HD21 ASN A 430 9.882 16.511 0.431 1.00 65.14 H new ATOM 0 HD22 ASN A 430 10.529 15.000 1.081 1.00 65.14 H new ATOM 571 N VAL A 431 8.532 11.031 -0.962 1.00 11.45 N ATOM 572 CA VAL A 431 7.274 10.364 -0.524 1.00 51.01 C ATOM 573 C VAL A 431 7.120 10.339 1.048 1.00 11.11 C ATOM 574 O VAL A 431 8.121 10.103 1.740 1.00 43.44 O ATOM 575 CB VAL A 431 7.171 8.920 -1.183 1.00 21.45 C ATOM 576 CG1 VAL A 431 8.515 8.242 -1.319 1.00 43.31 C ATOM 577 CG2 VAL A 431 6.262 7.936 -0.449 1.00 43.11 C ATOM 0 H VAL A 431 9.371 10.518 -0.692 1.00 11.45 H new ATOM 0 HA VAL A 431 6.429 10.954 -0.879 1.00 51.01 H new ATOM 0 HB VAL A 431 6.737 9.144 -2.157 1.00 21.45 H new ATOM 0 HG11 VAL A 431 8.383 7.261 -1.775 1.00 43.31 H new ATOM 0 HG12 VAL A 431 9.167 8.849 -1.947 1.00 43.31 H new ATOM 0 HG13 VAL A 431 8.966 8.127 -0.333 1.00 43.31 H new ATOM 0 HG21 VAL A 431 6.258 6.982 -0.976 1.00 43.11 H new ATOM 0 HG22 VAL A 431 6.630 7.789 0.566 1.00 43.11 H new ATOM 0 HG23 VAL A 431 5.248 8.334 -0.413 1.00 43.11 H new ATOM 587 N ILE A 432 5.893 10.559 1.637 1.00 53.34 N ATOM 588 CA ILE A 432 5.778 10.624 3.130 1.00 5.11 C ATOM 589 C ILE A 432 5.132 9.342 3.801 1.00 24.03 C ATOM 590 O ILE A 432 5.347 9.123 4.993 1.00 70.24 O ATOM 591 CB ILE A 432 5.015 11.916 3.660 1.00 72.25 C ATOM 592 CG1 ILE A 432 5.062 13.074 2.634 1.00 75.14 C ATOM 593 CG2 ILE A 432 5.641 12.428 4.961 1.00 70.10 C ATOM 594 CD1 ILE A 432 4.532 14.440 3.099 1.00 12.43 C ATOM 0 H ILE A 432 5.018 10.687 1.128 1.00 53.34 H new ATOM 0 HA ILE A 432 6.822 10.676 3.439 1.00 5.11 H new ATOM 0 HB ILE A 432 3.981 11.612 3.825 1.00 72.25 H new ATOM 0 HG12 ILE A 432 6.096 13.203 2.315 1.00 75.14 H new ATOM 0 HG13 ILE A 432 4.493 12.771 1.755 1.00 75.14 H new ATOM 0 HG21 ILE A 432 5.101 13.311 5.302 1.00 70.10 H new ATOM 0 HG22 ILE A 432 5.583 11.651 5.723 1.00 70.10 H new ATOM 0 HG23 ILE A 432 6.685 12.687 4.785 1.00 70.10 H new ATOM 0 HD11 ILE A 432 4.622 15.161 2.286 1.00 12.43 H new ATOM 0 HD12 ILE A 432 3.485 14.345 3.386 1.00 12.43 H new ATOM 0 HD13 ILE A 432 5.113 14.784 3.955 1.00 12.43 H new ATOM 606 N SER A 433 4.333 8.506 3.069 1.00 20.42 N ATOM 607 CA SER A 433 3.667 7.290 3.641 1.00 40.34 C ATOM 608 C SER A 433 3.702 6.043 2.679 1.00 35.01 C ATOM 609 O SER A 433 3.381 6.172 1.495 1.00 61.21 O ATOM 610 CB SER A 433 2.204 7.665 3.985 1.00 32.44 C ATOM 611 OG SER A 433 2.123 8.884 4.702 1.00 34.33 O ATOM 0 H SER A 433 4.134 8.652 2.079 1.00 20.42 H new ATOM 0 HA SER A 433 4.220 6.988 4.531 1.00 40.34 H new ATOM 0 HB2 SER A 433 1.625 7.746 3.065 1.00 32.44 H new ATOM 0 HB3 SER A 433 1.754 6.867 4.575 1.00 32.44 H new ATOM 0 HG SER A 433 1.274 9.329 4.496 1.00 34.33 H new ATOM 617 N ALA A 434 4.111 4.838 3.207 1.00 54.11 N ATOM 618 CA ALA A 434 3.978 3.515 2.478 1.00 75.33 C ATOM 619 C ALA A 434 3.393 2.375 3.435 1.00 43.32 C ATOM 620 O ALA A 434 4.001 2.143 4.486 1.00 73.02 O ATOM 621 CB ALA A 434 5.341 3.050 1.911 1.00 10.15 C ATOM 0 H ALA A 434 4.534 4.752 4.131 1.00 54.11 H new ATOM 0 HA ALA A 434 3.282 3.678 1.655 1.00 75.33 H new ATOM 0 HB1 ALA A 434 5.215 2.099 1.394 1.00 10.15 H new ATOM 0 HB2 ALA A 434 5.718 3.796 1.211 1.00 10.15 H new ATOM 0 HB3 ALA A 434 6.052 2.927 2.728 1.00 10.15 H new ATOM 627 N LYS A 435 2.220 1.685 3.123 1.00 72.55 N ATOM 628 CA LYS A 435 1.722 0.503 3.930 1.00 3.12 C ATOM 629 C LYS A 435 0.762 -0.435 3.064 1.00 75.54 C ATOM 630 O LYS A 435 -0.102 0.093 2.353 1.00 31.30 O ATOM 631 CB LYS A 435 1.067 0.919 5.323 1.00 3.54 C ATOM 632 CG LYS A 435 -0.298 1.628 5.373 1.00 1.22 C ATOM 633 CD LYS A 435 -1.467 0.634 5.474 1.00 64.45 C ATOM 634 CE LYS A 435 -2.855 1.300 5.326 1.00 54.20 C ATOM 635 NZ LYS A 435 -3.158 2.258 6.415 1.00 52.03 N ATOM 0 H LYS A 435 1.620 1.928 2.334 1.00 72.55 H new ATOM 0 HA LYS A 435 2.604 -0.083 4.190 1.00 3.12 H new ATOM 0 HB2 LYS A 435 0.978 0.010 5.919 1.00 3.54 H new ATOM 0 HB3 LYS A 435 1.782 1.565 5.832 1.00 3.54 H new ATOM 0 HG2 LYS A 435 -0.323 2.304 6.228 1.00 1.22 H new ATOM 0 HG3 LYS A 435 -0.420 2.240 4.479 1.00 1.22 H new ATOM 0 HD2 LYS A 435 -1.354 -0.128 4.703 1.00 64.45 H new ATOM 0 HD3 LYS A 435 -1.418 0.124 6.436 1.00 64.45 H new ATOM 0 HE2 LYS A 435 -2.902 1.820 4.369 1.00 54.20 H new ATOM 0 HE3 LYS A 435 -3.623 0.526 5.306 1.00 54.20 H new ATOM 0 HZ1 LYS A 435 -4.100 2.671 6.262 1.00 52.03 H new ATOM 0 HZ2 LYS A 435 -3.143 1.761 7.329 1.00 52.03 H new ATOM 0 HZ3 LYS A 435 -2.444 3.015 6.420 1.00 52.03 H new ATOM 649 N VAL A 436 0.904 -1.814 3.100 1.00 4.24 N ATOM 650 CA VAL A 436 -0.126 -2.731 2.469 1.00 73.12 C ATOM 651 C VAL A 436 -1.010 -3.382 3.606 1.00 62.04 C ATOM 652 O VAL A 436 -0.683 -4.417 4.191 1.00 64.01 O ATOM 653 CB VAL A 436 0.530 -3.850 1.477 1.00 55.22 C ATOM 654 CG1 VAL A 436 -0.414 -5.025 1.143 1.00 2.03 C ATOM 655 CG2 VAL A 436 1.020 -3.304 0.098 1.00 53.30 C ATOM 0 H VAL A 436 1.688 -2.297 3.540 1.00 4.24 H new ATOM 0 HA VAL A 436 -0.764 -2.128 1.823 1.00 73.12 H new ATOM 0 HB VAL A 436 1.379 -4.182 2.074 1.00 55.22 H new ATOM 0 HG11 VAL A 436 0.096 -5.724 0.480 1.00 2.03 H new ATOM 0 HG12 VAL A 436 -0.697 -5.537 2.063 1.00 2.03 H new ATOM 0 HG13 VAL A 436 -1.309 -4.644 0.650 1.00 2.03 H new ATOM 0 HG21 VAL A 436 1.439 -4.121 -0.489 1.00 53.30 H new ATOM 0 HG22 VAL A 436 0.179 -2.866 -0.439 1.00 53.30 H new ATOM 0 HG23 VAL A 436 1.784 -2.543 0.259 1.00 53.30 H new ATOM 665 N PHE A 437 -2.053 -2.610 4.001 1.00 42.32 N ATOM 666 CA PHE A 437 -3.327 -3.048 4.633 1.00 22.25 C ATOM 667 C PHE A 437 -4.562 -2.624 3.798 1.00 60.41 C ATOM 668 O PHE A 437 -4.499 -1.654 3.038 1.00 22.31 O ATOM 669 CB PHE A 437 -3.534 -2.520 6.069 1.00 75.23 C ATOM 670 CG PHE A 437 -2.864 -3.308 7.175 1.00 43.13 C ATOM 671 CD1 PHE A 437 -3.434 -4.481 7.672 1.00 1.22 C ATOM 672 CD2 PHE A 437 -1.693 -2.847 7.755 1.00 1.32 C ATOM 673 CE1 PHE A 437 -2.840 -5.171 8.723 1.00 62.20 C ATOM 674 CE2 PHE A 437 -1.095 -3.537 8.794 1.00 43.44 C ATOM 675 CZ PHE A 437 -1.670 -4.696 9.277 1.00 62.34 C ATOM 0 H PHE A 437 -2.027 -1.598 3.879 1.00 42.32 H new ATOM 0 HA PHE A 437 -3.238 -4.134 4.673 1.00 22.25 H new ATOM 0 HB2 PHE A 437 -3.171 -1.493 6.112 1.00 75.23 H new ATOM 0 HB3 PHE A 437 -4.605 -2.488 6.271 1.00 75.23 H new ATOM 0 HD1 PHE A 437 -4.347 -4.857 7.235 1.00 1.22 H new ATOM 0 HD2 PHE A 437 -1.241 -1.936 7.391 1.00 1.32 H new ATOM 0 HE1 PHE A 437 -3.293 -6.075 9.104 1.00 62.20 H new ATOM 0 HE2 PHE A 437 -0.177 -3.169 9.228 1.00 43.44 H new ATOM 0 HZ PHE A 437 -1.202 -5.231 10.090 1.00 62.34 H new ATOM 866 N GLY A 449 -3.173 -0.532 -2.078 1.00 13.14 N ATOM 867 CA GLY A 449 -2.414 0.322 -1.076 1.00 12.43 C ATOM 868 C GLY A 449 -2.350 1.845 -1.264 1.00 24.42 C ATOM 869 O GLY A 449 -2.963 2.425 -2.168 1.00 24.33 O ATOM 0 HA2 GLY A 449 -2.848 0.134 -0.094 1.00 12.43 H new ATOM 0 HA3 GLY A 449 -1.388 -0.045 -1.047 1.00 12.43 H new ATOM 873 N PHE A 450 -1.570 2.464 -0.333 1.00 22.01 N ATOM 874 CA PHE A 450 -1.558 3.950 -0.093 1.00 41.32 C ATOM 875 C PHE A 450 -0.176 4.614 -0.484 1.00 53.22 C ATOM 876 O PHE A 450 0.836 4.241 0.122 1.00 51.43 O ATOM 877 CB PHE A 450 -1.790 4.156 1.452 1.00 20.43 C ATOM 878 CG PHE A 450 -3.184 4.029 1.982 1.00 43.31 C ATOM 879 CD1 PHE A 450 -3.747 2.796 2.105 1.00 14.34 C ATOM 880 CD2 PHE A 450 -3.896 5.133 2.416 1.00 31.44 C ATOM 881 CE1 PHE A 450 -4.979 2.629 2.639 1.00 75.05 C ATOM 882 CE2 PHE A 450 -5.155 4.984 2.963 1.00 4.23 C ATOM 883 CZ PHE A 450 -5.701 3.724 3.072 1.00 74.11 C ATOM 0 H PHE A 450 -0.930 1.954 0.275 1.00 22.01 H new ATOM 0 HA PHE A 450 -2.327 4.418 -0.708 1.00 41.32 H new ATOM 0 HB2 PHE A 450 -1.166 3.436 1.981 1.00 20.43 H new ATOM 0 HB3 PHE A 450 -1.423 5.149 1.714 1.00 20.43 H new ATOM 0 HD1 PHE A 450 -3.197 1.930 1.768 1.00 14.34 H new ATOM 0 HD2 PHE A 450 -3.464 6.119 2.326 1.00 31.44 H new ATOM 0 HE1 PHE A 450 -5.399 1.638 2.727 1.00 75.05 H new ATOM 0 HE2 PHE A 450 -5.707 5.848 3.303 1.00 4.23 H new ATOM 0 HZ PHE A 450 -6.687 3.593 3.493 1.00 74.11 H new ATOM 893 N VAL A 451 -0.081 5.592 -1.467 1.00 42.45 N ATOM 894 CA VAL A 451 1.169 6.418 -1.592 1.00 51.33 C ATOM 895 C VAL A 451 0.783 7.931 -1.481 1.00 34.21 C ATOM 896 O VAL A 451 -0.386 8.275 -1.679 1.00 70.11 O ATOM 897 CB VAL A 451 1.982 6.283 -2.950 1.00 24.43 C ATOM 898 CG1 VAL A 451 3.482 6.012 -2.766 1.00 54.15 C ATOM 899 CG2 VAL A 451 1.394 5.330 -3.962 1.00 13.32 C ATOM 0 H VAL A 451 -0.814 5.811 -2.142 1.00 42.45 H new ATOM 0 HA VAL A 451 1.812 6.041 -0.796 1.00 51.33 H new ATOM 0 HB VAL A 451 1.877 7.283 -3.371 1.00 24.43 H new ATOM 0 HG11 VAL A 451 3.960 5.934 -3.742 1.00 54.15 H new ATOM 0 HG12 VAL A 451 3.933 6.830 -2.205 1.00 54.15 H new ATOM 0 HG13 VAL A 451 3.619 5.079 -2.220 1.00 54.15 H new ATOM 0 HG21 VAL A 451 2.023 5.310 -4.852 1.00 13.32 H new ATOM 0 HG22 VAL A 451 1.342 4.330 -3.532 1.00 13.32 H new ATOM 0 HG23 VAL A 451 0.392 5.661 -4.234 1.00 13.32 H new ATOM 909 N SER A 452 1.737 8.839 -1.145 1.00 4.44 N ATOM 910 CA SER A 452 1.500 10.293 -1.179 1.00 31.43 C ATOM 911 C SER A 452 2.797 11.048 -1.699 1.00 52.41 C ATOM 912 O SER A 452 3.851 10.412 -1.796 1.00 73.53 O ATOM 913 CB SER A 452 1.107 10.746 0.226 1.00 64.10 C ATOM 914 OG SER A 452 2.237 11.055 1.039 1.00 32.42 O ATOM 0 H SER A 452 2.678 8.581 -0.848 1.00 4.44 H new ATOM 0 HA SER A 452 0.692 10.534 -1.870 1.00 31.43 H new ATOM 0 HB2 SER A 452 0.465 11.624 0.154 1.00 64.10 H new ATOM 0 HB3 SER A 452 0.522 9.962 0.706 1.00 64.10 H new ATOM 0 HG SER A 452 1.934 11.341 1.926 1.00 32.42 H new ATOM 920 N TYR A 453 2.731 12.379 -2.051 1.00 73.13 N ATOM 921 CA TYR A 453 3.946 13.190 -2.444 1.00 35.20 C ATOM 922 C TYR A 453 3.876 14.635 -1.820 1.00 52.54 C ATOM 923 O TYR A 453 2.858 14.974 -1.211 1.00 63.12 O ATOM 924 CB TYR A 453 4.016 13.324 -3.990 1.00 21.23 C ATOM 925 CG TYR A 453 4.523 12.150 -4.852 1.00 64.24 C ATOM 926 CD1 TYR A 453 5.832 11.598 -4.811 1.00 61.11 C ATOM 927 CD2 TYR A 453 3.654 11.636 -5.794 1.00 40.42 C ATOM 928 CE1 TYR A 453 6.195 10.584 -5.695 1.00 73.12 C ATOM 929 CE2 TYR A 453 4.017 10.629 -6.651 1.00 63.43 C ATOM 930 CZ TYR A 453 5.280 10.105 -6.602 1.00 61.15 C ATOM 931 OH TYR A 453 5.628 9.125 -7.497 1.00 21.24 O ATOM 0 H TYR A 453 1.860 12.909 -2.071 1.00 73.13 H new ATOM 0 HA TYR A 453 4.831 12.675 -2.070 1.00 35.20 H new ATOM 0 HB2 TYR A 453 3.013 13.570 -4.338 1.00 21.23 H new ATOM 0 HB3 TYR A 453 4.649 14.183 -4.211 1.00 21.23 H new ATOM 0 HD1 TYR A 453 6.548 11.966 -4.092 1.00 61.11 H new ATOM 0 HD2 TYR A 453 2.655 12.041 -5.858 1.00 40.42 H new ATOM 0 HE1 TYR A 453 7.194 10.175 -5.668 1.00 73.12 H new ATOM 0 HE2 TYR A 453 3.304 10.248 -7.367 1.00 63.43 H new ATOM 0 HH TYR A 453 6.354 8.583 -7.123 1.00 21.24 H new ATOM 941 N ASP A 454 4.946 15.496 -1.990 1.00 54.11 N ATOM 942 CA ASP A 454 5.014 16.819 -1.323 1.00 70.24 C ATOM 943 C ASP A 454 4.371 18.031 -2.091 1.00 50.54 C ATOM 944 O ASP A 454 4.003 19.004 -1.421 1.00 34.30 O ATOM 945 CB ASP A 454 6.464 17.161 -0.920 1.00 14.40 C ATOM 946 CG ASP A 454 6.951 16.355 0.275 1.00 70.40 C ATOM 947 OD1 ASP A 454 6.993 15.112 0.200 1.00 72.22 O ATOM 948 OD2 ASP A 454 7.321 16.985 1.290 1.00 64.43 O ATOM 0 H ASP A 454 5.752 15.285 -2.578 1.00 54.11 H new ATOM 0 HA ASP A 454 4.384 16.688 -0.443 1.00 70.24 H new ATOM 0 HB2 ASP A 454 7.124 16.979 -1.768 1.00 14.40 H new ATOM 0 HB3 ASP A 454 6.530 18.224 -0.687 1.00 14.40 H new ATOM 953 N ASN A 455 4.188 18.019 -3.456 1.00 22.52 N ATOM 954 CA ASN A 455 3.597 19.219 -4.136 1.00 30.14 C ATOM 955 C ASN A 455 2.766 18.911 -5.427 1.00 4.40 C ATOM 956 O ASN A 455 3.185 18.050 -6.182 1.00 41.51 O ATOM 957 CB ASN A 455 4.610 20.400 -4.332 1.00 51.50 C ATOM 958 CG ASN A 455 5.849 20.174 -5.205 1.00 52.21 C ATOM 959 OD1 ASN A 455 6.195 21.041 -6.007 1.00 62.23 O ATOM 960 ND2 ASN A 455 6.548 19.056 -5.043 1.00 50.11 N ATOM 0 H ASN A 455 4.426 17.241 -4.071 1.00 22.52 H new ATOM 0 HA ASN A 455 2.858 19.572 -3.416 1.00 30.14 H new ATOM 0 HB2 ASN A 455 4.059 21.241 -4.753 1.00 51.50 H new ATOM 0 HB3 ASN A 455 4.954 20.707 -3.344 1.00 51.50 H new ATOM 0 HD21 ASN A 455 7.394 18.900 -5.591 1.00 50.11 H new ATOM 0 HD22 ASN A 455 6.238 18.354 -4.371 1.00 50.11 H new ATOM 967 N PRO A 456 1.523 19.579 -5.682 1.00 73.22 N ATOM 968 CA PRO A 456 0.610 19.275 -6.843 1.00 20.12 C ATOM 969 C PRO A 456 1.192 19.223 -8.328 1.00 54.53 C ATOM 970 O PRO A 456 0.441 18.892 -9.248 1.00 4.32 O ATOM 971 CB PRO A 456 -0.523 20.340 -6.708 1.00 51.12 C ATOM 972 CG PRO A 456 -0.107 21.293 -5.665 1.00 74.32 C ATOM 973 CD PRO A 456 0.766 20.494 -4.772 1.00 51.42 C ATOM 0 HA PRO A 456 0.310 18.231 -6.752 1.00 20.12 H new ATOM 0 HB2 PRO A 456 -0.682 20.854 -7.656 1.00 51.12 H new ATOM 0 HB3 PRO A 456 -1.467 19.865 -6.440 1.00 51.12 H new ATOM 0 HG2 PRO A 456 0.428 22.141 -6.091 1.00 74.32 H new ATOM 0 HG3 PRO A 456 -0.966 21.695 -5.127 1.00 74.32 H new ATOM 0 HD2 PRO A 456 1.442 21.135 -4.206 1.00 51.42 H new ATOM 0 HD3 PRO A 456 0.178 19.931 -4.047 1.00 51.42 H new ATOM 981 N VAL A 457 2.496 19.533 -8.575 1.00 12.23 N ATOM 982 CA VAL A 457 3.138 19.295 -9.924 1.00 44.44 C ATOM 983 C VAL A 457 3.535 17.762 -10.099 1.00 72.40 C ATOM 984 O VAL A 457 3.362 17.217 -11.192 1.00 1.35 O ATOM 985 CB VAL A 457 4.392 20.262 -10.235 1.00 2.31 C ATOM 986 CG1 VAL A 457 5.051 20.001 -11.608 1.00 34.34 C ATOM 987 CG2 VAL A 457 4.037 21.763 -10.241 1.00 51.23 C ATOM 0 H VAL A 457 3.122 19.941 -7.881 1.00 12.23 H new ATOM 0 HA VAL A 457 2.381 19.554 -10.665 1.00 44.44 H new ATOM 0 HB VAL A 457 5.071 20.022 -9.417 1.00 2.31 H new ATOM 0 HG11 VAL A 457 5.886 20.688 -11.747 1.00 34.34 H new ATOM 0 HG12 VAL A 457 5.415 18.974 -11.648 1.00 34.34 H new ATOM 0 HG13 VAL A 457 4.317 20.156 -12.399 1.00 34.34 H new ATOM 0 HG21 VAL A 457 4.931 22.348 -10.457 1.00 51.23 H new ATOM 0 HG22 VAL A 457 3.284 21.956 -11.005 1.00 51.23 H new ATOM 0 HG23 VAL A 457 3.645 22.048 -9.265 1.00 51.23 H new ATOM 997 N SER A 458 4.001 17.048 -9.011 1.00 50.54 N ATOM 998 CA SER A 458 4.454 15.611 -9.104 1.00 24.20 C ATOM 999 C SER A 458 3.302 14.546 -9.282 1.00 74.22 C ATOM 1000 O SER A 458 3.586 13.414 -9.681 1.00 44.12 O ATOM 1001 CB SER A 458 5.411 15.245 -7.924 1.00 13.31 C ATOM 1002 OG SER A 458 5.119 15.976 -6.747 1.00 24.40 O ATOM 0 H SER A 458 4.071 17.441 -8.072 1.00 50.54 H new ATOM 0 HA SER A 458 5.009 15.554 -10.040 1.00 24.20 H new ATOM 0 HB2 SER A 458 5.334 14.178 -7.715 1.00 13.31 H new ATOM 0 HB3 SER A 458 6.442 15.438 -8.222 1.00 13.31 H new ATOM 0 HG SER A 458 5.741 15.714 -6.036 1.00 24.40 H new ATOM 1008 N ALA A 459 2.010 14.899 -9.007 1.00 34.25 N ATOM 1009 CA ALA A 459 0.846 14.007 -9.325 1.00 53.04 C ATOM 1010 C ALA A 459 0.543 13.946 -10.859 1.00 11.41 C ATOM 1011 O ALA A 459 0.104 12.905 -11.357 1.00 20.14 O ATOM 1012 CB ALA A 459 -0.429 14.350 -8.542 1.00 64.21 C ATOM 0 H ALA A 459 1.748 15.783 -8.571 1.00 34.25 H new ATOM 0 HA ALA A 459 1.162 13.017 -8.997 1.00 53.04 H new ATOM 0 HB1 ALA A 459 -1.226 13.663 -8.825 1.00 64.21 H new ATOM 0 HB2 ALA A 459 -0.235 14.260 -7.473 1.00 64.21 H new ATOM 0 HB3 ALA A 459 -0.733 15.372 -8.771 1.00 64.21 H new ATOM 1018 N GLN A 460 0.803 15.062 -11.601 1.00 2.23 N ATOM 1019 CA GLN A 460 0.536 15.168 -13.067 1.00 24.12 C ATOM 1020 C GLN A 460 1.440 14.244 -13.916 1.00 13.24 C ATOM 1021 O GLN A 460 0.959 13.675 -14.901 1.00 12.51 O ATOM 1022 CB GLN A 460 0.625 16.647 -13.574 1.00 32.03 C ATOM 1023 CG GLN A 460 -0.512 17.570 -13.062 1.00 23.21 C ATOM 1024 CD GLN A 460 -0.211 19.036 -13.174 1.00 75.32 C ATOM 1025 OE1 GLN A 460 0.622 19.478 -13.960 1.00 60.54 O ATOM 1026 NE2 GLN A 460 -0.994 19.806 -12.447 1.00 43.44 N ATOM 0 H GLN A 460 1.202 15.911 -11.201 1.00 2.23 H new ATOM 0 HA GLN A 460 -0.489 14.823 -13.203 1.00 24.12 H new ATOM 0 HB2 GLN A 460 1.583 17.066 -13.267 1.00 32.03 H new ATOM 0 HB3 GLN A 460 0.612 16.646 -14.664 1.00 32.03 H new ATOM 0 HG2 GLN A 460 -1.421 17.353 -13.623 1.00 23.21 H new ATOM 0 HG3 GLN A 460 -0.717 17.331 -12.018 1.00 23.21 H new ATOM 0 HE21 GLN A 460 -1.670 19.388 -11.808 1.00 43.44 H new ATOM 0 HE22 GLN A 460 -0.924 20.821 -12.523 1.00 43.44 H new ATOM 1035 N ALA A 461 2.721 14.060 -13.535 1.00 34.41 N ATOM 1036 CA ALA A 461 3.605 13.131 -14.279 1.00 21.01 C ATOM 1037 C ALA A 461 3.330 11.632 -13.960 1.00 3.51 C ATOM 1038 O ALA A 461 3.436 10.796 -14.869 1.00 33.21 O ATOM 1039 CB ALA A 461 5.103 13.497 -14.144 1.00 12.11 C ATOM 0 H ALA A 461 3.159 14.526 -12.741 1.00 34.41 H new ATOM 0 HA ALA A 461 3.347 13.263 -15.330 1.00 21.01 H new ATOM 0 HB1 ALA A 461 5.704 12.784 -14.708 1.00 12.11 H new ATOM 0 HB2 ALA A 461 5.269 14.501 -14.535 1.00 12.11 H new ATOM 0 HB3 ALA A 461 5.392 13.464 -13.094 1.00 12.11 H new ATOM 1045 N ALA A 462 2.972 11.274 -12.703 1.00 53.14 N ATOM 1046 CA ALA A 462 2.665 9.857 -12.371 1.00 53.23 C ATOM 1047 C ALA A 462 1.303 9.303 -12.899 1.00 10.22 C ATOM 1048 O ALA A 462 1.231 8.104 -13.129 1.00 41.21 O ATOM 1049 CB ALA A 462 2.841 9.534 -10.872 1.00 34.33 C ATOM 0 H ALA A 462 2.889 11.924 -11.921 1.00 53.14 H new ATOM 0 HA ALA A 462 3.426 9.320 -12.937 1.00 53.23 H new ATOM 0 HB1 ALA A 462 2.602 8.485 -10.695 1.00 34.33 H new ATOM 0 HB2 ALA A 462 3.873 9.726 -10.577 1.00 34.33 H new ATOM 0 HB3 ALA A 462 2.173 10.163 -10.283 1.00 34.33 H new ATOM 1055 N ILE A 463 0.225 10.118 -13.103 1.00 51.15 N ATOM 1056 CA ILE A 463 -1.024 9.598 -13.693 1.00 74.11 C ATOM 1057 C ILE A 463 -0.770 9.155 -15.178 1.00 74.44 C ATOM 1058 O ILE A 463 -1.241 8.092 -15.542 1.00 21.42 O ATOM 1059 CB ILE A 463 -2.261 10.606 -13.502 1.00 53.33 C ATOM 1060 CG1 ILE A 463 -2.695 10.651 -11.965 1.00 71.53 C ATOM 1061 CG2 ILE A 463 -3.495 10.244 -14.375 1.00 34.23 C ATOM 1062 CD1 ILE A 463 -3.658 11.761 -11.516 1.00 42.24 C ATOM 0 H ILE A 463 0.205 11.111 -12.871 1.00 51.15 H new ATOM 0 HA ILE A 463 -1.329 8.706 -13.147 1.00 74.11 H new ATOM 0 HB ILE A 463 -1.913 11.584 -13.833 1.00 53.33 H new ATOM 0 HG12 ILE A 463 -3.153 9.693 -11.720 1.00 71.53 H new ATOM 0 HG13 ILE A 463 -1.789 10.733 -11.365 1.00 71.53 H new ATOM 0 HG21 ILE A 463 -4.292 10.966 -14.196 1.00 34.23 H new ATOM 0 HG22 ILE A 463 -3.215 10.267 -15.428 1.00 34.23 H new ATOM 0 HG23 ILE A 463 -3.845 9.245 -14.114 1.00 34.23 H new ATOM 0 HD11 ILE A 463 -3.858 11.660 -10.449 1.00 42.24 H new ATOM 0 HD12 ILE A 463 -3.207 12.734 -11.710 1.00 42.24 H new ATOM 0 HD13 ILE A 463 -4.593 11.678 -12.070 1.00 42.24 H new ATOM 1074 N GLN A 464 0.046 9.899 -16.013 1.00 4.12 N ATOM 1075 CA GLN A 464 0.337 9.426 -17.418 1.00 2.51 C ATOM 1076 C GLN A 464 1.213 8.110 -17.513 1.00 54.13 C ATOM 1077 O GLN A 464 0.824 7.200 -18.243 1.00 44.12 O ATOM 1078 CB GLN A 464 0.949 10.573 -18.318 1.00 32.35 C ATOM 1079 CG GLN A 464 0.807 10.372 -19.851 1.00 10.34 C ATOM 1080 CD GLN A 464 -0.479 10.964 -20.437 1.00 24.14 C ATOM 1081 OE1 GLN A 464 -0.532 11.302 -21.615 1.00 3.40 O ATOM 1082 NE2 GLN A 464 -1.506 11.126 -19.622 1.00 1.10 N ATOM 0 H GLN A 464 0.490 10.780 -15.754 1.00 4.12 H new ATOM 0 HA GLN A 464 -0.642 9.154 -17.812 1.00 2.51 H new ATOM 0 HB2 GLN A 464 0.472 11.515 -18.048 1.00 32.35 H new ATOM 0 HB3 GLN A 464 2.008 10.671 -18.079 1.00 32.35 H new ATOM 0 HG2 GLN A 464 1.664 10.826 -20.348 1.00 10.34 H new ATOM 0 HG3 GLN A 464 0.838 9.305 -20.072 1.00 10.34 H new ATOM 0 HE21 GLN A 464 -1.434 10.836 -18.647 1.00 1.10 H new ATOM 0 HE22 GLN A 464 -2.371 11.541 -19.968 1.00 1.10 H new ATOM 1091 N ALA A 465 2.374 7.993 -16.810 1.00 24.15 N ATOM 1092 CA ALA A 465 3.256 6.763 -16.908 1.00 51.21 C ATOM 1093 C ALA A 465 2.755 5.519 -16.062 1.00 41.31 C ATOM 1094 O ALA A 465 3.348 4.443 -16.148 1.00 62.02 O ATOM 1095 CB ALA A 465 4.731 7.127 -16.579 1.00 51.42 C ATOM 0 H ALA A 465 2.728 8.711 -16.178 1.00 24.15 H new ATOM 0 HA ALA A 465 3.190 6.430 -17.944 1.00 51.21 H new ATOM 0 HB1 ALA A 465 5.351 6.234 -16.654 1.00 51.42 H new ATOM 0 HB2 ALA A 465 5.087 7.876 -17.286 1.00 51.42 H new ATOM 0 HB3 ALA A 465 4.790 7.526 -15.566 1.00 51.42 H new ATOM 1101 N MET A 466 1.656 5.675 -15.287 1.00 65.12 N ATOM 1102 CA MET A 466 1.087 4.624 -14.370 1.00 43.04 C ATOM 1103 C MET A 466 -0.366 4.207 -14.715 1.00 51.50 C ATOM 1104 O MET A 466 -0.806 3.174 -14.210 1.00 31.21 O ATOM 1105 CB MET A 466 1.161 5.011 -12.856 1.00 34.35 C ATOM 1106 CG MET A 466 2.515 4.790 -12.159 1.00 15.31 C ATOM 1107 SD MET A 466 3.888 5.736 -12.839 1.00 2.14 S ATOM 1108 CE MET A 466 5.237 5.116 -11.837 1.00 51.41 C ATOM 0 H MET A 466 1.122 6.544 -15.271 1.00 65.12 H new ATOM 0 HA MET A 466 1.737 3.766 -14.543 1.00 43.04 H new ATOM 0 HB2 MET A 466 0.894 6.063 -12.759 1.00 34.35 H new ATOM 0 HB3 MET A 466 0.403 4.440 -12.320 1.00 34.35 H new ATOM 0 HG2 MET A 466 2.408 5.042 -11.104 1.00 15.31 H new ATOM 0 HG3 MET A 466 2.764 3.730 -12.210 1.00 15.31 H new ATOM 0 HE1 MET A 466 6.165 5.604 -12.134 1.00 51.41 H new ATOM 0 HE2 MET A 466 5.036 5.326 -10.786 1.00 51.41 H new ATOM 0 HE3 MET A 466 5.332 4.040 -11.980 1.00 51.41 H new ATOM 1118 N ASN A 467 -1.141 4.954 -15.543 1.00 13.41 N ATOM 1119 CA ASN A 467 -2.413 4.393 -16.013 1.00 41.53 C ATOM 1120 C ASN A 467 -2.077 3.330 -17.134 1.00 50.51 C ATOM 1121 O ASN A 467 -1.294 3.653 -18.035 1.00 21.22 O ATOM 1122 CB ASN A 467 -3.460 5.477 -16.485 1.00 41.45 C ATOM 1123 CG ASN A 467 -3.014 6.586 -17.452 1.00 44.41 C ATOM 1124 OD1 ASN A 467 -3.568 7.687 -17.393 1.00 64.12 O ATOM 1125 ND2 ASN A 467 -2.079 6.350 -18.351 1.00 43.44 N ATOM 0 H ASN A 467 -0.918 5.891 -15.878 1.00 13.41 H new ATOM 0 HA ASN A 467 -2.919 3.911 -15.177 1.00 41.53 H new ATOM 0 HB2 ASN A 467 -4.290 4.948 -16.954 1.00 41.45 H new ATOM 0 HB3 ASN A 467 -3.855 5.961 -15.592 1.00 41.45 H new ATOM 0 HD21 ASN A 467 -1.806 7.082 -19.007 1.00 43.44 H new ATOM 0 HD22 ASN A 467 -1.628 5.436 -18.390 1.00 43.44 H new ATOM 1132 N GLY A 468 -2.590 2.059 -17.092 1.00 74.54 N ATOM 1133 CA GLY A 468 -2.165 1.078 -18.116 1.00 70.33 C ATOM 1134 C GLY A 468 -1.016 0.095 -17.779 1.00 44.21 C ATOM 1135 O GLY A 468 -0.467 -0.474 -18.724 1.00 33.21 O ATOM 0 H GLY A 468 -3.257 1.715 -16.401 1.00 74.54 H new ATOM 0 HA2 GLY A 468 -3.038 0.484 -18.386 1.00 70.33 H new ATOM 0 HA3 GLY A 468 -1.871 1.636 -19.005 1.00 70.33 H new ATOM 1139 N PHE A 469 -0.615 -0.140 -16.501 1.00 45.52 N ATOM 1140 CA PHE A 469 0.704 -0.814 -16.281 1.00 34.13 C ATOM 1141 C PHE A 469 0.526 -2.364 -16.390 1.00 15.30 C ATOM 1142 O PHE A 469 -0.133 -2.972 -15.534 1.00 12.24 O ATOM 1143 CB PHE A 469 1.344 -0.395 -14.900 1.00 63.42 C ATOM 1144 CG PHE A 469 2.859 -0.607 -14.650 1.00 22.32 C ATOM 1145 CD1 PHE A 469 3.822 -0.826 -15.658 1.00 4.21 C ATOM 1146 CD2 PHE A 469 3.318 -0.530 -13.337 1.00 24.10 C ATOM 1147 CE1 PHE A 469 5.178 -0.966 -15.336 1.00 71.42 C ATOM 1148 CE2 PHE A 469 4.665 -0.676 -13.025 1.00 52.43 C ATOM 1149 CZ PHE A 469 5.588 -0.892 -14.024 1.00 5.32 C ATOM 0 H PHE A 469 -1.138 0.104 -15.660 1.00 45.52 H new ATOM 0 HA PHE A 469 1.398 -0.489 -17.056 1.00 34.13 H new ATOM 0 HB2 PHE A 469 1.137 0.665 -14.756 1.00 63.42 H new ATOM 0 HB3 PHE A 469 0.808 -0.933 -14.118 1.00 63.42 H new ATOM 0 HD1 PHE A 469 3.510 -0.886 -16.690 1.00 4.21 H new ATOM 0 HD2 PHE A 469 2.610 -0.352 -12.541 1.00 24.10 H new ATOM 0 HE1 PHE A 469 5.903 -1.132 -16.119 1.00 71.42 H new ATOM 0 HE2 PHE A 469 4.988 -0.620 -11.996 1.00 52.43 H new ATOM 0 HZ PHE A 469 6.634 -1.003 -13.778 1.00 5.32 H new ATOM 1159 N GLN A 470 1.078 -3.001 -17.462 1.00 52.43 N ATOM 1160 CA GLN A 470 0.862 -4.429 -17.712 1.00 13.01 C ATOM 1161 C GLN A 470 2.124 -5.296 -17.330 1.00 10.31 C ATOM 1162 O GLN A 470 3.202 -5.086 -17.895 1.00 42.30 O ATOM 1163 CB GLN A 470 0.458 -4.512 -19.203 1.00 64.23 C ATOM 1164 CG GLN A 470 0.130 -5.882 -19.819 1.00 12.24 C ATOM 1165 CD GLN A 470 -0.234 -5.808 -21.296 1.00 34.04 C ATOM 1166 OE1 GLN A 470 -0.103 -6.793 -22.017 1.00 21.00 O ATOM 1167 NE2 GLN A 470 -0.595 -4.618 -21.765 1.00 14.04 N ATOM 0 H GLN A 470 1.669 -2.539 -18.153 1.00 52.43 H new ATOM 0 HA GLN A 470 0.079 -4.853 -17.083 1.00 13.01 H new ATOM 0 HB2 GLN A 470 -0.414 -3.873 -19.342 1.00 64.23 H new ATOM 0 HB3 GLN A 470 1.269 -4.076 -19.787 1.00 64.23 H new ATOM 0 HG2 GLN A 470 0.988 -6.542 -19.696 1.00 12.24 H new ATOM 0 HG3 GLN A 470 -0.698 -6.330 -19.270 1.00 12.24 H new ATOM 0 HE21 GLN A 470 -0.692 -3.827 -21.128 1.00 14.04 H new ATOM 0 HE22 GLN A 470 -0.776 -4.496 -22.761 1.00 14.04 H new ATOM 1176 N ILE A 471 1.981 -6.263 -16.354 1.00 42.53 N ATOM 1177 CA ILE A 471 3.127 -7.073 -15.789 1.00 11.12 C ATOM 1178 C ILE A 471 2.547 -8.490 -15.417 1.00 13.32 C ATOM 1179 O ILE A 471 2.025 -8.635 -14.303 1.00 2.43 O ATOM 1180 CB ILE A 471 3.784 -6.429 -14.468 1.00 74.32 C ATOM 1181 CG1 ILE A 471 4.155 -4.948 -14.652 1.00 42.04 C ATOM 1182 CG2 ILE A 471 5.074 -7.150 -14.035 1.00 41.42 C ATOM 1183 CD1 ILE A 471 4.279 -4.198 -13.337 1.00 63.40 C ATOM 0 H ILE A 471 1.079 -6.500 -15.942 1.00 42.53 H new ATOM 0 HA ILE A 471 3.916 -7.113 -16.540 1.00 11.12 H new ATOM 0 HB ILE A 471 3.010 -6.538 -13.708 1.00 74.32 H new ATOM 0 HG12 ILE A 471 5.099 -4.880 -15.193 1.00 42.04 H new ATOM 0 HG13 ILE A 471 3.399 -4.464 -15.270 1.00 42.04 H new ATOM 0 HG21 ILE A 471 5.474 -6.674 -13.140 1.00 41.42 H new ATOM 0 HG22 ILE A 471 4.852 -8.196 -13.822 1.00 41.42 H new ATOM 0 HG23 ILE A 471 5.810 -7.091 -14.837 1.00 41.42 H new ATOM 0 HD11 ILE A 471 4.542 -3.159 -13.534 1.00 63.40 H new ATOM 0 HD12 ILE A 471 3.328 -4.237 -12.805 1.00 63.40 H new ATOM 0 HD13 ILE A 471 5.055 -4.660 -12.727 1.00 63.40 H new ATOM 1195 N GLY A 472 2.579 -9.531 -16.322 1.00 30.51 N ATOM 1196 CA GLY A 472 1.909 -10.812 -16.021 1.00 73.14 C ATOM 1197 C GLY A 472 0.335 -10.687 -16.025 1.00 70.23 C ATOM 1198 O GLY A 472 -0.204 -9.905 -16.813 1.00 22.53 O ATOM 0 H GLY A 472 3.048 -9.494 -17.227 1.00 30.51 H new ATOM 0 HA2 GLY A 472 2.213 -11.558 -16.755 1.00 73.14 H new ATOM 0 HA3 GLY A 472 2.239 -11.171 -15.046 1.00 73.14 H new ATOM 1202 N MET A 473 -0.397 -11.418 -15.137 1.00 4.24 N ATOM 1203 CA MET A 473 -1.928 -11.507 -15.190 1.00 10.03 C ATOM 1204 C MET A 473 -2.714 -10.446 -14.341 1.00 33.44 C ATOM 1205 O MET A 473 -3.857 -10.686 -13.965 1.00 54.32 O ATOM 1206 CB MET A 473 -2.407 -12.994 -14.931 1.00 60.33 C ATOM 1207 CG MET A 473 -2.204 -13.653 -13.541 1.00 32.43 C ATOM 1208 SD MET A 473 -3.524 -13.329 -12.350 1.00 4.00 S ATOM 1209 CE MET A 473 -2.916 -14.184 -10.901 1.00 43.24 C ATOM 0 H MET A 473 0.020 -11.956 -14.377 1.00 4.24 H new ATOM 0 HA MET A 473 -2.196 -11.224 -16.208 1.00 10.03 H new ATOM 0 HB2 MET A 473 -3.473 -13.032 -15.153 1.00 60.33 H new ATOM 0 HB3 MET A 473 -1.906 -13.626 -15.664 1.00 60.33 H new ATOM 0 HG2 MET A 473 -2.111 -14.731 -13.675 1.00 32.43 H new ATOM 0 HG3 MET A 473 -1.261 -13.302 -13.122 1.00 32.43 H new ATOM 0 HE1 MET A 473 -3.630 -14.070 -10.085 1.00 43.24 H new ATOM 0 HE2 MET A 473 -2.792 -15.243 -11.129 1.00 43.24 H new ATOM 0 HE3 MET A 473 -1.956 -13.761 -10.605 1.00 43.24 H new ATOM 1219 N LYS A 474 -2.167 -9.229 -14.150 1.00 53.41 N ATOM 1220 CA LYS A 474 -2.865 -8.161 -13.412 1.00 54.10 C ATOM 1221 C LYS A 474 -2.623 -6.820 -14.149 1.00 5.02 C ATOM 1222 O LYS A 474 -1.526 -6.625 -14.683 1.00 24.12 O ATOM 1223 CB LYS A 474 -2.357 -7.979 -11.948 1.00 33.44 C ATOM 1224 CG LYS A 474 -2.909 -8.927 -10.827 1.00 50.24 C ATOM 1225 CD LYS A 474 -4.201 -8.399 -10.186 1.00 31.10 C ATOM 1226 CE LYS A 474 -4.716 -9.230 -8.996 1.00 50.30 C ATOM 1227 NZ LYS A 474 -3.678 -9.427 -7.943 1.00 23.13 N ATOM 0 H LYS A 474 -1.245 -8.963 -14.497 1.00 53.41 H new ATOM 0 HA LYS A 474 -3.917 -8.445 -13.370 1.00 54.10 H new ATOM 0 HB2 LYS A 474 -1.272 -8.082 -11.961 1.00 33.44 H new ATOM 0 HB3 LYS A 474 -2.576 -6.954 -11.649 1.00 33.44 H new ATOM 0 HG2 LYS A 474 -3.096 -9.914 -11.251 1.00 50.24 H new ATOM 0 HG3 LYS A 474 -2.150 -9.050 -10.055 1.00 50.24 H new ATOM 0 HD2 LYS A 474 -4.032 -7.376 -9.851 1.00 31.10 H new ATOM 0 HD3 LYS A 474 -4.979 -8.360 -10.948 1.00 31.10 H new ATOM 0 HE2 LYS A 474 -5.582 -8.734 -8.559 1.00 50.30 H new ATOM 0 HE3 LYS A 474 -5.053 -10.202 -9.355 1.00 50.30 H new ATOM 0 HZ1 LYS A 474 -4.135 -9.713 -7.054 1.00 23.13 H new ATOM 0 HZ2 LYS A 474 -3.014 -10.168 -8.245 1.00 23.13 H new ATOM 0 HZ3 LYS A 474 -3.160 -8.537 -7.796 1.00 23.13 H new ATOM 1241 N ARG A 475 -3.602 -5.908 -14.212 1.00 70.03 N ATOM 1242 CA ARG A 475 -3.284 -4.517 -14.603 1.00 60.30 C ATOM 1243 C ARG A 475 -3.324 -3.525 -13.381 1.00 74.25 C ATOM 1244 O ARG A 475 -4.290 -3.560 -12.620 1.00 55.15 O ATOM 1245 CB ARG A 475 -4.245 -3.969 -15.709 1.00 13.12 C ATOM 1246 CG ARG A 475 -3.793 -2.662 -16.342 1.00 41.04 C ATOM 1247 CD ARG A 475 -3.473 -2.852 -17.821 1.00 14.13 C ATOM 1248 NE ARG A 475 -2.931 -4.189 -18.105 1.00 73.04 N ATOM 1249 CZ ARG A 475 -3.589 -5.131 -18.811 1.00 2.22 C ATOM 1250 NH1 ARG A 475 -4.784 -4.886 -19.345 1.00 31.01 N ATOM 1251 NH2 ARG A 475 -3.100 -6.354 -18.887 1.00 72.24 N ATOM 0 H ARG A 475 -4.585 -6.090 -14.008 1.00 70.03 H new ATOM 0 HA ARG A 475 -2.269 -4.565 -14.999 1.00 60.30 H new ATOM 0 HB2 ARG A 475 -4.346 -4.722 -16.491 1.00 13.12 H new ATOM 0 HB3 ARG A 475 -5.235 -3.825 -15.275 1.00 13.12 H new ATOM 0 HG2 ARG A 475 -4.574 -1.910 -16.229 1.00 41.04 H new ATOM 0 HG3 ARG A 475 -2.912 -2.287 -15.821 1.00 41.04 H new ATOM 0 HD2 ARG A 475 -4.377 -2.696 -18.409 1.00 14.13 H new ATOM 0 HD3 ARG A 475 -2.754 -2.096 -18.135 1.00 14.13 H new ATOM 0 HE ARG A 475 -2.003 -4.417 -17.747 1.00 73.04 H new ATOM 0 HH11 ARG A 475 -5.219 -3.971 -19.224 1.00 31.01 H new ATOM 0 HH12 ARG A 475 -5.264 -5.613 -19.875 1.00 31.01 H new ATOM 0 HH21 ARG A 475 -2.227 -6.585 -18.413 1.00 72.24 H new ATOM 0 HH22 ARG A 475 -3.595 -7.069 -19.420 1.00 72.24 H new ATOM 1265 N LEU A 476 -2.277 -2.647 -13.200 1.00 3.03 N ATOM 1266 CA LEU A 476 -2.354 -1.467 -12.261 1.00 63.10 C ATOM 1267 C LEU A 476 -3.445 -0.411 -12.750 1.00 31.22 C ATOM 1268 O LEU A 476 -3.313 0.091 -13.877 1.00 62.31 O ATOM 1269 CB LEU A 476 -0.973 -0.706 -12.224 1.00 62.42 C ATOM 1270 CG LEU A 476 -0.665 0.243 -11.038 1.00 51.02 C ATOM 1271 CD1 LEU A 476 0.287 -0.395 -10.029 1.00 2.21 C ATOM 1272 CD2 LEU A 476 -0.025 1.537 -11.508 1.00 44.30 C ATOM 0 H LEU A 476 -1.383 -2.732 -13.684 1.00 3.03 H new ATOM 0 HA LEU A 476 -2.617 -1.861 -11.279 1.00 63.10 H new ATOM 0 HB2 LEU A 476 -0.184 -1.457 -12.257 1.00 62.42 H new ATOM 0 HB3 LEU A 476 -0.896 -0.121 -13.141 1.00 62.42 H new ATOM 0 HG LEU A 476 -1.627 0.445 -10.567 1.00 51.02 H new ATOM 0 HD11 LEU A 476 0.476 0.304 -9.214 1.00 2.21 H new ATOM 0 HD12 LEU A 476 -0.162 -1.304 -9.630 1.00 2.21 H new ATOM 0 HD13 LEU A 476 1.228 -0.641 -10.522 1.00 2.21 H new ATOM 0 HD21 LEU A 476 0.176 2.177 -10.649 1.00 44.30 H new ATOM 0 HD22 LEU A 476 0.910 1.315 -12.022 1.00 44.30 H new ATOM 0 HD23 LEU A 476 -0.701 2.050 -12.192 1.00 44.30 H new ATOM 1284 N LYS A 477 -4.515 -0.072 -11.944 1.00 1.44 N ATOM 1285 CA LYS A 477 -5.481 1.037 -12.325 1.00 34.53 C ATOM 1286 C LYS A 477 -5.461 2.164 -11.207 1.00 14.24 C ATOM 1287 O LYS A 477 -5.928 1.912 -10.091 1.00 51.34 O ATOM 1288 CB LYS A 477 -6.923 0.449 -12.640 1.00 23.51 C ATOM 1289 CG LYS A 477 -8.182 1.407 -12.895 1.00 22.31 C ATOM 1290 CD LYS A 477 -7.935 2.644 -13.791 1.00 10.24 C ATOM 1291 CE LYS A 477 -9.267 3.347 -14.189 1.00 74.13 C ATOM 1292 NZ LYS A 477 -10.228 2.413 -14.831 1.00 71.12 N ATOM 0 H LYS A 477 -4.728 -0.530 -11.058 1.00 1.44 H new ATOM 0 HA LYS A 477 -5.164 1.515 -13.252 1.00 34.53 H new ATOM 0 HB2 LYS A 477 -6.822 -0.182 -13.523 1.00 23.51 H new ATOM 0 HB3 LYS A 477 -7.186 -0.205 -11.809 1.00 23.51 H new ATOM 0 HG2 LYS A 477 -8.978 0.813 -13.345 1.00 22.31 H new ATOM 0 HG3 LYS A 477 -8.549 1.753 -11.929 1.00 22.31 H new ATOM 0 HD2 LYS A 477 -7.294 3.351 -13.265 1.00 10.24 H new ATOM 0 HD3 LYS A 477 -7.402 2.340 -14.692 1.00 10.24 H new ATOM 0 HE2 LYS A 477 -9.725 3.782 -13.301 1.00 74.13 H new ATOM 0 HE3 LYS A 477 -9.051 4.169 -14.872 1.00 74.13 H new ATOM 0 HZ1 LYS A 477 -10.931 2.956 -15.373 1.00 71.12 H new ATOM 0 HZ2 LYS A 477 -9.716 1.774 -15.472 1.00 71.12 H new ATOM 0 HZ3 LYS A 477 -10.712 1.855 -14.099 1.00 71.12 H new ATOM 1306 N VAL A 478 -4.902 3.401 -11.488 1.00 60.54 N ATOM 1307 CA VAL A 478 -4.647 4.428 -10.462 1.00 12.04 C ATOM 1308 C VAL A 478 -5.860 5.419 -10.336 1.00 31.23 C ATOM 1309 O VAL A 478 -6.338 5.918 -11.362 1.00 35.05 O ATOM 1310 CB VAL A 478 -3.267 5.206 -10.798 1.00 24.32 C ATOM 1311 CG1 VAL A 478 -3.232 6.722 -10.519 1.00 63.52 C ATOM 1312 CG2 VAL A 478 -2.071 4.588 -10.093 1.00 64.31 C ATOM 0 H VAL A 478 -4.628 3.687 -12.428 1.00 60.54 H new ATOM 0 HA VAL A 478 -4.538 3.941 -9.493 1.00 12.04 H new ATOM 0 HB VAL A 478 -3.213 5.084 -11.880 1.00 24.32 H new ATOM 0 HG11 VAL A 478 -2.253 7.119 -10.787 1.00 63.52 H new ATOM 0 HG12 VAL A 478 -4.000 7.219 -11.112 1.00 63.52 H new ATOM 0 HG13 VAL A 478 -3.419 6.901 -9.460 1.00 63.52 H new ATOM 0 HG21 VAL A 478 -1.170 5.145 -10.350 1.00 64.31 H new ATOM 0 HG22 VAL A 478 -2.225 4.625 -9.015 1.00 64.31 H new ATOM 0 HG23 VAL A 478 -1.959 3.551 -10.408 1.00 64.31 H new ATOM 1322 N GLN A 479 -6.393 5.679 -9.098 1.00 53.41 N ATOM 1323 CA GLN A 479 -7.403 6.723 -8.893 1.00 43.03 C ATOM 1324 C GLN A 479 -6.838 7.867 -7.965 1.00 22.10 C ATOM 1325 O GLN A 479 -6.435 7.580 -6.832 1.00 11.02 O ATOM 1326 CB GLN A 479 -8.742 6.121 -8.292 1.00 25.11 C ATOM 1327 CG GLN A 479 -8.567 4.947 -7.281 1.00 62.32 C ATOM 1328 CD GLN A 479 -9.773 4.728 -6.387 1.00 75.23 C ATOM 1329 OE1 GLN A 479 -9.924 5.384 -5.354 1.00 54.22 O ATOM 1330 NE2 GLN A 479 -10.578 3.730 -6.709 1.00 74.30 N ATOM 0 H GLN A 479 -6.131 5.176 -8.250 1.00 53.41 H new ATOM 0 HA GLN A 479 -7.641 7.153 -9.866 1.00 43.03 H new ATOM 0 HB2 GLN A 479 -9.288 6.924 -7.796 1.00 25.11 H new ATOM 0 HB3 GLN A 479 -9.364 5.775 -9.117 1.00 25.11 H new ATOM 0 HG2 GLN A 479 -8.364 4.030 -7.834 1.00 62.32 H new ATOM 0 HG3 GLN A 479 -7.694 5.143 -6.658 1.00 62.32 H new ATOM 0 HE21 GLN A 479 -10.424 3.208 -7.572 1.00 74.30 H new ATOM 0 HE22 GLN A 479 -11.353 3.482 -6.095 1.00 74.30 H new