USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=13 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 :FLIP amide:sc= -0.11 X(o=-0.93,f=-0.43) USER MOD Set 1.2: A 423 GLN :FLIP amide:sc= -0.317 F(o=-1.2!,f=-0.43) USER MOD Single : A 398 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 399 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0217) USER MOD Single : A 406 ASN : amide:sc= -0.0779 K(o=-0.078,f=-1.2) USER MOD Single : A 410 TYR OH : rot 180:sc= 0 USER MOD Single : A 411 HIS : no HD1:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 414 GLN : amide:sc= -1.87! C(o=-1.9!,f=-2.8!) USER MOD Single : A 424 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 426 MET CE :methyl -149:sc= -0.201 (180deg=-1.77!) USER MOD Single : A 430 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 433 SER OG : rot 160:sc= -0.544 USER MOD Single : A 435 LYS NZ :NH3+ -171:sc= -0.032 (180deg=-0.159) USER MOD Single : A 452 SER OG : rot 180:sc= 0 USER MOD Single : A 453 TYR OH : rot 31:sc= 0.559 USER MOD Single : A 455 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 458 SER OG : rot 180:sc= 0.0996 USER MOD Single : A 460 GLN : amide:sc=-0.00104 K(o=-0.001,f=-0.63) USER MOD Single : A 464 GLN : amide:sc= -0.389 X(o=-0.39,f=-0.61) USER MOD Single : A 466 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 467 ASN : amide:sc= 0.607 K(o=0.61,f=-0.037) USER MOD Single : A 470 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 473 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 474 LYS NZ :NH3+ 161:sc= 0.495 (180deg=0.307) USER MOD Single : A 477 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 479 GLN : amide:sc= -0.315 X(o=-0.32,f=0) USER MOD ----------------------------------------------------------------- ATOM 56 N GLN A 398 0.563 6.877 7.792 1.00 72.21 N ATOM 57 CA GLN A 398 -0.003 7.727 6.711 1.00 62.22 C ATOM 58 C GLN A 398 -0.445 9.124 7.256 1.00 43.03 C ATOM 59 O GLN A 398 -1.551 9.285 7.782 1.00 33.03 O ATOM 60 CB GLN A 398 -1.157 6.938 5.961 1.00 14.04 C ATOM 61 CG GLN A 398 -2.238 7.733 5.108 1.00 43.43 C ATOM 62 CD GLN A 398 -1.775 8.375 3.785 1.00 75.12 C ATOM 63 OE1 GLN A 398 -0.890 7.867 3.111 1.00 73.33 O ATOM 64 NE2 GLN A 398 -2.421 9.496 3.388 1.00 12.35 N ATOM 0 HA GLN A 398 0.769 7.942 5.972 1.00 62.22 H new ATOM 0 HB2 GLN A 398 -0.679 6.222 5.292 1.00 14.04 H new ATOM 0 HB3 GLN A 398 -1.697 6.361 6.712 1.00 14.04 H new ATOM 0 HG2 GLN A 398 -3.055 7.049 4.881 1.00 43.43 H new ATOM 0 HG3 GLN A 398 -2.649 8.522 5.738 1.00 43.43 H new ATOM 0 HE21 GLN A 398 -3.155 9.896 3.973 1.00 12.35 H new ATOM 0 HE22 GLN A 398 -2.174 9.941 2.504 1.00 12.35 H new ATOM 73 N LYS A 399 0.495 10.088 7.254 1.00 53.53 N ATOM 74 CA LYS A 399 0.175 11.518 7.333 1.00 31.14 C ATOM 75 C LYS A 399 0.427 12.214 5.950 1.00 14.34 C ATOM 76 O LYS A 399 1.540 12.195 5.435 1.00 2.41 O ATOM 77 CB LYS A 399 0.919 12.222 8.522 1.00 0.33 C ATOM 78 CG LYS A 399 2.313 11.670 8.921 1.00 41.01 C ATOM 79 CD LYS A 399 3.361 11.863 7.847 1.00 32.53 C ATOM 80 CE LYS A 399 4.734 11.254 8.208 1.00 25.13 C ATOM 81 NZ LYS A 399 5.344 11.959 9.358 1.00 1.51 N ATOM 0 H LYS A 399 1.495 9.894 7.198 1.00 53.53 H new ATOM 0 HA LYS A 399 -0.887 11.620 7.555 1.00 31.14 H new ATOM 0 HB2 LYS A 399 1.034 13.276 8.270 1.00 0.33 H new ATOM 0 HB3 LYS A 399 0.274 12.173 9.399 1.00 0.33 H new ATOM 0 HG2 LYS A 399 2.644 12.163 9.835 1.00 41.01 H new ATOM 0 HG3 LYS A 399 2.225 10.607 9.146 1.00 41.01 H new ATOM 0 HD2 LYS A 399 3.006 11.414 6.919 1.00 32.53 H new ATOM 0 HD3 LYS A 399 3.484 12.929 7.658 1.00 32.53 H new ATOM 0 HE2 LYS A 399 4.615 10.197 8.447 1.00 25.13 H new ATOM 0 HE3 LYS A 399 5.399 11.313 7.347 1.00 25.13 H new ATOM 0 HZ1 LYS A 399 6.287 11.563 9.547 1.00 1.51 H new ATOM 0 HZ2 LYS A 399 5.431 12.972 9.138 1.00 1.51 H new ATOM 0 HZ3 LYS A 399 4.743 11.838 10.198 1.00 1.51 H new ATOM 95 N GLU A 400 -0.638 12.728 5.307 1.00 55.20 N ATOM 96 CA GLU A 400 -0.514 13.520 4.050 1.00 23.44 C ATOM 97 C GLU A 400 -0.407 15.058 4.306 1.00 11.13 C ATOM 98 O GLU A 400 -0.643 15.526 5.427 1.00 14.51 O ATOM 99 CB GLU A 400 -1.574 13.125 2.937 1.00 33.41 C ATOM 100 CG GLU A 400 -3.053 13.118 3.348 1.00 73.52 C ATOM 101 CD GLU A 400 -3.710 14.489 3.433 1.00 63.33 C ATOM 102 OE1 GLU A 400 -4.202 14.978 2.391 1.00 24.45 O ATOM 103 OE2 GLU A 400 -3.778 15.050 4.547 1.00 43.32 O ATOM 0 H GLU A 400 -1.599 12.614 5.631 1.00 55.20 H new ATOM 0 HA GLU A 400 0.446 13.233 3.620 1.00 23.44 H new ATOM 0 HB2 GLU A 400 -1.459 13.815 2.101 1.00 33.41 H new ATOM 0 HB3 GLU A 400 -1.321 12.131 2.567 1.00 33.41 H new ATOM 0 HG2 GLU A 400 -3.609 12.510 2.634 1.00 73.52 H new ATOM 0 HG3 GLU A 400 -3.141 12.630 4.319 1.00 73.52 H new ATOM 110 N GLY A 401 -0.022 15.821 3.255 1.00 52.22 N ATOM 111 CA GLY A 401 0.513 17.200 3.425 1.00 42.41 C ATOM 112 C GLY A 401 -0.458 18.300 2.986 1.00 52.43 C ATOM 113 O GLY A 401 -1.475 18.452 3.665 1.00 1.13 O ATOM 0 H GLY A 401 -0.070 15.510 2.285 1.00 52.22 H new ATOM 0 HA2 GLY A 401 0.770 17.353 4.473 1.00 42.41 H new ATOM 0 HA3 GLY A 401 1.436 17.294 2.853 1.00 42.41 H new ATOM 117 N PRO A 402 -0.232 19.123 1.885 1.00 43.11 N ATOM 118 CA PRO A 402 -1.183 20.200 1.571 1.00 5.23 C ATOM 119 C PRO A 402 -2.380 19.687 0.743 1.00 44.22 C ATOM 120 O PRO A 402 -2.366 18.542 0.266 1.00 71.12 O ATOM 121 CB PRO A 402 -0.279 21.166 0.781 1.00 54.43 C ATOM 122 CG PRO A 402 0.457 20.238 -0.089 1.00 14.32 C ATOM 123 CD PRO A 402 0.885 19.126 0.845 1.00 22.30 C ATOM 0 HA PRO A 402 -1.659 20.655 2.440 1.00 5.23 H new ATOM 0 HB2 PRO A 402 -0.857 21.893 0.209 1.00 54.43 H new ATOM 0 HB3 PRO A 402 0.387 21.731 1.434 1.00 54.43 H new ATOM 0 HG2 PRO A 402 -0.172 19.862 -0.896 1.00 14.32 H new ATOM 0 HG3 PRO A 402 1.316 20.722 -0.554 1.00 14.32 H new ATOM 0 HD2 PRO A 402 0.962 18.169 0.329 1.00 22.30 H new ATOM 0 HD3 PRO A 402 1.858 19.325 1.294 1.00 22.30 H new ATOM 131 N GLU A 403 -3.434 20.503 0.646 1.00 25.23 N ATOM 132 CA GLU A 403 -4.540 20.255 -0.263 1.00 41.34 C ATOM 133 C GLU A 403 -3.984 20.152 -1.720 1.00 21.35 C ATOM 134 O GLU A 403 -3.348 21.089 -2.224 1.00 10.51 O ATOM 135 CB GLU A 403 -5.593 21.389 -0.039 1.00 32.21 C ATOM 136 CG GLU A 403 -5.594 22.634 -0.966 1.00 63.03 C ATOM 137 CD GLU A 403 -6.539 22.516 -2.161 1.00 32.40 C ATOM 138 OE1 GLU A 403 -7.771 22.635 -1.959 1.00 51.54 O ATOM 139 OE2 GLU A 403 -6.052 22.335 -3.300 1.00 12.31 O ATOM 0 H GLU A 403 -3.538 21.353 1.200 1.00 25.23 H new ATOM 0 HA GLU A 403 -5.046 19.308 -0.077 1.00 41.34 H new ATOM 0 HB2 GLU A 403 -6.581 20.933 -0.105 1.00 32.21 H new ATOM 0 HB3 GLU A 403 -5.475 21.745 0.984 1.00 32.21 H new ATOM 0 HG2 GLU A 403 -5.872 23.510 -0.381 1.00 63.03 H new ATOM 0 HG3 GLU A 403 -4.581 22.803 -1.332 1.00 63.03 H new ATOM 146 N GLY A 404 -4.092 18.960 -2.322 1.00 32.04 N ATOM 147 CA GLY A 404 -3.786 18.803 -3.721 1.00 13.14 C ATOM 148 C GLY A 404 -2.833 17.632 -4.103 1.00 42.12 C ATOM 149 O GLY A 404 -2.527 17.492 -5.285 1.00 53.05 O ATOM 0 H GLY A 404 -4.388 18.105 -1.852 1.00 32.04 H new ATOM 0 HA2 GLY A 404 -4.723 18.668 -4.261 1.00 13.14 H new ATOM 0 HA3 GLY A 404 -3.343 19.732 -4.078 1.00 13.14 H new ATOM 153 N ALA A 405 -2.356 16.778 -3.152 1.00 4.13 N ATOM 154 CA ALA A 405 -1.518 15.619 -3.545 1.00 2.50 C ATOM 155 C ALA A 405 -2.071 14.367 -2.831 1.00 71.42 C ATOM 156 O ALA A 405 -1.897 14.252 -1.620 1.00 41.33 O ATOM 157 CB ALA A 405 -0.057 15.855 -3.112 1.00 4.42 C ATOM 0 H ALA A 405 -2.530 16.867 -2.151 1.00 4.13 H new ATOM 0 HA ALA A 405 -1.544 15.487 -4.627 1.00 2.50 H new ATOM 0 HB1 ALA A 405 0.552 14.999 -3.404 1.00 4.42 H new ATOM 0 HB2 ALA A 405 0.325 16.754 -3.595 1.00 4.42 H new ATOM 0 HB3 ALA A 405 -0.014 15.978 -2.030 1.00 4.42 H new ATOM 163 N ASN A 406 -2.695 13.427 -3.577 1.00 63.40 N ATOM 164 CA ASN A 406 -3.045 12.035 -3.078 1.00 35.53 C ATOM 165 C ASN A 406 -3.171 11.026 -4.265 1.00 41.54 C ATOM 166 O ASN A 406 -4.038 11.204 -5.112 1.00 4.01 O ATOM 167 CB ASN A 406 -4.419 12.141 -2.318 1.00 4.31 C ATOM 168 CG ASN A 406 -4.361 12.676 -0.885 1.00 62.34 C ATOM 169 OD1 ASN A 406 -3.505 12.289 -0.099 1.00 22.02 O ATOM 170 ND2 ASN A 406 -5.294 13.578 -0.532 1.00 24.42 N ATOM 0 H ASN A 406 -2.979 13.591 -4.543 1.00 63.40 H new ATOM 0 HA ASN A 406 -2.258 11.667 -2.420 1.00 35.53 H new ATOM 0 HB2 ASN A 406 -5.082 12.784 -2.897 1.00 4.31 H new ATOM 0 HB3 ASN A 406 -4.875 11.151 -2.296 1.00 4.31 H new ATOM 0 HD21 ASN A 406 -5.302 13.960 0.414 1.00 24.42 H new ATOM 0 HD22 ASN A 406 -5.994 13.880 -1.210 1.00 24.42 H new ATOM 177 N LEU A 407 -2.316 9.978 -4.327 1.00 51.43 N ATOM 178 CA LEU A 407 -2.477 8.855 -5.335 1.00 1.51 C ATOM 179 C LEU A 407 -2.892 7.478 -4.646 1.00 2.32 C ATOM 180 O LEU A 407 -2.063 6.960 -3.886 1.00 11.22 O ATOM 181 CB LEU A 407 -1.091 8.622 -5.990 1.00 2.32 C ATOM 182 CG LEU A 407 -0.805 9.119 -7.435 1.00 74.34 C ATOM 183 CD1 LEU A 407 0.257 8.274 -8.084 1.00 31.25 C ATOM 184 CD2 LEU A 407 -2.022 9.237 -8.326 1.00 72.41 C ATOM 0 H LEU A 407 -1.512 9.869 -3.709 1.00 51.43 H new ATOM 0 HA LEU A 407 -3.254 9.143 -6.043 1.00 1.51 H new ATOM 0 HB2 LEU A 407 -0.347 9.081 -5.339 1.00 2.32 H new ATOM 0 HB3 LEU A 407 -0.906 7.548 -5.977 1.00 2.32 H new ATOM 0 HG LEU A 407 -0.446 10.142 -7.319 1.00 74.34 H new ATOM 0 HD11 LEU A 407 0.444 8.637 -9.095 1.00 31.25 H new ATOM 0 HD12 LEU A 407 1.176 8.334 -7.501 1.00 31.25 H new ATOM 0 HD13 LEU A 407 -0.078 7.238 -8.127 1.00 31.25 H new ATOM 0 HD21 LEU A 407 -1.719 9.591 -9.311 1.00 72.41 H new ATOM 0 HD22 LEU A 407 -2.499 8.262 -8.421 1.00 72.41 H new ATOM 0 HD23 LEU A 407 -2.727 9.944 -7.888 1.00 72.41 H new ATOM 196 N PHE A 408 -4.125 6.842 -4.863 1.00 43.02 N ATOM 197 CA PHE A 408 -4.329 5.412 -4.343 1.00 22.24 C ATOM 198 C PHE A 408 -4.519 4.344 -5.476 1.00 40.33 C ATOM 199 O PHE A 408 -4.905 4.676 -6.598 1.00 71.15 O ATOM 200 CB PHE A 408 -5.399 5.236 -3.194 1.00 4.34 C ATOM 201 CG PHE A 408 -5.193 6.094 -1.937 1.00 45.12 C ATOM 202 CD1 PHE A 408 -3.921 6.442 -1.478 1.00 62.15 C ATOM 203 CD2 PHE A 408 -6.285 6.580 -1.240 1.00 54.11 C ATOM 204 CE1 PHE A 408 -3.749 7.253 -0.363 1.00 54.34 C ATOM 205 CE2 PHE A 408 -6.118 7.374 -0.119 1.00 53.41 C ATOM 206 CZ PHE A 408 -4.853 7.716 0.312 1.00 32.22 C ATOM 0 H PHE A 408 -4.922 7.253 -5.348 1.00 43.02 H new ATOM 0 HA PHE A 408 -3.371 5.212 -3.863 1.00 22.24 H new ATOM 0 HB2 PHE A 408 -6.383 5.462 -3.605 1.00 4.34 H new ATOM 0 HB3 PHE A 408 -5.411 4.188 -2.895 1.00 4.34 H new ATOM 0 HD1 PHE A 408 -3.051 6.073 -2.001 1.00 62.15 H new ATOM 0 HD2 PHE A 408 -7.282 6.336 -1.576 1.00 54.11 H new ATOM 0 HE1 PHE A 408 -2.756 7.517 -0.030 1.00 54.34 H new ATOM 0 HE2 PHE A 408 -6.983 7.728 0.422 1.00 53.41 H new ATOM 0 HZ PHE A 408 -4.730 8.347 1.180 1.00 32.22 H new ATOM 216 N ILE A 409 -4.252 3.032 -5.141 1.00 15.10 N ATOM 217 CA ILE A 409 -3.925 1.953 -6.183 1.00 33.24 C ATOM 218 C ILE A 409 -5.039 0.818 -6.131 1.00 53.31 C ATOM 219 O ILE A 409 -5.063 0.076 -5.158 1.00 54.45 O ATOM 220 CB ILE A 409 -2.432 1.281 -6.064 1.00 53.00 C ATOM 221 CG1 ILE A 409 -1.236 2.257 -6.442 1.00 30.11 C ATOM 222 CG2 ILE A 409 -2.248 0.027 -6.998 1.00 65.45 C ATOM 223 CD1 ILE A 409 -1.133 3.694 -5.908 1.00 32.34 C ATOM 0 H ILE A 409 -4.253 2.689 -4.180 1.00 15.10 H new ATOM 0 HA ILE A 409 -3.921 2.468 -7.144 1.00 33.24 H new ATOM 0 HB ILE A 409 -2.385 1.016 -5.008 1.00 53.00 H new ATOM 0 HG12 ILE A 409 -0.317 1.750 -6.148 1.00 30.11 H new ATOM 0 HG13 ILE A 409 -1.226 2.329 -7.530 1.00 30.11 H new ATOM 0 HG21 ILE A 409 -1.242 -0.374 -6.875 1.00 65.45 H new ATOM 0 HG22 ILE A 409 -2.978 -0.737 -6.730 1.00 65.45 H new ATOM 0 HG23 ILE A 409 -2.397 0.322 -8.037 1.00 65.45 H new ATOM 0 HD11 ILE A 409 -0.233 4.165 -6.303 1.00 32.34 H new ATOM 0 HD12 ILE A 409 -2.008 4.263 -6.223 1.00 32.34 H new ATOM 0 HD13 ILE A 409 -1.085 3.675 -4.819 1.00 32.34 H new ATOM 235 N TYR A 410 -5.983 0.684 -7.136 1.00 63.04 N ATOM 236 CA TYR A 410 -6.914 -0.500 -7.217 1.00 41.34 C ATOM 237 C TYR A 410 -6.323 -1.541 -8.215 1.00 3.20 C ATOM 238 O TYR A 410 -5.891 -1.137 -9.301 1.00 14.51 O ATOM 239 CB TYR A 410 -8.341 -0.024 -7.697 1.00 64.43 C ATOM 240 CG TYR A 410 -9.423 0.301 -6.661 1.00 3.42 C ATOM 241 CD1 TYR A 410 -9.202 0.971 -5.436 1.00 31.54 C ATOM 242 CD2 TYR A 410 -10.734 -0.082 -6.958 1.00 13.22 C ATOM 243 CE1 TYR A 410 -10.270 1.233 -4.568 1.00 61.35 C ATOM 244 CE2 TYR A 410 -11.779 0.180 -6.101 1.00 35.23 C ATOM 245 CZ TYR A 410 -11.550 0.829 -4.912 1.00 2.50 C ATOM 246 OH TYR A 410 -12.606 1.075 -4.071 1.00 31.33 O ATOM 0 H TYR A 410 -6.113 1.367 -7.882 1.00 63.04 H new ATOM 0 HA TYR A 410 -7.016 -0.961 -6.235 1.00 41.34 H new ATOM 0 HB2 TYR A 410 -8.198 0.867 -8.309 1.00 64.43 H new ATOM 0 HB3 TYR A 410 -8.740 -0.799 -8.351 1.00 64.43 H new ATOM 0 HD1 TYR A 410 -8.203 1.283 -5.168 1.00 31.54 H new ATOM 0 HD2 TYR A 410 -10.933 -0.598 -7.886 1.00 13.22 H new ATOM 0 HE1 TYR A 410 -10.096 1.748 -3.635 1.00 61.35 H new ATOM 0 HE2 TYR A 410 -12.781 -0.125 -6.364 1.00 35.23 H new ATOM 0 HH TYR A 410 -13.430 0.725 -4.470 1.00 31.33 H new ATOM 256 N HIS A 411 -6.282 -2.882 -7.815 1.00 22.02 N ATOM 257 CA HIS A 411 -5.617 -3.981 -8.576 1.00 43.34 C ATOM 258 C HIS A 411 -4.067 -3.927 -8.515 1.00 63.14 C ATOM 259 O HIS A 411 -3.388 -3.780 -9.538 1.00 34.35 O ATOM 260 CB HIS A 411 -6.065 -4.101 -10.022 1.00 43.23 C ATOM 261 CG HIS A 411 -7.443 -4.651 -10.212 1.00 53.05 C ATOM 262 ND1 HIS A 411 -7.835 -5.919 -9.826 1.00 74.12 N ATOM 263 CD2 HIS A 411 -8.530 -4.078 -10.762 1.00 21.33 C ATOM 264 CE1 HIS A 411 -9.106 -6.096 -10.136 1.00 13.50 C ATOM 265 NE2 HIS A 411 -9.554 -4.992 -10.705 1.00 4.01 N ATOM 0 H HIS A 411 -6.717 -3.206 -6.951 1.00 22.02 H new ATOM 0 HA HIS A 411 -5.952 -4.877 -8.054 1.00 43.34 H new ATOM 0 HB2 HIS A 411 -6.016 -3.115 -10.485 1.00 43.23 H new ATOM 0 HB3 HIS A 411 -5.359 -4.738 -10.554 1.00 43.23 H new ATOM 0 HD2 HIS A 411 -8.587 -3.081 -11.173 1.00 21.33 H new ATOM 0 HE1 HIS A 411 -9.682 -6.992 -9.955 1.00 13.50 H new ATOM 0 HE2 HIS A 411 -10.504 -4.842 -11.046 1.00 4.01 H new ATOM 274 N LEU A 412 -3.537 -4.000 -7.296 1.00 71.44 N ATOM 275 CA LEU A 412 -2.106 -4.136 -7.023 1.00 33.14 C ATOM 276 C LEU A 412 -1.538 -5.444 -7.642 1.00 24.42 C ATOM 277 O LEU A 412 -2.095 -6.520 -7.382 1.00 3.15 O ATOM 278 CB LEU A 412 -1.813 -4.045 -5.470 1.00 54.23 C ATOM 279 CG LEU A 412 -0.462 -4.629 -4.984 1.00 61.25 C ATOM 280 CD1 LEU A 412 0.264 -3.721 -4.011 1.00 45.03 C ATOM 281 CD2 LEU A 412 -0.619 -6.017 -4.335 1.00 52.23 C ATOM 0 H LEU A 412 -4.104 -3.965 -6.449 1.00 71.44 H new ATOM 0 HA LEU A 412 -1.590 -3.303 -7.501 1.00 33.14 H new ATOM 0 HB2 LEU A 412 -1.857 -2.996 -5.176 1.00 54.23 H new ATOM 0 HB3 LEU A 412 -2.616 -4.558 -4.941 1.00 54.23 H new ATOM 0 HG LEU A 412 0.136 -4.719 -5.891 1.00 61.25 H new ATOM 0 HD11 LEU A 412 1.202 -4.187 -3.709 1.00 45.03 H new ATOM 0 HD12 LEU A 412 0.472 -2.765 -4.492 1.00 45.03 H new ATOM 0 HD13 LEU A 412 -0.359 -3.557 -3.132 1.00 45.03 H new ATOM 0 HD21 LEU A 412 0.357 -6.380 -4.012 1.00 52.23 H new ATOM 0 HD22 LEU A 412 -1.282 -5.943 -3.473 1.00 52.23 H new ATOM 0 HD23 LEU A 412 -1.043 -6.712 -5.060 1.00 52.23 H new ATOM 293 N PRO A 413 -0.464 -5.388 -8.509 1.00 14.44 N ATOM 294 CA PRO A 413 0.185 -6.592 -9.048 1.00 13.42 C ATOM 295 C PRO A 413 1.060 -7.446 -8.090 1.00 54.44 C ATOM 296 O PRO A 413 1.225 -7.141 -6.913 1.00 40.23 O ATOM 297 CB PRO A 413 0.910 -6.154 -10.276 1.00 4.53 C ATOM 298 CG PRO A 413 1.142 -4.715 -10.155 1.00 20.25 C ATOM 299 CD PRO A 413 0.188 -4.159 -9.119 1.00 0.24 C ATOM 0 HA PRO A 413 -0.600 -7.319 -9.255 1.00 13.42 H new ATOM 0 HB2 PRO A 413 1.855 -6.688 -10.375 1.00 4.53 H new ATOM 0 HB3 PRO A 413 0.323 -6.375 -11.168 1.00 4.53 H new ATOM 0 HG2 PRO A 413 2.174 -4.521 -9.862 1.00 20.25 H new ATOM 0 HG3 PRO A 413 0.986 -4.224 -11.116 1.00 20.25 H new ATOM 0 HD2 PRO A 413 0.716 -3.574 -8.366 1.00 0.24 H new ATOM 0 HD3 PRO A 413 -0.552 -3.500 -9.573 1.00 0.24 H new ATOM 307 N GLN A 414 1.620 -8.516 -8.693 1.00 72.32 N ATOM 308 CA GLN A 414 1.874 -9.866 -8.147 1.00 3.12 C ATOM 309 C GLN A 414 2.199 -10.107 -6.613 1.00 33.23 C ATOM 310 O GLN A 414 1.366 -10.728 -5.960 1.00 30.34 O ATOM 311 CB GLN A 414 3.096 -10.340 -9.000 1.00 1.05 C ATOM 312 CG GLN A 414 4.139 -9.240 -9.401 1.00 32.24 C ATOM 313 CD GLN A 414 5.321 -9.107 -8.433 1.00 51.53 C ATOM 314 OE1 GLN A 414 5.746 -10.076 -7.815 1.00 5.13 O ATOM 315 NE2 GLN A 414 5.841 -7.887 -8.304 1.00 55.43 N ATOM 0 H GLN A 414 1.934 -8.451 -9.661 1.00 72.32 H new ATOM 0 HA GLN A 414 0.926 -10.400 -8.208 1.00 3.12 H new ATOM 0 HB2 GLN A 414 3.618 -11.119 -8.444 1.00 1.05 H new ATOM 0 HB3 GLN A 414 2.717 -10.800 -9.913 1.00 1.05 H new ATOM 0 HG2 GLN A 414 4.523 -9.466 -10.396 1.00 32.24 H new ATOM 0 HG3 GLN A 414 3.629 -8.279 -9.467 1.00 32.24 H new ATOM 0 HE21 GLN A 414 5.455 -7.109 -8.839 1.00 55.43 H new ATOM 0 HE22 GLN A 414 6.625 -7.731 -7.671 1.00 55.43 H new ATOM 324 N GLU A 415 3.316 -9.662 -6.013 1.00 34.15 N ATOM 325 CA GLU A 415 3.493 -9.747 -4.530 1.00 4.41 C ATOM 326 C GLU A 415 3.585 -8.354 -3.854 1.00 40.04 C ATOM 327 O GLU A 415 3.709 -8.293 -2.628 1.00 2.42 O ATOM 328 CB GLU A 415 4.665 -10.776 -4.159 1.00 20.11 C ATOM 329 CG GLU A 415 5.743 -10.352 -3.152 1.00 71.12 C ATOM 330 CD GLU A 415 7.139 -10.733 -3.610 1.00 31.20 C ATOM 331 OE1 GLU A 415 7.517 -10.364 -4.745 1.00 34.14 O ATOM 332 OE2 GLU A 415 7.851 -11.412 -2.846 1.00 10.22 O ATOM 0 H GLU A 415 4.103 -9.245 -6.510 1.00 34.15 H new ATOM 0 HA GLU A 415 2.588 -10.169 -4.093 1.00 4.41 H new ATOM 0 HB2 GLU A 415 4.196 -11.682 -3.776 1.00 20.11 H new ATOM 0 HB3 GLU A 415 5.170 -11.046 -5.086 1.00 20.11 H new ATOM 0 HG2 GLU A 415 5.694 -9.273 -3.002 1.00 71.12 H new ATOM 0 HG3 GLU A 415 5.540 -10.817 -2.187 1.00 71.12 H new ATOM 339 N PHE A 416 3.244 -7.273 -4.603 1.00 23.45 N ATOM 340 CA PHE A 416 3.987 -5.959 -4.459 1.00 43.41 C ATOM 341 C PHE A 416 3.936 -5.428 -2.972 1.00 24.23 C ATOM 342 O PHE A 416 2.913 -4.891 -2.547 1.00 10.33 O ATOM 343 CB PHE A 416 3.418 -4.810 -5.401 1.00 11.00 C ATOM 344 CG PHE A 416 4.175 -4.306 -6.619 1.00 10.31 C ATOM 345 CD1 PHE A 416 5.192 -4.983 -7.307 1.00 22.23 C ATOM 346 CD2 PHE A 416 3.800 -3.046 -7.076 1.00 53.32 C ATOM 347 CE1 PHE A 416 5.797 -4.401 -8.416 1.00 34.33 C ATOM 348 CE2 PHE A 416 4.391 -2.475 -8.179 1.00 44.52 C ATOM 349 CZ PHE A 416 5.391 -3.151 -8.858 1.00 43.15 C ATOM 0 H PHE A 416 2.492 -7.265 -5.292 1.00 23.45 H new ATOM 0 HA PHE A 416 5.012 -6.182 -4.755 1.00 43.41 H new ATOM 0 HB2 PHE A 416 2.446 -5.151 -5.757 1.00 11.00 H new ATOM 0 HB3 PHE A 416 3.239 -3.944 -4.764 1.00 11.00 H new ATOM 0 HD1 PHE A 416 5.507 -5.961 -6.974 1.00 22.23 H new ATOM 0 HD2 PHE A 416 3.027 -2.504 -6.552 1.00 53.32 H new ATOM 0 HE1 PHE A 416 6.586 -4.925 -8.935 1.00 34.33 H new ATOM 0 HE2 PHE A 416 4.075 -1.499 -8.516 1.00 44.52 H new ATOM 0 HZ PHE A 416 5.852 -2.707 -9.728 1.00 43.15 H new ATOM 359 N GLY A 417 5.039 -5.609 -2.169 1.00 11.21 N ATOM 360 CA GLY A 417 5.058 -5.184 -0.761 1.00 53.13 C ATOM 361 C GLY A 417 5.725 -3.811 -0.514 1.00 11.15 C ATOM 362 O GLY A 417 6.044 -3.131 -1.493 1.00 73.13 O ATOM 0 H GLY A 417 5.906 -6.043 -2.487 1.00 11.21 H new ATOM 0 HA2 GLY A 417 4.033 -5.147 -0.392 1.00 53.13 H new ATOM 0 HA3 GLY A 417 5.581 -5.939 -0.174 1.00 53.13 H new ATOM 366 N ASP A 418 5.922 -3.396 0.798 1.00 71.32 N ATOM 367 CA ASP A 418 6.457 -2.028 1.179 1.00 65.15 C ATOM 368 C ASP A 418 7.734 -1.645 0.397 1.00 33.41 C ATOM 369 O ASP A 418 7.817 -0.538 -0.150 1.00 44.45 O ATOM 370 CB ASP A 418 6.713 -1.871 2.740 1.00 42.10 C ATOM 371 CG ASP A 418 8.079 -1.298 3.130 1.00 74.51 C ATOM 372 OD1 ASP A 418 8.215 -0.058 3.211 1.00 50.43 O ATOM 373 OD2 ASP A 418 9.001 -2.097 3.389 1.00 64.41 O ATOM 0 H ASP A 418 5.718 -3.989 1.602 1.00 71.32 H new ATOM 0 HA ASP A 418 5.664 -1.335 0.898 1.00 65.15 H new ATOM 0 HB2 ASP A 418 5.937 -1.228 3.155 1.00 42.10 H new ATOM 0 HB3 ASP A 418 6.601 -2.849 3.209 1.00 42.10 H new ATOM 378 N GLN A 419 8.688 -2.585 0.353 1.00 52.13 N ATOM 379 CA GLN A 419 10.002 -2.358 -0.239 1.00 35.40 C ATOM 380 C GLN A 419 9.934 -1.918 -1.709 1.00 21.54 C ATOM 381 O GLN A 419 10.636 -0.970 -2.075 1.00 23.45 O ATOM 382 CB GLN A 419 10.964 -3.562 -0.050 1.00 25.55 C ATOM 383 CG GLN A 419 10.736 -4.785 -0.991 1.00 55.25 C ATOM 384 CD GLN A 419 11.857 -5.021 -2.005 1.00 51.11 C ATOM 385 OE1 GLN A 419 12.573 -3.980 -2.421 1.00 23.14 O flip ATOM 386 NE2 GLN A 419 12.075 -6.158 -2.420 1.00 32.23 N flip ATOM 0 H GLN A 419 8.564 -3.525 0.730 1.00 52.13 H new ATOM 0 HA GLN A 419 10.424 -1.522 0.318 1.00 35.40 H new ATOM 0 HB2 GLN A 419 11.986 -3.209 -0.190 1.00 25.55 H new ATOM 0 HB3 GLN A 419 10.884 -3.905 0.982 1.00 25.55 H new ATOM 0 HG2 GLN A 419 10.620 -5.681 -0.381 1.00 55.25 H new ATOM 0 HG3 GLN A 419 9.799 -4.643 -1.530 1.00 55.25 H new ATOM 0 HE21 GLN A 419 11.512 -6.940 -2.085 1.00 32.23 H new ATOM 0 HE22 GLN A 419 12.819 -6.319 -3.099 1.00 32.23 H new ATOM 395 N ASP A 420 9.076 -2.560 -2.536 1.00 10.33 N ATOM 396 CA ASP A 420 8.944 -2.142 -3.951 1.00 41.33 C ATOM 397 C ASP A 420 8.391 -0.724 -4.097 1.00 70.02 C ATOM 398 O ASP A 420 8.999 0.073 -4.803 1.00 40.02 O ATOM 399 CB ASP A 420 8.145 -3.105 -4.865 1.00 44.34 C ATOM 400 CG ASP A 420 7.185 -2.404 -5.794 1.00 61.25 C ATOM 401 OD1 ASP A 420 6.041 -2.180 -5.381 1.00 12.21 O ATOM 402 OD2 ASP A 420 7.593 -2.060 -6.929 1.00 53.31 O ATOM 0 H ASP A 420 8.483 -3.343 -2.261 1.00 10.33 H new ATOM 0 HA ASP A 420 9.975 -2.173 -4.304 1.00 41.33 H new ATOM 0 HB2 ASP A 420 8.845 -3.694 -5.457 1.00 44.34 H new ATOM 0 HB3 ASP A 420 7.588 -3.805 -4.242 1.00 44.34 H new ATOM 407 N ILE A 421 7.256 -0.424 -3.405 1.00 40.05 N ATOM 408 CA ILE A 421 6.510 0.833 -3.623 1.00 73.50 C ATOM 409 C ILE A 421 7.378 2.083 -3.307 1.00 30.41 C ATOM 410 O ILE A 421 7.096 3.178 -3.801 1.00 42.45 O ATOM 411 CB ILE A 421 5.116 0.852 -2.797 1.00 14.13 C ATOM 412 CG1 ILE A 421 3.841 1.027 -3.713 1.00 23.31 C ATOM 413 CG2 ILE A 421 5.076 1.855 -1.626 1.00 30.02 C ATOM 414 CD1 ILE A 421 2.624 1.754 -3.121 1.00 31.30 C ATOM 0 H ILE A 421 6.846 -1.035 -2.699 1.00 40.05 H new ATOM 0 HA ILE A 421 6.260 0.876 -4.683 1.00 73.50 H new ATOM 0 HB ILE A 421 5.080 -0.145 -2.358 1.00 14.13 H new ATOM 0 HG12 ILE A 421 4.146 1.563 -4.612 1.00 23.31 H new ATOM 0 HG13 ILE A 421 3.517 0.035 -4.028 1.00 23.31 H new ATOM 0 HG21 ILE A 421 4.106 1.798 -1.131 1.00 30.02 H new ATOM 0 HG22 ILE A 421 5.863 1.612 -0.912 1.00 30.02 H new ATOM 0 HG23 ILE A 421 5.231 2.865 -2.006 1.00 30.02 H new ATOM 0 HD11 ILE A 421 1.829 1.797 -3.865 1.00 31.30 H new ATOM 0 HD12 ILE A 421 2.270 1.215 -2.242 1.00 31.30 H new ATOM 0 HD13 ILE A 421 2.909 2.767 -2.835 1.00 31.30 H new ATOM 426 N LEU A 422 8.478 1.880 -2.559 1.00 51.42 N ATOM 427 CA LEU A 422 9.243 2.974 -2.060 1.00 35.24 C ATOM 428 C LEU A 422 10.287 3.363 -3.125 1.00 13.45 C ATOM 429 O LEU A 422 10.577 4.528 -3.315 1.00 33.33 O ATOM 430 CB LEU A 422 9.898 2.660 -0.638 1.00 52.40 C ATOM 431 CG LEU A 422 10.817 3.772 -0.020 1.00 12.12 C ATOM 432 CD1 LEU A 422 10.106 5.114 0.243 1.00 41.13 C ATOM 433 CD2 LEU A 422 11.483 3.360 1.298 1.00 43.21 C ATOM 0 H LEU A 422 8.835 0.960 -2.302 1.00 51.42 H new ATOM 0 HA LEU A 422 8.585 3.824 -1.880 1.00 35.24 H new ATOM 0 HB2 LEU A 422 9.094 2.453 0.068 1.00 52.40 H new ATOM 0 HB3 LEU A 422 10.485 1.746 -0.729 1.00 52.40 H new ATOM 0 HG LEU A 422 11.567 3.903 -0.800 1.00 12.12 H new ATOM 0 HD11 LEU A 422 10.815 5.824 0.670 1.00 41.13 H new ATOM 0 HD12 LEU A 422 9.717 5.510 -0.695 1.00 41.13 H new ATOM 0 HD13 LEU A 422 9.283 4.959 0.941 1.00 41.13 H new ATOM 0 HD21 LEU A 422 12.102 4.179 1.664 1.00 43.21 H new ATOM 0 HD22 LEU A 422 10.716 3.127 2.036 1.00 43.21 H new ATOM 0 HD23 LEU A 422 12.106 2.481 1.132 1.00 43.21 H new ATOM 445 N GLN A 423 10.826 2.347 -3.824 1.00 74.23 N ATOM 446 CA GLN A 423 11.808 2.552 -4.946 1.00 14.15 C ATOM 447 C GLN A 423 11.135 2.781 -6.305 1.00 43.20 C ATOM 448 O GLN A 423 11.458 3.750 -6.986 1.00 64.41 O ATOM 449 CB GLN A 423 12.777 1.344 -5.157 1.00 72.00 C ATOM 450 CG GLN A 423 13.726 0.983 -4.026 1.00 32.34 C ATOM 451 CD GLN A 423 13.821 -0.546 -3.797 1.00 63.30 C ATOM 452 OE1 GLN A 423 12.755 -1.358 -4.082 1.00 32.15 O flip ATOM 453 NE2 GLN A 423 14.867 -1.025 -3.362 1.00 15.23 N flip ATOM 0 H GLN A 423 10.608 1.367 -3.644 1.00 74.23 H new ATOM 0 HA GLN A 423 12.357 3.437 -4.625 1.00 14.15 H new ATOM 0 HB2 GLN A 423 12.171 0.465 -5.378 1.00 72.00 H new ATOM 0 HB3 GLN A 423 13.377 1.549 -6.044 1.00 72.00 H new ATOM 0 HG2 GLN A 423 14.718 1.376 -4.249 1.00 32.34 H new ATOM 0 HG3 GLN A 423 13.391 1.465 -3.107 1.00 32.34 H new ATOM 0 HE21 GLN A 423 15.658 -0.416 -3.151 1.00 15.23 H new ATOM 0 HE22 GLN A 423 14.944 -2.031 -3.212 1.00 15.23 H new ATOM 462 N MET A 424 10.268 1.849 -6.735 1.00 70.03 N ATOM 463 CA MET A 424 9.698 1.910 -8.115 1.00 63.44 C ATOM 464 C MET A 424 8.717 3.120 -8.315 1.00 73.24 C ATOM 465 O MET A 424 8.483 3.536 -9.456 1.00 71.23 O ATOM 466 CB MET A 424 9.079 0.520 -8.590 1.00 14.20 C ATOM 467 CG MET A 424 8.680 0.413 -10.099 1.00 0.44 C ATOM 468 SD MET A 424 9.916 1.104 -11.217 1.00 4.24 S ATOM 469 CE MET A 424 8.845 1.900 -12.418 1.00 40.40 C ATOM 0 H MET A 424 9.946 1.060 -6.174 1.00 70.03 H new ATOM 0 HA MET A 424 10.541 2.100 -8.780 1.00 63.44 H new ATOM 0 HB2 MET A 424 9.800 -0.267 -8.371 1.00 14.20 H new ATOM 0 HB3 MET A 424 8.193 0.317 -7.988 1.00 14.20 H new ATOM 0 HG2 MET A 424 8.518 -0.635 -10.351 1.00 0.44 H new ATOM 0 HG3 MET A 424 7.732 0.928 -10.254 1.00 0.44 H new ATOM 0 HE1 MET A 424 9.452 2.380 -13.186 1.00 40.40 H new ATOM 0 HE2 MET A 424 8.199 1.154 -12.880 1.00 40.40 H new ATOM 0 HE3 MET A 424 8.233 2.651 -11.918 1.00 40.40 H new ATOM 479 N PHE A 425 8.165 3.747 -7.235 1.00 73.35 N ATOM 480 CA PHE A 425 7.358 4.965 -7.404 1.00 34.15 C ATOM 481 C PHE A 425 8.199 6.263 -7.072 1.00 1.20 C ATOM 482 O PHE A 425 7.671 7.373 -7.119 1.00 73.14 O ATOM 483 CB PHE A 425 6.035 4.776 -6.619 1.00 70.54 C ATOM 484 CG PHE A 425 4.765 4.599 -7.458 1.00 74.23 C ATOM 485 CD1 PHE A 425 4.399 3.330 -7.928 1.00 14.32 C ATOM 486 CD2 PHE A 425 3.881 5.664 -7.713 1.00 54.33 C ATOM 487 CE1 PHE A 425 3.220 3.139 -8.628 1.00 42.40 C ATOM 488 CE2 PHE A 425 2.708 5.449 -8.389 1.00 43.33 C ATOM 489 CZ PHE A 425 2.380 4.195 -8.851 1.00 72.33 C ATOM 0 H PHE A 425 8.267 3.431 -6.271 1.00 73.35 H new ATOM 0 HA PHE A 425 7.074 5.127 -8.444 1.00 34.15 H new ATOM 0 HB2 PHE A 425 6.142 3.904 -5.973 1.00 70.54 H new ATOM 0 HB3 PHE A 425 5.897 5.640 -5.968 1.00 70.54 H new ATOM 0 HD1 PHE A 425 5.048 2.487 -7.741 1.00 14.32 H new ATOM 0 HD2 PHE A 425 4.129 6.659 -7.373 1.00 54.33 H new ATOM 0 HE1 PHE A 425 2.964 2.157 -8.998 1.00 42.40 H new ATOM 0 HE2 PHE A 425 2.033 6.274 -8.561 1.00 43.33 H new ATOM 0 HZ PHE A 425 1.457 4.044 -9.391 1.00 72.33 H new ATOM 499 N MET A 426 9.532 6.102 -6.759 1.00 65.20 N ATOM 500 CA MET A 426 10.431 7.190 -6.296 1.00 10.30 C ATOM 501 C MET A 426 10.867 8.245 -7.375 1.00 24.34 C ATOM 502 O MET A 426 10.757 9.425 -7.084 1.00 53.32 O ATOM 503 CB MET A 426 11.749 6.632 -5.718 1.00 63.14 C ATOM 504 CG MET A 426 12.162 7.313 -4.425 1.00 32.22 C ATOM 505 SD MET A 426 13.897 7.084 -3.961 1.00 13.21 S ATOM 506 CE MET A 426 13.954 5.369 -3.450 1.00 72.14 C ATOM 0 H MET A 426 10.003 5.200 -6.826 1.00 65.20 H new ATOM 0 HA MET A 426 9.807 7.691 -5.556 1.00 10.30 H new ATOM 0 HB2 MET A 426 11.638 5.562 -5.540 1.00 63.14 H new ATOM 0 HB3 MET A 426 12.543 6.752 -6.455 1.00 63.14 H new ATOM 0 HG2 MET A 426 11.963 8.381 -4.515 1.00 32.22 H new ATOM 0 HG3 MET A 426 11.533 6.938 -3.617 1.00 32.22 H new ATOM 0 HE1 MET A 426 14.711 5.245 -2.676 1.00 72.14 H new ATOM 0 HE2 MET A 426 12.981 5.074 -3.056 1.00 72.14 H new ATOM 0 HE3 MET A 426 14.204 4.742 -4.306 1.00 72.14 H new ATOM 516 N PRO A 427 11.434 7.850 -8.600 1.00 22.24 N ATOM 517 CA PRO A 427 12.272 8.740 -9.502 1.00 51.14 C ATOM 518 C PRO A 427 11.695 10.116 -10.023 1.00 12.45 C ATOM 519 O PRO A 427 12.399 10.812 -10.759 1.00 60.10 O ATOM 520 CB PRO A 427 12.588 7.776 -10.684 1.00 15.22 C ATOM 521 CG PRO A 427 11.444 6.850 -10.669 1.00 23.43 C ATOM 522 CD PRO A 427 11.375 6.503 -9.235 1.00 1.52 C ATOM 0 HA PRO A 427 13.108 9.131 -8.922 1.00 51.14 H new ATOM 0 HB2 PRO A 427 12.663 8.310 -11.631 1.00 15.22 H new ATOM 0 HB3 PRO A 427 13.533 7.253 -10.537 1.00 15.22 H new ATOM 0 HG2 PRO A 427 10.528 7.322 -11.023 1.00 23.43 H new ATOM 0 HG3 PRO A 427 11.614 5.975 -11.296 1.00 23.43 H new ATOM 0 HD2 PRO A 427 10.457 5.972 -8.985 1.00 1.52 H new ATOM 0 HD3 PRO A 427 12.205 5.867 -8.926 1.00 1.52 H new ATOM 530 N PHE A 428 10.450 10.503 -9.680 1.00 72.53 N ATOM 531 CA PHE A 428 9.946 11.888 -9.924 1.00 12.53 C ATOM 532 C PHE A 428 9.805 12.737 -8.604 1.00 30.04 C ATOM 533 O PHE A 428 9.106 13.754 -8.610 1.00 63.51 O ATOM 534 CB PHE A 428 8.597 11.944 -10.739 1.00 2.43 C ATOM 535 CG PHE A 428 8.318 10.837 -11.769 1.00 70.03 C ATOM 536 CD1 PHE A 428 8.852 10.904 -13.058 1.00 11.31 C ATOM 537 CD2 PHE A 428 7.474 9.753 -11.473 1.00 45.52 C ATOM 538 CE1 PHE A 428 8.561 9.932 -14.005 1.00 62.31 C ATOM 539 CE2 PHE A 428 7.192 8.775 -12.428 1.00 34.14 C ATOM 540 CZ PHE A 428 7.737 8.870 -13.687 1.00 60.50 C ATOM 0 H PHE A 428 9.771 9.886 -9.235 1.00 72.53 H new ATOM 0 HA PHE A 428 10.722 12.339 -10.543 1.00 12.53 H new ATOM 0 HB2 PHE A 428 7.776 11.945 -10.022 1.00 2.43 H new ATOM 0 HB3 PHE A 428 8.565 12.900 -11.262 1.00 2.43 H new ATOM 0 HD1 PHE A 428 9.502 11.725 -13.322 1.00 11.31 H new ATOM 0 HD2 PHE A 428 7.036 9.675 -10.489 1.00 45.52 H new ATOM 0 HE1 PHE A 428 8.982 10.006 -14.997 1.00 62.31 H new ATOM 0 HE2 PHE A 428 6.547 7.945 -12.179 1.00 34.14 H new ATOM 0 HZ PHE A 428 7.521 8.114 -14.427 1.00 60.50 H new ATOM 550 N GLY A 429 10.482 12.357 -7.492 1.00 3.21 N ATOM 551 CA GLY A 429 10.615 13.239 -6.324 1.00 35.12 C ATOM 552 C GLY A 429 10.065 12.619 -4.996 1.00 3.43 C ATOM 553 O GLY A 429 9.570 11.489 -5.028 1.00 15.02 O ATOM 0 H GLY A 429 10.938 11.451 -7.387 1.00 3.21 H new ATOM 0 HA2 GLY A 429 11.667 13.490 -6.188 1.00 35.12 H new ATOM 0 HA3 GLY A 429 10.088 14.172 -6.524 1.00 35.12 H new ATOM 557 N ASN A 430 10.129 13.341 -3.820 1.00 63.52 N ATOM 558 CA ASN A 430 10.141 12.655 -2.487 1.00 13.22 C ATOM 559 C ASN A 430 8.709 12.271 -1.957 1.00 45.34 C ATOM 560 O ASN A 430 7.751 13.044 -2.088 1.00 22.32 O ATOM 561 CB ASN A 430 10.971 13.467 -1.410 1.00 54.14 C ATOM 562 CG ASN A 430 10.281 14.670 -0.777 1.00 75.43 C ATOM 563 OD1 ASN A 430 9.506 15.386 -1.412 1.00 2.11 O ATOM 564 ND2 ASN A 430 10.592 14.893 0.511 1.00 11.44 N ATOM 0 H ASN A 430 10.171 14.359 -3.774 1.00 63.52 H new ATOM 0 HA ASN A 430 10.654 11.708 -2.653 1.00 13.22 H new ATOM 0 HB2 ASN A 430 11.257 12.781 -0.613 1.00 54.14 H new ATOM 0 HB3 ASN A 430 11.892 13.812 -1.880 1.00 54.14 H new ATOM 0 HD21 ASN A 430 10.180 15.684 1.005 1.00 11.44 H new ATOM 0 HD22 ASN A 430 11.240 14.271 0.994 1.00 11.44 H new ATOM 571 N VAL A 431 8.579 11.035 -1.417 1.00 63.01 N ATOM 572 CA VAL A 431 7.309 10.487 -0.865 1.00 41.22 C ATOM 573 C VAL A 431 7.311 10.400 0.708 1.00 42.44 C ATOM 574 O VAL A 431 8.348 10.071 1.293 1.00 12.32 O ATOM 575 CB VAL A 431 6.983 9.088 -1.540 1.00 5.12 C ATOM 576 CG1 VAL A 431 8.220 8.379 -2.025 1.00 10.35 C ATOM 577 CG2 VAL A 431 6.233 8.094 -0.650 1.00 13.21 C ATOM 0 H VAL A 431 9.359 10.381 -1.350 1.00 63.01 H new ATOM 0 HA VAL A 431 6.511 11.187 -1.114 1.00 41.22 H new ATOM 0 HB VAL A 431 6.335 9.376 -2.367 1.00 5.12 H new ATOM 0 HG11 VAL A 431 7.940 7.428 -2.478 1.00 10.35 H new ATOM 0 HG12 VAL A 431 8.728 8.998 -2.765 1.00 10.35 H new ATOM 0 HG13 VAL A 431 8.889 8.197 -1.184 1.00 10.35 H new ATOM 0 HG21 VAL A 431 6.058 7.171 -1.203 1.00 13.21 H new ATOM 0 HG22 VAL A 431 6.829 7.879 0.237 1.00 13.21 H new ATOM 0 HG23 VAL A 431 5.277 8.524 -0.350 1.00 13.21 H new ATOM 587 N ILE A 432 6.151 10.685 1.391 1.00 63.14 N ATOM 588 CA ILE A 432 6.107 10.713 2.887 1.00 3.10 C ATOM 589 C ILE A 432 5.435 9.432 3.560 1.00 42.30 C ATOM 590 O ILE A 432 5.772 9.128 4.703 1.00 44.53 O ATOM 591 CB ILE A 432 5.373 11.997 3.465 1.00 13.10 C ATOM 592 CG1 ILE A 432 5.367 13.154 2.475 1.00 11.40 C ATOM 593 CG2 ILE A 432 6.082 12.527 4.698 1.00 72.35 C ATOM 594 CD1 ILE A 432 4.674 14.444 2.959 1.00 42.15 C ATOM 0 H ILE A 432 5.260 10.892 0.939 1.00 63.14 H new ATOM 0 HA ILE A 432 7.164 10.729 3.151 1.00 3.10 H new ATOM 0 HB ILE A 432 4.358 11.667 3.686 1.00 13.10 H new ATOM 0 HG12 ILE A 432 6.399 13.393 2.217 1.00 11.40 H new ATOM 0 HG13 ILE A 432 4.878 12.822 1.559 1.00 11.40 H new ATOM 0 HG21 ILE A 432 5.556 13.406 5.071 1.00 72.35 H new ATOM 0 HG22 ILE A 432 6.094 11.757 5.470 1.00 72.35 H new ATOM 0 HG23 ILE A 432 7.106 12.799 4.440 1.00 72.35 H new ATOM 0 HD11 ILE A 432 4.728 15.201 2.177 1.00 42.15 H new ATOM 0 HD12 ILE A 432 3.629 14.232 3.188 1.00 42.15 H new ATOM 0 HD13 ILE A 432 5.174 14.811 3.855 1.00 42.15 H new ATOM 606 N SER A 433 4.480 8.702 2.888 1.00 10.31 N ATOM 607 CA SER A 433 3.750 7.530 3.480 1.00 63.45 C ATOM 608 C SER A 433 3.706 6.303 2.501 1.00 65.25 C ATOM 609 O SER A 433 3.377 6.467 1.326 1.00 53.31 O ATOM 610 CB SER A 433 2.298 7.979 3.849 1.00 13.31 C ATOM 611 OG SER A 433 2.308 9.107 4.712 1.00 11.44 O ATOM 0 H SER A 433 4.199 8.910 1.930 1.00 10.31 H new ATOM 0 HA SER A 433 4.286 7.204 4.371 1.00 63.45 H new ATOM 0 HB2 SER A 433 1.748 8.220 2.939 1.00 13.31 H new ATOM 0 HB3 SER A 433 1.772 7.155 4.331 1.00 13.31 H new ATOM 0 HG SER A 433 1.439 9.557 4.672 1.00 11.44 H new ATOM 617 N ALA A 434 4.085 5.079 3.010 1.00 73.02 N ATOM 618 CA ALA A 434 3.944 3.769 2.272 1.00 72.11 C ATOM 619 C ALA A 434 3.394 2.605 3.243 1.00 35.53 C ATOM 620 O ALA A 434 4.041 2.351 4.262 1.00 25.55 O ATOM 621 CB ALA A 434 5.312 3.358 1.674 1.00 1.43 C ATOM 0 H ALA A 434 4.495 4.974 3.938 1.00 73.02 H new ATOM 0 HA ALA A 434 3.220 3.906 1.469 1.00 72.11 H new ATOM 0 HB1 ALA A 434 5.207 2.412 1.142 1.00 1.43 H new ATOM 0 HB2 ALA A 434 5.653 4.128 0.982 1.00 1.43 H new ATOM 0 HB3 ALA A 434 6.040 3.244 2.477 1.00 1.43 H new ATOM 627 N LYS A 435 2.207 1.907 2.967 1.00 25.22 N ATOM 628 CA LYS A 435 1.707 0.741 3.807 1.00 21.12 C ATOM 629 C LYS A 435 0.780 -0.213 2.939 1.00 23.55 C ATOM 630 O LYS A 435 -0.059 0.302 2.190 1.00 20.31 O ATOM 631 CB LYS A 435 1.008 1.202 5.160 1.00 14.22 C ATOM 632 CG LYS A 435 -0.360 1.886 5.144 1.00 31.02 C ATOM 633 CD LYS A 435 -1.510 0.881 5.181 1.00 14.31 C ATOM 634 CE LYS A 435 -2.891 1.539 5.225 1.00 5.13 C ATOM 635 NZ LYS A 435 -3.056 2.431 6.409 1.00 2.31 N ATOM 0 H LYS A 435 1.597 2.135 2.182 1.00 25.22 H new ATOM 0 HA LYS A 435 2.580 0.168 4.119 1.00 21.12 H new ATOM 0 HB2 LYS A 435 0.916 0.317 5.790 1.00 14.22 H new ATOM 0 HB3 LYS A 435 1.699 1.880 5.662 1.00 14.22 H new ATOM 0 HG2 LYS A 435 -0.439 2.557 6.000 1.00 31.02 H new ATOM 0 HG3 LYS A 435 -0.446 2.501 4.248 1.00 31.02 H new ATOM 0 HD2 LYS A 435 -1.450 0.239 4.303 1.00 14.31 H new ATOM 0 HD3 LYS A 435 -1.394 0.239 6.054 1.00 14.31 H new ATOM 0 HE2 LYS A 435 -3.045 2.117 4.314 1.00 5.13 H new ATOM 0 HE3 LYS A 435 -3.659 0.766 5.246 1.00 5.13 H new ATOM 0 HZ1 LYS A 435 -4.049 2.733 6.481 1.00 2.31 H new ATOM 0 HZ2 LYS A 435 -2.787 1.916 7.272 1.00 2.31 H new ATOM 0 HZ3 LYS A 435 -2.447 3.267 6.301 1.00 2.31 H new ATOM 649 N VAL A 436 0.933 -1.590 2.990 1.00 41.44 N ATOM 650 CA VAL A 436 -0.086 -2.509 2.357 1.00 12.41 C ATOM 651 C VAL A 436 -0.959 -3.152 3.498 1.00 34.23 C ATOM 652 O VAL A 436 -0.601 -4.166 4.092 1.00 44.03 O ATOM 653 CB VAL A 436 0.589 -3.634 1.375 1.00 34.21 C ATOM 654 CG1 VAL A 436 -0.312 -4.846 1.037 1.00 41.44 C ATOM 655 CG2 VAL A 436 1.057 -3.104 -0.001 1.00 22.44 C ATOM 0 H VAL A 436 1.715 -2.065 3.441 1.00 41.44 H new ATOM 0 HA VAL A 436 -0.727 -1.922 1.700 1.00 12.41 H new ATOM 0 HB VAL A 436 1.433 -3.934 1.996 1.00 34.21 H new ATOM 0 HG11 VAL A 436 0.228 -5.530 0.383 1.00 41.44 H new ATOM 0 HG12 VAL A 436 -0.585 -5.364 1.956 1.00 41.44 H new ATOM 0 HG13 VAL A 436 -1.215 -4.499 0.534 1.00 41.44 H new ATOM 0 HG21 VAL A 436 1.489 -3.922 -0.578 1.00 22.44 H new ATOM 0 HG22 VAL A 436 0.205 -2.690 -0.540 1.00 22.44 H new ATOM 0 HG23 VAL A 436 1.807 -2.327 0.144 1.00 22.44 H new ATOM 665 N PHE A 437 -2.022 -2.401 3.889 1.00 11.40 N ATOM 666 CA PHE A 437 -3.263 -2.869 4.566 1.00 41.40 C ATOM 667 C PHE A 437 -4.529 -2.533 3.750 1.00 24.30 C ATOM 668 O PHE A 437 -4.524 -1.579 2.968 1.00 61.12 O ATOM 669 CB PHE A 437 -3.466 -2.300 5.992 1.00 63.40 C ATOM 670 CG PHE A 437 -2.746 -3.032 7.110 1.00 12.14 C ATOM 671 CD1 PHE A 437 -3.256 -4.219 7.651 1.00 41.42 C ATOM 672 CD2 PHE A 437 -1.569 -2.525 7.638 1.00 64.00 C ATOM 673 CE1 PHE A 437 -2.594 -4.869 8.690 1.00 50.40 C ATOM 674 CE2 PHE A 437 -0.912 -3.173 8.670 1.00 55.21 C ATOM 675 CZ PHE A 437 -1.427 -4.341 9.193 1.00 21.21 C ATOM 0 H PHE A 437 -2.038 -1.393 3.731 1.00 11.40 H new ATOM 0 HA PHE A 437 -3.121 -3.947 4.641 1.00 41.40 H new ATOM 0 HB2 PHE A 437 -3.140 -1.260 5.996 1.00 63.40 H new ATOM 0 HB3 PHE A 437 -4.533 -2.300 6.213 1.00 63.40 H new ATOM 0 HD1 PHE A 437 -4.172 -4.635 7.258 1.00 41.42 H new ATOM 0 HD2 PHE A 437 -1.158 -1.610 7.238 1.00 64.00 H new ATOM 0 HE1 PHE A 437 -2.995 -5.784 9.099 1.00 50.40 H new ATOM 0 HE2 PHE A 437 0.005 -2.763 9.066 1.00 55.21 H new ATOM 0 HZ PHE A 437 -0.913 -4.842 10.000 1.00 21.21 H new ATOM 866 N GLY A 449 -3.356 -0.317 -2.300 1.00 72.31 N ATOM 867 CA GLY A 449 -2.487 0.439 -1.322 1.00 13.44 C ATOM 868 C GLY A 449 -2.405 1.965 -1.408 1.00 31.44 C ATOM 869 O GLY A 449 -2.988 2.594 -2.290 1.00 54.54 O ATOM 0 HA2 GLY A 449 -2.829 0.187 -0.318 1.00 13.44 H new ATOM 0 HA3 GLY A 449 -1.473 0.052 -1.420 1.00 13.44 H new ATOM 873 N PHE A 450 -1.644 2.545 -0.423 1.00 1.44 N ATOM 874 CA PHE A 450 -1.579 4.021 -0.182 1.00 3.45 C ATOM 875 C PHE A 450 -0.179 4.629 -0.616 1.00 63.14 C ATOM 876 O PHE A 450 0.835 3.964 -0.400 1.00 22.41 O ATOM 877 CB PHE A 450 -1.792 4.291 1.343 1.00 20.51 C ATOM 878 CG PHE A 450 -3.149 4.050 1.907 1.00 52.43 C ATOM 879 CD1 PHE A 450 -3.725 2.811 1.891 1.00 24.42 C ATOM 880 CD2 PHE A 450 -3.835 5.090 2.488 1.00 74.34 C ATOM 881 CE1 PHE A 450 -4.936 2.596 2.438 1.00 53.42 C ATOM 882 CE2 PHE A 450 -5.062 4.877 3.046 1.00 11.54 C ATOM 883 CZ PHE A 450 -5.621 3.630 3.013 1.00 43.23 C ATOM 0 H PHE A 450 -1.065 2.004 0.219 1.00 1.44 H new ATOM 0 HA PHE A 450 -2.356 4.497 -0.780 1.00 3.45 H new ATOM 0 HB2 PHE A 450 -1.085 3.672 1.895 1.00 20.51 H new ATOM 0 HB3 PHE A 450 -1.527 5.330 1.540 1.00 20.51 H new ATOM 0 HD1 PHE A 450 -3.198 1.988 1.431 1.00 24.42 H new ATOM 0 HD2 PHE A 450 -3.401 6.079 2.503 1.00 74.34 H new ATOM 0 HE1 PHE A 450 -5.367 1.606 2.423 1.00 53.42 H new ATOM 0 HE2 PHE A 450 -5.592 5.694 3.514 1.00 11.54 H new ATOM 0 HZ PHE A 450 -6.599 3.462 3.439 1.00 43.23 H new ATOM 893 N VAL A 451 -0.120 5.888 -1.196 1.00 54.50 N ATOM 894 CA VAL A 451 1.172 6.574 -1.567 1.00 0.04 C ATOM 895 C VAL A 451 0.891 8.120 -1.470 1.00 15.00 C ATOM 896 O VAL A 451 -0.251 8.519 -1.705 1.00 41.02 O ATOM 897 CB VAL A 451 1.785 6.335 -3.023 1.00 73.32 C ATOM 898 CG1 VAL A 451 3.319 6.298 -2.965 1.00 3.43 C ATOM 899 CG2 VAL A 451 1.284 5.143 -3.827 1.00 51.14 C ATOM 0 H VAL A 451 -0.950 6.439 -1.413 1.00 54.50 H new ATOM 0 HA VAL A 451 1.907 6.147 -0.885 1.00 0.04 H new ATOM 0 HB VAL A 451 1.410 7.197 -3.575 1.00 73.32 H new ATOM 0 HG11 VAL A 451 3.717 6.134 -3.966 1.00 3.43 H new ATOM 0 HG12 VAL A 451 3.691 7.246 -2.577 1.00 3.43 H new ATOM 0 HG13 VAL A 451 3.639 5.487 -2.310 1.00 3.43 H new ATOM 0 HG21 VAL A 451 1.792 5.115 -4.791 1.00 51.14 H new ATOM 0 HG22 VAL A 451 1.491 4.223 -3.280 1.00 51.14 H new ATOM 0 HG23 VAL A 451 0.210 5.237 -3.986 1.00 51.14 H new ATOM 909 N SER A 452 1.886 8.996 -1.152 1.00 74.42 N ATOM 910 CA SER A 452 1.643 10.454 -1.026 1.00 14.23 C ATOM 911 C SER A 452 2.918 11.267 -1.572 1.00 62.51 C ATOM 912 O SER A 452 4.023 10.736 -1.460 1.00 15.22 O ATOM 913 CB SER A 452 1.379 10.707 0.465 1.00 62.00 C ATOM 914 OG SER A 452 2.575 10.900 1.217 1.00 64.14 O ATOM 0 H SER A 452 2.852 8.717 -0.981 1.00 74.42 H new ATOM 0 HA SER A 452 0.793 10.792 -1.618 1.00 14.23 H new ATOM 0 HB2 SER A 452 0.743 11.586 0.572 1.00 62.00 H new ATOM 0 HB3 SER A 452 0.828 9.863 0.879 1.00 62.00 H new ATOM 0 HG SER A 452 2.348 11.058 2.157 1.00 64.14 H new ATOM 920 N TYR A 453 2.803 12.510 -2.180 1.00 44.24 N ATOM 921 CA TYR A 453 4.021 13.340 -2.588 1.00 53.51 C ATOM 922 C TYR A 453 3.994 14.774 -1.905 1.00 61.24 C ATOM 923 O TYR A 453 2.984 15.105 -1.284 1.00 4.05 O ATOM 924 CB TYR A 453 4.034 13.518 -4.136 1.00 3.42 C ATOM 925 CG TYR A 453 4.486 12.355 -5.019 1.00 33.42 C ATOM 926 CD1 TYR A 453 5.814 11.906 -5.140 1.00 22.13 C ATOM 927 CD2 TYR A 453 3.541 11.724 -5.777 1.00 73.35 C ATOM 928 CE1 TYR A 453 6.133 10.858 -5.999 1.00 14.32 C ATOM 929 CE2 TYR A 453 3.847 10.694 -6.631 1.00 71.44 C ATOM 930 CZ TYR A 453 5.142 10.254 -6.736 1.00 51.12 C ATOM 931 OH TYR A 453 5.450 9.230 -7.604 1.00 71.41 O ATOM 0 H TYR A 453 1.909 12.952 -2.395 1.00 44.24 H new ATOM 0 HA TYR A 453 4.916 12.813 -2.258 1.00 53.51 H new ATOM 0 HB2 TYR A 453 3.024 13.789 -4.443 1.00 3.42 H new ATOM 0 HB3 TYR A 453 4.675 14.370 -4.362 1.00 3.42 H new ATOM 0 HD1 TYR A 453 6.593 12.379 -4.561 1.00 22.13 H new ATOM 0 HD2 TYR A 453 2.514 12.048 -5.701 1.00 73.35 H new ATOM 0 HE1 TYR A 453 7.155 10.521 -6.086 1.00 14.32 H new ATOM 0 HE2 TYR A 453 3.069 10.231 -7.220 1.00 71.44 H new ATOM 0 HH TYR A 453 6.220 8.731 -7.261 1.00 71.41 H new ATOM 941 N ASP A 454 5.087 15.645 -2.019 1.00 62.43 N ATOM 942 CA ASP A 454 5.076 16.991 -1.312 1.00 11.21 C ATOM 943 C ASP A 454 4.491 18.210 -2.127 1.00 20.11 C ATOM 944 O ASP A 454 4.157 19.218 -1.498 1.00 52.01 O ATOM 945 CB ASP A 454 6.451 17.399 -0.617 1.00 21.43 C ATOM 946 CG ASP A 454 6.232 18.046 0.746 1.00 65.14 C ATOM 947 OD1 ASP A 454 6.043 17.312 1.736 1.00 32.15 O ATOM 948 OD2 ASP A 454 6.279 19.296 0.830 1.00 53.11 O ATOM 0 H ASP A 454 5.930 15.449 -2.559 1.00 62.43 H new ATOM 0 HA ASP A 454 4.353 16.784 -0.523 1.00 11.21 H new ATOM 0 HB2 ASP A 454 7.076 16.513 -0.502 1.00 21.43 H new ATOM 0 HB3 ASP A 454 6.993 18.089 -1.263 1.00 21.43 H new ATOM 953 N ASN A 455 4.311 18.174 -3.489 1.00 22.11 N ATOM 954 CA ASN A 455 3.796 19.386 -4.193 1.00 55.32 C ATOM 955 C ASN A 455 2.914 19.056 -5.440 1.00 3.24 C ATOM 956 O ASN A 455 3.296 18.171 -6.197 1.00 42.32 O ATOM 957 CB ASN A 455 4.890 20.461 -4.467 1.00 72.52 C ATOM 958 CG ASN A 455 6.099 20.083 -5.342 1.00 61.51 C ATOM 959 OD1 ASN A 455 6.662 18.891 -5.185 1.00 12.05 O flip ATOM 960 ND2 ASN A 455 6.560 20.903 -6.130 1.00 11.32 N flip ATOM 0 H ASN A 455 4.503 17.369 -4.085 1.00 22.11 H new ATOM 0 HA ASN A 455 3.115 19.856 -3.484 1.00 55.32 H new ATOM 0 HB2 ASN A 455 4.402 21.318 -4.931 1.00 72.52 H new ATOM 0 HB3 ASN A 455 5.272 20.796 -3.503 1.00 72.52 H new ATOM 0 HD21 ASN A 455 6.114 21.814 -6.237 1.00 11.32 H new ATOM 0 HD22 ASN A 455 7.389 20.674 -6.678 1.00 11.32 H new ATOM 967 N PRO A 456 1.657 19.700 -5.628 1.00 31.51 N ATOM 968 CA PRO A 456 0.676 19.333 -6.708 1.00 64.54 C ATOM 969 C PRO A 456 1.152 19.259 -8.220 1.00 40.53 C ATOM 970 O PRO A 456 0.344 18.905 -9.083 1.00 34.42 O ATOM 971 CB PRO A 456 -0.507 20.345 -6.508 1.00 1.20 C ATOM 972 CG PRO A 456 -0.059 21.345 -5.530 1.00 4.54 C ATOM 973 CD PRO A 456 0.949 20.637 -4.697 1.00 34.22 C ATOM 0 HA PRO A 456 0.428 18.280 -6.574 1.00 64.54 H new ATOM 0 HB2 PRO A 456 -0.771 20.821 -7.452 1.00 1.20 H new ATOM 0 HB3 PRO A 456 -1.399 19.830 -6.151 1.00 1.20 H new ATOM 0 HG2 PRO A 456 0.376 22.214 -6.024 1.00 4.54 H new ATOM 0 HG3 PRO A 456 -0.890 21.706 -4.924 1.00 4.54 H new ATOM 0 HD2 PRO A 456 1.647 21.341 -4.244 1.00 34.22 H new ATOM 0 HD3 PRO A 456 0.471 20.093 -3.882 1.00 34.22 H new ATOM 981 N VAL A 457 2.440 19.552 -8.542 1.00 53.51 N ATOM 982 CA VAL A 457 3.008 19.302 -9.913 1.00 32.44 C ATOM 983 C VAL A 457 3.368 17.752 -10.087 1.00 2.41 C ATOM 984 O VAL A 457 3.108 17.191 -11.159 1.00 12.01 O ATOM 985 CB VAL A 457 4.264 20.256 -10.279 1.00 44.44 C ATOM 986 CG1 VAL A 457 4.867 19.982 -11.668 1.00 61.52 C ATOM 987 CG2 VAL A 457 3.947 21.770 -10.272 1.00 33.52 C ATOM 0 H VAL A 457 3.106 19.958 -7.885 1.00 53.51 H new ATOM 0 HA VAL A 457 2.232 19.567 -10.631 1.00 32.44 H new ATOM 0 HB VAL A 457 4.963 20.005 -9.481 1.00 44.44 H new ATOM 0 HG11 VAL A 457 5.703 20.659 -11.842 1.00 61.52 H new ATOM 0 HG12 VAL A 457 5.219 18.951 -11.715 1.00 61.52 H new ATOM 0 HG13 VAL A 457 4.107 20.141 -12.433 1.00 61.52 H new ATOM 0 HG21 VAL A 457 4.846 22.331 -10.528 1.00 33.52 H new ATOM 0 HG22 VAL A 457 3.167 21.982 -11.003 1.00 33.52 H new ATOM 0 HG23 VAL A 457 3.605 22.066 -9.280 1.00 33.52 H new ATOM 997 N SER A 458 3.889 17.034 -9.019 1.00 1.15 N ATOM 998 CA SER A 458 4.310 15.585 -9.122 1.00 40.13 C ATOM 999 C SER A 458 3.144 14.526 -9.274 1.00 2.42 C ATOM 1000 O SER A 458 3.418 13.388 -9.668 1.00 42.44 O ATOM 1001 CB SER A 458 5.315 15.211 -7.988 1.00 11.44 C ATOM 1002 OG SER A 458 5.303 16.151 -6.925 1.00 73.52 O ATOM 0 H SER A 458 4.024 17.434 -8.091 1.00 1.15 H new ATOM 0 HA SER A 458 4.821 15.517 -10.083 1.00 40.13 H new ATOM 0 HB2 SER A 458 5.069 14.223 -7.599 1.00 11.44 H new ATOM 0 HB3 SER A 458 6.321 15.149 -8.403 1.00 11.44 H new ATOM 0 HG SER A 458 5.945 15.876 -6.238 1.00 73.52 H new ATOM 1008 N ALA A 459 1.855 14.881 -8.987 1.00 35.02 N ATOM 1009 CA ALA A 459 0.690 13.966 -9.252 1.00 32.35 C ATOM 1010 C ALA A 459 0.325 13.913 -10.771 1.00 55.11 C ATOM 1011 O ALA A 459 -0.154 12.884 -11.252 1.00 41.32 O ATOM 1012 CB ALA A 459 -0.551 14.288 -8.383 1.00 43.22 C ATOM 0 H ALA A 459 1.595 15.779 -8.579 1.00 35.02 H new ATOM 0 HA ALA A 459 1.021 12.971 -8.954 1.00 32.35 H new ATOM 0 HB1 ALA A 459 -1.354 13.592 -8.624 1.00 43.22 H new ATOM 0 HB2 ALA A 459 -0.292 14.192 -7.329 1.00 43.22 H new ATOM 0 HB3 ALA A 459 -0.882 15.307 -8.584 1.00 43.22 H new ATOM 1018 N GLN A 460 0.591 15.021 -11.522 1.00 74.40 N ATOM 1019 CA GLN A 460 0.335 15.116 -12.999 1.00 3.31 C ATOM 1020 C GLN A 460 1.278 14.204 -13.839 1.00 25.10 C ATOM 1021 O GLN A 460 0.799 13.562 -14.777 1.00 13.53 O ATOM 1022 CB GLN A 460 0.401 16.596 -13.517 1.00 44.34 C ATOM 1023 CG GLN A 460 -0.661 17.570 -12.926 1.00 21.14 C ATOM 1024 CD GLN A 460 -0.206 18.989 -12.920 1.00 31.41 C ATOM 1025 OE1 GLN A 460 0.701 19.393 -13.641 1.00 63.45 O ATOM 1026 NE2 GLN A 460 -0.930 19.768 -12.168 1.00 35.41 N ATOM 0 H GLN A 460 0.988 15.873 -11.126 1.00 74.40 H new ATOM 0 HA GLN A 460 -0.682 14.750 -13.141 1.00 3.31 H new ATOM 0 HB2 GLN A 460 1.392 16.993 -13.298 1.00 44.34 H new ATOM 0 HB3 GLN A 460 0.294 16.586 -14.602 1.00 44.34 H new ATOM 0 HG2 GLN A 460 -1.581 17.491 -13.505 1.00 21.14 H new ATOM 0 HG3 GLN A 460 -0.899 17.266 -11.907 1.00 21.14 H new ATOM 0 HE21 GLN A 460 -1.671 19.373 -11.589 1.00 35.41 H new ATOM 0 HE22 GLN A 460 -0.756 20.773 -12.158 1.00 35.41 H new ATOM 1035 N ALA A 461 2.601 14.121 -13.513 1.00 73.50 N ATOM 1036 CA ALA A 461 3.529 13.231 -14.283 1.00 64.14 C ATOM 1037 C ALA A 461 3.265 11.722 -14.014 1.00 22.21 C ATOM 1038 O ALA A 461 3.368 10.915 -14.945 1.00 50.03 O ATOM 1039 CB ALA A 461 5.031 13.593 -14.109 1.00 71.24 C ATOM 0 H ALA A 461 3.039 14.638 -12.751 1.00 73.50 H new ATOM 0 HA ALA A 461 3.297 13.419 -15.331 1.00 64.14 H new ATOM 0 HB1 ALA A 461 5.641 12.906 -14.695 1.00 71.24 H new ATOM 0 HB2 ALA A 461 5.201 14.613 -14.452 1.00 71.24 H new ATOM 0 HB3 ALA A 461 5.305 13.514 -13.057 1.00 71.24 H new ATOM 1045 N ALA A 462 2.905 11.335 -12.763 1.00 50.22 N ATOM 1046 CA ALA A 462 2.611 9.919 -12.459 1.00 73.05 C ATOM 1047 C ALA A 462 1.257 9.364 -12.993 1.00 65.25 C ATOM 1048 O ALA A 462 1.182 8.161 -13.186 1.00 72.44 O ATOM 1049 CB ALA A 462 2.798 9.594 -10.962 1.00 65.15 C ATOM 0 H ALA A 462 2.814 11.969 -11.969 1.00 50.22 H new ATOM 0 HA ALA A 462 3.364 9.383 -13.037 1.00 73.05 H new ATOM 0 HB1 ALA A 462 2.571 8.542 -10.787 1.00 65.15 H new ATOM 0 HB2 ALA A 462 3.829 9.796 -10.672 1.00 65.15 H new ATOM 0 HB3 ALA A 462 2.126 10.214 -10.368 1.00 65.15 H new ATOM 1055 N ILE A 463 0.195 10.180 -13.258 1.00 2.33 N ATOM 1056 CA ILE A 463 -1.052 9.625 -13.828 1.00 65.12 C ATOM 1057 C ILE A 463 -0.809 9.123 -15.295 1.00 11.33 C ATOM 1058 O ILE A 463 -1.312 8.066 -15.625 1.00 75.12 O ATOM 1059 CB ILE A 463 -2.293 10.632 -13.646 1.00 30.41 C ATOM 1060 CG1 ILE A 463 -2.716 10.670 -12.108 1.00 62.32 C ATOM 1061 CG2 ILE A 463 -3.520 10.311 -14.544 1.00 23.45 C ATOM 1062 CD1 ILE A 463 -3.814 11.649 -11.667 1.00 62.44 C ATOM 0 H ILE A 463 0.182 11.186 -13.091 1.00 2.33 H new ATOM 0 HA ILE A 463 -1.346 8.741 -13.262 1.00 65.12 H new ATOM 0 HB ILE A 463 -1.950 11.612 -13.977 1.00 30.41 H new ATOM 0 HG12 ILE A 463 -3.037 9.666 -11.829 1.00 62.32 H new ATOM 0 HG13 ILE A 463 -1.822 10.892 -11.525 1.00 62.32 H new ATOM 0 HG21 ILE A 463 -4.309 11.039 -14.356 1.00 23.45 H new ATOM 0 HG22 ILE A 463 -3.226 10.357 -15.592 1.00 23.45 H new ATOM 0 HG23 ILE A 463 -3.887 9.311 -14.314 1.00 23.45 H new ATOM 0 HD11 ILE A 463 -3.981 11.549 -10.595 1.00 62.44 H new ATOM 0 HD12 ILE A 463 -3.504 12.669 -11.892 1.00 62.44 H new ATOM 0 HD13 ILE A 463 -4.737 11.424 -12.201 1.00 62.44 H new ATOM 1074 N GLN A 464 0.055 9.800 -16.128 1.00 14.45 N ATOM 1075 CA GLN A 464 0.363 9.303 -17.519 1.00 75.13 C ATOM 1076 C GLN A 464 1.212 7.984 -17.567 1.00 10.10 C ATOM 1077 O GLN A 464 0.805 7.048 -18.255 1.00 63.12 O ATOM 1078 CB GLN A 464 1.009 10.424 -18.433 1.00 52.14 C ATOM 1079 CG GLN A 464 0.145 10.936 -19.616 1.00 43.24 C ATOM 1080 CD GLN A 464 -1.391 10.984 -19.398 1.00 4.14 C ATOM 1081 OE1 GLN A 464 -2.083 10.008 -19.678 1.00 61.15 O ATOM 1082 NE2 GLN A 464 -1.935 12.128 -18.949 1.00 13.10 N ATOM 0 H GLN A 464 0.536 10.662 -15.872 1.00 14.45 H new ATOM 0 HA GLN A 464 -0.613 9.045 -17.931 1.00 75.13 H new ATOM 0 HB2 GLN A 464 1.261 11.276 -17.801 1.00 52.14 H new ATOM 0 HB3 GLN A 464 1.945 10.038 -18.836 1.00 52.14 H new ATOM 0 HG2 GLN A 464 0.482 11.940 -19.872 1.00 43.24 H new ATOM 0 HG3 GLN A 464 0.345 10.303 -20.480 1.00 43.24 H new ATOM 0 HE21 GLN A 464 -1.337 12.923 -18.724 1.00 13.10 H new ATOM 0 HE22 GLN A 464 -2.946 12.201 -18.833 1.00 13.10 H new ATOM 1091 N ALA A 465 2.364 7.884 -16.864 1.00 41.33 N ATOM 1092 CA ALA A 465 3.224 6.643 -16.932 1.00 34.22 C ATOM 1093 C ALA A 465 2.710 5.431 -16.041 1.00 41.04 C ATOM 1094 O ALA A 465 3.290 4.343 -16.072 1.00 54.12 O ATOM 1095 CB ALA A 465 4.718 6.980 -16.658 1.00 2.25 C ATOM 0 H ALA A 465 2.726 8.617 -16.254 1.00 41.33 H new ATOM 0 HA ALA A 465 3.135 6.282 -17.957 1.00 34.22 H new ATOM 0 HB1 ALA A 465 5.313 6.068 -16.713 1.00 2.25 H new ATOM 0 HB2 ALA A 465 5.073 7.691 -17.404 1.00 2.25 H new ATOM 0 HB3 ALA A 465 4.816 7.417 -15.664 1.00 2.25 H new ATOM 1101 N MET A 466 1.610 5.641 -15.286 1.00 35.13 N ATOM 1102 CA MET A 466 1.002 4.638 -14.351 1.00 70.43 C ATOM 1103 C MET A 466 -0.462 4.261 -14.704 1.00 42.33 C ATOM 1104 O MET A 466 -0.952 3.262 -14.169 1.00 75.12 O ATOM 1105 CB MET A 466 1.077 5.067 -12.852 1.00 44.44 C ATOM 1106 CG MET A 466 2.422 4.838 -12.126 1.00 22.41 C ATOM 1107 SD MET A 466 3.840 5.734 -12.804 1.00 73.43 S ATOM 1108 CE MET A 466 5.169 5.126 -11.760 1.00 21.31 C ATOM 0 H MET A 466 1.102 6.525 -15.301 1.00 35.13 H new ATOM 0 HA MET A 466 1.621 3.752 -14.490 1.00 70.43 H new ATOM 0 HB2 MET A 466 0.834 6.128 -12.790 1.00 44.44 H new ATOM 0 HB3 MET A 466 0.301 4.530 -12.306 1.00 44.44 H new ATOM 0 HG2 MET A 466 2.303 5.121 -11.080 1.00 22.41 H new ATOM 0 HG3 MET A 466 2.647 3.772 -12.144 1.00 22.41 H new ATOM 0 HE1 MET A 466 6.108 5.591 -12.059 1.00 21.31 H new ATOM 0 HE2 MET A 466 4.957 5.374 -10.720 1.00 21.31 H new ATOM 0 HE3 MET A 466 5.249 4.044 -11.866 1.00 21.31 H new ATOM 1118 N ASN A 467 -1.198 5.004 -15.574 1.00 3.24 N ATOM 1119 CA ASN A 467 -2.447 4.435 -16.087 1.00 60.24 C ATOM 1120 C ASN A 467 -2.053 3.352 -17.171 1.00 33.01 C ATOM 1121 O ASN A 467 -1.199 3.647 -18.010 1.00 41.32 O ATOM 1122 CB ASN A 467 -3.497 5.501 -16.597 1.00 23.01 C ATOM 1123 CG ASN A 467 -3.053 6.568 -17.618 1.00 35.55 C ATOM 1124 OD1 ASN A 467 -3.559 7.690 -17.577 1.00 64.31 O ATOM 1125 ND2 ASN A 467 -2.159 6.281 -18.548 1.00 71.43 N ATOM 0 H ASN A 467 -0.960 5.937 -15.910 1.00 3.24 H new ATOM 0 HA ASN A 467 -2.991 3.964 -15.268 1.00 60.24 H new ATOM 0 HB2 ASN A 467 -4.332 4.955 -17.036 1.00 23.01 H new ATOM 0 HB3 ASN A 467 -3.883 6.025 -15.723 1.00 23.01 H new ATOM 0 HD21 ASN A 467 -1.889 6.989 -19.231 1.00 71.43 H new ATOM 0 HD22 ASN A 467 -1.739 5.352 -18.583 1.00 71.43 H new ATOM 1132 N GLY A 468 -2.592 2.097 -17.150 1.00 23.25 N ATOM 1133 CA GLY A 468 -2.165 1.076 -18.155 1.00 13.31 C ATOM 1134 C GLY A 468 -1.044 0.067 -17.784 1.00 74.33 C ATOM 1135 O GLY A 468 -0.525 -0.552 -18.711 1.00 11.12 O ATOM 0 H GLY A 468 -3.292 1.778 -16.480 1.00 23.25 H new ATOM 0 HA2 GLY A 468 -3.047 0.499 -18.431 1.00 13.31 H new ATOM 0 HA3 GLY A 468 -1.842 1.611 -19.048 1.00 13.31 H new ATOM 1139 N PHE A 469 -0.648 -0.155 -16.492 1.00 72.51 N ATOM 1140 CA PHE A 469 0.657 -0.866 -16.254 1.00 45.22 C ATOM 1141 C PHE A 469 0.473 -2.426 -16.335 1.00 63.24 C ATOM 1142 O PHE A 469 -0.188 -3.012 -15.473 1.00 33.52 O ATOM 1143 CB PHE A 469 1.338 -0.401 -14.896 1.00 22.34 C ATOM 1144 CG PHE A 469 2.856 -0.658 -14.665 1.00 53.35 C ATOM 1145 CD1 PHE A 469 3.786 -0.940 -15.689 1.00 2.50 C ATOM 1146 CD2 PHE A 469 3.362 -0.525 -13.370 1.00 65.24 C ATOM 1147 CE1 PHE A 469 5.152 -1.072 -15.400 1.00 60.24 C ATOM 1148 CE2 PHE A 469 4.716 -0.672 -13.093 1.00 2.15 C ATOM 1149 CZ PHE A 469 5.602 -0.940 -14.106 1.00 51.12 C ATOM 0 H PHE A 469 -1.164 0.121 -15.657 1.00 72.51 H new ATOM 0 HA PHE A 469 1.344 -0.585 -17.052 1.00 45.22 H new ATOM 0 HB2 PHE A 469 1.171 0.672 -14.799 1.00 22.34 H new ATOM 0 HB3 PHE A 469 0.799 -0.882 -14.080 1.00 22.34 H new ATOM 0 HD1 PHE A 469 3.442 -1.055 -16.706 1.00 2.50 H new ATOM 0 HD2 PHE A 469 2.682 -0.302 -12.561 1.00 65.24 H new ATOM 0 HE1 PHE A 469 5.853 -1.278 -16.195 1.00 60.24 H new ATOM 0 HE2 PHE A 469 5.072 -0.575 -12.078 1.00 2.15 H new ATOM 0 HZ PHE A 469 6.654 -1.048 -13.888 1.00 51.12 H new ATOM 1159 N GLN A 470 1.050 -3.092 -17.385 1.00 3.54 N ATOM 1160 CA GLN A 470 0.833 -4.538 -17.629 1.00 71.13 C ATOM 1161 C GLN A 470 2.096 -5.424 -17.245 1.00 30.51 C ATOM 1162 O GLN A 470 3.162 -5.226 -17.819 1.00 25.24 O ATOM 1163 CB GLN A 470 0.448 -4.650 -19.131 1.00 14.15 C ATOM 1164 CG GLN A 470 0.149 -6.035 -19.740 1.00 63.20 C ATOM 1165 CD GLN A 470 -0.221 -5.946 -21.217 1.00 52.45 C ATOM 1166 OE1 GLN A 470 -0.651 -4.775 -21.678 1.00 14.11 O flip ATOM 1167 NE2 GLN A 470 -0.056 -6.912 -21.955 1.00 31.02 N flip ATOM 0 H GLN A 470 1.663 -2.644 -18.066 1.00 3.54 H new ATOM 0 HA GLN A 470 0.043 -4.933 -16.990 1.00 71.13 H new ATOM 0 HB2 GLN A 470 -0.433 -4.027 -19.289 1.00 14.15 H new ATOM 0 HB3 GLN A 470 1.259 -4.208 -19.709 1.00 14.15 H new ATOM 0 HG2 GLN A 470 1.022 -6.677 -19.624 1.00 63.20 H new ATOM 0 HG3 GLN A 470 -0.667 -6.504 -19.190 1.00 63.20 H new ATOM 0 HE21 GLN A 470 0.275 -7.797 -21.571 1.00 31.02 H new ATOM 0 HE22 GLN A 470 -0.250 -6.830 -22.953 1.00 31.02 H new ATOM 1176 N ILE A 471 1.956 -6.415 -16.280 1.00 61.13 N ATOM 1177 CA ILE A 471 3.105 -7.227 -15.681 1.00 51.32 C ATOM 1178 C ILE A 471 2.534 -8.662 -15.335 1.00 11.51 C ATOM 1179 O ILE A 471 1.963 -8.810 -14.243 1.00 14.10 O ATOM 1180 CB ILE A 471 3.672 -6.587 -14.316 1.00 42.13 C ATOM 1181 CG1 ILE A 471 3.619 -5.051 -14.389 1.00 21.23 C ATOM 1182 CG2 ILE A 471 5.105 -7.033 -13.981 1.00 52.54 C ATOM 1183 CD1 ILE A 471 4.065 -4.265 -13.162 1.00 22.31 C ATOM 0 H ILE A 471 1.047 -6.674 -15.896 1.00 61.13 H new ATOM 0 HA ILE A 471 3.920 -7.250 -16.404 1.00 51.32 H new ATOM 0 HB ILE A 471 3.028 -6.954 -13.517 1.00 42.13 H new ATOM 0 HG12 ILE A 471 4.234 -4.734 -15.231 1.00 21.23 H new ATOM 0 HG13 ILE A 471 2.593 -4.762 -14.617 1.00 21.23 H new ATOM 0 HG21 ILE A 471 5.424 -6.565 -13.050 1.00 52.54 H new ATOM 0 HG22 ILE A 471 5.132 -8.117 -13.870 1.00 52.54 H new ATOM 0 HG23 ILE A 471 5.777 -6.734 -14.786 1.00 52.54 H new ATOM 0 HD11 ILE A 471 3.973 -3.197 -13.361 1.00 22.31 H new ATOM 0 HD12 ILE A 471 3.438 -4.531 -12.311 1.00 22.31 H new ATOM 0 HD13 ILE A 471 5.104 -4.503 -12.935 1.00 22.31 H new ATOM 1195 N GLY A 472 2.624 -9.709 -16.230 1.00 70.20 N ATOM 1196 CA GLY A 472 1.958 -11.009 -15.948 1.00 54.34 C ATOM 1197 C GLY A 472 0.393 -10.903 -16.039 1.00 72.02 C ATOM 1198 O GLY A 472 -0.120 -10.325 -17.003 1.00 5.02 O ATOM 0 H GLY A 472 3.132 -9.670 -17.113 1.00 70.20 H new ATOM 0 HA2 GLY A 472 2.312 -11.758 -16.656 1.00 54.34 H new ATOM 0 HA3 GLY A 472 2.240 -11.352 -14.953 1.00 54.34 H new ATOM 1202 N MET A 473 -0.364 -11.422 -15.038 1.00 60.23 N ATOM 1203 CA MET A 473 -1.889 -11.494 -15.112 1.00 62.15 C ATOM 1204 C MET A 473 -2.656 -10.419 -14.253 1.00 5.10 C ATOM 1205 O MET A 473 -3.815 -10.625 -13.892 1.00 3.42 O ATOM 1206 CB MET A 473 -2.376 -12.977 -14.844 1.00 2.30 C ATOM 1207 CG MET A 473 -2.342 -13.548 -13.403 1.00 4.14 C ATOM 1208 SD MET A 473 -3.882 -13.313 -12.493 1.00 54.13 S ATOM 1209 CE MET A 473 -3.301 -13.534 -10.819 1.00 2.02 C ATOM 0 H MET A 473 0.027 -11.797 -14.174 1.00 60.23 H new ATOM 0 HA MET A 473 -2.161 -11.218 -16.131 1.00 62.15 H new ATOM 0 HB2 MET A 473 -3.404 -13.052 -15.200 1.00 2.30 H new ATOM 0 HB3 MET A 473 -1.774 -13.636 -15.470 1.00 2.30 H new ATOM 0 HG2 MET A 473 -2.117 -14.613 -13.449 1.00 4.14 H new ATOM 0 HG3 MET A 473 -1.529 -13.074 -12.853 1.00 4.14 H new ATOM 0 HE1 MET A 473 -4.135 -13.420 -10.126 1.00 2.02 H new ATOM 0 HE2 MET A 473 -2.873 -14.531 -10.711 1.00 2.02 H new ATOM 0 HE3 MET A 473 -2.540 -12.786 -10.596 1.00 2.02 H new ATOM 1219 N LYS A 474 -2.067 -9.215 -14.046 1.00 31.33 N ATOM 1220 CA LYS A 474 -2.697 -8.148 -13.258 1.00 63.54 C ATOM 1221 C LYS A 474 -2.461 -6.807 -13.990 1.00 52.14 C ATOM 1222 O LYS A 474 -1.341 -6.561 -14.452 1.00 21.14 O ATOM 1223 CB LYS A 474 -2.128 -7.962 -11.818 1.00 54.42 C ATOM 1224 CG LYS A 474 -2.684 -8.873 -10.662 1.00 71.51 C ATOM 1225 CD LYS A 474 -3.974 -8.290 -10.056 1.00 43.42 C ATOM 1226 CE LYS A 474 -4.556 -9.056 -8.845 1.00 44.54 C ATOM 1227 NZ LYS A 474 -3.594 -9.166 -7.706 1.00 32.30 N ATOM 0 H LYS A 474 -1.151 -8.966 -14.420 1.00 31.33 H new ATOM 0 HA LYS A 474 -3.744 -8.436 -13.162 1.00 63.54 H new ATOM 0 HB2 LYS A 474 -1.049 -8.112 -11.867 1.00 54.42 H new ATOM 0 HB3 LYS A 474 -2.293 -6.924 -11.529 1.00 54.42 H new ATOM 0 HG2 LYS A 474 -2.882 -9.873 -11.048 1.00 71.51 H new ATOM 0 HG3 LYS A 474 -1.929 -8.976 -9.883 1.00 71.51 H new ATOM 0 HD2 LYS A 474 -3.777 -7.262 -9.751 1.00 43.42 H new ATOM 0 HD3 LYS A 474 -4.734 -8.251 -10.836 1.00 43.42 H new ATOM 0 HE2 LYS A 474 -5.459 -8.551 -8.503 1.00 44.54 H new ATOM 0 HE3 LYS A 474 -4.851 -10.056 -9.162 1.00 44.54 H new ATOM 0 HZ1 LYS A 474 -4.114 -9.387 -6.833 1.00 32.30 H new ATOM 0 HZ2 LYS A 474 -2.909 -9.923 -7.902 1.00 32.30 H new ATOM 0 HZ3 LYS A 474 -3.089 -8.264 -7.589 1.00 32.30 H new ATOM 1241 N ARG A 475 -3.477 -5.944 -14.125 1.00 71.20 N ATOM 1242 CA ARG A 475 -3.199 -4.552 -14.529 1.00 63.11 C ATOM 1243 C ARG A 475 -3.257 -3.563 -13.305 1.00 71.20 C ATOM 1244 O ARG A 475 -4.245 -3.590 -12.578 1.00 53.03 O ATOM 1245 CB ARG A 475 -4.192 -4.044 -15.627 1.00 1.52 C ATOM 1246 CG ARG A 475 -3.773 -2.723 -16.272 1.00 13.25 C ATOM 1247 CD ARG A 475 -3.435 -2.934 -17.764 1.00 24.04 C ATOM 1248 NE ARG A 475 -2.886 -4.278 -18.022 1.00 1.24 N ATOM 1249 CZ ARG A 475 -3.501 -5.227 -18.774 1.00 54.20 C ATOM 1250 NH1 ARG A 475 -4.646 -4.994 -19.391 1.00 52.43 N ATOM 1251 NH2 ARG A 475 -2.995 -6.451 -18.828 1.00 43.42 N ATOM 0 H ARG A 475 -4.460 -6.167 -13.969 1.00 71.20 H new ATOM 0 HA ARG A 475 -2.189 -4.563 -14.940 1.00 63.11 H new ATOM 0 HB2 ARG A 475 -4.282 -4.804 -16.403 1.00 1.52 H new ATOM 0 HB3 ARG A 475 -5.180 -3.924 -15.183 1.00 1.52 H new ATOM 0 HG2 ARG A 475 -4.576 -1.993 -16.175 1.00 13.25 H new ATOM 0 HG3 ARG A 475 -2.907 -2.315 -15.751 1.00 13.25 H new ATOM 0 HD2 ARG A 475 -4.334 -2.789 -18.363 1.00 24.04 H new ATOM 0 HD3 ARG A 475 -2.714 -2.181 -18.082 1.00 24.04 H new ATOM 0 HE ARG A 475 -1.983 -4.511 -17.608 1.00 1.24 H new ATOM 0 HH11 ARG A 475 -5.093 -4.081 -19.310 1.00 52.43 H new ATOM 0 HH12 ARG A 475 -5.083 -5.728 -19.949 1.00 52.43 H new ATOM 0 HH21 ARG A 475 -2.148 -6.676 -18.306 1.00 43.42 H new ATOM 0 HH22 ARG A 475 -3.453 -7.168 -19.391 1.00 43.42 H new ATOM 1265 N LEU A 476 -2.213 -2.703 -13.087 1.00 72.24 N ATOM 1266 CA LEU A 476 -2.333 -1.511 -12.175 1.00 44.14 C ATOM 1267 C LEU A 476 -3.427 -0.501 -12.712 1.00 13.54 C ATOM 1268 O LEU A 476 -3.396 -0.171 -13.909 1.00 45.13 O ATOM 1269 CB LEU A 476 -0.986 -0.699 -12.192 1.00 70.24 C ATOM 1270 CG LEU A 476 -0.652 0.273 -11.036 1.00 51.55 C ATOM 1271 CD1 LEU A 476 0.306 -0.334 -9.999 1.00 52.43 C ATOM 1272 CD2 LEU A 476 0.007 1.532 -11.566 1.00 55.41 C ATOM 0 H LEU A 476 -1.295 -2.807 -13.520 1.00 72.24 H new ATOM 0 HA LEU A 476 -2.587 -1.887 -11.184 1.00 44.14 H new ATOM 0 HB2 LEU A 476 -0.173 -1.422 -12.252 1.00 70.24 H new ATOM 0 HB3 LEU A 476 -0.968 -0.121 -13.116 1.00 70.24 H new ATOM 0 HG LEU A 476 -1.607 0.492 -10.558 1.00 51.55 H new ATOM 0 HD11 LEU A 476 0.502 0.396 -9.214 1.00 52.43 H new ATOM 0 HD12 LEU A 476 -0.147 -1.224 -9.562 1.00 52.43 H new ATOM 0 HD13 LEU A 476 1.243 -0.605 -10.485 1.00 52.43 H new ATOM 0 HD21 LEU A 476 0.233 2.201 -10.736 1.00 55.41 H new ATOM 0 HD22 LEU A 476 0.930 1.270 -12.083 1.00 55.41 H new ATOM 0 HD23 LEU A 476 -0.668 2.031 -12.261 1.00 55.41 H new ATOM 1284 N LYS A 477 -4.396 -0.008 -11.867 1.00 2.31 N ATOM 1285 CA LYS A 477 -5.282 1.139 -12.306 1.00 1.30 C ATOM 1286 C LYS A 477 -5.208 2.270 -11.188 1.00 1.12 C ATOM 1287 O LYS A 477 -5.541 1.987 -10.031 1.00 33.33 O ATOM 1288 CB LYS A 477 -6.765 0.670 -12.583 1.00 73.44 C ATOM 1289 CG LYS A 477 -7.710 1.504 -13.581 1.00 74.25 C ATOM 1290 CD LYS A 477 -7.776 3.043 -13.406 1.00 61.44 C ATOM 1291 CE LYS A 477 -8.735 3.715 -14.442 1.00 53.21 C ATOM 1292 NZ LYS A 477 -8.102 3.811 -15.783 1.00 65.14 N ATOM 0 H LYS A 477 -4.581 -0.361 -10.928 1.00 2.31 H new ATOM 0 HA LYS A 477 -4.925 1.539 -13.255 1.00 1.30 H new ATOM 0 HB2 LYS A 477 -6.714 -0.350 -12.965 1.00 73.44 H new ATOM 0 HB3 LYS A 477 -7.274 0.625 -11.620 1.00 73.44 H new ATOM 0 HG2 LYS A 477 -7.383 1.298 -14.600 1.00 74.25 H new ATOM 0 HG3 LYS A 477 -8.723 1.113 -13.486 1.00 74.25 H new ATOM 0 HD2 LYS A 477 -8.113 3.278 -12.396 1.00 61.44 H new ATOM 0 HD3 LYS A 477 -6.776 3.462 -13.514 1.00 61.44 H new ATOM 0 HE2 LYS A 477 -9.657 3.139 -14.514 1.00 53.21 H new ATOM 0 HE3 LYS A 477 -9.008 4.711 -14.095 1.00 53.21 H new ATOM 0 HZ1 LYS A 477 -8.763 4.261 -16.448 1.00 65.14 H new ATOM 0 HZ2 LYS A 477 -7.235 4.382 -15.718 1.00 65.14 H new ATOM 0 HZ3 LYS A 477 -7.864 2.858 -16.124 1.00 65.14 H new ATOM 1306 N VAL A 478 -4.764 3.533 -11.505 1.00 65.42 N ATOM 1307 CA VAL A 478 -4.546 4.585 -10.506 1.00 10.12 C ATOM 1308 C VAL A 478 -5.825 5.491 -10.353 1.00 51.11 C ATOM 1309 O VAL A 478 -6.293 6.036 -11.359 1.00 11.20 O ATOM 1310 CB VAL A 478 -3.239 5.425 -10.925 1.00 21.32 C ATOM 1311 CG1 VAL A 478 -3.278 6.954 -10.779 1.00 2.43 C ATOM 1312 CG2 VAL A 478 -2.001 4.954 -10.198 1.00 45.03 C ATOM 0 H VAL A 478 -4.555 3.826 -12.459 1.00 65.42 H new ATOM 0 HA VAL A 478 -4.373 4.143 -9.525 1.00 10.12 H new ATOM 0 HB VAL A 478 -3.216 5.219 -11.995 1.00 21.32 H new ATOM 0 HG11 VAL A 478 -2.325 7.375 -11.101 1.00 2.43 H new ATOM 0 HG12 VAL A 478 -4.080 7.358 -11.396 1.00 2.43 H new ATOM 0 HG13 VAL A 478 -3.456 7.215 -9.736 1.00 2.43 H new ATOM 0 HG21 VAL A 478 -1.145 5.550 -10.513 1.00 45.03 H new ATOM 0 HG22 VAL A 478 -2.145 5.066 -9.123 1.00 45.03 H new ATOM 0 HG23 VAL A 478 -1.819 3.905 -10.432 1.00 45.03 H new ATOM 1322 N GLN A 479 -6.458 5.580 -9.137 1.00 13.12 N ATOM 1323 CA GLN A 479 -7.521 6.564 -8.880 1.00 13.34 C ATOM 1324 C GLN A 479 -7.092 7.683 -7.842 1.00 3.21 C ATOM 1325 O GLN A 479 -6.118 7.495 -7.107 1.00 73.22 O ATOM 1326 CB GLN A 479 -8.824 5.821 -8.414 1.00 71.31 C ATOM 1327 CG GLN A 479 -8.604 4.512 -7.586 1.00 74.11 C ATOM 1328 CD GLN A 479 -9.664 4.347 -6.510 1.00 60.35 C ATOM 1329 OE1 GLN A 479 -9.516 4.889 -5.420 1.00 31.43 O ATOM 1330 NE2 GLN A 479 -10.667 3.496 -6.743 1.00 22.04 N ATOM 0 H GLN A 479 -6.241 4.982 -8.340 1.00 13.12 H new ATOM 0 HA GLN A 479 -7.718 7.089 -9.815 1.00 13.34 H new ATOM 0 HB2 GLN A 479 -9.418 6.511 -7.815 1.00 71.31 H new ATOM 0 HB3 GLN A 479 -9.414 5.575 -9.297 1.00 71.31 H new ATOM 0 HG2 GLN A 479 -8.625 3.651 -8.254 1.00 74.11 H new ATOM 0 HG3 GLN A 479 -7.617 4.534 -7.125 1.00 74.11 H new ATOM 0 HE21 GLN A 479 -10.764 3.061 -7.660 1.00 22.04 H new ATOM 0 HE22 GLN A 479 -11.336 3.281 -6.004 1.00 22.04 H new