USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 546 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 433 SER OG : rot 140:sc= -0.102 USER MOD Set 1.2: A 452 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 419 GLN : amide:sc= -1.33 K(o=-3.1,f=-0.27) USER MOD Set 2.2: A 423 GLN : amide:sc= -1.77 K(o=-3.1,f=-0.27) USER MOD Single : A 398 GLN : amide:sc= -0.663 K(o=-0.66,f=-1.2) USER MOD Single : A 399 LYS NZ :NH3+ -163:sc= -0.0254 (180deg=-0.533) USER MOD Single : A 406 ASN : amide:sc= 0.435 X(o=0.43,f=0.19) 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=-0.037) USER MOD Single : A 414 GLN : amide:sc= -1.66 K(o=-1.7,f=-3.7!) USER MOD Single : A 424 MET CE :methyl -164:sc= 0 (180deg=-0.367) USER MOD Single : A 426 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 430 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 435 LYS NZ :NH3+ -177:sc= -0.0111 (180deg=-0.0317) USER MOD Single : A 453 TYR OH : rot 27:sc= 0.761 USER MOD Single : A 455 ASN : amide:sc= -1.22 K(o=-1.2,f=0) USER MOD Single : A 458 SER OG : rot 180:sc= 0.0167 USER MOD Single : A 460 GLN : amide:sc= -0.943 K(o=-0.94,f=-3.7!) USER MOD Single : A 464 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 466 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 467 ASN : amide:sc= 0.585 K(o=0.59,f=-0.15) USER MOD Single : A 470 GLN : amide:sc= -1.25 K(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+ 159:sc= 0.137 (180deg=0.0142) USER MOD Single : A 477 LYS NZ :NH3+ -108:sc= 0.312 (180deg=0) USER MOD Single : A 479 GLN : amide:sc= -0.757 K(o=-0.76,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 56 N GLN A 398 0.658 6.768 7.564 1.00 14.25 N ATOM 57 CA GLN A 398 -0.124 7.496 6.544 1.00 34.33 C ATOM 58 C GLN A 398 -0.576 8.904 7.042 1.00 41.21 C ATOM 59 O GLN A 398 -1.456 9.036 7.891 1.00 44.31 O ATOM 60 CB GLN A 398 -1.314 6.597 6.044 1.00 54.33 C ATOM 61 CG GLN A 398 -2.487 7.274 5.265 1.00 5.40 C ATOM 62 CD GLN A 398 -2.107 7.936 3.938 1.00 72.45 C ATOM 63 OE1 GLN A 398 -1.567 9.035 3.912 1.00 74.02 O ATOM 64 NE2 GLN A 398 -2.523 7.332 2.832 1.00 1.13 N ATOM 0 HA GLN A 398 0.517 7.697 5.686 1.00 34.33 H new ATOM 0 HB2 GLN A 398 -0.896 5.821 5.403 1.00 54.33 H new ATOM 0 HB3 GLN A 398 -1.740 6.097 6.914 1.00 54.33 H new ATOM 0 HG2 GLN A 398 -3.251 6.522 5.069 1.00 5.40 H new ATOM 0 HG3 GLN A 398 -2.940 8.028 5.909 1.00 5.40 H new ATOM 0 HE21 GLN A 398 -2.969 6.416 2.888 1.00 1.13 H new ATOM 0 HE22 GLN A 398 -2.397 7.783 1.926 1.00 1.13 H new ATOM 73 N LYS A 399 0.114 9.936 6.524 1.00 44.33 N ATOM 74 CA LYS A 399 -0.152 11.339 6.755 1.00 32.15 C ATOM 75 C LYS A 399 0.222 12.149 5.489 1.00 35.24 C ATOM 76 O LYS A 399 1.394 12.361 5.188 1.00 0.43 O ATOM 77 CB LYS A 399 0.550 11.845 8.053 1.00 54.11 C ATOM 78 CG LYS A 399 1.907 11.215 8.417 1.00 60.53 C ATOM 79 CD LYS A 399 3.047 11.833 7.649 1.00 62.42 C ATOM 80 CE LYS A 399 4.386 11.103 7.883 1.00 71.33 C ATOM 81 NZ LYS A 399 5.535 12.058 7.915 1.00 63.42 N ATOM 0 H LYS A 399 0.910 9.790 5.903 1.00 44.33 H new ATOM 0 HA LYS A 399 -1.217 11.488 6.932 1.00 32.15 H new ATOM 0 HB2 LYS A 399 0.693 12.922 7.961 1.00 54.11 H new ATOM 0 HB3 LYS A 399 -0.131 11.684 8.889 1.00 54.11 H new ATOM 0 HG2 LYS A 399 2.085 11.333 9.486 1.00 60.53 H new ATOM 0 HG3 LYS A 399 1.874 10.144 8.216 1.00 60.53 H new ATOM 0 HD2 LYS A 399 2.812 11.821 6.585 1.00 62.42 H new ATOM 0 HD3 LYS A 399 3.152 12.878 7.940 1.00 62.42 H new ATOM 0 HE2 LYS A 399 4.342 10.554 8.824 1.00 71.33 H new ATOM 0 HE3 LYS A 399 4.544 10.369 7.093 1.00 71.33 H new ATOM 0 HZ1 LYS A 399 6.425 11.535 7.784 1.00 63.42 H new ATOM 0 HZ2 LYS A 399 5.428 12.756 7.151 1.00 63.42 H new ATOM 0 HZ3 LYS A 399 5.553 12.548 8.832 1.00 63.42 H new ATOM 95 N GLU A 400 -0.789 12.501 4.693 1.00 21.43 N ATOM 96 CA GLU A 400 -0.605 13.452 3.567 1.00 10.11 C ATOM 97 C GLU A 400 -0.291 14.894 4.100 1.00 51.24 C ATOM 98 O GLU A 400 -0.478 15.179 5.295 1.00 52.24 O ATOM 99 CB GLU A 400 -1.774 13.550 2.539 1.00 51.03 C ATOM 100 CG GLU A 400 -2.998 14.284 3.049 1.00 70.33 C ATOM 101 CD GLU A 400 -3.824 14.889 1.937 1.00 14.11 C ATOM 102 OE1 GLU A 400 -3.362 15.863 1.309 1.00 44.12 O ATOM 103 OE2 GLU A 400 -4.948 14.390 1.703 1.00 31.13 O ATOM 0 H GLU A 400 -1.742 12.151 4.796 1.00 21.43 H new ATOM 0 HA GLU A 400 0.235 13.026 3.019 1.00 10.11 H new ATOM 0 HB2 GLU A 400 -1.412 14.053 1.642 1.00 51.03 H new ATOM 0 HB3 GLU A 400 -2.067 12.543 2.243 1.00 51.03 H new ATOM 0 HG2 GLU A 400 -3.618 13.594 3.621 1.00 70.33 H new ATOM 0 HG3 GLU A 400 -2.684 15.073 3.733 1.00 70.33 H new ATOM 110 N GLY A 401 0.189 15.794 3.219 1.00 43.02 N ATOM 111 CA GLY A 401 0.688 17.105 3.659 1.00 3.42 C ATOM 112 C GLY A 401 -0.237 18.254 3.239 1.00 73.41 C ATOM 113 O GLY A 401 -1.180 18.538 3.987 1.00 73.34 O ATOM 0 H GLY A 401 0.240 15.637 2.212 1.00 43.02 H new ATOM 0 HA2 GLY A 401 0.793 17.105 4.744 1.00 3.42 H new ATOM 0 HA3 GLY A 401 1.681 17.271 3.242 1.00 3.42 H new ATOM 117 N PRO A 402 -0.033 18.973 2.079 1.00 4.04 N ATOM 118 CA PRO A 402 -0.931 20.076 1.722 1.00 60.41 C ATOM 119 C PRO A 402 -2.116 19.648 0.837 1.00 20.23 C ATOM 120 O PRO A 402 -2.090 18.570 0.236 1.00 60.04 O ATOM 121 CB PRO A 402 0.029 21.017 0.985 1.00 31.34 C ATOM 122 CG PRO A 402 0.929 20.113 0.222 1.00 13.20 C ATOM 123 CD PRO A 402 1.046 18.831 1.037 1.00 53.14 C ATOM 0 HA PRO A 402 -1.429 20.518 2.585 1.00 60.41 H new ATOM 0 HB2 PRO A 402 -0.510 21.692 0.321 1.00 31.34 H new ATOM 0 HB3 PRO A 402 0.590 21.638 1.684 1.00 31.34 H new ATOM 0 HG2 PRO A 402 0.523 19.907 -0.769 1.00 13.20 H new ATOM 0 HG3 PRO A 402 1.907 20.571 0.077 1.00 13.20 H new ATOM 0 HD2 PRO A 402 0.892 17.947 0.418 1.00 53.14 H new ATOM 0 HD3 PRO A 402 2.032 18.734 1.492 1.00 53.14 H new ATOM 131 N GLU A 403 -3.186 20.486 0.859 1.00 14.43 N ATOM 132 CA GLU A 403 -4.276 20.453 -0.117 1.00 25.32 C ATOM 133 C GLU A 403 -3.684 20.290 -1.554 1.00 32.12 C ATOM 134 O GLU A 403 -2.895 21.130 -2.023 1.00 35.25 O ATOM 135 CB GLU A 403 -5.174 21.746 0.066 1.00 42.41 C ATOM 136 CG GLU A 403 -4.699 23.094 -0.547 1.00 74.14 C ATOM 137 CD GLU A 403 -5.679 23.632 -1.569 1.00 31.31 C ATOM 138 OE1 GLU A 403 -6.726 24.185 -1.161 1.00 64.23 O ATOM 139 OE2 GLU A 403 -5.399 23.520 -2.778 1.00 53.12 O ATOM 0 H GLU A 403 -3.305 21.208 1.570 1.00 14.43 H new ATOM 0 HA GLU A 403 -4.928 19.594 0.044 1.00 25.32 H new ATOM 0 HB2 GLU A 403 -6.156 21.524 -0.351 1.00 42.41 H new ATOM 0 HB3 GLU A 403 -5.310 21.902 1.136 1.00 42.41 H new ATOM 0 HG2 GLU A 403 -4.567 23.827 0.249 1.00 74.14 H new ATOM 0 HG3 GLU A 403 -3.725 22.955 -1.017 1.00 74.14 H new ATOM 146 N GLY A 404 -3.961 19.140 -2.182 1.00 53.35 N ATOM 147 CA GLY A 404 -3.484 18.887 -3.510 1.00 71.00 C ATOM 148 C GLY A 404 -3.046 17.432 -3.789 1.00 64.20 C ATOM 149 O GLY A 404 -3.666 16.757 -4.618 1.00 64.50 O ATOM 0 H GLY A 404 -4.513 18.384 -1.777 1.00 53.35 H new ATOM 0 HA2 GLY A 404 -4.269 19.154 -4.217 1.00 71.00 H new ATOM 0 HA3 GLY A 404 -2.639 19.547 -3.707 1.00 71.00 H new ATOM 153 N ALA A 405 -1.980 16.945 -3.112 1.00 32.52 N ATOM 154 CA ALA A 405 -1.347 15.673 -3.491 1.00 75.41 C ATOM 155 C ALA A 405 -1.938 14.465 -2.689 1.00 73.10 C ATOM 156 O ALA A 405 -1.716 14.363 -1.479 1.00 54.14 O ATOM 157 CB ALA A 405 0.128 15.829 -3.123 1.00 42.44 C ATOM 0 H ALA A 405 -1.550 17.410 -2.313 1.00 32.52 H new ATOM 0 HA ALA A 405 -1.512 15.468 -4.549 1.00 75.41 H new ATOM 0 HB1 ALA A 405 0.665 14.916 -3.378 1.00 42.44 H new ATOM 0 HB2 ALA A 405 0.554 16.667 -3.675 1.00 42.44 H new ATOM 0 HB3 ALA A 405 0.218 16.016 -2.053 1.00 42.44 H new ATOM 163 N ASN A 406 -2.669 13.541 -3.380 1.00 3.03 N ATOM 164 CA ASN A 406 -3.061 12.161 -2.835 1.00 61.42 C ATOM 165 C ASN A 406 -3.395 11.119 -3.981 1.00 40.21 C ATOM 166 O ASN A 406 -4.364 11.305 -4.717 1.00 5.02 O ATOM 167 CB ASN A 406 -4.237 12.390 -1.791 1.00 52.42 C ATOM 168 CG ASN A 406 -5.211 13.500 -2.206 1.00 51.22 C ATOM 169 OD1 ASN A 406 -5.543 13.666 -3.389 1.00 71.21 O ATOM 170 ND2 ASN A 406 -5.701 14.267 -1.231 1.00 70.05 N ATOM 0 H ASN A 406 -3.011 13.709 -4.326 1.00 3.03 H new ATOM 0 HA ASN A 406 -2.219 11.694 -2.325 1.00 61.42 H new ATOM 0 HB2 ASN A 406 -4.790 11.459 -1.667 1.00 52.42 H new ATOM 0 HB3 ASN A 406 -3.808 12.637 -0.820 1.00 52.42 H new ATOM 0 HD21 ASN A 406 -6.364 15.010 -1.451 1.00 70.05 H new ATOM 0 HD22 ASN A 406 -5.412 14.111 -0.265 1.00 70.05 H new ATOM 177 N LEU A 407 -2.592 9.999 -4.137 1.00 14.23 N ATOM 178 CA LEU A 407 -2.794 9.004 -5.231 1.00 33.33 C ATOM 179 C LEU A 407 -2.991 7.527 -4.665 1.00 75.32 C ATOM 180 O LEU A 407 -2.035 7.022 -4.060 1.00 42.23 O ATOM 181 CB LEU A 407 -1.487 9.010 -6.062 1.00 24.00 C ATOM 182 CG LEU A 407 -1.191 10.169 -7.028 1.00 1.43 C ATOM 183 CD1 LEU A 407 -2.439 10.769 -7.677 1.00 10.13 C ATOM 184 CD2 LEU A 407 -0.344 11.253 -6.396 1.00 3.24 C ATOM 0 H LEU A 407 -1.812 9.778 -3.518 1.00 14.23 H new ATOM 0 HA LEU A 407 -3.682 9.270 -5.804 1.00 33.33 H new ATOM 0 HB2 LEU A 407 -0.656 8.955 -5.358 1.00 24.00 H new ATOM 0 HB3 LEU A 407 -1.471 8.090 -6.646 1.00 24.00 H new ATOM 0 HG LEU A 407 -0.611 9.711 -7.830 1.00 1.43 H new ATOM 0 HD11 LEU A 407 -2.148 11.580 -8.344 1.00 10.13 H new ATOM 0 HD12 LEU A 407 -2.959 9.999 -8.247 1.00 10.13 H new ATOM 0 HD13 LEU A 407 -3.101 11.156 -6.903 1.00 10.13 H new ATOM 0 HD21 LEU A 407 -0.166 12.046 -7.123 1.00 3.24 H new ATOM 0 HD22 LEU A 407 -0.865 11.664 -5.531 1.00 3.24 H new ATOM 0 HD23 LEU A 407 0.610 10.831 -6.079 1.00 3.24 H new ATOM 196 N PHE A 408 -4.174 6.797 -4.829 1.00 44.30 N ATOM 197 CA PHE A 408 -4.251 5.350 -4.347 1.00 63.54 C ATOM 198 C PHE A 408 -4.467 4.326 -5.506 1.00 11.45 C ATOM 199 O PHE A 408 -4.858 4.698 -6.609 1.00 55.03 O ATOM 200 CB PHE A 408 -5.250 5.054 -3.166 1.00 71.01 C ATOM 201 CG PHE A 408 -5.056 5.878 -1.901 1.00 33.01 C ATOM 202 CD1 PHE A 408 -3.816 6.376 -1.516 1.00 24.21 C ATOM 203 CD2 PHE A 408 -6.143 6.179 -1.110 1.00 23.04 C ATOM 204 CE1 PHE A 408 -3.676 7.164 -0.395 1.00 13.04 C ATOM 205 CE2 PHE A 408 -6.006 6.951 0.022 1.00 71.43 C ATOM 206 CZ PHE A 408 -4.773 7.445 0.378 1.00 20.34 C ATOM 0 H PHE A 408 -5.026 7.157 -5.259 1.00 44.30 H new ATOM 0 HA PHE A 408 -3.257 5.207 -3.923 1.00 63.54 H new ATOM 0 HB2 PHE A 408 -6.266 5.215 -3.528 1.00 71.01 H new ATOM 0 HB3 PHE A 408 -5.168 3.999 -2.904 1.00 71.01 H new ATOM 0 HD1 PHE A 408 -2.944 6.140 -2.108 1.00 24.21 H new ATOM 0 HD2 PHE A 408 -7.118 5.803 -1.382 1.00 23.04 H new ATOM 0 HE1 PHE A 408 -2.707 7.558 -0.126 1.00 13.04 H new ATOM 0 HE2 PHE A 408 -6.870 7.169 0.632 1.00 71.43 H new ATOM 0 HZ PHE A 408 -4.669 8.053 1.265 1.00 20.34 H new ATOM 216 N ILE A 409 -4.197 3.019 -5.225 1.00 32.41 N ATOM 217 CA ILE A 409 -3.942 1.963 -6.308 1.00 5.32 C ATOM 218 C ILE A 409 -5.119 0.902 -6.248 1.00 62.02 C ATOM 219 O ILE A 409 -5.248 0.236 -5.223 1.00 30.42 O ATOM 220 CB ILE A 409 -2.504 1.186 -6.189 1.00 15.23 C ATOM 221 CG1 ILE A 409 -1.217 2.085 -6.424 1.00 21.24 C ATOM 222 CG2 ILE A 409 -2.375 -0.007 -7.209 1.00 20.03 C ATOM 223 CD1 ILE A 409 -1.093 3.485 -5.805 1.00 21.43 C ATOM 0 H ILE A 409 -4.146 2.652 -4.275 1.00 32.41 H new ATOM 0 HA ILE A 409 -3.906 2.493 -7.260 1.00 5.32 H new ATOM 0 HB ILE A 409 -2.522 0.848 -5.153 1.00 15.23 H new ATOM 0 HG12 ILE A 409 -0.360 1.508 -6.077 1.00 21.24 H new ATOM 0 HG13 ILE A 409 -1.106 2.204 -7.502 1.00 21.24 H new ATOM 0 HG21 ILE A 409 -1.404 -0.487 -7.087 1.00 20.03 H new ATOM 0 HG22 ILE A 409 -3.165 -0.734 -7.020 1.00 20.03 H new ATOM 0 HG23 ILE A 409 -2.467 0.373 -8.227 1.00 20.03 H new ATOM 0 HD11 ILE A 409 -0.138 3.926 -6.090 1.00 21.43 H new ATOM 0 HD12 ILE A 409 -1.906 4.116 -6.166 1.00 21.43 H new ATOM 0 HD13 ILE A 409 -1.148 3.409 -4.719 1.00 21.43 H new ATOM 235 N TYR A 410 -5.996 0.743 -7.308 1.00 43.33 N ATOM 236 CA TYR A 410 -6.903 -0.437 -7.395 1.00 33.32 C ATOM 237 C TYR A 410 -6.204 -1.482 -8.302 1.00 30.01 C ATOM 238 O TYR A 410 -5.543 -1.069 -9.262 1.00 75.25 O ATOM 239 CB TYR A 410 -8.299 -0.065 -8.036 1.00 21.41 C ATOM 240 CG TYR A 410 -9.419 0.600 -7.212 1.00 3.44 C ATOM 241 CD1 TYR A 410 -9.230 1.372 -6.064 1.00 32.34 C ATOM 242 CD2 TYR A 410 -10.733 0.435 -7.653 1.00 14.41 C ATOM 243 CE1 TYR A 410 -10.300 1.935 -5.407 1.00 11.13 C ATOM 244 CE2 TYR A 410 -11.790 1.009 -6.990 1.00 42.15 C ATOM 245 CZ TYR A 410 -11.572 1.754 -5.870 1.00 54.32 C ATOM 246 OH TYR A 410 -12.638 2.323 -5.205 1.00 25.34 O ATOM 0 H TYR A 410 -6.082 1.401 -8.082 1.00 43.33 H new ATOM 0 HA TYR A 410 -7.093 -0.817 -6.391 1.00 33.32 H new ATOM 0 HB2 TYR A 410 -8.093 0.595 -8.879 1.00 21.41 H new ATOM 0 HB3 TYR A 410 -8.713 -0.986 -8.446 1.00 21.41 H new ATOM 0 HD1 TYR A 410 -8.230 1.529 -5.687 1.00 32.34 H new ATOM 0 HD2 TYR A 410 -10.923 -0.158 -8.536 1.00 14.41 H new ATOM 0 HE1 TYR A 410 -10.133 2.525 -4.518 1.00 11.13 H new ATOM 0 HE2 TYR A 410 -12.796 0.870 -7.357 1.00 42.15 H new ATOM 0 HH TYR A 410 -13.471 2.096 -5.668 1.00 25.34 H new ATOM 256 N HIS A 411 -6.357 -2.817 -7.978 1.00 43.13 N ATOM 257 CA HIS A 411 -5.688 -3.952 -8.700 1.00 11.31 C ATOM 258 C HIS A 411 -4.139 -3.976 -8.574 1.00 60.21 C ATOM 259 O HIS A 411 -3.418 -3.810 -9.563 1.00 74.43 O ATOM 260 CB HIS A 411 -6.046 -3.994 -10.168 1.00 32.55 C ATOM 261 CG HIS A 411 -7.483 -4.247 -10.506 1.00 75.34 C ATOM 262 ND1 HIS A 411 -8.395 -4.821 -9.642 1.00 62.15 N ATOM 263 CD2 HIS A 411 -8.177 -3.932 -11.621 1.00 73.23 C ATOM 264 CE1 HIS A 411 -9.583 -4.856 -10.223 1.00 53.13 C ATOM 265 NE2 HIS A 411 -9.478 -4.320 -11.420 1.00 5.03 N ATOM 0 H HIS A 411 -6.949 -3.128 -7.208 1.00 43.13 H new ATOM 0 HA HIS A 411 -6.078 -4.835 -8.193 1.00 11.31 H new ATOM 0 HB2 HIS A 411 -5.754 -3.044 -10.616 1.00 32.55 H new ATOM 0 HB3 HIS A 411 -5.444 -4.769 -10.642 1.00 32.55 H new ATOM 0 HD2 HIS A 411 -7.781 -3.461 -12.508 1.00 73.23 H new ATOM 0 HE1 HIS A 411 -10.487 -5.257 -9.788 1.00 53.13 H new ATOM 0 HE2 HIS A 411 -10.240 -4.211 -12.090 1.00 5.03 H new ATOM 274 N LEU A 412 -3.653 -4.114 -7.351 1.00 1.14 N ATOM 275 CA LEU A 412 -2.232 -4.266 -7.043 1.00 11.54 C ATOM 276 C LEU A 412 -1.676 -5.585 -7.647 1.00 50.44 C ATOM 277 O LEU A 412 -2.241 -6.663 -7.374 1.00 42.50 O ATOM 278 CB LEU A 412 -1.970 -4.203 -5.490 1.00 30.41 C ATOM 279 CG LEU A 412 -0.560 -4.659 -5.005 1.00 21.15 C ATOM 280 CD1 LEU A 412 0.129 -3.636 -4.108 1.00 43.43 C ATOM 281 CD2 LEU A 412 -0.593 -6.004 -4.254 1.00 74.41 C ATOM 0 H LEU A 412 -4.247 -4.124 -6.522 1.00 1.14 H new ATOM 0 HA LEU A 412 -1.701 -3.431 -7.500 1.00 11.54 H new ATOM 0 HB2 LEU A 412 -2.130 -3.177 -5.158 1.00 30.41 H new ATOM 0 HB3 LEU A 412 -2.718 -4.820 -4.992 1.00 30.41 H new ATOM 0 HG LEU A 412 0.011 -4.768 -5.927 1.00 21.15 H new ATOM 0 HD11 LEU A 412 1.105 -4.016 -3.806 1.00 43.43 H new ATOM 0 HD12 LEU A 412 0.256 -2.701 -4.654 1.00 43.43 H new ATOM 0 HD13 LEU A 412 -0.481 -3.459 -3.222 1.00 43.43 H new ATOM 0 HD21 LEU A 412 0.416 -6.271 -3.941 1.00 74.41 H new ATOM 0 HD22 LEU A 412 -1.234 -5.915 -3.377 1.00 74.41 H new ATOM 0 HD23 LEU A 412 -0.985 -6.779 -4.913 1.00 74.41 H new ATOM 293 N PRO A 413 -0.614 -5.548 -8.516 1.00 33.25 N ATOM 294 CA PRO A 413 0.035 -6.767 -9.027 1.00 75.55 C ATOM 295 C PRO A 413 0.912 -7.590 -8.043 1.00 73.12 C ATOM 296 O PRO A 413 1.061 -7.259 -6.872 1.00 22.42 O ATOM 297 CB PRO A 413 0.749 -6.342 -10.268 1.00 74.21 C ATOM 298 CG PRO A 413 1.044 -4.921 -10.110 1.00 41.23 C ATOM 299 CD PRO A 413 0.023 -4.336 -9.165 1.00 22.23 C ATOM 0 HA PRO A 413 -0.736 -7.514 -9.218 1.00 75.55 H new ATOM 0 HB2 PRO A 413 1.666 -6.916 -10.404 1.00 74.21 H new ATOM 0 HB3 PRO A 413 0.131 -6.514 -11.149 1.00 74.21 H new ATOM 0 HG2 PRO A 413 2.051 -4.782 -9.717 1.00 41.23 H new ATOM 0 HG3 PRO A 413 1.006 -4.414 -11.074 1.00 41.23 H new ATOM 0 HD2 PRO A 413 0.490 -3.687 -8.425 1.00 22.23 H new ATOM 0 HD3 PRO A 413 -0.714 -3.734 -9.697 1.00 22.23 H new ATOM 307 N GLN A 414 1.503 -8.654 -8.617 1.00 52.54 N ATOM 308 CA GLN A 414 1.768 -9.987 -8.055 1.00 21.03 C ATOM 309 C GLN A 414 2.051 -10.202 -6.512 1.00 71.41 C ATOM 310 O GLN A 414 1.206 -10.834 -5.887 1.00 45.10 O ATOM 311 CB GLN A 414 3.016 -10.434 -8.888 1.00 71.40 C ATOM 312 CG GLN A 414 4.030 -9.312 -9.298 1.00 1.52 C ATOM 313 CD GLN A 414 5.177 -9.144 -8.328 1.00 32.33 C ATOM 314 OE1 GLN A 414 5.583 -10.092 -7.687 1.00 11.51 O ATOM 315 NE2 GLN A 414 5.693 -7.930 -8.221 1.00 15.13 N ATOM 0 H GLN A 414 1.838 -8.594 -9.578 1.00 52.54 H new ATOM 0 HA GLN A 414 0.839 -10.553 -8.125 1.00 21.03 H new ATOM 0 HB2 GLN A 414 3.556 -11.187 -8.314 1.00 71.40 H new ATOM 0 HB3 GLN A 414 2.662 -10.920 -9.797 1.00 71.40 H new ATOM 0 HG2 GLN A 414 4.431 -9.541 -10.285 1.00 1.52 H new ATOM 0 HG3 GLN A 414 3.496 -8.366 -9.383 1.00 1.52 H new ATOM 0 HE21 GLN A 414 5.317 -7.165 -8.781 1.00 15.13 H new ATOM 0 HE22 GLN A 414 6.466 -7.759 -7.578 1.00 15.13 H new ATOM 324 N GLU A 415 3.135 -9.747 -5.861 1.00 0.10 N ATOM 325 CA GLU A 415 3.169 -9.715 -4.369 1.00 60.14 C ATOM 326 C GLU A 415 3.371 -8.299 -3.791 1.00 32.23 C ATOM 327 O GLU A 415 3.604 -8.197 -2.586 1.00 71.42 O ATOM 328 CB GLU A 415 4.164 -10.797 -3.771 1.00 12.11 C ATOM 329 CG GLU A 415 5.588 -10.353 -3.414 1.00 11.33 C ATOM 330 CD GLU A 415 6.472 -10.045 -4.599 1.00 34.45 C ATOM 331 OE1 GLU A 415 6.475 -8.876 -5.046 1.00 64.21 O ATOM 332 OE2 GLU A 415 7.193 -10.954 -5.054 1.00 14.31 O ATOM 0 H GLU A 415 3.980 -9.404 -6.317 1.00 0.10 H new ATOM 0 HA GLU A 415 2.174 -10.006 -4.033 1.00 60.14 H new ATOM 0 HB2 GLU A 415 3.707 -11.207 -2.870 1.00 12.11 H new ATOM 0 HB3 GLU A 415 4.240 -11.613 -4.490 1.00 12.11 H new ATOM 0 HG2 GLU A 415 5.529 -9.467 -2.782 1.00 11.33 H new ATOM 0 HG3 GLU A 415 6.060 -11.136 -2.821 1.00 11.33 H new ATOM 339 N PHE A 416 3.112 -7.223 -4.591 1.00 2.54 N ATOM 340 CA PHE A 416 3.879 -5.929 -4.469 1.00 34.13 C ATOM 341 C PHE A 416 3.841 -5.378 -3.004 1.00 42.14 C ATOM 342 O PHE A 416 2.816 -4.852 -2.567 1.00 74.23 O ATOM 343 CB PHE A 416 3.312 -4.817 -5.434 1.00 12.11 C ATOM 344 CG PHE A 416 4.048 -4.341 -6.659 1.00 24.42 C ATOM 345 CD1 PHE A 416 5.051 -5.023 -7.353 1.00 63.35 C ATOM 346 CD2 PHE A 416 3.661 -3.088 -7.107 1.00 2.01 C ATOM 347 CE1 PHE A 416 5.630 -4.452 -8.484 1.00 44.33 C ATOM 348 CE2 PHE A 416 4.217 -2.520 -8.224 1.00 1.54 C ATOM 349 CZ PHE A 416 5.213 -3.198 -8.921 1.00 3.10 C ATOM 0 H PHE A 416 2.394 -7.216 -5.316 1.00 2.54 H new ATOM 0 HA PHE A 416 4.907 -6.159 -4.749 1.00 34.13 H new ATOM 0 HB2 PHE A 416 2.339 -5.170 -5.775 1.00 12.11 H new ATOM 0 HB3 PHE A 416 3.133 -3.935 -4.819 1.00 12.11 H new ATOM 0 HD1 PHE A 416 5.378 -5.994 -7.012 1.00 63.35 H new ATOM 0 HD2 PHE A 416 2.902 -2.545 -6.563 1.00 2.01 H new ATOM 0 HE1 PHE A 416 6.402 -4.982 -9.022 1.00 44.33 H new ATOM 0 HE2 PHE A 416 3.883 -1.550 -8.562 1.00 1.54 H new ATOM 0 HZ PHE A 416 5.660 -2.753 -9.797 1.00 3.10 H new ATOM 359 N GLY A 417 4.955 -5.557 -2.229 1.00 54.20 N ATOM 360 CA GLY A 417 4.983 -5.154 -0.819 1.00 51.02 C ATOM 361 C GLY A 417 5.698 -3.818 -0.538 1.00 13.11 C ATOM 362 O GLY A 417 6.013 -3.097 -1.490 1.00 24.12 O ATOM 0 H GLY A 417 5.823 -5.972 -2.566 1.00 54.20 H new ATOM 0 HA2 GLY A 417 3.958 -5.083 -0.456 1.00 51.02 H new ATOM 0 HA3 GLY A 417 5.472 -5.939 -0.242 1.00 51.02 H new ATOM 366 N ASP A 418 5.916 -3.498 0.790 1.00 0.50 N ATOM 367 CA ASP A 418 6.541 -2.204 1.261 1.00 21.41 C ATOM 368 C ASP A 418 7.798 -1.810 0.457 1.00 14.02 C ATOM 369 O ASP A 418 7.901 -0.660 0.006 1.00 73.41 O ATOM 370 CB ASP A 418 6.880 -2.184 2.816 1.00 72.05 C ATOM 371 CG ASP A 418 7.528 -0.881 3.278 1.00 73.24 C ATOM 372 OD1 ASP A 418 6.817 0.129 3.421 1.00 54.15 O ATOM 373 OD2 ASP A 418 8.763 -0.889 3.506 1.00 70.42 O ATOM 0 H ASP A 418 5.665 -4.125 1.555 1.00 0.50 H new ATOM 0 HA ASP A 418 5.765 -1.461 1.078 1.00 21.41 H new ATOM 0 HB2 ASP A 418 5.963 -2.346 3.382 1.00 72.05 H new ATOM 0 HB3 ASP A 418 7.547 -3.015 3.046 1.00 72.05 H new ATOM 378 N GLN A 419 8.721 -2.771 0.247 1.00 34.22 N ATOM 379 CA GLN A 419 10.001 -2.499 -0.424 1.00 71.41 C ATOM 380 C GLN A 419 9.872 -2.015 -1.884 1.00 3.25 C ATOM 381 O GLN A 419 10.551 -1.046 -2.250 1.00 74.21 O ATOM 382 CB GLN A 419 10.980 -3.698 -0.327 1.00 75.33 C ATOM 383 CG GLN A 419 10.611 -4.964 -1.153 1.00 3.42 C ATOM 384 CD GLN A 419 11.544 -5.249 -2.334 1.00 21.54 C ATOM 385 OE1 GLN A 419 11.704 -6.403 -2.727 1.00 51.34 O ATOM 386 NE2 GLN A 419 12.166 -4.220 -2.915 1.00 11.40 N ATOM 0 H GLN A 419 8.600 -3.742 0.534 1.00 34.22 H new ATOM 0 HA GLN A 419 10.421 -1.661 0.132 1.00 71.41 H new ATOM 0 HB2 GLN A 419 11.966 -3.359 -0.644 1.00 75.33 H new ATOM 0 HB3 GLN A 419 11.063 -3.987 0.721 1.00 75.33 H new ATOM 0 HG2 GLN A 419 10.613 -5.828 -0.489 1.00 3.42 H new ATOM 0 HG3 GLN A 419 9.594 -4.853 -1.529 1.00 3.42 H new ATOM 0 HE21 GLN A 419 12.016 -3.272 -2.569 1.00 11.40 H new ATOM 0 HE22 GLN A 419 12.791 -4.382 -3.704 1.00 11.40 H new ATOM 395 N ASP A 420 9.029 -2.671 -2.722 1.00 24.13 N ATOM 396 CA ASP A 420 8.877 -2.251 -4.131 1.00 2.14 C ATOM 397 C ASP A 420 8.338 -0.826 -4.250 1.00 25.35 C ATOM 398 O ASP A 420 8.902 -0.032 -5.015 1.00 72.52 O ATOM 399 CB ASP A 420 8.007 -3.211 -4.954 1.00 63.02 C ATOM 400 CG ASP A 420 6.889 -2.547 -5.700 1.00 35.14 C ATOM 401 OD1 ASP A 420 5.791 -2.420 -5.109 1.00 3.13 O ATOM 402 OD2 ASP A 420 7.132 -2.081 -6.832 1.00 44.50 O ATOM 0 H ASP A 420 8.459 -3.473 -2.452 1.00 24.13 H new ATOM 0 HA ASP A 420 9.883 -2.279 -4.549 1.00 2.14 H new ATOM 0 HB2 ASP A 420 8.642 -3.737 -5.667 1.00 63.02 H new ATOM 0 HB3 ASP A 420 7.586 -3.963 -4.287 1.00 63.02 H new ATOM 407 N ILE A 421 7.245 -0.517 -3.497 1.00 62.14 N ATOM 408 CA ILE A 421 6.493 0.721 -3.688 1.00 45.44 C ATOM 409 C ILE A 421 7.365 1.958 -3.388 1.00 43.41 C ATOM 410 O ILE A 421 7.069 3.071 -3.853 1.00 65.24 O ATOM 411 CB ILE A 421 5.122 0.733 -2.833 1.00 12.45 C ATOM 412 CG1 ILE A 421 3.843 0.877 -3.733 1.00 1.34 C ATOM 413 CG2 ILE A 421 5.080 1.733 -1.656 1.00 43.13 C ATOM 414 CD1 ILE A 421 2.602 1.482 -3.079 1.00 10.12 C ATOM 0 H ILE A 421 6.879 -1.118 -2.758 1.00 62.14 H new ATOM 0 HA ILE A 421 6.208 0.768 -4.739 1.00 45.44 H new ATOM 0 HB ILE A 421 5.113 -0.255 -2.373 1.00 12.45 H new ATOM 0 HG12 ILE A 421 4.103 1.488 -4.597 1.00 1.34 H new ATOM 0 HG13 ILE A 421 3.580 -0.112 -4.110 1.00 1.34 H new ATOM 0 HG21 ILE A 421 4.117 1.659 -1.150 1.00 43.13 H new ATOM 0 HG22 ILE A 421 5.879 1.500 -0.952 1.00 43.13 H new ATOM 0 HG23 ILE A 421 5.214 2.746 -2.035 1.00 43.13 H new ATOM 0 HD11 ILE A 421 1.792 1.525 -3.807 1.00 10.12 H new ATOM 0 HD12 ILE A 421 2.298 0.864 -2.234 1.00 10.12 H new ATOM 0 HD13 ILE A 421 2.829 2.489 -2.729 1.00 10.12 H new ATOM 426 N LEU A 422 8.490 1.748 -2.686 1.00 42.10 N ATOM 427 CA LEU A 422 9.271 2.838 -2.213 1.00 15.50 C ATOM 428 C LEU A 422 10.257 3.261 -3.338 1.00 52.42 C ATOM 429 O LEU A 422 10.548 4.434 -3.515 1.00 12.34 O ATOM 430 CB LEU A 422 9.988 2.509 -0.833 1.00 31.32 C ATOM 431 CG LEU A 422 10.953 3.602 -0.260 1.00 12.52 C ATOM 432 CD1 LEU A 422 10.257 4.938 0.077 1.00 22.44 C ATOM 433 CD2 LEU A 422 11.691 3.155 1.007 1.00 22.50 C ATOM 0 H LEU A 422 8.855 0.826 -2.448 1.00 42.10 H new ATOM 0 HA LEU A 422 8.624 3.685 -1.986 1.00 15.50 H new ATOM 0 HB2 LEU A 422 9.217 2.312 -0.088 1.00 31.32 H new ATOM 0 HB3 LEU A 422 10.555 1.586 -0.956 1.00 31.32 H new ATOM 0 HG LEU A 422 11.658 3.751 -1.078 1.00 12.52 H new ATOM 0 HD11 LEU A 422 10.991 5.642 0.468 1.00 22.44 H new ATOM 0 HD12 LEU A 422 9.804 5.350 -0.825 1.00 22.44 H new ATOM 0 HD13 LEU A 422 9.484 4.767 0.826 1.00 22.44 H new ATOM 0 HD21 LEU A 422 12.342 3.958 1.351 1.00 22.50 H new ATOM 0 HD22 LEU A 422 10.966 2.917 1.785 1.00 22.50 H new ATOM 0 HD23 LEU A 422 12.290 2.272 0.787 1.00 22.50 H new ATOM 445 N GLN A 423 10.723 2.266 -4.102 1.00 63.22 N ATOM 446 CA GLN A 423 11.646 2.478 -5.277 1.00 12.14 C ATOM 447 C GLN A 423 10.901 2.729 -6.613 1.00 74.45 C ATOM 448 O GLN A 423 11.201 3.702 -7.293 1.00 1.43 O ATOM 449 CB GLN A 423 12.579 1.263 -5.549 1.00 60.31 C ATOM 450 CG GLN A 423 13.602 0.879 -4.473 1.00 43.03 C ATOM 451 CD GLN A 423 13.706 -0.641 -4.209 1.00 22.23 C ATOM 452 OE1 GLN A 423 14.775 -1.108 -3.815 1.00 51.14 O ATOM 453 NE2 GLN A 423 12.641 -1.459 -4.412 1.00 61.12 N ATOM 0 H GLN A 423 10.486 1.287 -3.943 1.00 63.22 H new ATOM 0 HA GLN A 423 12.216 3.357 -4.978 1.00 12.14 H new ATOM 0 HB2 GLN A 423 11.948 0.394 -5.734 1.00 60.31 H new ATOM 0 HB3 GLN A 423 13.125 1.462 -6.471 1.00 60.31 H new ATOM 0 HG2 GLN A 423 14.582 1.252 -4.770 1.00 43.03 H new ATOM 0 HG3 GLN A 423 13.338 1.381 -3.542 1.00 43.03 H new ATOM 0 HE21 GLN A 423 11.756 -1.072 -4.738 1.00 61.12 H new ATOM 0 HE22 GLN A 423 12.727 -2.460 -4.238 1.00 61.12 H new ATOM 462 N MET A 424 10.010 1.798 -7.037 1.00 14.45 N ATOM 463 CA MET A 424 9.296 1.913 -8.361 1.00 34.33 C ATOM 464 C MET A 424 8.360 3.178 -8.433 1.00 21.43 C ATOM 465 O MET A 424 7.982 3.598 -9.527 1.00 35.21 O ATOM 466 CB MET A 424 8.541 0.553 -8.768 1.00 11.31 C ATOM 467 CG MET A 424 8.024 0.373 -10.252 1.00 10.32 C ATOM 468 SD MET A 424 9.353 0.472 -11.464 1.00 14.23 S ATOM 469 CE MET A 424 9.012 2.045 -12.244 1.00 73.34 C ATOM 0 H MET A 424 9.762 0.967 -6.500 1.00 14.45 H new ATOM 0 HA MET A 424 10.066 2.068 -9.116 1.00 34.33 H new ATOM 0 HB2 MET A 424 9.217 -0.275 -8.553 1.00 11.31 H new ATOM 0 HB3 MET A 424 7.682 0.443 -8.106 1.00 11.31 H new ATOM 0 HG2 MET A 424 7.524 -0.591 -10.344 1.00 10.32 H new ATOM 0 HG3 MET A 424 7.281 1.140 -10.470 1.00 10.32 H new ATOM 0 HE1 MET A 424 9.561 2.112 -13.183 1.00 73.34 H new ATOM 0 HE2 MET A 424 7.943 2.129 -12.441 1.00 73.34 H new ATOM 0 HE3 MET A 424 9.324 2.854 -11.583 1.00 73.34 H new ATOM 479 N PHE A 425 7.995 3.806 -7.290 1.00 24.32 N ATOM 480 CA PHE A 425 7.207 5.040 -7.313 1.00 52.44 C ATOM 481 C PHE A 425 8.088 6.285 -6.967 1.00 13.33 C ATOM 482 O PHE A 425 7.594 7.409 -6.954 1.00 30.31 O ATOM 483 CB PHE A 425 5.962 4.796 -6.438 1.00 74.43 C ATOM 484 CG PHE A 425 4.622 4.681 -7.167 1.00 33.41 C ATOM 485 CD1 PHE A 425 4.263 3.459 -7.742 1.00 63.13 C ATOM 486 CD2 PHE A 425 3.692 5.744 -7.272 1.00 63.14 C ATOM 487 CE1 PHE A 425 3.058 3.295 -8.384 1.00 22.12 C ATOM 488 CE2 PHE A 425 2.504 5.554 -7.918 1.00 14.13 C ATOM 489 CZ PHE A 425 2.184 4.340 -8.465 1.00 11.22 C ATOM 0 H PHE A 425 8.235 3.475 -6.355 1.00 24.32 H new ATOM 0 HA PHE A 425 6.844 5.294 -8.309 1.00 52.44 H new ATOM 0 HB2 PHE A 425 6.120 3.879 -5.870 1.00 74.43 H new ATOM 0 HB3 PHE A 425 5.888 5.610 -5.717 1.00 74.43 H new ATOM 0 HD1 PHE A 425 4.947 2.625 -7.681 1.00 63.13 H new ATOM 0 HD2 PHE A 425 3.923 6.707 -6.840 1.00 63.14 H new ATOM 0 HE1 PHE A 425 2.804 2.342 -8.823 1.00 22.12 H new ATOM 0 HE2 PHE A 425 1.806 6.374 -7.999 1.00 14.13 H new ATOM 0 HZ PHE A 425 1.235 4.209 -8.963 1.00 11.22 H new ATOM 499 N MET A 426 9.412 6.056 -6.696 1.00 32.14 N ATOM 500 CA MET A 426 10.408 7.119 -6.406 1.00 14.21 C ATOM 501 C MET A 426 10.809 8.060 -7.588 1.00 43.35 C ATOM 502 O MET A 426 11.064 9.230 -7.309 1.00 71.32 O ATOM 503 CB MET A 426 11.731 6.519 -5.906 1.00 60.03 C ATOM 504 CG MET A 426 12.153 7.038 -4.547 1.00 24.52 C ATOM 505 SD MET A 426 13.678 6.305 -3.932 1.00 11.10 S ATOM 506 CE MET A 426 13.741 7.050 -2.300 1.00 43.00 C ATOM 0 H MET A 426 9.812 5.118 -6.675 1.00 32.14 H new ATOM 0 HA MET A 426 9.878 7.717 -5.664 1.00 14.21 H new ATOM 0 HB2 MET A 426 11.634 5.434 -5.858 1.00 60.03 H new ATOM 0 HB3 MET A 426 12.516 6.737 -6.630 1.00 60.03 H new ATOM 0 HG2 MET A 426 12.278 8.119 -4.604 1.00 24.52 H new ATOM 0 HG3 MET A 426 11.354 6.846 -3.831 1.00 24.52 H new ATOM 0 HE1 MET A 426 14.631 6.702 -1.775 1.00 43.00 H new ATOM 0 HE2 MET A 426 13.777 8.135 -2.397 1.00 43.00 H new ATOM 0 HE3 MET A 426 12.853 6.766 -1.736 1.00 43.00 H new ATOM 516 N PRO A 427 10.938 7.594 -8.906 1.00 13.24 N ATOM 517 CA PRO A 427 11.743 8.307 -9.967 1.00 13.22 C ATOM 518 C PRO A 427 11.315 9.786 -10.360 1.00 33.21 C ATOM 519 O PRO A 427 11.965 10.376 -11.222 1.00 14.50 O ATOM 520 CB PRO A 427 11.621 7.316 -11.157 1.00 55.34 C ATOM 521 CG PRO A 427 10.285 6.720 -10.958 1.00 33.22 C ATOM 522 CD PRO A 427 10.346 6.355 -9.520 1.00 62.22 C ATOM 0 HA PRO A 427 12.752 8.512 -9.611 1.00 13.22 H new ATOM 0 HB2 PRO A 427 11.696 7.827 -12.117 1.00 55.34 H new ATOM 0 HB3 PRO A 427 12.407 6.561 -11.136 1.00 55.34 H new ATOM 0 HG2 PRO A 427 9.483 7.427 -11.170 1.00 33.22 H new ATOM 0 HG3 PRO A 427 10.122 5.852 -11.597 1.00 33.22 H new ATOM 0 HD2 PRO A 427 9.360 6.130 -9.114 1.00 62.22 H new ATOM 0 HD3 PRO A 427 10.969 5.477 -9.348 1.00 62.22 H new ATOM 530 N PHE A 428 10.233 10.379 -9.759 1.00 45.13 N ATOM 531 CA PHE A 428 9.932 11.857 -9.916 1.00 31.33 C ATOM 532 C PHE A 428 9.866 12.708 -8.571 1.00 34.32 C ATOM 533 O PHE A 428 9.324 13.817 -8.597 1.00 52.14 O ATOM 534 CB PHE A 428 8.642 12.171 -10.770 1.00 72.15 C ATOM 535 CG PHE A 428 8.222 11.186 -11.857 1.00 44.23 C ATOM 536 CD1 PHE A 428 8.719 11.284 -13.164 1.00 30.00 C ATOM 537 CD2 PHE A 428 7.263 10.224 -11.594 1.00 50.02 C ATOM 538 CE1 PHE A 428 8.263 10.426 -14.162 1.00 70.21 C ATOM 539 CE2 PHE A 428 6.800 9.376 -12.591 1.00 10.42 C ATOM 540 CZ PHE A 428 7.301 9.478 -13.871 1.00 24.50 C ATOM 0 H PHE A 428 9.565 9.877 -9.174 1.00 45.13 H new ATOM 0 HA PHE A 428 10.818 12.181 -10.462 1.00 31.33 H new ATOM 0 HB2 PHE A 428 7.806 12.276 -10.079 1.00 72.15 H new ATOM 0 HB3 PHE A 428 8.788 13.142 -11.243 1.00 72.15 H new ATOM 0 HD1 PHE A 428 9.462 12.031 -13.399 1.00 30.00 H new ATOM 0 HD2 PHE A 428 6.867 10.131 -10.594 1.00 50.02 H new ATOM 0 HE1 PHE A 428 8.661 10.502 -15.163 1.00 70.21 H new ATOM 0 HE2 PHE A 428 6.047 8.636 -12.364 1.00 10.42 H new ATOM 0 HZ PHE A 428 6.942 8.817 -14.646 1.00 24.50 H new ATOM 550 N GLY A 429 10.414 12.241 -7.421 1.00 60.34 N ATOM 551 CA GLY A 429 10.591 13.106 -6.241 1.00 73.11 C ATOM 552 C GLY A 429 10.149 12.433 -4.909 1.00 63.24 C ATOM 553 O GLY A 429 9.782 11.254 -4.938 1.00 63.43 O ATOM 0 H GLY A 429 10.735 11.282 -7.292 1.00 60.34 H new ATOM 0 HA2 GLY A 429 11.640 13.393 -6.164 1.00 73.11 H new ATOM 0 HA3 GLY A 429 10.019 14.023 -6.383 1.00 73.11 H new ATOM 557 N ASN A 430 10.161 13.151 -3.733 1.00 53.22 N ATOM 558 CA ASN A 430 10.195 12.447 -2.417 1.00 64.43 C ATOM 559 C ASN A 430 8.778 12.027 -1.881 1.00 51.24 C ATOM 560 O ASN A 430 7.799 12.776 -1.992 1.00 72.33 O ATOM 561 CB ASN A 430 11.014 13.258 -1.341 1.00 32.13 C ATOM 562 CG ASN A 430 10.338 14.494 -0.733 1.00 0.04 C ATOM 563 OD1 ASN A 430 9.563 15.195 -1.385 1.00 52.20 O ATOM 564 ND2 ASN A 430 10.665 14.770 0.541 1.00 74.34 N ATOM 0 H ASN A 430 10.148 14.169 -3.677 1.00 53.22 H new ATOM 0 HA ASN A 430 10.722 11.511 -2.602 1.00 64.43 H new ATOM 0 HB2 ASN A 430 11.270 12.578 -0.528 1.00 32.13 H new ATOM 0 HB3 ASN A 430 11.951 13.576 -1.798 1.00 32.13 H new ATOM 0 HD21 ASN A 430 10.267 15.587 1.004 1.00 74.34 H new ATOM 0 HD22 ASN A 430 11.311 14.163 1.045 1.00 74.34 H new ATOM 571 N VAL A 431 8.683 10.784 -1.347 1.00 54.13 N ATOM 572 CA VAL A 431 7.408 10.176 -0.883 1.00 75.53 C ATOM 573 C VAL A 431 7.353 10.015 0.679 1.00 3.14 C ATOM 574 O VAL A 431 8.372 9.667 1.292 1.00 44.12 O ATOM 575 CB VAL A 431 7.128 8.829 -1.669 1.00 13.42 C ATOM 576 CG1 VAL A 431 8.390 8.074 -1.995 1.00 63.04 C ATOM 577 CG2 VAL A 431 6.186 7.853 -0.969 1.00 74.54 C ATOM 0 H VAL A 431 9.490 10.172 -1.225 1.00 54.13 H new ATOM 0 HA VAL A 431 6.594 10.862 -1.118 1.00 75.53 H new ATOM 0 HB VAL A 431 6.640 9.186 -2.576 1.00 13.42 H new ATOM 0 HG11 VAL A 431 8.139 7.160 -2.533 1.00 63.04 H new ATOM 0 HG12 VAL A 431 9.035 8.695 -2.616 1.00 63.04 H new ATOM 0 HG13 VAL A 431 8.911 7.820 -1.072 1.00 63.04 H new ATOM 0 HG21 VAL A 431 6.059 6.964 -1.587 1.00 74.54 H new ATOM 0 HG22 VAL A 431 6.608 7.568 -0.005 1.00 74.54 H new ATOM 0 HG23 VAL A 431 5.218 8.329 -0.815 1.00 74.54 H new ATOM 587 N ILE A 432 6.173 10.270 1.333 1.00 24.44 N ATOM 588 CA ILE A 432 6.116 10.296 2.825 1.00 71.31 C ATOM 589 C ILE A 432 5.407 9.041 3.506 1.00 30.34 C ATOM 590 O ILE A 432 5.767 8.695 4.637 1.00 61.24 O ATOM 591 CB ILE A 432 5.452 11.618 3.381 1.00 53.44 C ATOM 592 CG1 ILE A 432 5.535 12.793 2.407 1.00 63.24 C ATOM 593 CG2 ILE A 432 6.132 12.103 4.633 1.00 22.44 C ATOM 594 CD1 ILE A 432 4.957 14.127 2.948 1.00 23.03 C ATOM 0 H ILE A 432 5.284 10.453 0.867 1.00 24.44 H new ATOM 0 HA ILE A 432 7.169 10.255 3.105 1.00 71.31 H new ATOM 0 HB ILE A 432 4.415 11.333 3.557 1.00 53.44 H new ATOM 0 HG12 ILE A 432 6.579 12.949 2.136 1.00 63.24 H new ATOM 0 HG13 ILE A 432 5.004 12.527 1.493 1.00 63.24 H new ATOM 0 HG21 ILE A 432 5.645 13.013 4.982 1.00 22.44 H new ATOM 0 HG22 ILE A 432 6.064 11.336 5.405 1.00 22.44 H new ATOM 0 HG23 ILE A 432 7.181 12.311 4.420 1.00 22.44 H new ATOM 0 HD11 ILE A 432 5.059 14.902 2.189 1.00 23.03 H new ATOM 0 HD12 ILE A 432 3.903 13.995 3.192 1.00 23.03 H new ATOM 0 HD13 ILE A 432 5.502 14.423 3.844 1.00 23.03 H new ATOM 606 N SER A 433 4.422 8.374 2.839 1.00 43.24 N ATOM 607 CA SER A 433 3.674 7.214 3.400 1.00 42.11 C ATOM 608 C SER A 433 3.677 6.007 2.410 1.00 11.52 C ATOM 609 O SER A 433 3.331 6.165 1.234 1.00 11.22 O ATOM 610 CB SER A 433 2.200 7.672 3.623 1.00 4.51 C ATOM 611 OG SER A 433 2.138 8.867 4.382 1.00 10.54 O ATOM 0 H SER A 433 4.125 8.627 1.896 1.00 43.24 H new ATOM 0 HA SER A 433 4.146 6.894 4.329 1.00 42.11 H new ATOM 0 HB2 SER A 433 1.716 7.826 2.659 1.00 4.51 H new ATOM 0 HB3 SER A 433 1.647 6.885 4.135 1.00 4.51 H new ATOM 0 HG SER A 433 1.442 9.451 4.016 1.00 10.54 H new ATOM 617 N ALA A 434 4.092 4.814 2.921 1.00 23.50 N ATOM 618 CA ALA A 434 3.984 3.499 2.198 1.00 4.32 C ATOM 619 C ALA A 434 3.420 2.356 3.153 1.00 50.10 C ATOM 620 O ALA A 434 4.057 2.089 4.176 1.00 22.21 O ATOM 621 CB ALA A 434 5.371 3.087 1.652 1.00 24.31 C ATOM 0 H ALA A 434 4.512 4.729 3.846 1.00 23.50 H new ATOM 0 HA ALA A 434 3.285 3.624 1.371 1.00 4.32 H new ATOM 0 HB1 ALA A 434 5.288 2.134 1.129 1.00 24.31 H new ATOM 0 HB2 ALA A 434 5.731 3.850 0.961 1.00 24.31 H new ATOM 0 HB3 ALA A 434 6.073 2.987 2.480 1.00 24.31 H new ATOM 627 N LYS A 435 2.220 1.703 2.872 1.00 44.00 N ATOM 628 CA LYS A 435 1.739 0.512 3.664 1.00 15.25 C ATOM 629 C LYS A 435 0.766 -0.405 2.812 1.00 61.42 C ATOM 630 O LYS A 435 -0.112 0.135 2.123 1.00 70.42 O ATOM 631 CB LYS A 435 1.123 0.921 5.074 1.00 14.30 C ATOM 632 CG LYS A 435 -0.190 1.695 5.166 1.00 4.52 C ATOM 633 CD LYS A 435 -1.392 0.761 5.194 1.00 34.34 C ATOM 634 CE LYS A 435 -2.739 1.471 5.228 1.00 52.30 C ATOM 635 NZ LYS A 435 -2.840 2.521 6.288 1.00 54.50 N ATOM 0 H LYS A 435 1.590 1.982 2.120 1.00 44.00 H new ATOM 0 HA LYS A 435 2.618 -0.091 3.892 1.00 15.25 H new ATOM 0 HB2 LYS A 435 0.991 0.001 5.643 1.00 14.30 H new ATOM 0 HB3 LYS A 435 1.878 1.511 5.593 1.00 14.30 H new ATOM 0 HG2 LYS A 435 -0.187 2.312 6.065 1.00 4.52 H new ATOM 0 HG3 LYS A 435 -0.274 2.372 4.316 1.00 4.52 H new ATOM 0 HD2 LYS A 435 -1.357 0.117 4.316 1.00 34.34 H new ATOM 0 HD3 LYS A 435 -1.314 0.114 6.068 1.00 34.34 H new ATOM 0 HE2 LYS A 435 -2.922 1.930 4.256 1.00 52.30 H new ATOM 0 HE3 LYS A 435 -3.525 0.732 5.385 1.00 52.30 H new ATOM 0 HZ1 LYS A 435 -3.798 2.926 6.286 1.00 54.50 H new ATOM 0 HZ2 LYS A 435 -2.646 2.096 7.217 1.00 54.50 H new ATOM 0 HZ3 LYS A 435 -2.146 3.273 6.099 1.00 54.50 H new ATOM 649 N VAL A 436 0.913 -1.782 2.828 1.00 14.13 N ATOM 650 CA VAL A 436 -0.154 -2.690 2.269 1.00 20.35 C ATOM 651 C VAL A 436 -0.907 -3.356 3.487 1.00 71.42 C ATOM 652 O VAL A 436 -0.585 -4.442 3.940 1.00 63.52 O ATOM 653 CB VAL A 436 0.490 -3.784 1.231 1.00 40.51 C ATOM 654 CG1 VAL A 436 -0.382 -5.006 0.857 1.00 42.10 C ATOM 655 CG2 VAL A 436 0.973 -3.231 -0.135 1.00 24.24 C ATOM 0 H VAL A 436 1.727 -2.266 3.207 1.00 14.13 H new ATOM 0 HA VAL A 436 -0.876 -2.126 1.679 1.00 20.35 H new ATOM 0 HB VAL A 436 1.324 -4.086 1.864 1.00 40.51 H new ATOM 0 HG11 VAL A 436 0.166 -5.646 0.165 1.00 42.10 H new ATOM 0 HG12 VAL A 436 -0.624 -5.569 1.758 1.00 42.10 H new ATOM 0 HG13 VAL A 436 -1.303 -4.665 0.384 1.00 42.10 H new ATOM 0 HG21 VAL A 436 1.379 -4.046 -0.735 1.00 24.24 H new ATOM 0 HG22 VAL A 436 0.133 -2.776 -0.661 1.00 24.24 H new ATOM 0 HG23 VAL A 436 1.747 -2.481 0.029 1.00 24.24 H new ATOM 665 N PHE A 437 -1.828 -2.560 4.081 1.00 12.14 N ATOM 666 CA PHE A 437 -3.012 -2.959 4.904 1.00 15.45 C ATOM 667 C PHE A 437 -4.315 -2.372 4.321 1.00 75.52 C ATOM 668 O PHE A 437 -4.266 -1.379 3.594 1.00 64.11 O ATOM 669 CB PHE A 437 -2.915 -2.525 6.387 1.00 33.24 C ATOM 670 CG PHE A 437 -2.349 -3.558 7.362 1.00 30.43 C ATOM 671 CD1 PHE A 437 -3.142 -4.586 7.883 1.00 20.23 C ATOM 672 CD2 PHE A 437 -1.029 -3.477 7.791 1.00 32.41 C ATOM 673 CE1 PHE A 437 -2.622 -5.499 8.794 1.00 45.15 C ATOM 674 CE2 PHE A 437 -0.513 -4.391 8.694 1.00 41.40 C ATOM 675 CZ PHE A 437 -1.311 -5.400 9.192 1.00 71.42 C ATOM 0 H PHE A 437 -1.765 -1.546 3.996 1.00 12.14 H new ATOM 0 HA PHE A 437 -3.024 -4.048 4.869 1.00 15.45 H new ATOM 0 HB2 PHE A 437 -2.296 -1.629 6.441 1.00 33.24 H new ATOM 0 HB3 PHE A 437 -3.912 -2.245 6.727 1.00 33.24 H new ATOM 0 HD1 PHE A 437 -4.173 -4.672 7.573 1.00 20.23 H new ATOM 0 HD2 PHE A 437 -0.396 -2.688 7.414 1.00 32.41 H new ATOM 0 HE1 PHE A 437 -3.248 -6.285 9.188 1.00 45.15 H new ATOM 0 HE2 PHE A 437 0.517 -4.314 9.009 1.00 41.40 H new ATOM 0 HZ PHE A 437 -0.905 -6.112 9.895 1.00 71.42 H new ATOM 866 N GLY A 449 -3.334 -0.604 -1.977 1.00 53.13 N ATOM 867 CA GLY A 449 -2.250 0.247 -1.353 1.00 31.41 C ATOM 868 C GLY A 449 -2.206 1.753 -1.580 1.00 14.32 C ATOM 869 O GLY A 449 -2.734 2.314 -2.541 1.00 64.34 O ATOM 0 HA2 GLY A 449 -2.300 0.088 -0.276 1.00 31.41 H new ATOM 0 HA3 GLY A 449 -1.295 -0.155 -1.691 1.00 31.41 H new ATOM 873 N PHE A 450 -1.527 2.379 -0.581 1.00 14.34 N ATOM 874 CA PHE A 450 -1.596 3.833 -0.278 1.00 60.31 C ATOM 875 C PHE A 450 -0.214 4.563 -0.581 1.00 11.52 C ATOM 876 O PHE A 450 0.801 4.128 -0.029 1.00 40.52 O ATOM 877 CB PHE A 450 -1.980 3.932 1.251 1.00 44.20 C ATOM 878 CG PHE A 450 -3.367 3.446 1.619 1.00 23.23 C ATOM 879 CD1 PHE A 450 -3.697 2.108 1.554 1.00 52.15 C ATOM 880 CD2 PHE A 450 -4.315 4.313 2.104 1.00 21.51 C ATOM 881 CE1 PHE A 450 -4.921 1.646 1.920 1.00 70.55 C ATOM 882 CE2 PHE A 450 -5.561 3.854 2.466 1.00 43.12 C ATOM 883 CZ PHE A 450 -5.847 2.512 2.380 1.00 4.25 C ATOM 0 H PHE A 450 -0.903 1.875 0.049 1.00 14.34 H new ATOM 0 HA PHE A 450 -2.332 4.334 -0.907 1.00 60.31 H new ATOM 0 HB2 PHE A 450 -1.252 3.360 1.826 1.00 44.20 H new ATOM 0 HB3 PHE A 450 -1.886 4.972 1.562 1.00 44.20 H new ATOM 0 HD1 PHE A 450 -2.958 1.405 1.200 1.00 52.15 H new ATOM 0 HD2 PHE A 450 -4.081 5.363 2.202 1.00 21.51 H new ATOM 0 HE1 PHE A 450 -5.151 0.594 1.843 1.00 70.55 H new ATOM 0 HE2 PHE A 450 -6.312 4.546 2.817 1.00 43.12 H new ATOM 0 HZ PHE A 450 -6.818 2.149 2.682 1.00 4.25 H new ATOM 893 N VAL A 451 -0.144 5.651 -1.461 1.00 40.51 N ATOM 894 CA VAL A 451 1.140 6.430 -1.656 1.00 64.14 C ATOM 895 C VAL A 451 0.816 7.965 -1.485 1.00 24.24 C ATOM 896 O VAL A 451 -0.329 8.365 -1.712 1.00 34.04 O ATOM 897 CB VAL A 451 1.855 6.237 -3.080 1.00 35.23 C ATOM 898 CG1 VAL A 451 3.374 6.110 -2.989 1.00 52.33 C ATOM 899 CG2 VAL A 451 1.312 5.109 -3.930 1.00 63.22 C ATOM 0 H VAL A 451 -0.930 5.986 -2.017 1.00 40.51 H new ATOM 0 HA VAL A 451 1.836 6.043 -0.912 1.00 64.14 H new ATOM 0 HB VAL A 451 1.604 7.169 -3.587 1.00 35.23 H new ATOM 0 HG11 VAL A 451 3.789 5.982 -3.989 1.00 52.33 H new ATOM 0 HG12 VAL A 451 3.788 7.011 -2.537 1.00 52.33 H new ATOM 0 HG13 VAL A 451 3.631 5.246 -2.376 1.00 52.33 H new ATOM 0 HG21 VAL A 451 1.863 5.064 -4.870 1.00 63.22 H new ATOM 0 HG22 VAL A 451 1.426 4.165 -3.397 1.00 63.22 H new ATOM 0 HG23 VAL A 451 0.256 5.285 -4.136 1.00 63.22 H new ATOM 909 N SER A 452 1.801 8.826 -1.086 1.00 64.41 N ATOM 910 CA SER A 452 1.573 10.285 -0.861 1.00 74.14 C ATOM 911 C SER A 452 2.873 11.105 -1.350 1.00 24.54 C ATOM 912 O SER A 452 3.980 10.683 -1.003 1.00 65.31 O ATOM 913 CB SER A 452 1.277 10.496 0.671 1.00 52.42 C ATOM 914 OG SER A 452 2.443 10.368 1.464 1.00 35.52 O ATOM 0 H SER A 452 2.762 8.531 -0.914 1.00 64.41 H new ATOM 0 HA SER A 452 0.722 10.654 -1.434 1.00 74.14 H new ATOM 0 HB2 SER A 452 0.843 11.484 0.823 1.00 52.42 H new ATOM 0 HB3 SER A 452 0.535 9.768 0.999 1.00 52.42 H new ATOM 0 HG SER A 452 2.214 10.508 2.407 1.00 35.52 H new ATOM 920 N TYR A 453 2.782 12.240 -2.159 1.00 71.11 N ATOM 921 CA TYR A 453 4.006 13.088 -2.527 1.00 23.31 C ATOM 922 C TYR A 453 3.949 14.513 -1.856 1.00 40.23 C ATOM 923 O TYR A 453 2.949 14.820 -1.203 1.00 73.25 O ATOM 924 CB TYR A 453 4.075 13.312 -4.060 1.00 14.32 C ATOM 925 CG TYR A 453 4.465 12.147 -4.971 1.00 65.30 C ATOM 926 CD1 TYR A 453 5.777 11.641 -5.096 1.00 42.33 C ATOM 927 CD2 TYR A 453 3.489 11.577 -5.765 1.00 14.13 C ATOM 928 CE1 TYR A 453 6.053 10.607 -5.976 1.00 40.14 C ATOM 929 CE2 TYR A 453 3.760 10.563 -6.633 1.00 42.00 C ATOM 930 CZ TYR A 453 5.040 10.072 -6.741 1.00 33.44 C ATOM 931 OH TYR A 453 5.312 9.056 -7.630 1.00 35.12 O ATOM 0 H TYR A 453 1.906 12.580 -2.557 1.00 71.11 H new ATOM 0 HA TYR A 453 4.878 12.540 -2.170 1.00 23.31 H new ATOM 0 HB2 TYR A 453 3.096 13.667 -4.383 1.00 14.32 H new ATOM 0 HB3 TYR A 453 4.783 14.121 -4.241 1.00 14.32 H new ATOM 0 HD1 TYR A 453 6.573 12.064 -4.500 1.00 42.33 H new ATOM 0 HD2 TYR A 453 2.477 11.948 -5.695 1.00 14.13 H new ATOM 0 HE1 TYR A 453 7.058 10.222 -6.062 1.00 40.14 H new ATOM 0 HE2 TYR A 453 2.969 10.144 -7.237 1.00 42.00 H new ATOM 0 HH TYR A 453 6.093 8.551 -7.321 1.00 35.12 H new ATOM 941 N ASP A 454 5.020 15.401 -1.997 1.00 52.42 N ATOM 942 CA ASP A 454 5.004 16.709 -1.284 1.00 34.31 C ATOM 943 C ASP A 454 4.329 17.915 -2.055 1.00 53.11 C ATOM 944 O ASP A 454 3.867 18.830 -1.376 1.00 24.04 O ATOM 945 CB ASP A 454 6.411 17.163 -0.697 1.00 13.44 C ATOM 946 CG ASP A 454 6.257 17.986 0.578 1.00 52.24 C ATOM 947 OD1 ASP A 454 6.053 17.391 1.659 1.00 33.15 O ATOM 948 OD2 ASP A 454 6.361 19.232 0.506 1.00 34.42 O ATOM 0 H ASP A 454 5.847 15.228 -2.568 1.00 52.42 H new ATOM 0 HA ASP A 454 4.347 16.471 -0.447 1.00 34.31 H new ATOM 0 HB2 ASP A 454 7.019 16.282 -0.489 1.00 13.44 H new ATOM 0 HB3 ASP A 454 6.944 17.749 -1.445 1.00 13.44 H new ATOM 953 N ASN A 455 4.191 17.961 -3.430 1.00 33.05 N ATOM 954 CA ASN A 455 3.594 19.182 -4.056 1.00 14.12 C ATOM 955 C ASN A 455 2.781 18.916 -5.353 1.00 13.13 C ATOM 956 O ASN A 455 3.210 18.063 -6.129 1.00 62.05 O ATOM 957 CB ASN A 455 4.592 20.368 -4.181 1.00 11.34 C ATOM 958 CG ASN A 455 5.901 20.162 -4.967 1.00 55.50 C ATOM 959 OD1 ASN A 455 6.354 21.084 -5.643 1.00 1.15 O ATOM 960 ND2 ASN A 455 6.542 18.999 -4.879 1.00 75.10 N ATOM 0 H ASN A 455 4.465 17.221 -4.076 1.00 33.05 H new ATOM 0 HA ASN A 455 2.844 19.508 -3.336 1.00 14.12 H new ATOM 0 HB2 ASN A 455 4.059 21.200 -4.642 1.00 11.34 H new ATOM 0 HB3 ASN A 455 4.860 20.681 -3.172 1.00 11.34 H new ATOM 0 HD21 ASN A 455 7.422 18.863 -5.376 1.00 75.10 H new ATOM 0 HD22 ASN A 455 6.153 18.244 -4.314 1.00 75.10 H new ATOM 967 N PRO A 456 1.533 19.589 -5.598 1.00 13.20 N ATOM 968 CA PRO A 456 0.618 19.276 -6.756 1.00 43.11 C ATOM 969 C PRO A 456 1.214 19.184 -8.231 1.00 3.32 C ATOM 970 O PRO A 456 0.496 18.750 -9.136 1.00 43.22 O ATOM 971 CB PRO A 456 -0.519 20.352 -6.651 1.00 51.22 C ATOM 972 CG PRO A 456 -0.117 21.302 -5.598 1.00 73.42 C ATOM 973 CD PRO A 456 0.772 20.525 -4.692 1.00 11.12 C ATOM 0 HA PRO A 456 0.301 18.239 -6.643 1.00 43.11 H new ATOM 0 HB2 PRO A 456 -0.653 20.866 -7.603 1.00 51.22 H new ATOM 0 HB3 PRO A 456 -1.472 19.884 -6.405 1.00 51.22 H new ATOM 0 HG2 PRO A 456 0.405 22.161 -6.020 1.00 73.42 H new ATOM 0 HG3 PRO A 456 -0.985 21.688 -5.063 1.00 73.42 H new ATOM 0 HD2 PRO A 456 1.449 21.182 -4.145 1.00 11.12 H new ATOM 0 HD3 PRO A 456 0.194 19.973 -3.950 1.00 11.12 H new ATOM 981 N VAL A 457 2.510 19.561 -8.480 1.00 43.23 N ATOM 982 CA VAL A 457 3.178 19.354 -9.823 1.00 64.23 C ATOM 983 C VAL A 457 3.590 17.826 -10.018 1.00 22.51 C ATOM 984 O VAL A 457 3.473 17.298 -11.126 1.00 22.23 O ATOM 985 CB VAL A 457 4.431 20.334 -10.082 1.00 43.24 C ATOM 986 CG1 VAL A 457 5.111 20.100 -11.441 1.00 22.32 C ATOM 987 CG2 VAL A 457 4.063 21.831 -10.068 1.00 41.52 C ATOM 0 H VAL A 457 3.110 20.004 -7.784 1.00 43.23 H new ATOM 0 HA VAL A 457 2.436 19.620 -10.576 1.00 64.23 H new ATOM 0 HB VAL A 457 5.096 20.090 -9.254 1.00 43.24 H new ATOM 0 HG11 VAL A 457 5.946 20.791 -11.554 1.00 22.32 H new ATOM 0 HG12 VAL A 457 5.478 19.075 -11.492 1.00 22.32 H new ATOM 0 HG13 VAL A 457 4.391 20.268 -12.242 1.00 22.32 H new ATOM 0 HG21 VAL A 457 4.957 22.427 -10.249 1.00 41.52 H new ATOM 0 HG22 VAL A 457 3.328 22.032 -10.848 1.00 41.52 H new ATOM 0 HG23 VAL A 457 3.643 22.093 -9.097 1.00 41.52 H new ATOM 997 N SER A 458 4.017 17.089 -8.937 1.00 41.42 N ATOM 998 CA SER A 458 4.467 15.660 -9.071 1.00 52.03 C ATOM 999 C SER A 458 3.311 14.605 -9.281 1.00 13.25 C ATOM 1000 O SER A 458 3.589 13.487 -9.726 1.00 12.54 O ATOM 1001 CB SER A 458 5.433 15.251 -7.913 1.00 3.11 C ATOM 1002 OG SER A 458 5.131 15.919 -6.699 1.00 63.21 O ATOM 0 H SER A 458 4.058 17.452 -7.985 1.00 41.42 H new ATOM 0 HA SER A 458 5.022 15.633 -10.009 1.00 52.03 H new ATOM 0 HB2 SER A 458 5.374 14.174 -7.757 1.00 3.11 H new ATOM 0 HB3 SER A 458 6.460 15.475 -8.203 1.00 3.11 H new ATOM 0 HG SER A 458 5.758 15.632 -6.003 1.00 63.21 H new ATOM 1008 N ALA A 459 2.027 14.956 -8.990 1.00 41.23 N ATOM 1009 CA ALA A 459 0.859 14.054 -9.249 1.00 24.41 C ATOM 1010 C ALA A 459 0.477 13.958 -10.759 1.00 71.20 C ATOM 1011 O ALA A 459 -0.008 12.914 -11.194 1.00 63.24 O ATOM 1012 CB ALA A 459 -0.373 14.411 -8.403 1.00 41.32 C ATOM 0 H ALA A 459 1.771 15.853 -8.577 1.00 41.23 H new ATOM 0 HA ALA A 459 1.200 13.067 -8.937 1.00 24.41 H new ATOM 0 HB1 ALA A 459 -1.186 13.723 -8.635 1.00 41.32 H new ATOM 0 HB2 ALA A 459 -0.123 14.333 -7.345 1.00 41.32 H new ATOM 0 HB3 ALA A 459 -0.686 15.431 -8.628 1.00 41.32 H new ATOM 1018 N GLN A 460 0.736 15.030 -11.563 1.00 63.54 N ATOM 1019 CA GLN A 460 0.356 15.083 -13.005 1.00 71.35 C ATOM 1020 C GLN A 460 1.275 14.180 -13.868 1.00 22.13 C ATOM 1021 O GLN A 460 0.785 13.541 -14.806 1.00 75.52 O ATOM 1022 CB GLN A 460 0.353 16.553 -13.560 1.00 3.11 C ATOM 1023 CG GLN A 460 -0.516 17.580 -12.775 1.00 21.44 C ATOM 1024 CD GLN A 460 0.198 18.877 -12.557 1.00 53.41 C ATOM 1025 OE1 GLN A 460 1.421 18.937 -12.508 1.00 3.24 O ATOM 1026 NE2 GLN A 460 -0.559 19.924 -12.387 1.00 20.31 N ATOM 0 H GLN A 460 1.209 15.872 -11.234 1.00 63.54 H new ATOM 0 HA GLN A 460 -0.662 14.700 -13.073 1.00 71.35 H new ATOM 0 HB2 GLN A 460 1.381 16.915 -13.577 1.00 3.11 H new ATOM 0 HB3 GLN A 460 0.006 16.529 -14.593 1.00 3.11 H new ATOM 0 HG2 GLN A 460 -1.441 17.764 -13.322 1.00 21.44 H new ATOM 0 HG3 GLN A 460 -0.795 17.155 -11.811 1.00 21.44 H new ATOM 0 HE21 GLN A 460 -1.574 19.833 -12.435 1.00 20.31 H new ATOM 0 HE22 GLN A 460 -0.137 20.835 -12.206 1.00 20.31 H new ATOM 1035 N ALA A 461 2.595 14.109 -13.557 1.00 75.14 N ATOM 1036 CA ALA A 461 3.512 13.223 -14.316 1.00 25.50 C ATOM 1037 C ALA A 461 3.331 11.715 -13.968 1.00 53.44 C ATOM 1038 O ALA A 461 3.495 10.874 -14.862 1.00 15.55 O ATOM 1039 CB ALA A 461 4.997 13.660 -14.208 1.00 23.30 C ATOM 0 H ALA A 461 3.038 14.639 -12.807 1.00 75.14 H new ATOM 0 HA ALA A 461 3.223 13.339 -15.360 1.00 25.50 H new ATOM 0 HB1 ALA A 461 5.621 12.975 -14.783 1.00 23.30 H new ATOM 0 HB2 ALA A 461 5.109 14.670 -14.602 1.00 23.30 H new ATOM 0 HB3 ALA A 461 5.306 13.642 -13.163 1.00 23.30 H new ATOM 1045 N ALA A 462 3.004 11.358 -12.694 1.00 22.55 N ATOM 1046 CA ALA A 462 2.760 9.934 -12.347 1.00 44.30 C ATOM 1047 C ALA A 462 1.476 9.338 -12.966 1.00 42.00 C ATOM 1048 O ALA A 462 1.525 8.188 -13.352 1.00 21.12 O ATOM 1049 CB ALA A 462 2.832 9.638 -10.833 1.00 44.35 C ATOM 0 H ALA A 462 2.907 12.012 -11.918 1.00 22.55 H new ATOM 0 HA ALA A 462 3.599 9.419 -12.815 1.00 44.30 H new ATOM 0 HB1 ALA A 462 2.643 8.579 -10.660 1.00 44.35 H new ATOM 0 HB2 ALA A 462 3.823 9.896 -10.459 1.00 44.35 H new ATOM 0 HB3 ALA A 462 2.081 10.230 -10.310 1.00 44.35 H new ATOM 1055 N ILE A 463 0.345 10.097 -13.103 1.00 3.34 N ATOM 1056 CA ILE A 463 -0.896 9.569 -13.696 1.00 53.21 C ATOM 1057 C ILE A 463 -0.636 9.076 -15.170 1.00 41.24 C ATOM 1058 O ILE A 463 -1.172 8.048 -15.518 1.00 3.13 O ATOM 1059 CB ILE A 463 -2.114 10.609 -13.540 1.00 50.33 C ATOM 1060 CG1 ILE A 463 -2.460 10.811 -11.996 1.00 71.42 C ATOM 1061 CG2 ILE A 463 -3.389 10.226 -14.354 1.00 52.25 C ATOM 1062 CD1 ILE A 463 -3.634 11.743 -11.640 1.00 72.32 C ATOM 0 H ILE A 463 0.282 11.071 -12.808 1.00 3.34 H new ATOM 0 HA ILE A 463 -1.215 8.687 -13.140 1.00 53.21 H new ATOM 0 HB ILE A 463 -1.773 11.551 -13.970 1.00 50.33 H new ATOM 0 HG12 ILE A 463 -2.669 9.830 -11.568 1.00 71.42 H new ATOM 0 HG13 ILE A 463 -1.567 11.192 -11.500 1.00 71.42 H new ATOM 0 HG21 ILE A 463 -4.162 10.978 -14.194 1.00 52.25 H new ATOM 0 HG22 ILE A 463 -3.143 10.179 -15.415 1.00 52.25 H new ATOM 0 HG23 ILE A 463 -3.754 9.254 -14.022 1.00 52.25 H new ATOM 0 HD11 ILE A 463 -3.751 11.783 -10.557 1.00 72.32 H new ATOM 0 HD12 ILE A 463 -3.432 12.744 -12.020 1.00 72.32 H new ATOM 0 HD13 ILE A 463 -4.551 11.362 -12.090 1.00 72.32 H new ATOM 1074 N GLN A 464 0.247 9.745 -16.001 1.00 60.33 N ATOM 1075 CA GLN A 464 0.659 9.183 -17.346 1.00 72.32 C ATOM 1076 C GLN A 464 1.417 7.800 -17.286 1.00 41.22 C ATOM 1077 O GLN A 464 0.974 6.854 -17.940 1.00 42.34 O ATOM 1078 CB GLN A 464 1.498 10.216 -18.204 1.00 70.31 C ATOM 1079 CG GLN A 464 0.753 11.040 -19.297 1.00 45.11 C ATOM 1080 CD GLN A 464 -0.602 11.703 -18.928 1.00 34.32 C ATOM 1081 OE1 GLN A 464 -1.659 11.086 -19.074 1.00 15.13 O ATOM 1082 NE2 GLN A 464 -0.578 12.984 -18.502 1.00 52.23 N ATOM 0 H GLN A 464 0.673 10.643 -15.772 1.00 60.33 H new ATOM 0 HA GLN A 464 -0.293 8.993 -17.841 1.00 72.32 H new ATOM 0 HB2 GLN A 464 1.964 10.921 -17.515 1.00 70.31 H new ATOM 0 HB3 GLN A 464 2.304 9.667 -18.692 1.00 70.31 H new ATOM 0 HG2 GLN A 464 1.426 11.827 -19.635 1.00 45.11 H new ATOM 0 HG3 GLN A 464 0.579 10.382 -20.148 1.00 45.11 H new ATOM 0 HE21 GLN A 464 0.313 13.468 -18.391 1.00 52.23 H new ATOM 0 HE22 GLN A 464 -1.451 13.468 -18.291 1.00 52.23 H new ATOM 1091 N ALA A 465 2.544 7.669 -16.544 1.00 30.11 N ATOM 1092 CA ALA A 465 3.343 6.375 -16.514 1.00 71.34 C ATOM 1093 C ALA A 465 2.724 5.236 -15.586 1.00 22.04 C ATOM 1094 O ALA A 465 3.264 4.130 -15.507 1.00 75.34 O ATOM 1095 CB ALA A 465 4.849 6.634 -16.183 1.00 3.33 C ATOM 0 H ALA A 465 2.930 8.413 -15.964 1.00 30.11 H new ATOM 0 HA ALA A 465 3.278 5.980 -17.528 1.00 71.34 H new ATOM 0 HB1 ALA A 465 5.387 5.686 -16.171 1.00 3.33 H new ATOM 0 HB2 ALA A 465 5.281 7.287 -16.942 1.00 3.33 H new ATOM 0 HB3 ALA A 465 4.930 7.110 -15.206 1.00 3.33 H new ATOM 1101 N MET A 466 1.585 5.534 -14.924 1.00 53.14 N ATOM 1102 CA MET A 466 0.901 4.667 -13.908 1.00 15.42 C ATOM 1103 C MET A 466 -0.551 4.309 -14.305 1.00 64.21 C ATOM 1104 O MET A 466 -1.116 3.387 -13.713 1.00 20.42 O ATOM 1105 CB MET A 466 0.905 5.278 -12.459 1.00 31.31 C ATOM 1106 CG MET A 466 2.201 5.113 -11.655 1.00 52.31 C ATOM 1107 SD MET A 466 3.678 5.844 -12.395 1.00 25.21 S ATOM 1108 CE MET A 466 4.903 5.463 -11.145 1.00 31.41 C ATOM 0 H MET A 466 1.090 6.412 -15.079 1.00 53.14 H new ATOM 0 HA MET A 466 1.497 3.755 -13.893 1.00 15.42 H new ATOM 0 HB2 MET A 466 0.683 6.342 -12.536 1.00 31.31 H new ATOM 0 HB3 MET A 466 0.092 4.823 -11.894 1.00 31.31 H new ATOM 0 HG2 MET A 466 2.054 5.554 -10.669 1.00 52.31 H new ATOM 0 HG3 MET A 466 2.381 4.049 -11.504 1.00 52.31 H new ATOM 0 HE1 MET A 466 5.873 5.851 -11.456 1.00 31.41 H new ATOM 0 HE2 MET A 466 4.614 5.924 -10.200 1.00 31.41 H new ATOM 0 HE3 MET A 466 4.968 4.383 -11.017 1.00 31.41 H new ATOM 1118 N ASN A 467 -1.188 5.009 -15.274 1.00 42.24 N ATOM 1119 CA ASN A 467 -2.401 4.449 -15.848 1.00 44.31 C ATOM 1120 C ASN A 467 -1.949 3.386 -16.919 1.00 35.55 C ATOM 1121 O ASN A 467 -1.092 3.705 -17.744 1.00 53.24 O ATOM 1122 CB ASN A 467 -3.439 5.504 -16.403 1.00 5.05 C ATOM 1123 CG ASN A 467 -2.993 6.600 -17.389 1.00 25.21 C ATOM 1124 OD1 ASN A 467 -3.571 7.687 -17.382 1.00 11.40 O ATOM 1125 ND2 ASN A 467 -2.027 6.359 -18.251 1.00 21.53 N ATOM 0 H ASN A 467 -0.892 5.911 -15.648 1.00 42.24 H new ATOM 0 HA ASN A 467 -2.980 3.978 -15.054 1.00 44.31 H new ATOM 0 HB2 ASN A 467 -4.239 4.943 -16.886 1.00 5.05 H new ATOM 0 HB3 ASN A 467 -3.878 6.007 -15.541 1.00 5.05 H new ATOM 0 HD21 ASN A 467 -1.751 7.076 -18.921 1.00 21.53 H new ATOM 0 HD22 ASN A 467 -1.555 5.455 -18.248 1.00 21.53 H new ATOM 1132 N GLY A 468 -2.446 2.131 -16.910 1.00 30.34 N ATOM 1133 CA GLY A 468 -1.987 1.167 -17.937 1.00 71.11 C ATOM 1134 C GLY A 468 -0.781 0.238 -17.627 1.00 41.00 C ATOM 1135 O GLY A 468 -0.268 -0.323 -18.592 1.00 52.00 O ATOM 0 H GLY A 468 -3.129 1.773 -16.242 1.00 30.34 H new ATOM 0 HA2 GLY A 468 -2.834 0.530 -18.189 1.00 71.11 H new ATOM 0 HA3 GLY A 468 -1.739 1.737 -18.833 1.00 71.11 H new ATOM 1139 N PHE A 469 -0.292 0.033 -16.367 1.00 72.21 N ATOM 1140 CA PHE A 469 1.007 -0.701 -16.214 1.00 51.03 C ATOM 1141 C PHE A 469 0.738 -2.254 -16.307 1.00 72.30 C ATOM 1142 O PHE A 469 0.096 -2.818 -15.414 1.00 4.01 O ATOM 1143 CB PHE A 469 1.761 -0.323 -14.861 1.00 10.12 C ATOM 1144 CG PHE A 469 3.308 -0.322 -14.877 1.00 50.15 C ATOM 1145 CD1 PHE A 469 4.066 -1.375 -15.393 1.00 73.41 C ATOM 1146 CD2 PHE A 469 4.008 0.755 -14.329 1.00 54.51 C ATOM 1147 CE1 PHE A 469 5.457 -1.339 -15.365 1.00 22.15 C ATOM 1148 CE2 PHE A 469 5.398 0.777 -14.301 1.00 53.21 C ATOM 1149 CZ PHE A 469 6.111 -0.264 -14.822 1.00 2.44 C ATOM 0 H PHE A 469 -0.736 0.338 -15.501 1.00 72.21 H new ATOM 0 HA PHE A 469 1.671 -0.398 -17.024 1.00 51.03 H new ATOM 0 HB2 PHE A 469 1.428 0.669 -14.557 1.00 10.12 H new ATOM 0 HB3 PHE A 469 1.434 -1.019 -14.089 1.00 10.12 H new ATOM 0 HD1 PHE A 469 3.565 -2.231 -15.821 1.00 73.41 H new ATOM 0 HD2 PHE A 469 3.458 1.589 -13.918 1.00 54.51 H new ATOM 0 HE1 PHE A 469 6.024 -2.163 -15.773 1.00 22.15 H new ATOM 0 HE2 PHE A 469 5.915 1.620 -13.866 1.00 53.21 H new ATOM 0 HZ PHE A 469 7.191 -0.240 -14.806 1.00 2.44 H new ATOM 1159 N GLN A 470 1.190 -2.933 -17.410 1.00 24.35 N ATOM 1160 CA GLN A 470 0.937 -4.386 -17.630 1.00 31.31 C ATOM 1161 C GLN A 470 2.162 -5.304 -17.179 1.00 61.14 C ATOM 1162 O GLN A 470 3.276 -5.107 -17.666 1.00 30.13 O ATOM 1163 CB GLN A 470 0.603 -4.511 -19.140 1.00 21.35 C ATOM 1164 CG GLN A 470 0.291 -5.917 -19.735 1.00 1.20 C ATOM 1165 CD GLN A 470 -0.036 -5.890 -21.214 1.00 51.44 C ATOM 1166 OE1 GLN A 470 0.158 -6.878 -21.920 1.00 63.20 O ATOM 1167 NE2 GLN A 470 -0.473 -4.754 -21.697 1.00 72.00 N ATOM 0 H GLN A 470 1.730 -2.493 -18.155 1.00 24.35 H new ATOM 0 HA GLN A 470 0.115 -4.748 -17.012 1.00 31.31 H new ATOM 0 HB2 GLN A 470 -0.257 -3.872 -19.340 1.00 21.35 H new ATOM 0 HB3 GLN A 470 1.444 -4.098 -19.697 1.00 21.35 H new ATOM 0 HG2 GLN A 470 1.149 -6.570 -19.573 1.00 1.20 H new ATOM 0 HG3 GLN A 470 -0.548 -6.353 -19.194 1.00 1.20 H new ATOM 0 HE21 GLN A 470 -0.620 -3.959 -21.076 1.00 72.00 H new ATOM 0 HE22 GLN A 470 -0.666 -4.665 -22.695 1.00 72.00 H new ATOM 1176 N ILE A 471 1.949 -6.290 -16.217 1.00 1.01 N ATOM 1177 CA ILE A 471 3.051 -7.156 -15.594 1.00 51.42 C ATOM 1178 C ILE A 471 2.447 -8.586 -15.279 1.00 33.33 C ATOM 1179 O ILE A 471 1.815 -8.724 -14.219 1.00 61.14 O ATOM 1180 CB ILE A 471 3.598 -6.574 -14.198 1.00 42.13 C ATOM 1181 CG1 ILE A 471 3.502 -5.022 -14.185 1.00 41.50 C ATOM 1182 CG2 ILE A 471 5.055 -6.992 -13.895 1.00 62.32 C ATOM 1183 CD1 ILE A 471 4.101 -4.276 -12.982 1.00 1.22 C ATOM 0 H ILE A 471 1.021 -6.507 -15.854 1.00 1.01 H new ATOM 0 HA ILE A 471 3.873 -7.182 -16.309 1.00 51.42 H new ATOM 0 HB ILE A 471 2.965 -7.002 -13.421 1.00 42.13 H new ATOM 0 HG12 ILE A 471 3.989 -4.649 -15.086 1.00 41.50 H new ATOM 0 HG13 ILE A 471 2.449 -4.751 -14.256 1.00 41.50 H new ATOM 0 HG21 ILE A 471 5.364 -6.567 -12.940 1.00 62.32 H new ATOM 0 HG22 ILE A 471 5.119 -8.079 -13.847 1.00 62.32 H new ATOM 0 HG23 ILE A 471 5.711 -6.625 -14.685 1.00 62.32 H new ATOM 0 HD11 ILE A 471 3.960 -3.203 -13.112 1.00 1.22 H new ATOM 0 HD12 ILE A 471 3.602 -4.600 -12.068 1.00 1.22 H new ATOM 0 HD13 ILE A 471 5.166 -4.496 -12.911 1.00 1.22 H new ATOM 1195 N GLY A 472 2.582 -9.642 -16.170 1.00 64.53 N ATOM 1196 CA GLY A 472 1.915 -10.952 -15.919 1.00 64.44 C ATOM 1197 C GLY A 472 0.346 -10.859 -16.044 1.00 43.53 C ATOM 1198 O GLY A 472 -0.138 -10.310 -17.034 1.00 4.42 O ATOM 0 H GLY A 472 3.128 -9.600 -17.031 1.00 64.53 H new ATOM 0 HA2 GLY A 472 2.290 -11.690 -16.628 1.00 64.44 H new ATOM 0 HA3 GLY A 472 2.177 -11.306 -14.922 1.00 64.44 H new ATOM 1202 N MET A 473 -0.444 -11.354 -15.047 1.00 43.51 N ATOM 1203 CA MET A 473 -1.970 -11.410 -15.149 1.00 10.32 C ATOM 1204 C MET A 473 -2.735 -10.323 -14.309 1.00 64.04 C ATOM 1205 O MET A 473 -3.901 -10.509 -13.963 1.00 4.22 O ATOM 1206 CB MET A 473 -2.474 -12.884 -14.877 1.00 11.04 C ATOM 1207 CG MET A 473 -2.426 -13.470 -13.442 1.00 12.34 C ATOM 1208 SD MET A 473 -3.964 -13.253 -12.518 1.00 53.11 S ATOM 1209 CE MET A 473 -3.435 -13.809 -10.901 1.00 13.30 C ATOM 0 H MET A 473 -0.076 -11.719 -14.169 1.00 43.51 H new ATOM 0 HA MET A 473 -2.224 -11.139 -16.174 1.00 10.32 H new ATOM 0 HB2 MET A 473 -3.509 -12.940 -15.215 1.00 11.04 H new ATOM 0 HB3 MET A 473 -1.893 -13.548 -15.517 1.00 11.04 H new ATOM 0 HG2 MET A 473 -2.195 -14.534 -13.501 1.00 12.34 H new ATOM 0 HG3 MET A 473 -1.612 -12.997 -12.893 1.00 12.34 H new ATOM 0 HE1 MET A 473 -4.269 -13.741 -10.202 1.00 13.30 H new ATOM 0 HE2 MET A 473 -3.098 -14.844 -10.964 1.00 13.30 H new ATOM 0 HE3 MET A 473 -2.615 -13.182 -10.551 1.00 13.30 H new ATOM 1219 N LYS A 474 -2.135 -9.130 -14.097 1.00 5.23 N ATOM 1220 CA LYS A 474 -2.782 -8.070 -13.323 1.00 63.21 C ATOM 1221 C LYS A 474 -2.501 -6.717 -14.021 1.00 63.41 C ATOM 1222 O LYS A 474 -1.361 -6.480 -14.446 1.00 43.31 O ATOM 1223 CB LYS A 474 -2.287 -7.940 -11.847 1.00 10.21 C ATOM 1224 CG LYS A 474 -2.901 -8.892 -10.752 1.00 14.50 C ATOM 1225 CD LYS A 474 -4.222 -8.337 -10.198 1.00 15.34 C ATOM 1226 CE LYS A 474 -4.862 -9.167 -9.065 1.00 73.43 C ATOM 1227 NZ LYS A 474 -3.938 -9.369 -7.907 1.00 75.12 N ATOM 0 H LYS A 474 -1.210 -8.887 -14.452 1.00 5.23 H new ATOM 0 HA LYS A 474 -3.839 -8.332 -13.284 1.00 63.21 H new ATOM 0 HB2 LYS A 474 -1.207 -8.091 -11.847 1.00 10.21 H new ATOM 0 HB3 LYS A 474 -2.466 -6.913 -11.529 1.00 10.21 H new ATOM 0 HG2 LYS A 474 -3.072 -9.879 -11.181 1.00 14.50 H new ATOM 0 HG3 LYS A 474 -2.188 -9.018 -9.937 1.00 14.50 H new ATOM 0 HD2 LYS A 474 -4.047 -7.326 -9.831 1.00 15.34 H new ATOM 0 HD3 LYS A 474 -4.937 -8.259 -11.017 1.00 15.34 H new ATOM 0 HE2 LYS A 474 -5.767 -8.667 -8.720 1.00 73.43 H new ATOM 0 HE3 LYS A 474 -5.164 -10.138 -9.457 1.00 73.43 H new ATOM 0 HZ1 LYS A 474 -4.491 -9.603 -7.058 1.00 75.12 H new ATOM 0 HZ2 LYS A 474 -3.282 -10.148 -8.118 1.00 75.12 H new ATOM 0 HZ3 LYS A 474 -3.397 -8.497 -7.738 1.00 75.12 H new ATOM 1241 N ARG A 475 -3.493 -5.831 -14.173 1.00 4.14 N ATOM 1242 CA ARG A 475 -3.176 -4.447 -14.590 1.00 23.13 C ATOM 1243 C ARG A 475 -3.185 -3.436 -13.381 1.00 54.24 C ATOM 1244 O ARG A 475 -4.140 -3.447 -12.615 1.00 2.44 O ATOM 1245 CB ARG A 475 -4.155 -3.915 -15.692 1.00 74.03 C ATOM 1246 CG ARG A 475 -3.726 -2.593 -16.332 1.00 1.15 C ATOM 1247 CD ARG A 475 -3.315 -2.814 -17.802 1.00 63.13 C ATOM 1248 NE ARG A 475 -2.784 -4.174 -18.027 1.00 61.02 N ATOM 1249 CZ ARG A 475 -3.380 -5.120 -18.787 1.00 3.22 C ATOM 1250 NH1 ARG A 475 -4.515 -4.866 -19.440 1.00 54.22 N ATOM 1251 NH2 ARG A 475 -2.894 -6.349 -18.805 1.00 10.34 N ATOM 0 H ARG A 475 -4.483 -6.028 -14.023 1.00 4.14 H new ATOM 0 HA ARG A 475 -2.168 -4.502 -15.002 1.00 23.13 H new ATOM 0 HB2 ARG A 475 -4.248 -4.670 -16.473 1.00 74.03 H new ATOM 0 HB3 ARG A 475 -5.144 -3.788 -15.252 1.00 74.03 H new ATOM 0 HG2 ARG A 475 -4.544 -1.875 -16.281 1.00 1.15 H new ATOM 0 HG3 ARG A 475 -2.892 -2.166 -15.775 1.00 1.15 H new ATOM 0 HD2 ARG A 475 -4.177 -2.649 -18.449 1.00 63.13 H new ATOM 0 HD3 ARG A 475 -2.561 -2.079 -18.083 1.00 63.13 H new ATOM 0 HE ARG A 475 -1.902 -4.417 -17.575 1.00 61.02 H new ATOM 0 HH11 ARG A 475 -4.948 -3.945 -19.371 1.00 54.22 H new ATOM 0 HH12 ARG A 475 -4.950 -5.593 -20.009 1.00 54.22 H new ATOM 0 HH21 ARG A 475 -2.072 -6.581 -18.247 1.00 10.34 H new ATOM 0 HH22 ARG A 475 -3.341 -7.066 -19.377 1.00 10.34 H new ATOM 1265 N LEU A 476 -2.138 -2.563 -13.221 1.00 3.44 N ATOM 1266 CA LEU A 476 -2.197 -1.388 -12.272 1.00 13.13 C ATOM 1267 C LEU A 476 -3.289 -0.317 -12.739 1.00 42.54 C ATOM 1268 O LEU A 476 -3.217 0.144 -13.888 1.00 32.32 O ATOM 1269 CB LEU A 476 -0.813 -0.633 -12.229 1.00 15.31 C ATOM 1270 CG LEU A 476 -0.475 0.186 -10.967 1.00 52.34 C ATOM 1271 CD1 LEU A 476 0.483 -0.551 -10.022 1.00 61.43 C ATOM 1272 CD2 LEU A 476 0.150 1.520 -11.331 1.00 0.12 C ATOM 0 H LEU A 476 -1.255 -2.644 -13.726 1.00 3.44 H new ATOM 0 HA LEU A 476 -2.453 -1.795 -11.294 1.00 13.13 H new ATOM 0 HB2 LEU A 476 -0.025 -1.373 -12.368 1.00 15.31 H new ATOM 0 HB3 LEU A 476 -0.773 0.041 -13.085 1.00 15.31 H new ATOM 0 HG LEU A 476 -1.424 0.340 -10.453 1.00 52.34 H new ATOM 0 HD11 LEU A 476 0.686 0.072 -9.151 1.00 61.43 H new ATOM 0 HD12 LEU A 476 0.028 -1.487 -9.700 1.00 61.43 H new ATOM 0 HD13 LEU A 476 1.417 -0.762 -10.543 1.00 61.43 H new ATOM 0 HD21 LEU A 476 0.378 2.076 -10.421 1.00 0.12 H new ATOM 0 HD22 LEU A 476 1.069 1.350 -11.892 1.00 0.12 H new ATOM 0 HD23 LEU A 476 -0.547 2.094 -11.942 1.00 0.12 H new ATOM 1284 N LYS A 477 -4.302 0.069 -11.882 1.00 1.30 N ATOM 1285 CA LYS A 477 -5.250 1.212 -12.211 1.00 13.15 C ATOM 1286 C LYS A 477 -5.245 2.315 -11.057 1.00 24.24 C ATOM 1287 O LYS A 477 -5.547 1.981 -9.916 1.00 72.42 O ATOM 1288 CB LYS A 477 -6.681 0.670 -12.583 1.00 45.54 C ATOM 1289 CG LYS A 477 -7.907 1.674 -12.597 1.00 24.42 C ATOM 1290 CD LYS A 477 -7.853 2.793 -13.659 1.00 63.44 C ATOM 1291 CE LYS A 477 -9.101 3.728 -13.599 1.00 13.01 C ATOM 1292 NZ LYS A 477 -8.930 4.840 -12.614 1.00 62.34 N ATOM 0 H LYS A 477 -4.483 -0.378 -10.983 1.00 1.30 H new ATOM 0 HA LYS A 477 -4.892 1.726 -13.103 1.00 13.15 H new ATOM 0 HB2 LYS A 477 -6.614 0.219 -13.573 1.00 45.54 H new ATOM 0 HB3 LYS A 477 -6.921 -0.131 -11.884 1.00 45.54 H new ATOM 0 HG2 LYS A 477 -8.820 1.099 -12.750 1.00 24.42 H new ATOM 0 HG3 LYS A 477 -7.983 2.137 -11.613 1.00 24.42 H new ATOM 0 HD2 LYS A 477 -6.950 3.386 -13.513 1.00 63.44 H new ATOM 0 HD3 LYS A 477 -7.784 2.346 -14.651 1.00 63.44 H new ATOM 0 HE2 LYS A 477 -9.286 4.147 -14.588 1.00 13.01 H new ATOM 0 HE3 LYS A 477 -9.980 3.141 -13.332 1.00 13.01 H new ATOM 0 HZ1 LYS A 477 -9.535 4.667 -11.786 1.00 62.34 H new ATOM 0 HZ2 LYS A 477 -7.936 4.887 -12.312 1.00 62.34 H new ATOM 0 HZ3 LYS A 477 -9.200 5.741 -13.057 1.00 62.34 H new ATOM 1306 N VAL A 478 -4.925 3.637 -11.356 1.00 34.23 N ATOM 1307 CA VAL A 478 -4.651 4.670 -10.313 1.00 41.42 C ATOM 1308 C VAL A 478 -5.941 5.561 -10.060 1.00 52.25 C ATOM 1309 O VAL A 478 -6.617 5.893 -11.036 1.00 33.11 O ATOM 1310 CB VAL A 478 -3.353 5.552 -10.725 1.00 3.01 C ATOM 1311 CG1 VAL A 478 -3.453 7.060 -10.507 1.00 14.32 C ATOM 1312 CG2 VAL A 478 -2.072 5.121 -10.006 1.00 32.24 C ATOM 0 H VAL A 478 -4.856 3.991 -12.310 1.00 34.23 H new ATOM 0 HA VAL A 478 -4.418 4.178 -9.369 1.00 41.42 H new ATOM 0 HB VAL A 478 -3.317 5.351 -11.796 1.00 3.01 H new ATOM 0 HG11 VAL A 478 -2.524 7.535 -10.820 1.00 14.32 H new ATOM 0 HG12 VAL A 478 -4.280 7.458 -11.094 1.00 14.32 H new ATOM 0 HG13 VAL A 478 -3.627 7.264 -9.450 1.00 14.32 H new ATOM 0 HG21 VAL A 478 -1.244 5.752 -10.328 1.00 32.24 H new ATOM 0 HG22 VAL A 478 -2.208 5.222 -8.929 1.00 32.24 H new ATOM 0 HG23 VAL A 478 -1.851 4.081 -10.248 1.00 32.24 H new ATOM 1322 N GLN A 479 -6.316 5.924 -8.772 1.00 35.34 N ATOM 1323 CA GLN A 479 -7.472 6.813 -8.496 1.00 1.13 C ATOM 1324 C GLN A 479 -7.077 7.913 -7.447 1.00 32.01 C ATOM 1325 O GLN A 479 -6.434 7.570 -6.456 1.00 34.53 O ATOM 1326 CB GLN A 479 -8.728 5.967 -8.006 1.00 14.41 C ATOM 1327 CG GLN A 479 -8.454 4.817 -6.999 1.00 31.41 C ATOM 1328 CD GLN A 479 -8.822 5.124 -5.546 1.00 52.42 C ATOM 1329 OE1 GLN A 479 -9.620 6.019 -5.269 1.00 53.32 O ATOM 1330 NE2 GLN A 479 -8.323 4.298 -4.611 1.00 2.40 N ATOM 0 H GLN A 479 -5.828 5.608 -7.934 1.00 35.34 H new ATOM 0 HA GLN A 479 -7.754 7.316 -9.421 1.00 1.13 H new ATOM 0 HB2 GLN A 479 -9.442 6.653 -7.550 1.00 14.41 H new ATOM 0 HB3 GLN A 479 -9.212 5.540 -8.884 1.00 14.41 H new ATOM 0 HG2 GLN A 479 -9.009 3.935 -7.319 1.00 31.41 H new ATOM 0 HG3 GLN A 479 -7.395 4.561 -7.043 1.00 31.41 H new ATOM 0 HE21 GLN A 479 -7.663 3.567 -4.876 1.00 2.40 H new ATOM 0 HE22 GLN A 479 -8.604 4.402 -3.636 1.00 2.40 H new