USER MOD reduce.3.24.130724 H: found=0, std=0, add=421, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 422 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 490 MET CE :methyl 170:sc= -0.124 (180deg=-0.325) USER MOD Set 1.2: A 495 SER OG : rot 180:sc= -0.0059 USER MOD Set 2.1: A 440 SER OG : rot -129:sc= 1.12 USER MOD Set 2.2: A 445 TYR OH : rot -85:sc= 0.942 USER MOD Single : A 442 THR OG1 : rot 180:sc= 0.0986 USER MOD Single : A 446 SER OG : rot 180:sc= 0 USER MOD Single : A 447 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 449 SER OG : rot 180:sc= 0 USER MOD Single : A 452 SER OG : rot 78:sc= 0.925 USER MOD Single : A 455 SER OG : rot 180:sc= 0 USER MOD Single : A 456 SER OG : rot 138:sc= -0.0487 USER MOD Single : A 457 SER OG : rot 180:sc= 0 USER MOD Single : A 458 THR OG1 : rot 180:sc= 0.0378 USER MOD Single : A 461 LYS NZ :NH3+ -169:sc=-0.00509 (180deg=-0.101) USER MOD Single : A 463 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 465 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 467 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 469 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 471 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 473 GLN : amide:sc= 0.467 K(o=0.47,f=-0.037) USER MOD Single : A 477 SER OG : rot 180:sc= 0 USER MOD Single : A 483 THR OG1 : rot 180:sc= 0 USER MOD Single : A 484 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 487 GLN : amide:sc= 0.712 K(o=0.71,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 439 9.491 -6.345 -9.063 1.00 0.00 N ATOM 2 CA GLY A 439 9.190 -5.033 -8.493 1.00 0.00 C ATOM 3 C GLY A 439 9.976 -4.879 -7.218 1.00 0.00 C ATOM 4 O GLY A 439 9.820 -5.718 -6.330 1.00 0.00 O ATOM 0 HA2 GLY A 439 9.452 -4.244 -9.198 1.00 0.00 H new ATOM 0 HA3 GLY A 439 8.122 -4.941 -8.294 1.00 0.00 H new ATOM 8 N SER A 440 10.796 -3.829 -7.116 1.00 0.00 N ATOM 9 CA SER A 440 11.645 -3.543 -5.970 1.00 0.00 C ATOM 10 C SER A 440 12.576 -4.719 -5.650 1.00 0.00 C ATOM 11 O SER A 440 12.794 -5.048 -4.487 1.00 0.00 O ATOM 12 CB SER A 440 10.805 -3.093 -4.775 1.00 0.00 C ATOM 13 OG SER A 440 10.460 -1.724 -4.854 1.00 0.00 O ATOM 0 H SER A 440 10.886 -3.135 -7.858 1.00 0.00 H new ATOM 0 HA SER A 440 12.301 -2.710 -6.222 1.00 0.00 H new ATOM 0 HB2 SER A 440 9.897 -3.693 -4.724 1.00 0.00 H new ATOM 0 HB3 SER A 440 11.359 -3.274 -3.854 1.00 0.00 H new ATOM 0 HG SER A 440 10.696 -1.278 -4.014 1.00 0.00 H new ATOM 19 N GLU A 441 13.135 -5.377 -6.665 1.00 0.00 N ATOM 20 CA GLU A 441 14.046 -6.503 -6.463 1.00 0.00 C ATOM 21 C GLU A 441 15.291 -6.097 -5.659 1.00 0.00 C ATOM 22 O GLU A 441 15.851 -6.913 -4.922 1.00 0.00 O ATOM 23 CB GLU A 441 14.436 -7.096 -7.821 1.00 0.00 C ATOM 24 CG GLU A 441 15.275 -6.142 -8.691 1.00 0.00 C ATOM 25 CD GLU A 441 15.231 -6.512 -10.170 1.00 0.00 C ATOM 26 OE1 GLU A 441 14.131 -6.434 -10.772 1.00 0.00 O ATOM 27 OE2 GLU A 441 16.290 -6.835 -10.746 1.00 0.00 O ATOM 0 H GLU A 441 12.971 -5.146 -7.645 1.00 0.00 H new ATOM 0 HA GLU A 441 13.528 -7.261 -5.876 1.00 0.00 H new ATOM 0 HB2 GLU A 441 14.998 -8.016 -7.659 1.00 0.00 H new ATOM 0 HB3 GLU A 441 13.530 -7.367 -8.363 1.00 0.00 H new ATOM 0 HG2 GLU A 441 14.910 -5.123 -8.563 1.00 0.00 H new ATOM 0 HG3 GLU A 441 16.309 -6.156 -8.347 1.00 0.00 H new ATOM 34 N THR A 442 15.707 -4.838 -5.784 1.00 0.00 N ATOM 35 CA THR A 442 16.850 -4.219 -5.136 1.00 0.00 C ATOM 36 C THR A 442 16.499 -3.639 -3.757 1.00 0.00 C ATOM 37 O THR A 442 17.353 -3.041 -3.115 1.00 0.00 O ATOM 38 CB THR A 442 17.403 -3.133 -6.083 1.00 0.00 C ATOM 39 OG1 THR A 442 16.337 -2.482 -6.757 1.00 0.00 O ATOM 40 CG2 THR A 442 18.323 -3.750 -7.144 1.00 0.00 C ATOM 0 H THR A 442 15.214 -4.180 -6.387 1.00 0.00 H new ATOM 0 HA THR A 442 17.610 -4.977 -4.948 1.00 0.00 H new ATOM 0 HB THR A 442 17.963 -2.422 -5.475 1.00 0.00 H new ATOM 0 HG1 THR A 442 16.699 -1.794 -7.354 1.00 0.00 H new ATOM 0 HG21 THR A 442 18.700 -2.965 -7.799 1.00 0.00 H new ATOM 0 HG22 THR A 442 19.160 -4.248 -6.655 1.00 0.00 H new ATOM 0 HG23 THR A 442 17.763 -4.476 -7.733 1.00 0.00 H new ATOM 48 N CYS A 443 15.276 -3.816 -3.258 1.00 0.00 N ATOM 49 CA CYS A 443 14.842 -3.290 -1.967 1.00 0.00 C ATOM 50 C CYS A 443 14.284 -4.424 -1.120 1.00 0.00 C ATOM 51 O CYS A 443 13.670 -5.351 -1.643 1.00 0.00 O ATOM 52 CB CYS A 443 13.792 -2.209 -2.212 1.00 0.00 C ATOM 53 SG CYS A 443 14.374 -0.801 -3.193 1.00 0.00 S ATOM 0 H CYS A 443 14.549 -4.337 -3.748 1.00 0.00 H new ATOM 0 HA CYS A 443 15.680 -2.850 -1.427 1.00 0.00 H new ATOM 0 HB2 CYS A 443 12.938 -2.659 -2.718 1.00 0.00 H new ATOM 0 HB3 CYS A 443 13.436 -1.842 -1.249 1.00 0.00 H new ATOM 58 N ILE A 444 14.452 -4.355 0.198 1.00 0.00 N ATOM 59 CA ILE A 444 13.982 -5.371 1.126 1.00 0.00 C ATOM 60 C ILE A 444 13.215 -4.625 2.204 1.00 0.00 C ATOM 61 O ILE A 444 13.805 -4.110 3.154 1.00 0.00 O ATOM 62 CB ILE A 444 15.171 -6.195 1.677 1.00 0.00 C ATOM 63 CG1 ILE A 444 16.086 -6.805 0.588 1.00 0.00 C ATOM 64 CG2 ILE A 444 14.675 -7.271 2.656 1.00 0.00 C ATOM 65 CD1 ILE A 444 15.461 -7.921 -0.262 1.00 0.00 C ATOM 0 H ILE A 444 14.927 -3.577 0.655 1.00 0.00 H new ATOM 0 HA ILE A 444 13.329 -6.103 0.650 1.00 0.00 H new ATOM 0 HB ILE A 444 15.802 -5.485 2.211 1.00 0.00 H new ATOM 0 HG12 ILE A 444 16.410 -6.005 -0.078 1.00 0.00 H new ATOM 0 HG13 ILE A 444 16.980 -7.199 1.071 1.00 0.00 H new ATOM 0 HG21 ILE A 444 15.525 -7.840 3.033 1.00 0.00 H new ATOM 0 HG22 ILE A 444 14.159 -6.794 3.490 1.00 0.00 H new ATOM 0 HG23 ILE A 444 13.988 -7.943 2.141 1.00 0.00 H new ATOM 0 HD11 ILE A 444 16.190 -8.274 -0.992 1.00 0.00 H new ATOM 0 HD12 ILE A 444 15.164 -8.747 0.384 1.00 0.00 H new ATOM 0 HD13 ILE A 444 14.585 -7.535 -0.782 1.00 0.00 H new ATOM 77 N TYR A 445 11.901 -4.504 2.045 1.00 0.00 N ATOM 78 CA TYR A 445 11.078 -3.815 3.024 1.00 0.00 C ATOM 79 C TYR A 445 10.468 -4.838 3.984 1.00 0.00 C ATOM 80 O TYR A 445 10.442 -6.046 3.726 1.00 0.00 O ATOM 81 CB TYR A 445 9.950 -3.031 2.343 1.00 0.00 C ATOM 82 CG TYR A 445 10.270 -2.270 1.066 1.00 0.00 C ATOM 83 CD1 TYR A 445 10.192 -2.955 -0.157 1.00 0.00 C ATOM 84 CD2 TYR A 445 10.504 -0.879 1.054 1.00 0.00 C ATOM 85 CE1 TYR A 445 10.407 -2.291 -1.365 1.00 0.00 C ATOM 86 CE2 TYR A 445 10.762 -0.212 -0.157 1.00 0.00 C ATOM 87 CZ TYR A 445 10.744 -0.925 -1.375 1.00 0.00 C ATOM 88 OH TYR A 445 11.070 -0.298 -2.537 1.00 0.00 O ATOM 0 H TYR A 445 11.386 -4.875 1.246 1.00 0.00 H new ATOM 0 HA TYR A 445 11.709 -3.113 3.569 1.00 0.00 H new ATOM 0 HB2 TYR A 445 9.146 -3.732 2.120 1.00 0.00 H new ATOM 0 HB3 TYR A 445 9.558 -2.316 3.067 1.00 0.00 H new ATOM 0 HD1 TYR A 445 9.962 -4.010 -0.163 1.00 0.00 H new ATOM 0 HD2 TYR A 445 10.485 -0.323 1.980 1.00 0.00 H new ATOM 0 HE1 TYR A 445 10.314 -2.828 -2.297 1.00 0.00 H new ATOM 0 HE2 TYR A 445 10.974 0.847 -0.155 1.00 0.00 H new ATOM 0 HH TYR A 445 12.024 -0.426 -2.721 1.00 0.00 H new ATOM 98 N SER A 446 9.991 -4.350 5.121 1.00 0.00 N ATOM 99 CA SER A 446 9.339 -5.136 6.156 1.00 0.00 C ATOM 100 C SER A 446 7.888 -5.381 5.737 1.00 0.00 C ATOM 101 O SER A 446 7.406 -4.801 4.757 1.00 0.00 O ATOM 102 CB SER A 446 9.401 -4.365 7.480 1.00 0.00 C ATOM 103 OG SER A 446 9.352 -5.239 8.589 1.00 0.00 O ATOM 0 H SER A 446 10.050 -3.359 5.355 1.00 0.00 H new ATOM 0 HA SER A 446 9.838 -6.096 6.289 1.00 0.00 H new ATOM 0 HB2 SER A 446 10.319 -3.778 7.518 1.00 0.00 H new ATOM 0 HB3 SER A 446 8.570 -3.662 7.532 1.00 0.00 H new ATOM 0 HG SER A 446 9.395 -4.718 9.418 1.00 0.00 H new ATOM 109 N ASN A 447 7.183 -6.225 6.494 1.00 0.00 N ATOM 110 CA ASN A 447 5.786 -6.532 6.216 1.00 0.00 C ATOM 111 C ASN A 447 4.993 -5.233 6.308 1.00 0.00 C ATOM 112 O ASN A 447 5.178 -4.462 7.261 1.00 0.00 O ATOM 113 CB ASN A 447 5.220 -7.580 7.183 1.00 0.00 C ATOM 114 CG ASN A 447 3.787 -7.918 6.784 1.00 0.00 C ATOM 115 OD1 ASN A 447 3.526 -8.290 5.645 1.00 0.00 O ATOM 116 ND2 ASN A 447 2.819 -7.759 7.665 1.00 0.00 N ATOM 0 H ASN A 447 7.563 -6.708 7.308 1.00 0.00 H new ATOM 0 HA ASN A 447 5.707 -6.962 5.218 1.00 0.00 H new ATOM 0 HB2 ASN A 447 5.836 -8.479 7.163 1.00 0.00 H new ATOM 0 HB3 ASN A 447 5.244 -7.199 8.204 1.00 0.00 H new ATOM 0 HD21 ASN A 447 1.852 -7.945 7.399 1.00 0.00 H new ATOM 0 HD22 ASN A 447 3.037 -7.450 8.612 1.00 0.00 H new ATOM 123 N TRP A 448 4.120 -4.997 5.333 1.00 0.00 N ATOM 124 CA TRP A 448 3.297 -3.805 5.262 1.00 0.00 C ATOM 125 C TRP A 448 2.467 -3.582 6.515 1.00 0.00 C ATOM 126 O TRP A 448 1.941 -4.538 7.097 1.00 0.00 O ATOM 127 CB TRP A 448 2.310 -3.927 4.096 1.00 0.00 C ATOM 128 CG TRP A 448 2.836 -3.689 2.721 1.00 0.00 C ATOM 129 CD1 TRP A 448 2.976 -4.608 1.739 1.00 0.00 C ATOM 130 CD2 TRP A 448 3.226 -2.417 2.136 1.00 0.00 C ATOM 131 NE1 TRP A 448 3.420 -3.984 0.590 1.00 0.00 N ATOM 132 CE2 TRP A 448 3.601 -2.635 0.781 1.00 0.00 C ATOM 133 CE3 TRP A 448 3.284 -1.095 2.615 1.00 0.00 C ATOM 134 CZ2 TRP A 448 4.077 -1.600 -0.036 1.00 0.00 C ATOM 135 CZ3 TRP A 448 3.788 -0.061 1.812 1.00 0.00 C ATOM 136 CH2 TRP A 448 4.252 -0.320 0.517 1.00 0.00 C ATOM 0 H TRP A 448 3.966 -5.643 4.559 1.00 0.00 H new ATOM 0 HA TRP A 448 3.986 -2.970 5.137 1.00 0.00 H new ATOM 0 HB2 TRP A 448 1.880 -4.928 4.123 1.00 0.00 H new ATOM 0 HB3 TRP A 448 1.495 -3.225 4.271 1.00 0.00 H new ATOM 0 HD1 TRP A 448 2.773 -5.664 1.838 1.00 0.00 H new ATOM 0 HE1 TRP A 448 3.593 -4.465 -0.293 1.00 0.00 H new ATOM 0 HE3 TRP A 448 2.936 -0.874 3.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 448 4.306 -1.784 -1.075 1.00 0.00 H new ATOM 0 HZ3 TRP A 448 3.818 0.947 2.198 1.00 0.00 H new ATOM 0 HH2 TRP A 448 4.740 0.457 -0.052 1.00 0.00 H new ATOM 147 N SER A 449 2.353 -2.322 6.931 1.00 0.00 N ATOM 148 CA SER A 449 1.516 -1.993 8.071 1.00 0.00 C ATOM 149 C SER A 449 0.060 -2.209 7.607 1.00 0.00 C ATOM 150 O SER A 449 -0.207 -2.349 6.400 1.00 0.00 O ATOM 151 CB SER A 449 1.762 -0.543 8.511 1.00 0.00 C ATOM 152 OG SER A 449 2.895 -0.474 9.360 1.00 0.00 O ATOM 0 H SER A 449 2.824 -1.527 6.500 1.00 0.00 H new ATOM 0 HA SER A 449 1.740 -2.618 8.935 1.00 0.00 H new ATOM 0 HB2 SER A 449 1.915 0.089 7.636 1.00 0.00 H new ATOM 0 HB3 SER A 449 0.885 -0.160 9.032 1.00 0.00 H new ATOM 0 HG SER A 449 3.043 0.456 9.633 1.00 0.00 H new ATOM 158 N PRO A 450 -0.902 -2.263 8.537 1.00 0.00 N ATOM 159 CA PRO A 450 -2.295 -2.453 8.177 1.00 0.00 C ATOM 160 C PRO A 450 -2.764 -1.245 7.367 1.00 0.00 C ATOM 161 O PRO A 450 -2.181 -0.155 7.453 1.00 0.00 O ATOM 162 CB PRO A 450 -3.051 -2.599 9.501 1.00 0.00 C ATOM 163 CG PRO A 450 -2.165 -1.837 10.479 1.00 0.00 C ATOM 164 CD PRO A 450 -0.760 -2.126 9.972 1.00 0.00 C ATOM 0 HA PRO A 450 -2.465 -3.333 7.557 1.00 0.00 H new ATOM 0 HB2 PRO A 450 -4.052 -2.172 9.445 1.00 0.00 H new ATOM 0 HB3 PRO A 450 -3.166 -3.644 9.789 1.00 0.00 H new ATOM 0 HG2 PRO A 450 -2.384 -0.769 10.473 1.00 0.00 H new ATOM 0 HG3 PRO A 450 -2.303 -2.185 11.503 1.00 0.00 H new ATOM 0 HD2 PRO A 450 -0.074 -1.317 10.226 1.00 0.00 H new ATOM 0 HD3 PRO A 450 -0.359 -3.036 10.418 1.00 0.00 H new ATOM 172 N TRP A 451 -3.774 -1.462 6.531 1.00 0.00 N ATOM 173 CA TRP A 451 -4.329 -0.399 5.718 1.00 0.00 C ATOM 174 C TRP A 451 -4.997 0.627 6.626 1.00 0.00 C ATOM 175 O TRP A 451 -5.422 0.316 7.741 1.00 0.00 O ATOM 176 CB TRP A 451 -5.358 -0.989 4.748 1.00 0.00 C ATOM 177 CG TRP A 451 -4.782 -1.730 3.583 1.00 0.00 C ATOM 178 CD1 TRP A 451 -4.930 -3.047 3.324 1.00 0.00 C ATOM 179 CD2 TRP A 451 -4.052 -1.189 2.446 1.00 0.00 C ATOM 180 NE1 TRP A 451 -4.319 -3.361 2.126 1.00 0.00 N ATOM 181 CE2 TRP A 451 -3.781 -2.240 1.525 1.00 0.00 C ATOM 182 CE3 TRP A 451 -3.632 0.105 2.092 1.00 0.00 C ATOM 183 CZ2 TRP A 451 -3.098 -2.009 0.320 1.00 0.00 C ATOM 184 CZ3 TRP A 451 -2.972 0.360 0.880 1.00 0.00 C ATOM 185 CH2 TRP A 451 -2.679 -0.701 0.010 1.00 0.00 C ATOM 0 H TRP A 451 -4.222 -2.369 6.402 1.00 0.00 H new ATOM 0 HA TRP A 451 -3.537 0.086 5.147 1.00 0.00 H new ATOM 0 HB2 TRP A 451 -6.010 -1.665 5.302 1.00 0.00 H new ATOM 0 HB3 TRP A 451 -5.984 -0.180 4.371 1.00 0.00 H new ATOM 0 HD1 TRP A 451 -5.449 -3.750 3.959 1.00 0.00 H new ATOM 0 HE1 TRP A 451 -4.271 -4.302 1.735 1.00 0.00 H new ATOM 0 HE3 TRP A 451 -3.822 0.924 2.770 1.00 0.00 H new ATOM 0 HZ2 TRP A 451 -2.897 -2.824 -0.360 1.00 0.00 H new ATOM 0 HZ3 TRP A 451 -2.691 1.369 0.618 1.00 0.00 H new ATOM 0 HH2 TRP A 451 -2.130 -0.514 -0.901 1.00 0.00 H new ATOM 196 N SER A 452 -5.080 1.863 6.157 1.00 0.00 N ATOM 197 CA SER A 452 -5.709 2.956 6.846 1.00 0.00 C ATOM 198 C SER A 452 -7.205 2.794 6.633 1.00 0.00 C ATOM 199 O SER A 452 -7.680 1.795 6.081 1.00 0.00 O ATOM 200 CB SER A 452 -5.238 4.249 6.168 1.00 0.00 C ATOM 201 OG SER A 452 -5.730 4.309 4.830 1.00 0.00 O ATOM 0 H SER A 452 -4.694 2.132 5.252 1.00 0.00 H new ATOM 0 HA SER A 452 -5.469 2.980 7.909 1.00 0.00 H new ATOM 0 HB2 SER A 452 -5.589 5.113 6.732 1.00 0.00 H new ATOM 0 HB3 SER A 452 -4.149 4.291 6.165 1.00 0.00 H new ATOM 0 HG SER A 452 -6.672 4.578 4.840 1.00 0.00 H new ATOM 207 N ALA A 453 -7.965 3.781 7.087 1.00 0.00 N ATOM 208 CA ALA A 453 -9.380 3.739 6.835 1.00 0.00 C ATOM 209 C ALA A 453 -9.507 4.020 5.329 1.00 0.00 C ATOM 210 O ALA A 453 -8.616 4.642 4.716 1.00 0.00 O ATOM 211 CB ALA A 453 -10.047 4.814 7.664 1.00 0.00 C ATOM 0 H ALA A 453 -7.632 4.589 7.612 1.00 0.00 H new ATOM 0 HA ALA A 453 -9.852 2.793 7.098 1.00 0.00 H new ATOM 0 HB1 ALA A 453 -11.122 4.797 7.485 1.00 0.00 H new ATOM 0 HB2 ALA A 453 -9.852 4.632 8.721 1.00 0.00 H new ATOM 0 HB3 ALA A 453 -9.648 5.789 7.384 1.00 0.00 H new ATOM 217 N CYS A 454 -10.588 3.546 4.725 1.00 0.00 N ATOM 218 CA CYS A 454 -10.847 3.735 3.315 1.00 0.00 C ATOM 219 C CYS A 454 -11.042 5.224 3.060 1.00 0.00 C ATOM 220 O CYS A 454 -11.736 5.899 3.820 1.00 0.00 O ATOM 221 CB CYS A 454 -12.130 2.998 2.935 1.00 0.00 C ATOM 222 SG CYS A 454 -12.291 2.527 1.204 1.00 0.00 S ATOM 0 H CYS A 454 -11.313 3.016 5.209 1.00 0.00 H new ATOM 0 HA CYS A 454 -10.015 3.351 2.725 1.00 0.00 H new ATOM 0 HB2 CYS A 454 -12.201 2.097 3.544 1.00 0.00 H new ATOM 0 HB3 CYS A 454 -12.979 3.629 3.199 1.00 0.00 H new ATOM 227 N SER A 455 -10.466 5.729 1.972 1.00 0.00 N ATOM 228 CA SER A 455 -10.603 7.133 1.600 1.00 0.00 C ATOM 229 C SER A 455 -12.094 7.431 1.379 1.00 0.00 C ATOM 230 O SER A 455 -12.530 8.564 1.628 1.00 0.00 O ATOM 231 CB SER A 455 -9.739 7.430 0.367 1.00 0.00 C ATOM 232 OG SER A 455 -9.891 8.752 -0.104 1.00 0.00 O ATOM 0 H SER A 455 -9.896 5.181 1.328 1.00 0.00 H new ATOM 0 HA SER A 455 -10.244 7.791 2.392 1.00 0.00 H new ATOM 0 HB2 SER A 455 -8.692 7.255 0.613 1.00 0.00 H new ATOM 0 HB3 SER A 455 -10.000 6.733 -0.430 1.00 0.00 H new ATOM 0 HG SER A 455 -9.319 8.888 -0.888 1.00 0.00 H new ATOM 238 N SER A 456 -12.871 6.452 0.890 1.00 0.00 N ATOM 239 CA SER A 456 -14.297 6.664 0.702 1.00 0.00 C ATOM 240 C SER A 456 -14.970 6.057 1.916 1.00 0.00 C ATOM 241 O SER A 456 -14.867 4.856 2.172 1.00 0.00 O ATOM 242 CB SER A 456 -14.824 6.082 -0.600 1.00 0.00 C ATOM 243 OG SER A 456 -15.571 7.038 -1.307 1.00 0.00 O ATOM 0 H SER A 456 -12.535 5.526 0.625 1.00 0.00 H new ATOM 0 HA SER A 456 -14.515 7.729 0.617 1.00 0.00 H new ATOM 0 HB2 SER A 456 -13.991 5.738 -1.213 1.00 0.00 H new ATOM 0 HB3 SER A 456 -15.445 5.211 -0.389 1.00 0.00 H new ATOM 0 HG SER A 456 -15.349 6.987 -2.260 1.00 0.00 H new ATOM 249 N SER A 457 -15.615 6.909 2.699 1.00 0.00 N ATOM 250 CA SER A 457 -16.313 6.492 3.895 1.00 0.00 C ATOM 251 C SER A 457 -17.539 5.641 3.531 1.00 0.00 C ATOM 252 O SER A 457 -17.961 4.816 4.341 1.00 0.00 O ATOM 253 CB SER A 457 -16.676 7.741 4.700 1.00 0.00 C ATOM 254 OG SER A 457 -15.535 8.573 4.885 1.00 0.00 O ATOM 0 H SER A 457 -15.666 7.911 2.518 1.00 0.00 H new ATOM 0 HA SER A 457 -15.677 5.858 4.513 1.00 0.00 H new ATOM 0 HB2 SER A 457 -17.458 8.298 4.183 1.00 0.00 H new ATOM 0 HB3 SER A 457 -17.080 7.450 5.669 1.00 0.00 H new ATOM 0 HG SER A 457 -15.789 9.367 5.400 1.00 0.00 H new ATOM 260 N THR A 458 -18.045 5.775 2.303 1.00 0.00 N ATOM 261 CA THR A 458 -19.210 5.094 1.755 1.00 0.00 C ATOM 262 C THR A 458 -18.810 4.026 0.731 1.00 0.00 C ATOM 263 O THR A 458 -17.627 3.851 0.429 1.00 0.00 O ATOM 264 CB THR A 458 -20.080 6.193 1.107 1.00 0.00 C ATOM 265 OG1 THR A 458 -19.273 7.037 0.297 1.00 0.00 O ATOM 266 CG2 THR A 458 -20.768 7.061 2.162 1.00 0.00 C ATOM 0 H THR A 458 -17.620 6.405 1.623 1.00 0.00 H new ATOM 0 HA THR A 458 -19.756 4.565 2.536 1.00 0.00 H new ATOM 0 HB THR A 458 -20.839 5.692 0.506 1.00 0.00 H new ATOM 0 HG1 THR A 458 -19.832 7.730 -0.112 1.00 0.00 H new ATOM 0 HG21 THR A 458 -21.371 7.823 1.669 1.00 0.00 H new ATOM 0 HG22 THR A 458 -21.409 6.437 2.785 1.00 0.00 H new ATOM 0 HG23 THR A 458 -20.014 7.542 2.785 1.00 0.00 H new ATOM 274 N CYS A 459 -19.795 3.334 0.147 1.00 0.00 N ATOM 275 CA CYS A 459 -19.605 2.290 -0.864 1.00 0.00 C ATOM 276 C CYS A 459 -19.008 2.810 -2.175 1.00 0.00 C ATOM 277 O CYS A 459 -18.811 2.041 -3.123 1.00 0.00 O ATOM 278 CB CYS A 459 -20.931 1.567 -1.129 1.00 0.00 C ATOM 279 SG CYS A 459 -21.654 0.751 0.315 1.00 0.00 S ATOM 0 H CYS A 459 -20.777 3.491 0.373 1.00 0.00 H new ATOM 0 HA CYS A 459 -18.876 1.590 -0.455 1.00 0.00 H new ATOM 0 HB2 CYS A 459 -21.650 2.288 -1.519 1.00 0.00 H new ATOM 0 HB3 CYS A 459 -20.772 0.822 -1.908 1.00 0.00 H new ATOM 284 N GLU A 460 -18.773 4.115 -2.271 1.00 0.00 N ATOM 285 CA GLU A 460 -18.179 4.718 -3.438 1.00 0.00 C ATOM 286 C GLU A 460 -16.743 4.233 -3.532 1.00 0.00 C ATOM 287 O GLU A 460 -16.127 3.815 -2.540 1.00 0.00 O ATOM 288 CB GLU A 460 -18.205 6.242 -3.301 1.00 0.00 C ATOM 289 CG GLU A 460 -19.636 6.752 -3.409 1.00 0.00 C ATOM 290 CD GLU A 460 -19.749 7.895 -4.401 1.00 0.00 C ATOM 291 OE1 GLU A 460 -19.855 7.583 -5.613 1.00 0.00 O ATOM 292 OE2 GLU A 460 -19.760 9.072 -3.977 1.00 0.00 O ATOM 0 H GLU A 460 -18.995 4.780 -1.530 1.00 0.00 H new ATOM 0 HA GLU A 460 -18.733 4.441 -4.335 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -17.777 6.536 -2.343 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -17.589 6.695 -4.078 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -20.291 5.937 -3.716 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -19.979 7.085 -2.429 1.00 0.00 H new ATOM 299 N LYS A 461 -16.201 4.254 -4.744 1.00 0.00 N ATOM 300 CA LYS A 461 -14.817 3.827 -4.895 1.00 0.00 C ATOM 301 C LYS A 461 -13.956 4.893 -4.224 1.00 0.00 C ATOM 302 O LYS A 461 -14.319 6.065 -4.148 1.00 0.00 O ATOM 303 CB LYS A 461 -14.421 3.601 -6.365 1.00 0.00 C ATOM 304 CG LYS A 461 -15.163 2.419 -7.014 1.00 0.00 C ATOM 305 CD LYS A 461 -14.696 1.026 -6.559 1.00 0.00 C ATOM 306 CE LYS A 461 -13.473 0.477 -7.309 1.00 0.00 C ATOM 307 NZ LYS A 461 -13.715 0.231 -8.743 1.00 0.00 N ATOM 0 H LYS A 461 -16.672 4.548 -5.600 1.00 0.00 H new ATOM 0 HA LYS A 461 -14.669 2.856 -4.422 1.00 0.00 H new ATOM 0 HB2 LYS A 461 -14.626 4.508 -6.934 1.00 0.00 H new ATOM 0 HB3 LYS A 461 -13.347 3.424 -6.423 1.00 0.00 H new ATOM 0 HG2 LYS A 461 -16.227 2.516 -6.799 1.00 0.00 H new ATOM 0 HG3 LYS A 461 -15.048 2.488 -8.096 1.00 0.00 H new ATOM 0 HD2 LYS A 461 -14.463 1.066 -5.495 1.00 0.00 H new ATOM 0 HD3 LYS A 461 -15.522 0.325 -6.678 1.00 0.00 H new ATOM 0 HE2 LYS A 461 -12.648 1.182 -7.205 1.00 0.00 H new ATOM 0 HE3 LYS A 461 -13.158 -0.454 -6.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 461 -12.919 -0.307 -9.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 461 -14.593 -0.314 -8.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 461 -13.803 1.140 -9.241 1.00 0.00 H new ATOM 321 N GLY A 462 -12.788 4.477 -3.781 1.00 0.00 N ATOM 322 CA GLY A 462 -11.796 5.281 -3.094 1.00 0.00 C ATOM 323 C GLY A 462 -10.565 4.415 -2.943 1.00 0.00 C ATOM 324 O GLY A 462 -10.544 3.290 -3.441 1.00 0.00 O ATOM 0 H GLY A 462 -12.487 3.510 -3.898 1.00 0.00 H new ATOM 0 HA2 GLY A 462 -11.568 6.183 -3.662 1.00 0.00 H new ATOM 0 HA3 GLY A 462 -12.165 5.603 -2.120 1.00 0.00 H new ATOM 328 N LYS A 463 -9.553 4.878 -2.219 1.00 0.00 N ATOM 329 CA LYS A 463 -8.319 4.127 -2.012 1.00 0.00 C ATOM 330 C LYS A 463 -7.943 4.045 -0.549 1.00 0.00 C ATOM 331 O LYS A 463 -8.527 4.720 0.290 1.00 0.00 O ATOM 332 CB LYS A 463 -7.176 4.775 -2.814 1.00 0.00 C ATOM 333 CG LYS A 463 -7.405 4.711 -4.327 1.00 0.00 C ATOM 334 CD LYS A 463 -6.364 5.552 -5.066 1.00 0.00 C ATOM 335 CE LYS A 463 -6.614 5.489 -6.577 1.00 0.00 C ATOM 336 NZ LYS A 463 -7.607 6.484 -7.035 1.00 0.00 N ATOM 0 H LYS A 463 -9.564 5.787 -1.757 1.00 0.00 H new ATOM 0 HA LYS A 463 -8.487 3.109 -2.363 1.00 0.00 H new ATOM 0 HB2 LYS A 463 -7.070 5.817 -2.511 1.00 0.00 H new ATOM 0 HB3 LYS A 463 -6.238 4.275 -2.571 1.00 0.00 H new ATOM 0 HG2 LYS A 463 -7.350 3.676 -4.665 1.00 0.00 H new ATOM 0 HG3 LYS A 463 -8.406 5.071 -4.564 1.00 0.00 H new ATOM 0 HD2 LYS A 463 -6.411 6.586 -4.724 1.00 0.00 H new ATOM 0 HD3 LYS A 463 -5.362 5.187 -4.839 1.00 0.00 H new ATOM 0 HE2 LYS A 463 -5.674 5.652 -7.103 1.00 0.00 H new ATOM 0 HE3 LYS A 463 -6.959 4.490 -6.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 463 -7.737 6.397 -8.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 463 -8.514 6.315 -6.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 463 -7.269 7.441 -6.809 1.00 0.00 H new ATOM 350 N ARG A 464 -6.992 3.182 -0.228 1.00 0.00 N ATOM 351 CA ARG A 464 -6.469 2.998 1.119 1.00 0.00 C ATOM 352 C ARG A 464 -5.044 3.533 1.100 1.00 0.00 C ATOM 353 O ARG A 464 -4.475 3.746 0.027 1.00 0.00 O ATOM 354 CB ARG A 464 -6.475 1.521 1.528 1.00 0.00 C ATOM 355 CG ARG A 464 -7.753 0.772 1.180 1.00 0.00 C ATOM 356 CD ARG A 464 -7.775 -0.576 1.897 1.00 0.00 C ATOM 357 NE ARG A 464 -8.462 -1.618 1.114 1.00 0.00 N ATOM 358 CZ ARG A 464 -9.559 -2.300 1.473 1.00 0.00 C ATOM 359 NH1 ARG A 464 -10.102 -2.127 2.668 1.00 0.00 N ATOM 360 NH2 ARG A 464 -10.138 -3.150 0.633 1.00 0.00 N ATOM 0 H ARG A 464 -6.549 2.573 -0.916 1.00 0.00 H new ATOM 0 HA ARG A 464 -7.089 3.524 1.845 1.00 0.00 H new ATOM 0 HB2 ARG A 464 -5.634 1.021 1.047 1.00 0.00 H new ATOM 0 HB3 ARG A 464 -6.312 1.455 2.604 1.00 0.00 H new ATOM 0 HG2 ARG A 464 -8.622 1.363 1.470 1.00 0.00 H new ATOM 0 HG3 ARG A 464 -7.815 0.622 0.102 1.00 0.00 H new ATOM 0 HD2 ARG A 464 -6.752 -0.893 2.100 1.00 0.00 H new ATOM 0 HD3 ARG A 464 -8.271 -0.464 2.861 1.00 0.00 H new ATOM 0 HE ARG A 464 -8.061 -1.844 0.204 1.00 0.00 H new ATOM 0 HH11 ARG A 464 -9.686 -1.469 3.327 1.00 0.00 H new ATOM 0 HH12 ARG A 464 -10.937 -2.652 2.930 1.00 0.00 H new ATOM 0 HH21 ARG A 464 -9.749 -3.291 -0.299 1.00 0.00 H new ATOM 0 HH22 ARG A 464 -10.972 -3.662 0.920 1.00 0.00 H new ATOM 374 N MET A 465 -4.440 3.697 2.267 1.00 0.00 N ATOM 375 CA MET A 465 -3.086 4.188 2.458 1.00 0.00 C ATOM 376 C MET A 465 -2.402 3.209 3.412 1.00 0.00 C ATOM 377 O MET A 465 -3.065 2.661 4.298 1.00 0.00 O ATOM 378 CB MET A 465 -3.200 5.601 3.055 1.00 0.00 C ATOM 379 CG MET A 465 -1.892 6.342 3.317 1.00 0.00 C ATOM 380 SD MET A 465 -2.101 7.761 4.417 1.00 0.00 S ATOM 381 CE MET A 465 -2.737 8.979 3.243 1.00 0.00 C ATOM 0 H MET A 465 -4.904 3.480 3.149 1.00 0.00 H new ATOM 0 HA MET A 465 -2.503 4.250 1.539 1.00 0.00 H new ATOM 0 HB2 MET A 465 -3.805 6.207 2.381 1.00 0.00 H new ATOM 0 HB3 MET A 465 -3.745 5.530 3.996 1.00 0.00 H new ATOM 0 HG2 MET A 465 -1.170 5.652 3.754 1.00 0.00 H new ATOM 0 HG3 MET A 465 -1.475 6.681 2.369 1.00 0.00 H new ATOM 0 HE1 MET A 465 -2.922 9.921 3.760 1.00 0.00 H new ATOM 0 HE2 MET A 465 -2.005 9.137 2.451 1.00 0.00 H new ATOM 0 HE3 MET A 465 -3.668 8.615 2.809 1.00 0.00 H new ATOM 391 N ARG A 466 -1.126 2.896 3.197 1.00 0.00 N ATOM 392 CA ARG A 466 -0.350 2.003 4.057 1.00 0.00 C ATOM 393 C ARG A 466 1.114 2.337 3.866 1.00 0.00 C ATOM 394 O ARG A 466 1.501 2.836 2.812 1.00 0.00 O ATOM 395 CB ARG A 466 -0.583 0.513 3.769 1.00 0.00 C ATOM 396 CG ARG A 466 -0.042 0.062 2.406 1.00 0.00 C ATOM 397 CD ARG A 466 -0.242 -1.441 2.254 1.00 0.00 C ATOM 398 NE ARG A 466 0.161 -1.921 0.931 1.00 0.00 N ATOM 399 CZ ARG A 466 0.124 -3.190 0.516 1.00 0.00 C ATOM 400 NH1 ARG A 466 -0.198 -4.160 1.370 1.00 0.00 N ATOM 401 NH2 ARG A 466 0.402 -3.459 -0.754 1.00 0.00 N ATOM 0 H ARG A 466 -0.593 3.261 2.408 1.00 0.00 H new ATOM 0 HA ARG A 466 -0.675 2.162 5.085 1.00 0.00 H new ATOM 0 HB2 ARG A 466 -0.110 -0.079 4.553 1.00 0.00 H new ATOM 0 HB3 ARG A 466 -1.652 0.305 3.814 1.00 0.00 H new ATOM 0 HG2 ARG A 466 -0.557 0.591 1.605 1.00 0.00 H new ATOM 0 HG3 ARG A 466 1.016 0.309 2.322 1.00 0.00 H new ATOM 0 HD2 ARG A 466 0.334 -1.962 3.019 1.00 0.00 H new ATOM 0 HD3 ARG A 466 -1.291 -1.685 2.424 1.00 0.00 H new ATOM 0 HE ARG A 466 0.500 -1.225 0.267 1.00 0.00 H new ATOM 0 HH11 ARG A 466 -0.416 -3.934 2.340 1.00 0.00 H new ATOM 0 HH12 ARG A 466 -0.226 -5.129 1.054 1.00 0.00 H new ATOM 0 HH21 ARG A 466 0.639 -2.702 -1.396 1.00 0.00 H new ATOM 0 HH22 ARG A 466 0.379 -4.422 -1.088 1.00 0.00 H new ATOM 415 N GLN A 467 1.937 1.972 4.835 1.00 0.00 N ATOM 416 CA GLN A 467 3.365 2.215 4.800 1.00 0.00 C ATOM 417 C GLN A 467 4.106 1.026 5.402 1.00 0.00 C ATOM 418 O GLN A 467 3.503 0.157 6.033 1.00 0.00 O ATOM 419 CB GLN A 467 3.695 3.596 5.408 1.00 0.00 C ATOM 420 CG GLN A 467 2.884 4.054 6.639 1.00 0.00 C ATOM 421 CD GLN A 467 2.331 5.468 6.444 1.00 0.00 C ATOM 422 OE1 GLN A 467 3.015 6.463 6.662 1.00 0.00 O ATOM 423 NE2 GLN A 467 1.079 5.622 6.057 1.00 0.00 N ATOM 0 H GLN A 467 1.625 1.492 5.679 1.00 0.00 H new ATOM 0 HA GLN A 467 3.726 2.282 3.774 1.00 0.00 H new ATOM 0 HB2 GLN A 467 4.750 3.597 5.683 1.00 0.00 H new ATOM 0 HB3 GLN A 467 3.568 4.345 4.626 1.00 0.00 H new ATOM 0 HG2 GLN A 467 2.062 3.360 6.814 1.00 0.00 H new ATOM 0 HG3 GLN A 467 3.518 4.028 7.525 1.00 0.00 H new ATOM 0 HE21 GLN A 467 0.498 4.804 5.872 1.00 0.00 H new ATOM 0 HE22 GLN A 467 0.692 6.559 5.943 1.00 0.00 H new ATOM 432 N ARG A 468 5.406 0.940 5.154 1.00 0.00 N ATOM 433 CA ARG A 468 6.293 -0.118 5.651 1.00 0.00 C ATOM 434 C ARG A 468 7.653 0.494 5.975 1.00 0.00 C ATOM 435 O ARG A 468 7.859 1.681 5.716 1.00 0.00 O ATOM 436 CB ARG A 468 6.380 -1.275 4.628 1.00 0.00 C ATOM 437 CG ARG A 468 6.926 -0.846 3.261 1.00 0.00 C ATOM 438 CD ARG A 468 6.787 -1.923 2.177 1.00 0.00 C ATOM 439 NE ARG A 468 7.185 -1.415 0.849 1.00 0.00 N ATOM 440 CZ ARG A 468 7.066 -2.044 -0.330 1.00 0.00 C ATOM 441 NH1 ARG A 468 6.811 -3.345 -0.399 1.00 0.00 N ATOM 442 NH2 ARG A 468 7.168 -1.345 -1.456 1.00 0.00 N ATOM 0 H ARG A 468 5.895 1.627 4.581 1.00 0.00 H new ATOM 0 HA ARG A 468 5.894 -0.553 6.567 1.00 0.00 H new ATOM 0 HB2 ARG A 468 7.017 -2.061 5.034 1.00 0.00 H new ATOM 0 HB3 ARG A 468 5.388 -1.706 4.495 1.00 0.00 H new ATOM 0 HG2 ARG A 468 6.403 0.054 2.936 1.00 0.00 H new ATOM 0 HG3 ARG A 468 7.978 -0.582 3.366 1.00 0.00 H new ATOM 0 HD2 ARG A 468 7.404 -2.783 2.437 1.00 0.00 H new ATOM 0 HD3 ARG A 468 5.755 -2.271 2.139 1.00 0.00 H new ATOM 0 HE ARG A 468 7.596 -0.482 0.825 1.00 0.00 H new ATOM 0 HH11 ARG A 468 6.701 -3.889 0.457 1.00 0.00 H new ATOM 0 HH12 ARG A 468 6.725 -3.800 -1.308 1.00 0.00 H new ATOM 0 HH21 ARG A 468 7.335 -0.340 -1.419 1.00 0.00 H new ATOM 0 HH22 ARG A 468 7.079 -1.814 -2.357 1.00 0.00 H new ATOM 456 N MET A 469 8.586 -0.289 6.525 1.00 0.00 N ATOM 457 CA MET A 469 9.935 0.173 6.860 1.00 0.00 C ATOM 458 C MET A 469 10.944 -0.605 6.010 1.00 0.00 C ATOM 459 O MET A 469 10.806 -1.816 5.839 1.00 0.00 O ATOM 460 CB MET A 469 10.213 0.031 8.362 1.00 0.00 C ATOM 461 CG MET A 469 11.568 0.664 8.702 1.00 0.00 C ATOM 462 SD MET A 469 12.018 0.633 10.453 1.00 0.00 S ATOM 463 CE MET A 469 11.413 2.267 10.939 1.00 0.00 C ATOM 0 H MET A 469 8.424 -1.270 6.752 1.00 0.00 H new ATOM 0 HA MET A 469 10.029 1.235 6.633 1.00 0.00 H new ATOM 0 HB2 MET A 469 9.422 0.514 8.935 1.00 0.00 H new ATOM 0 HB3 MET A 469 10.212 -1.022 8.643 1.00 0.00 H new ATOM 0 HG2 MET A 469 12.344 0.149 8.135 1.00 0.00 H new ATOM 0 HG3 MET A 469 11.561 1.700 8.364 1.00 0.00 H new ATOM 0 HE1 MET A 469 11.607 2.426 12.000 1.00 0.00 H new ATOM 0 HE2 MET A 469 11.926 3.033 10.358 1.00 0.00 H new ATOM 0 HE3 MET A 469 10.341 2.328 10.753 1.00 0.00 H new ATOM 473 N LEU A 470 11.954 0.085 5.484 1.00 0.00 N ATOM 474 CA LEU A 470 13.016 -0.448 4.650 1.00 0.00 C ATOM 475 C LEU A 470 14.009 -1.149 5.572 1.00 0.00 C ATOM 476 O LEU A 470 14.683 -0.506 6.382 1.00 0.00 O ATOM 477 CB LEU A 470 13.633 0.702 3.826 1.00 0.00 C ATOM 478 CG LEU A 470 14.680 0.322 2.761 1.00 0.00 C ATOM 479 CD1 LEU A 470 16.021 -0.094 3.367 1.00 0.00 C ATOM 480 CD2 LEU A 470 14.172 -0.747 1.788 1.00 0.00 C ATOM 0 H LEU A 470 12.054 1.088 5.641 1.00 0.00 H new ATOM 0 HA LEU A 470 12.658 -1.180 3.926 1.00 0.00 H new ATOM 0 HB2 LEU A 470 12.822 1.234 3.328 1.00 0.00 H new ATOM 0 HB3 LEU A 470 14.096 1.404 4.520 1.00 0.00 H new ATOM 0 HG LEU A 470 14.849 1.235 2.190 1.00 0.00 H new ATOM 0 HD11 LEU A 470 16.717 -0.350 2.568 1.00 0.00 H new ATOM 0 HD12 LEU A 470 16.427 0.731 3.952 1.00 0.00 H new ATOM 0 HD13 LEU A 470 15.875 -0.960 4.013 1.00 0.00 H new ATOM 0 HD21 LEU A 470 14.950 -0.976 1.060 1.00 0.00 H new ATOM 0 HD22 LEU A 470 13.916 -1.650 2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 470 13.288 -0.376 1.269 1.00 0.00 H new ATOM 492 N LYS A 471 14.043 -2.480 5.505 1.00 0.00 N ATOM 493 CA LYS A 471 14.926 -3.325 6.304 1.00 0.00 C ATOM 494 C LYS A 471 16.335 -3.263 5.728 1.00 0.00 C ATOM 495 O LYS A 471 17.270 -2.951 6.463 1.00 0.00 O ATOM 496 CB LYS A 471 14.391 -4.761 6.335 1.00 0.00 C ATOM 497 CG LYS A 471 13.131 -4.869 7.194 1.00 0.00 C ATOM 498 CD LYS A 471 12.655 -6.312 7.369 1.00 0.00 C ATOM 499 CE LYS A 471 12.479 -7.073 6.052 1.00 0.00 C ATOM 500 NZ LYS A 471 11.718 -8.322 6.242 1.00 0.00 N ATOM 0 H LYS A 471 13.441 -3.012 4.877 1.00 0.00 H new ATOM 0 HA LYS A 471 14.959 -2.964 7.332 1.00 0.00 H new ATOM 0 HB2 LYS A 471 14.170 -5.091 5.320 1.00 0.00 H new ATOM 0 HB3 LYS A 471 15.159 -5.428 6.727 1.00 0.00 H new ATOM 0 HG2 LYS A 471 13.327 -4.434 8.174 1.00 0.00 H new ATOM 0 HG3 LYS A 471 12.334 -4.281 6.738 1.00 0.00 H new ATOM 0 HD2 LYS A 471 13.371 -6.847 7.993 1.00 0.00 H new ATOM 0 HD3 LYS A 471 11.706 -6.308 7.904 1.00 0.00 H new ATOM 0 HE2 LYS A 471 11.963 -6.439 5.331 1.00 0.00 H new ATOM 0 HE3 LYS A 471 13.458 -7.303 5.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 11.619 -8.810 5.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 12.223 -8.938 6.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 10.775 -8.100 6.620 1.00 0.00 H new ATOM 514 N ALA A 472 16.492 -3.552 4.435 1.00 0.00 N ATOM 515 CA ALA A 472 17.763 -3.521 3.724 1.00 0.00 C ATOM 516 C ALA A 472 17.501 -3.101 2.278 1.00 0.00 C ATOM 517 O ALA A 472 16.357 -3.062 1.830 1.00 0.00 O ATOM 518 CB ALA A 472 18.449 -4.892 3.796 1.00 0.00 C ATOM 0 H ALA A 472 15.710 -3.822 3.838 1.00 0.00 H new ATOM 0 HA ALA A 472 18.436 -2.800 4.187 1.00 0.00 H new ATOM 0 HB1 ALA A 472 19.397 -4.853 3.260 1.00 0.00 H new ATOM 0 HB2 ALA A 472 18.632 -5.153 4.838 1.00 0.00 H new ATOM 0 HB3 ALA A 472 17.806 -5.645 3.341 1.00 0.00 H new ATOM 524 N GLN A 473 18.555 -2.784 1.535 1.00 0.00 N ATOM 525 CA GLN A 473 18.497 -2.375 0.136 1.00 0.00 C ATOM 526 C GLN A 473 19.788 -2.883 -0.495 1.00 0.00 C ATOM 527 O GLN A 473 20.828 -2.904 0.172 1.00 0.00 O ATOM 528 CB GLN A 473 18.329 -0.848 0.039 1.00 0.00 C ATOM 529 CG GLN A 473 19.519 -0.060 0.600 1.00 0.00 C ATOM 530 CD GLN A 473 19.176 1.396 0.897 1.00 0.00 C ATOM 531 OE1 GLN A 473 18.867 1.745 2.035 1.00 0.00 O ATOM 532 NE2 GLN A 473 19.280 2.284 -0.075 1.00 0.00 N ATOM 0 H GLN A 473 19.506 -2.805 1.902 1.00 0.00 H new ATOM 0 HA GLN A 473 17.641 -2.792 -0.395 1.00 0.00 H new ATOM 0 HB2 GLN A 473 18.183 -0.573 -1.006 1.00 0.00 H new ATOM 0 HB3 GLN A 473 17.426 -0.556 0.575 1.00 0.00 H new ATOM 0 HG2 GLN A 473 19.868 -0.540 1.514 1.00 0.00 H new ATOM 0 HG3 GLN A 473 20.342 -0.096 -0.114 1.00 0.00 H new ATOM 0 HE21 GLN A 473 19.537 1.983 -1.015 1.00 0.00 H new ATOM 0 HE22 GLN A 473 19.103 3.271 0.114 1.00 0.00 H new ATOM 541 N LEU A 474 19.733 -3.359 -1.732 1.00 0.00 N ATOM 542 CA LEU A 474 20.895 -3.879 -2.434 1.00 0.00 C ATOM 543 C LEU A 474 21.839 -2.749 -2.836 1.00 0.00 C ATOM 544 O LEU A 474 23.033 -3.006 -2.985 1.00 0.00 O ATOM 545 CB LEU A 474 20.453 -4.693 -3.661 1.00 0.00 C ATOM 546 CG LEU A 474 20.088 -6.154 -3.322 1.00 0.00 C ATOM 547 CD1 LEU A 474 18.813 -6.327 -2.480 1.00 0.00 C ATOM 548 CD2 LEU A 474 19.941 -6.966 -4.612 1.00 0.00 C ATOM 0 H LEU A 474 18.873 -3.395 -2.279 1.00 0.00 H new ATOM 0 HA LEU A 474 21.440 -4.541 -1.761 1.00 0.00 H new ATOM 0 HB2 LEU A 474 19.592 -4.207 -4.120 1.00 0.00 H new ATOM 0 HB3 LEU A 474 21.254 -4.688 -4.400 1.00 0.00 H new ATOM 0 HG LEU A 474 20.911 -6.517 -2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 474 18.641 -7.387 -2.294 1.00 0.00 H new ATOM 0 HD12 LEU A 474 18.931 -5.807 -1.530 1.00 0.00 H new ATOM 0 HD13 LEU A 474 17.962 -5.910 -3.019 1.00 0.00 H new ATOM 0 HD21 LEU A 474 19.683 -7.996 -4.366 1.00 0.00 H new ATOM 0 HD22 LEU A 474 19.153 -6.532 -5.227 1.00 0.00 H new ATOM 0 HD23 LEU A 474 20.882 -6.949 -5.162 1.00 0.00 H new ATOM 560 N ASP A 475 21.353 -1.514 -2.975 1.00 0.00 N ATOM 561 CA ASP A 475 22.150 -0.351 -3.355 1.00 0.00 C ATOM 562 C ASP A 475 21.948 0.711 -2.289 1.00 0.00 C ATOM 563 O ASP A 475 20.902 1.351 -2.211 1.00 0.00 O ATOM 564 CB ASP A 475 21.729 0.137 -4.738 1.00 0.00 C ATOM 565 CG ASP A 475 22.680 1.191 -5.302 1.00 0.00 C ATOM 566 OD1 ASP A 475 23.210 2.028 -4.531 1.00 0.00 O ATOM 567 OD2 ASP A 475 22.917 1.155 -6.533 1.00 0.00 O ATOM 0 H ASP A 475 20.369 -1.292 -2.822 1.00 0.00 H new ATOM 0 HA ASP A 475 23.210 -0.598 -3.417 1.00 0.00 H new ATOM 0 HB2 ASP A 475 21.686 -0.711 -5.421 1.00 0.00 H new ATOM 0 HB3 ASP A 475 20.723 0.553 -4.682 1.00 0.00 H new ATOM 572 N LEU A 476 22.932 0.876 -1.411 1.00 0.00 N ATOM 573 CA LEU A 476 22.841 1.843 -0.321 1.00 0.00 C ATOM 574 C LEU A 476 22.786 3.297 -0.803 1.00 0.00 C ATOM 575 O LEU A 476 22.389 4.163 -0.016 1.00 0.00 O ATOM 576 CB LEU A 476 23.967 1.608 0.701 1.00 0.00 C ATOM 577 CG LEU A 476 23.743 0.450 1.700 1.00 0.00 C ATOM 578 CD1 LEU A 476 22.615 0.746 2.696 1.00 0.00 C ATOM 579 CD2 LEU A 476 23.516 -0.905 1.020 1.00 0.00 C ATOM 0 H LEU A 476 23.806 0.350 -1.433 1.00 0.00 H new ATOM 0 HA LEU A 476 21.887 1.675 0.178 1.00 0.00 H new ATOM 0 HB2 LEU A 476 24.892 1.418 0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 476 24.114 2.527 1.268 1.00 0.00 H new ATOM 0 HG LEU A 476 24.677 0.376 2.257 1.00 0.00 H new ATOM 0 HD11 LEU A 476 22.498 -0.099 3.375 1.00 0.00 H new ATOM 0 HD12 LEU A 476 22.860 1.641 3.268 1.00 0.00 H new ATOM 0 HD13 LEU A 476 21.683 0.907 2.153 1.00 0.00 H new ATOM 0 HD21 LEU A 476 23.366 -1.672 1.779 1.00 0.00 H new ATOM 0 HD22 LEU A 476 22.634 -0.849 0.382 1.00 0.00 H new ATOM 0 HD23 LEU A 476 24.386 -1.159 0.415 1.00 0.00 H new ATOM 591 N SER A 477 23.172 3.597 -2.045 1.00 0.00 N ATOM 592 CA SER A 477 23.137 4.953 -2.583 1.00 0.00 C ATOM 593 C SER A 477 21.807 5.273 -3.246 1.00 0.00 C ATOM 594 O SER A 477 21.408 6.439 -3.281 1.00 0.00 O ATOM 595 CB SER A 477 24.318 5.172 -3.528 1.00 0.00 C ATOM 596 OG SER A 477 25.522 5.048 -2.791 1.00 0.00 O ATOM 0 H SER A 477 23.518 2.902 -2.706 1.00 0.00 H new ATOM 0 HA SER A 477 23.232 5.651 -1.751 1.00 0.00 H new ATOM 0 HB2 SER A 477 24.294 4.442 -4.337 1.00 0.00 H new ATOM 0 HB3 SER A 477 24.256 6.159 -3.987 1.00 0.00 H new ATOM 0 HG SER A 477 26.287 5.185 -3.388 1.00 0.00 H new ATOM 602 N VAL A 478 21.087 4.258 -3.706 1.00 0.00 N ATOM 603 CA VAL A 478 19.800 4.392 -4.358 1.00 0.00 C ATOM 604 C VAL A 478 18.752 3.990 -3.316 1.00 0.00 C ATOM 605 O VAL A 478 18.601 2.799 -3.035 1.00 0.00 O ATOM 606 CB VAL A 478 19.834 3.518 -5.613 1.00 0.00 C ATOM 607 CG1 VAL A 478 18.468 3.377 -6.303 1.00 0.00 C ATOM 608 CG2 VAL A 478 20.843 4.079 -6.629 1.00 0.00 C ATOM 0 H VAL A 478 21.397 3.289 -3.631 1.00 0.00 H new ATOM 0 HA VAL A 478 19.554 5.399 -4.695 1.00 0.00 H new ATOM 0 HB VAL A 478 20.133 2.526 -5.273 1.00 0.00 H new ATOM 0 HG11 VAL A 478 18.569 2.744 -7.185 1.00 0.00 H new ATOM 0 HG12 VAL A 478 17.756 2.925 -5.612 1.00 0.00 H new ATOM 0 HG13 VAL A 478 18.108 4.361 -6.602 1.00 0.00 H new ATOM 0 HG21 VAL A 478 20.856 3.446 -7.516 1.00 0.00 H new ATOM 0 HG22 VAL A 478 20.552 5.091 -6.909 1.00 0.00 H new ATOM 0 HG23 VAL A 478 21.837 4.097 -6.182 1.00 0.00 H new ATOM 618 N PRO A 479 18.077 4.953 -2.665 1.00 0.00 N ATOM 619 CA PRO A 479 17.079 4.642 -1.660 1.00 0.00 C ATOM 620 C PRO A 479 15.866 3.957 -2.273 1.00 0.00 C ATOM 621 O PRO A 479 15.674 3.940 -3.492 1.00 0.00 O ATOM 622 CB PRO A 479 16.693 5.979 -1.030 1.00 0.00 C ATOM 623 CG PRO A 479 16.945 6.987 -2.146 1.00 0.00 C ATOM 624 CD PRO A 479 18.145 6.392 -2.882 1.00 0.00 C ATOM 0 HA PRO A 479 17.472 3.947 -0.918 1.00 0.00 H new ATOM 0 HB2 PRO A 479 15.651 5.986 -0.711 1.00 0.00 H new ATOM 0 HB3 PRO A 479 17.297 6.197 -0.149 1.00 0.00 H new ATOM 0 HG2 PRO A 479 16.080 7.089 -2.801 1.00 0.00 H new ATOM 0 HG3 PRO A 479 17.165 7.979 -1.752 1.00 0.00 H new ATOM 0 HD2 PRO A 479 18.107 6.628 -3.945 1.00 0.00 H new ATOM 0 HD3 PRO A 479 19.080 6.801 -2.498 1.00 0.00 H new ATOM 632 N CYS A 480 15.011 3.457 -1.389 1.00 0.00 N ATOM 633 CA CYS A 480 13.786 2.767 -1.710 1.00 0.00 C ATOM 634 C CYS A 480 12.625 3.571 -1.114 1.00 0.00 C ATOM 635 O CYS A 480 12.101 3.203 -0.061 1.00 0.00 O ATOM 636 CB CYS A 480 13.895 1.349 -1.143 1.00 0.00 C ATOM 637 SG CYS A 480 15.271 0.361 -1.793 1.00 0.00 S ATOM 0 H CYS A 480 15.168 3.530 -0.384 1.00 0.00 H new ATOM 0 HA CYS A 480 13.608 2.683 -2.782 1.00 0.00 H new ATOM 0 HB2 CYS A 480 13.996 1.415 -0.060 1.00 0.00 H new ATOM 0 HB3 CYS A 480 12.963 0.821 -1.345 1.00 0.00 H new ATOM 642 N PRO A 481 12.205 4.665 -1.773 1.00 0.00 N ATOM 643 CA PRO A 481 11.124 5.533 -1.318 1.00 0.00 C ATOM 644 C PRO A 481 9.736 4.884 -1.343 1.00 0.00 C ATOM 645 O PRO A 481 8.791 5.491 -0.834 1.00 0.00 O ATOM 646 CB PRO A 481 11.172 6.754 -2.238 1.00 0.00 C ATOM 647 CG PRO A 481 11.750 6.178 -3.527 1.00 0.00 C ATOM 648 CD PRO A 481 12.765 5.177 -3.014 1.00 0.00 C ATOM 0 HA PRO A 481 11.275 5.782 -0.268 1.00 0.00 H new ATOM 0 HB2 PRO A 481 10.182 7.183 -2.394 1.00 0.00 H new ATOM 0 HB3 PRO A 481 11.801 7.545 -1.830 1.00 0.00 H new ATOM 0 HG2 PRO A 481 10.983 5.701 -4.138 1.00 0.00 H new ATOM 0 HG3 PRO A 481 12.215 6.948 -4.143 1.00 0.00 H new ATOM 0 HD2 PRO A 481 12.925 4.374 -3.734 1.00 0.00 H new ATOM 0 HD3 PRO A 481 13.732 5.650 -2.844 1.00 0.00 H new ATOM 656 N ASP A 482 9.582 3.667 -1.880 1.00 0.00 N ATOM 657 CA ASP A 482 8.320 2.914 -1.975 1.00 0.00 C ATOM 658 C ASP A 482 7.874 2.359 -0.619 1.00 0.00 C ATOM 659 O ASP A 482 7.367 1.245 -0.470 1.00 0.00 O ATOM 660 CB ASP A 482 8.426 1.828 -3.051 1.00 0.00 C ATOM 661 CG ASP A 482 8.243 2.457 -4.431 1.00 0.00 C ATOM 662 OD1 ASP A 482 7.172 3.074 -4.639 1.00 0.00 O ATOM 663 OD2 ASP A 482 9.195 2.439 -5.249 1.00 0.00 O ATOM 0 H ASP A 482 10.369 3.155 -2.279 1.00 0.00 H new ATOM 0 HA ASP A 482 7.535 3.606 -2.281 1.00 0.00 H new ATOM 0 HB2 ASP A 482 9.396 1.335 -2.990 1.00 0.00 H new ATOM 0 HB3 ASP A 482 7.668 1.062 -2.885 1.00 0.00 H new ATOM 668 N THR A 483 8.077 3.164 0.406 1.00 0.00 N ATOM 669 CA THR A 483 7.746 2.932 1.789 1.00 0.00 C ATOM 670 C THR A 483 6.257 3.083 2.031 1.00 0.00 C ATOM 671 O THR A 483 5.813 2.789 3.132 1.00 0.00 O ATOM 672 CB THR A 483 8.576 3.913 2.636 1.00 0.00 C ATOM 673 OG1 THR A 483 8.232 5.271 2.410 1.00 0.00 O ATOM 674 CG2 THR A 483 10.070 3.813 2.320 1.00 0.00 C ATOM 0 H THR A 483 8.516 4.075 0.275 1.00 0.00 H new ATOM 0 HA THR A 483 7.989 1.908 2.074 1.00 0.00 H new ATOM 0 HB THR A 483 8.357 3.627 3.665 1.00 0.00 H new ATOM 0 HG1 THR A 483 8.788 5.848 2.974 1.00 0.00 H new ATOM 0 HG21 THR A 483 10.621 4.521 2.939 1.00 0.00 H new ATOM 0 HG22 THR A 483 10.419 2.802 2.528 1.00 0.00 H new ATOM 0 HG23 THR A 483 10.236 4.045 1.268 1.00 0.00 H new ATOM 682 N GLN A 484 5.493 3.493 1.019 1.00 0.00 N ATOM 683 CA GLN A 484 4.068 3.693 1.072 1.00 0.00 C ATOM 684 C GLN A 484 3.422 3.104 -0.170 1.00 0.00 C ATOM 685 O GLN A 484 4.046 2.999 -1.235 1.00 0.00 O ATOM 686 CB GLN A 484 3.747 5.186 1.240 1.00 0.00 C ATOM 687 CG GLN A 484 4.498 6.111 0.270 1.00 0.00 C ATOM 688 CD GLN A 484 4.132 7.562 0.537 1.00 0.00 C ATOM 689 OE1 GLN A 484 3.400 8.179 -0.233 1.00 0.00 O ATOM 690 NE2 GLN A 484 4.592 8.123 1.641 1.00 0.00 N ATOM 0 H GLN A 484 5.883 3.702 0.100 1.00 0.00 H new ATOM 0 HA GLN A 484 3.655 3.176 1.938 1.00 0.00 H new ATOM 0 HB2 GLN A 484 2.675 5.332 1.105 1.00 0.00 H new ATOM 0 HB3 GLN A 484 3.983 5.483 2.262 1.00 0.00 H new ATOM 0 HG2 GLN A 484 5.573 5.973 0.384 1.00 0.00 H new ATOM 0 HG3 GLN A 484 4.250 5.849 -0.759 1.00 0.00 H new ATOM 0 HE21 GLN A 484 5.199 7.594 2.267 1.00 0.00 H new ATOM 0 HE22 GLN A 484 4.341 9.085 1.867 1.00 0.00 H new ATOM 699 N ASP A 485 2.154 2.737 -0.035 1.00 0.00 N ATOM 700 CA ASP A 485 1.357 2.165 -1.125 1.00 0.00 C ATOM 701 C ASP A 485 -0.108 2.567 -1.039 1.00 0.00 C ATOM 702 O ASP A 485 -0.577 2.932 0.038 1.00 0.00 O ATOM 703 CB ASP A 485 1.457 0.651 -1.085 1.00 0.00 C ATOM 704 CG ASP A 485 0.909 0.001 -2.343 1.00 0.00 C ATOM 705 OD1 ASP A 485 1.160 0.546 -3.448 1.00 0.00 O ATOM 706 OD2 ASP A 485 0.325 -1.094 -2.220 1.00 0.00 O ATOM 0 H ASP A 485 1.640 2.827 0.841 1.00 0.00 H new ATOM 0 HA ASP A 485 1.758 2.554 -2.061 1.00 0.00 H new ATOM 0 HB2 ASP A 485 2.500 0.362 -0.955 1.00 0.00 H new ATOM 0 HB3 ASP A 485 0.912 0.276 -0.219 1.00 0.00 H new ATOM 711 N PHE A 486 -0.849 2.501 -2.147 1.00 0.00 N ATOM 712 CA PHE A 486 -2.251 2.882 -2.194 1.00 0.00 C ATOM 713 C PHE A 486 -2.959 1.927 -3.138 1.00 0.00 C ATOM 714 O PHE A 486 -2.495 1.781 -4.266 1.00 0.00 O ATOM 715 CB PHE A 486 -2.385 4.315 -2.743 1.00 0.00 C ATOM 716 CG PHE A 486 -1.836 5.421 -1.859 1.00 0.00 C ATOM 717 CD1 PHE A 486 -0.454 5.710 -1.839 1.00 0.00 C ATOM 718 CD2 PHE A 486 -2.720 6.189 -1.083 1.00 0.00 C ATOM 719 CE1 PHE A 486 0.047 6.732 -1.012 1.00 0.00 C ATOM 720 CE2 PHE A 486 -2.220 7.212 -0.257 1.00 0.00 C ATOM 721 CZ PHE A 486 -0.839 7.473 -0.211 1.00 0.00 C ATOM 0 H PHE A 486 -0.483 2.178 -3.043 1.00 0.00 H new ATOM 0 HA PHE A 486 -2.685 2.841 -1.195 1.00 0.00 H new ATOM 0 HB2 PHE A 486 -1.878 4.362 -3.707 1.00 0.00 H new ATOM 0 HB3 PHE A 486 -3.441 4.515 -2.928 1.00 0.00 H new ATOM 0 HD1 PHE A 486 0.222 5.143 -2.462 1.00 0.00 H new ATOM 0 HD2 PHE A 486 -3.782 5.994 -1.121 1.00 0.00 H new ATOM 0 HE1 PHE A 486 1.105 6.946 -0.993 1.00 0.00 H new ATOM 0 HE2 PHE A 486 -2.899 7.799 0.344 1.00 0.00 H new ATOM 0 HZ PHE A 486 -0.458 8.245 0.441 1.00 0.00 H new ATOM 731 N GLN A 487 -4.002 1.225 -2.690 1.00 0.00 N ATOM 732 CA GLN A 487 -4.794 0.286 -3.493 1.00 0.00 C ATOM 733 C GLN A 487 -6.270 0.721 -3.405 1.00 0.00 C ATOM 734 O GLN A 487 -6.643 1.365 -2.417 1.00 0.00 O ATOM 735 CB GLN A 487 -4.589 -1.171 -3.021 1.00 0.00 C ATOM 736 CG GLN A 487 -3.230 -1.836 -3.319 1.00 0.00 C ATOM 737 CD GLN A 487 -2.813 -1.844 -4.786 1.00 0.00 C ATOM 738 OE1 GLN A 487 -2.896 -2.842 -5.504 1.00 0.00 O ATOM 739 NE2 GLN A 487 -2.294 -0.735 -5.259 1.00 0.00 N ATOM 0 H GLN A 487 -4.331 1.296 -1.727 1.00 0.00 H new ATOM 0 HA GLN A 487 -4.468 0.310 -4.533 1.00 0.00 H new ATOM 0 HB2 GLN A 487 -4.747 -1.200 -1.943 1.00 0.00 H new ATOM 0 HB3 GLN A 487 -5.369 -1.783 -3.474 1.00 0.00 H new ATOM 0 HG2 GLN A 487 -2.460 -1.323 -2.743 1.00 0.00 H new ATOM 0 HG3 GLN A 487 -3.263 -2.866 -2.963 1.00 0.00 H new ATOM 0 HE21 GLN A 487 -2.226 0.091 -4.664 1.00 0.00 H new ATOM 0 HE22 GLN A 487 -1.959 -0.699 -6.222 1.00 0.00 H new ATOM 748 N PRO A 488 -7.118 0.388 -4.400 1.00 0.00 N ATOM 749 CA PRO A 488 -8.531 0.762 -4.408 1.00 0.00 C ATOM 750 C PRO A 488 -9.295 0.039 -3.295 1.00 0.00 C ATOM 751 O PRO A 488 -8.921 -1.055 -2.873 1.00 0.00 O ATOM 752 CB PRO A 488 -9.051 0.400 -5.800 1.00 0.00 C ATOM 753 CG PRO A 488 -8.149 -0.759 -6.201 1.00 0.00 C ATOM 754 CD PRO A 488 -6.801 -0.360 -5.609 1.00 0.00 C ATOM 0 HA PRO A 488 -8.672 1.825 -4.212 1.00 0.00 H new ATOM 0 HB2 PRO A 488 -10.101 0.107 -5.777 1.00 0.00 H new ATOM 0 HB3 PRO A 488 -8.968 1.237 -6.494 1.00 0.00 H new ATOM 0 HG2 PRO A 488 -8.504 -1.707 -5.796 1.00 0.00 H new ATOM 0 HG3 PRO A 488 -8.097 -0.875 -7.284 1.00 0.00 H new ATOM 0 HD2 PRO A 488 -6.196 -1.238 -5.381 1.00 0.00 H new ATOM 0 HD3 PRO A 488 -6.229 0.248 -6.309 1.00 0.00 H new ATOM 762 N CYS A 489 -10.387 0.640 -2.832 1.00 0.00 N ATOM 763 CA CYS A 489 -11.251 0.166 -1.771 1.00 0.00 C ATOM 764 C CYS A 489 -12.661 0.721 -1.980 1.00 0.00 C ATOM 765 O CYS A 489 -12.934 1.463 -2.934 1.00 0.00 O ATOM 766 CB CYS A 489 -10.585 0.675 -0.482 1.00 0.00 C ATOM 767 SG CYS A 489 -11.447 0.679 1.108 1.00 0.00 S ATOM 0 H CYS A 489 -10.707 1.528 -3.217 1.00 0.00 H new ATOM 0 HA CYS A 489 -11.366 -0.917 -1.738 1.00 0.00 H new ATOM 0 HB2 CYS A 489 -9.677 0.088 -0.345 1.00 0.00 H new ATOM 0 HB3 CYS A 489 -10.275 1.702 -0.673 1.00 0.00 H new ATOM 772 N MET A 490 -13.575 0.317 -1.113 1.00 0.00 N ATOM 773 CA MET A 490 -14.983 0.672 -0.996 1.00 0.00 C ATOM 774 C MET A 490 -15.248 0.664 0.513 1.00 0.00 C ATOM 775 O MET A 490 -14.605 -0.113 1.222 1.00 0.00 O ATOM 776 CB MET A 490 -15.887 -0.356 -1.683 1.00 0.00 C ATOM 777 CG MET A 490 -15.966 -0.106 -3.191 1.00 0.00 C ATOM 778 SD MET A 490 -16.807 -1.387 -4.158 1.00 0.00 S ATOM 779 CE MET A 490 -18.298 -1.653 -3.158 1.00 0.00 C ATOM 0 H MET A 490 -13.317 -0.349 -0.385 1.00 0.00 H new ATOM 0 HA MET A 490 -15.195 1.630 -1.471 1.00 0.00 H new ATOM 0 HB2 MET A 490 -15.506 -1.360 -1.498 1.00 0.00 H new ATOM 0 HB3 MET A 490 -16.887 -0.310 -1.252 1.00 0.00 H new ATOM 0 HG2 MET A 490 -16.477 0.842 -3.357 1.00 0.00 H new ATOM 0 HG3 MET A 490 -14.952 0.006 -3.575 1.00 0.00 H new ATOM 0 HE1 MET A 490 -18.999 -2.280 -3.709 1.00 0.00 H new ATOM 0 HE2 MET A 490 -18.027 -2.146 -2.224 1.00 0.00 H new ATOM 0 HE3 MET A 490 -18.765 -0.693 -2.939 1.00 0.00 H new ATOM 789 N GLY A 491 -16.199 1.451 1.010 1.00 0.00 N ATOM 790 CA GLY A 491 -16.486 1.453 2.451 1.00 0.00 C ATOM 791 C GLY A 491 -16.873 0.061 3.011 1.00 0.00 C ATOM 792 O GLY A 491 -17.097 -0.884 2.244 1.00 0.00 O ATOM 0 H GLY A 491 -16.775 2.084 0.455 1.00 0.00 H new ATOM 0 HA2 GLY A 491 -15.610 1.819 2.986 1.00 0.00 H new ATOM 0 HA3 GLY A 491 -17.297 2.153 2.650 1.00 0.00 H new ATOM 796 N PRO A 492 -16.945 -0.100 4.346 1.00 0.00 N ATOM 797 CA PRO A 492 -17.290 -1.373 4.970 1.00 0.00 C ATOM 798 C PRO A 492 -18.724 -1.786 4.632 1.00 0.00 C ATOM 799 O PRO A 492 -19.582 -0.946 4.360 1.00 0.00 O ATOM 800 CB PRO A 492 -17.069 -1.176 6.474 1.00 0.00 C ATOM 801 CG PRO A 492 -17.221 0.327 6.675 1.00 0.00 C ATOM 802 CD PRO A 492 -16.713 0.916 5.359 1.00 0.00 C ATOM 0 HA PRO A 492 -16.669 -2.188 4.599 1.00 0.00 H new ATOM 0 HB2 PRO A 492 -17.799 -1.733 7.061 1.00 0.00 H new ATOM 0 HB3 PRO A 492 -16.082 -1.522 6.781 1.00 0.00 H new ATOM 0 HG2 PRO A 492 -18.258 0.604 6.865 1.00 0.00 H new ATOM 0 HG3 PRO A 492 -16.636 0.680 7.525 1.00 0.00 H new ATOM 0 HD2 PRO A 492 -17.242 1.837 5.115 1.00 0.00 H new ATOM 0 HD3 PRO A 492 -15.654 1.164 5.426 1.00 0.00 H new ATOM 810 N GLY A 493 -18.987 -3.092 4.652 1.00 0.00 N ATOM 811 CA GLY A 493 -20.286 -3.684 4.353 1.00 0.00 C ATOM 812 C GLY A 493 -20.608 -3.725 2.852 1.00 0.00 C ATOM 813 O GLY A 493 -21.408 -4.562 2.433 1.00 0.00 O ATOM 0 H GLY A 493 -18.278 -3.787 4.884 1.00 0.00 H new ATOM 0 HA2 GLY A 493 -20.315 -4.698 4.751 1.00 0.00 H new ATOM 0 HA3 GLY A 493 -21.062 -3.118 4.868 1.00 0.00 H new ATOM 817 N CYS A 494 -19.961 -2.899 2.033 1.00 0.00 N ATOM 818 CA CYS A 494 -20.167 -2.773 0.594 1.00 0.00 C ATOM 819 C CYS A 494 -19.585 -3.892 -0.278 1.00 0.00 C ATOM 820 O CYS A 494 -20.080 -4.115 -1.383 1.00 0.00 O ATOM 821 CB CYS A 494 -19.546 -1.442 0.190 1.00 0.00 C ATOM 822 SG CYS A 494 -20.030 -0.037 1.236 1.00 0.00 S ATOM 0 H CYS A 494 -19.239 -2.265 2.376 1.00 0.00 H new ATOM 0 HA CYS A 494 -21.241 -2.840 0.418 1.00 0.00 H new ATOM 0 HB2 CYS A 494 -18.461 -1.540 0.214 1.00 0.00 H new ATOM 0 HB3 CYS A 494 -19.824 -1.224 -0.841 1.00 0.00 H new ATOM 827 N SER A 495 -18.568 -4.616 0.183 1.00 0.00 N ATOM 828 CA SER A 495 -17.930 -5.701 -0.562 1.00 0.00 C ATOM 829 C SER A 495 -17.922 -6.954 0.307 1.00 0.00 C ATOM 830 O SER A 495 -16.880 -7.368 0.818 1.00 0.00 O ATOM 831 CB SER A 495 -16.512 -5.291 -0.957 1.00 0.00 C ATOM 832 OG SER A 495 -16.457 -4.079 -1.683 1.00 0.00 O ATOM 0 H SER A 495 -18.155 -4.463 1.103 1.00 0.00 H new ATOM 0 HA SER A 495 -18.484 -5.911 -1.477 1.00 0.00 H new ATOM 0 HB2 SER A 495 -15.906 -5.193 -0.056 1.00 0.00 H new ATOM 0 HB3 SER A 495 -16.066 -6.085 -1.556 1.00 0.00 H new ATOM 0 HG SER A 495 -15.525 -3.872 -1.904 1.00 0.00 H new ATOM 838 N ASP A 496 -19.097 -7.557 0.481 1.00 0.00 N ATOM 839 CA ASP A 496 -19.311 -8.755 1.292 1.00 0.00 C ATOM 840 C ASP A 496 -18.757 -8.590 2.714 1.00 0.00 C ATOM 841 O ASP A 496 -18.308 -9.540 3.351 1.00 0.00 O ATOM 842 CB ASP A 496 -18.848 -10.028 0.568 1.00 0.00 C ATOM 843 CG ASP A 496 -19.511 -11.267 1.177 1.00 0.00 C ATOM 844 OD1 ASP A 496 -20.765 -11.284 1.284 1.00 0.00 O ATOM 845 OD2 ASP A 496 -18.797 -12.246 1.483 1.00 0.00 O ATOM 0 H ASP A 496 -19.954 -7.214 0.047 1.00 0.00 H new ATOM 0 HA ASP A 496 -20.385 -8.885 1.424 1.00 0.00 H new ATOM 0 HB2 ASP A 496 -19.095 -9.960 -0.491 1.00 0.00 H new ATOM 0 HB3 ASP A 496 -17.764 -10.118 0.637 1.00 0.00 H new ATOM 850 N GLU A 497 -18.810 -7.344 3.209 1.00 0.00 N ATOM 851 CA GLU A 497 -18.376 -6.923 4.534 1.00 0.00 C ATOM 852 C GLU A 497 -16.858 -6.987 4.787 1.00 0.00 C ATOM 853 O GLU A 497 -16.415 -7.007 5.936 1.00 0.00 O ATOM 854 CB GLU A 497 -19.224 -7.684 5.563 1.00 0.00 C ATOM 855 CG GLU A 497 -19.365 -6.959 6.902 1.00 0.00 C ATOM 856 CD GLU A 497 -19.561 -7.966 8.020 1.00 0.00 C ATOM 857 OE1 GLU A 497 -18.540 -8.517 8.497 1.00 0.00 O ATOM 858 OE2 GLU A 497 -20.738 -8.195 8.382 1.00 0.00 O ATOM 0 H GLU A 497 -19.178 -6.567 2.660 1.00 0.00 H new ATOM 0 HA GLU A 497 -18.551 -5.852 4.632 1.00 0.00 H new ATOM 0 HB2 GLU A 497 -20.217 -7.855 5.147 1.00 0.00 H new ATOM 0 HB3 GLU A 497 -18.777 -8.663 5.736 1.00 0.00 H new ATOM 0 HG2 GLU A 497 -18.476 -6.358 7.095 1.00 0.00 H new ATOM 0 HG3 GLU A 497 -20.212 -6.274 6.866 1.00 0.00 H new ATOM 865 N ASP A 498 -16.042 -6.971 3.739 1.00 0.00 N ATOM 866 CA ASP A 498 -14.572 -7.023 3.803 1.00 0.00 C ATOM 867 C ASP A 498 -13.854 -5.822 4.454 1.00 0.00 C ATOM 868 O ASP A 498 -12.626 -5.726 4.359 1.00 0.00 O ATOM 869 CB ASP A 498 -14.009 -7.251 2.390 1.00 0.00 C ATOM 870 CG ASP A 498 -13.965 -6.009 1.490 1.00 0.00 C ATOM 871 OD1 ASP A 498 -14.508 -4.932 1.834 1.00 0.00 O ATOM 872 OD2 ASP A 498 -13.322 -6.077 0.417 1.00 0.00 O ATOM 0 H ASP A 498 -16.392 -6.920 2.782 1.00 0.00 H new ATOM 0 HA ASP A 498 -14.363 -7.853 4.477 1.00 0.00 H new ATOM 0 HB2 ASP A 498 -12.998 -7.649 2.480 1.00 0.00 H new ATOM 0 HB3 ASP A 498 -14.610 -8.015 1.897 1.00 0.00 H new ATOM 877 N GLY A 499 -14.564 -4.860 5.042 1.00 0.00 N ATOM 878 CA GLY A 499 -13.970 -3.690 5.675 1.00 0.00 C ATOM 879 C GLY A 499 -13.725 -3.929 7.146 1.00 0.00 C ATOM 880 O GLY A 499 -14.155 -3.070 7.941 1.00 0.00 O ATOM 0 H GLY A 499 -15.583 -4.875 5.091 1.00 0.00 H new ATOM 0 HA2 GLY A 499 -13.029 -3.445 5.182 1.00 0.00 H new ATOM 0 HA3 GLY A 499 -14.629 -2.831 5.548 1.00 0.00 H new TER 884 GLY A 499