USER MOD reduce.3.24.130724 H: found=0, std=0, add=442, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 443 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 54 THR OG1 : rot 150:sc= 0.45 USER MOD Set 1.2: A 66 ASN : amide:sc= 0.47 X(o=0.92,f=0.42) USER MOD Set 2.1: A 49 GLN : amide:sc= 0.647 K(o=0.81,f=-3.5!) USER MOD Set 2.2: A 69 SER OG : rot 180:sc= 0.159 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 170:sc= 0 (180deg=-0.0959) USER MOD Single : A 6 THR OG1 : rot 89:sc= 0.892 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.0138 X(o=-0.014,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -53:sc= 0.907 USER MOD Single : A 27 SER OG : rot 180:sc= -0.758 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -1.27 K(o=-1.3,f=-2.9) USER MOD Single : A 35 SER OG : rot 15:sc= 0.174 USER MOD Single : A 38 GLN : amide:sc= -0.0866 X(o=-0.087,f=-0.16) USER MOD Single : A 39 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -168:sc= 1.79 (180deg=1.32) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc=-0.00816 USER MOD ----------------------------------------------------------------- ATOM 36 N LYS A 4 1.690 -6.814 6.646 1.00 49.53 N ATOM 37 CA LYS A 4 2.419 -5.651 6.153 1.00 50.07 C ATOM 38 C LYS A 4 2.925 -5.879 4.734 1.00 50.51 C ATOM 39 O LYS A 4 3.357 -6.979 4.389 1.00 49.49 O ATOM 40 CB LYS A 4 3.587 -5.318 7.081 1.00 49.82 C ATOM 41 CG LYS A 4 3.173 -4.825 8.462 1.00 49.82 C ATOM 42 CD LYS A 4 4.386 -4.483 9.314 1.00 49.82 C ATOM 43 CE LYS A 4 3.975 -4.034 10.708 1.00 50.21 C ATOM 44 NZ LYS A 4 5.152 -3.681 11.549 1.00 49.70 N ATOM 0 HA LYS A 4 1.729 -4.807 6.137 1.00 50.07 H new ATOM 0 HB2 LYS A 4 4.208 -6.206 7.197 1.00 49.82 H new ATOM 0 HB3 LYS A 4 4.206 -4.556 6.607 1.00 49.82 H new ATOM 0 HG2 LYS A 4 2.537 -3.945 8.361 1.00 49.82 H new ATOM 0 HG3 LYS A 4 2.580 -5.591 8.961 1.00 49.82 H new ATOM 0 HD2 LYS A 4 5.038 -5.353 9.388 1.00 49.82 H new ATOM 0 HD3 LYS A 4 4.961 -3.694 8.831 1.00 49.82 H new ATOM 0 HE2 LYS A 4 3.313 -3.172 10.631 1.00 50.21 H new ATOM 0 HE3 LYS A 4 3.408 -4.829 11.193 1.00 50.21 H new ATOM 0 HZ1 LYS A 4 4.828 -3.380 12.491 1.00 49.70 H new ATOM 0 HZ2 LYS A 4 5.772 -4.511 11.645 1.00 49.70 H new ATOM 0 HZ3 LYS A 4 5.679 -2.905 11.100 1.00 49.70 H new ATOM 58 N MET A 5 2.871 -4.835 3.917 1.00 49.53 N ATOM 59 CA MET A 5 3.278 -4.931 2.520 1.00 50.07 C ATOM 60 C MET A 5 3.708 -3.576 1.976 1.00 50.51 C ATOM 61 O MET A 5 3.001 -2.580 2.134 1.00 49.49 O ATOM 62 CB MET A 5 2.139 -5.502 1.677 1.00 49.82 C ATOM 63 CG MET A 5 2.459 -5.637 0.195 1.00 49.86 C ATOM 64 SD MET A 5 3.769 -6.836 -0.127 1.00 49.91 S ATOM 65 CE MET A 5 2.889 -8.374 0.122 1.00 49.78 C ATOM 0 H MET A 5 2.548 -3.909 4.198 1.00 49.53 H new ATOM 0 HA MET A 5 4.134 -5.603 2.464 1.00 50.07 H new ATOM 0 HB2 MET A 5 1.870 -6.483 2.069 1.00 49.82 H new ATOM 0 HB3 MET A 5 1.264 -4.862 1.790 1.00 49.82 H new ATOM 0 HG2 MET A 5 1.558 -5.936 -0.341 1.00 49.86 H new ATOM 0 HG3 MET A 5 2.757 -4.665 -0.198 1.00 49.86 H new ATOM 0 HE1 MET A 5 3.509 -9.206 -0.211 1.00 49.78 H new ATOM 0 HE2 MET A 5 2.659 -8.494 1.181 1.00 49.78 H new ATOM 0 HE3 MET A 5 1.962 -8.360 -0.452 1.00 49.78 H new ATOM 75 N THR A 6 4.870 -3.543 1.333 1.00 49.53 N ATOM 76 CA THR A 6 5.321 -2.351 0.624 1.00 50.07 C ATOM 77 C THR A 6 5.316 -2.573 -0.883 1.00 50.51 C ATOM 78 O THR A 6 5.352 -3.711 -1.353 1.00 49.49 O ATOM 79 CB THR A 6 6.735 -1.931 1.066 1.00 50.14 C ATOM 80 OG1 THR A 6 7.669 -2.969 0.739 1.00 49.34 O ATOM 81 CG2 THR A 6 6.772 -1.676 2.565 1.00 49.73 C ATOM 0 H THR A 6 5.518 -4.330 1.288 1.00 49.53 H new ATOM 0 HA THR A 6 4.621 -1.553 0.874 1.00 50.07 H new ATOM 0 HB THR A 6 7.004 -1.012 0.545 1.00 50.14 H new ATOM 0 HG1 THR A 6 8.007 -2.830 -0.170 1.00 49.34 H new ATOM 0 HG21 THR A 6 7.779 -1.380 2.859 1.00 49.73 H new ATOM 0 HG22 THR A 6 6.072 -0.879 2.816 1.00 49.73 H new ATOM 0 HG23 THR A 6 6.491 -2.586 3.096 1.00 49.73 H new ATOM 89 N GLY A 7 5.271 -1.479 -1.637 1.00 49.53 N ATOM 90 CA GLY A 7 5.253 -1.553 -3.092 1.00 49.98 C ATOM 91 C GLY A 7 5.117 -0.168 -3.712 1.00 50.51 C ATOM 92 O GLY A 7 5.308 0.845 -3.040 1.00 49.49 O ATOM 0 H GLY A 7 5.246 -0.530 -1.263 1.00 49.53 H new ATOM 0 HA2 GLY A 7 6.170 -2.025 -3.446 1.00 49.98 H new ATOM 0 HA3 GLY A 7 4.425 -2.183 -3.417 1.00 49.98 H new ATOM 96 N ILE A 8 4.783 -0.130 -4.997 1.00 49.53 N ATOM 97 CA ILE A 8 4.642 1.129 -5.716 1.00 50.07 C ATOM 98 C ILE A 8 3.272 1.240 -6.373 1.00 50.51 C ATOM 99 O ILE A 8 2.842 0.335 -7.089 1.00 49.49 O ATOM 100 CB ILE A 8 5.731 1.293 -6.792 1.00 49.91 C ATOM 101 CG1 ILE A 8 7.118 1.339 -6.146 1.00 49.82 C ATOM 102 CG2 ILE A 8 5.482 2.546 -7.616 1.00 49.73 C ATOM 103 CD1 ILE A 8 8.257 1.324 -7.141 1.00 49.73 C ATOM 0 H ILE A 8 4.605 -0.960 -5.563 1.00 49.53 H new ATOM 0 HA ILE A 8 4.752 1.923 -4.978 1.00 50.07 H new ATOM 0 HB ILE A 8 5.691 0.432 -7.459 1.00 49.91 H new ATOM 0 HG12 ILE A 8 7.194 2.238 -5.535 1.00 49.82 H new ATOM 0 HG13 ILE A 8 7.224 0.487 -5.474 1.00 49.82 H new ATOM 0 HG21 ILE A 8 6.261 2.646 -8.371 1.00 49.73 H new ATOM 0 HG22 ILE A 8 4.510 2.473 -8.105 1.00 49.73 H new ATOM 0 HG23 ILE A 8 5.495 3.419 -6.964 1.00 49.73 H new ATOM 0 HD11 ILE A 8 9.207 1.359 -6.607 1.00 49.73 H new ATOM 0 HD12 ILE A 8 8.208 0.412 -7.736 1.00 49.73 H new ATOM 0 HD13 ILE A 8 8.178 2.190 -7.798 1.00 49.73 H new ATOM 115 N VAL A 9 2.590 2.353 -6.125 1.00 49.53 N ATOM 116 CA VAL A 9 1.277 2.593 -6.709 1.00 50.07 C ATOM 117 C VAL A 9 1.364 2.719 -8.225 1.00 50.51 C ATOM 118 O VAL A 9 2.129 3.528 -8.748 1.00 49.49 O ATOM 119 CB VAL A 9 0.626 3.866 -6.136 1.00 49.91 C ATOM 120 CG1 VAL A 9 1.370 5.105 -6.609 1.00 49.73 C ATOM 121 CG2 VAL A 9 -0.840 3.942 -6.536 1.00 49.73 C ATOM 0 H VAL A 9 2.926 3.104 -5.522 1.00 49.53 H new ATOM 0 HA VAL A 9 0.658 1.733 -6.452 1.00 50.07 H new ATOM 0 HB VAL A 9 0.685 3.822 -5.049 1.00 49.91 H new ATOM 0 HG11 VAL A 9 0.896 5.995 -6.194 1.00 49.73 H new ATOM 0 HG12 VAL A 9 2.406 5.057 -6.275 1.00 49.73 H new ATOM 0 HG13 VAL A 9 1.342 5.153 -7.698 1.00 49.73 H new ATOM 0 HG21 VAL A 9 -1.284 4.848 -6.122 1.00 49.73 H new ATOM 0 HG22 VAL A 9 -0.920 3.963 -7.623 1.00 49.73 H new ATOM 0 HG23 VAL A 9 -1.368 3.070 -6.150 1.00 49.73 H new ATOM 131 N LYS A 10 0.573 1.912 -8.927 1.00 49.53 N ATOM 132 CA LYS A 10 0.632 1.857 -10.383 1.00 50.07 C ATOM 133 C LYS A 10 -0.549 2.588 -11.008 1.00 50.51 C ATOM 134 O LYS A 10 -0.389 3.336 -11.973 1.00 49.49 O ATOM 135 CB LYS A 10 0.669 0.407 -10.865 1.00 49.82 C ATOM 136 CG LYS A 10 0.838 0.248 -12.370 1.00 49.82 C ATOM 137 CD LYS A 10 0.901 -1.220 -12.768 1.00 49.82 C ATOM 138 CE LYS A 10 1.137 -1.379 -14.262 1.00 50.21 C ATOM 139 NZ LYS A 10 1.270 -2.807 -14.655 1.00 49.70 N ATOM 0 H LYS A 10 -0.117 1.287 -8.510 1.00 49.53 H new ATOM 0 HA LYS A 10 1.548 2.356 -10.699 1.00 50.07 H new ATOM 0 HB2 LYS A 10 1.488 -0.109 -10.363 1.00 49.82 H new ATOM 0 HB3 LYS A 10 -0.253 -0.088 -10.561 1.00 49.82 H new ATOM 0 HG2 LYS A 10 0.007 0.731 -12.884 1.00 49.82 H new ATOM 0 HG3 LYS A 10 1.749 0.753 -12.691 1.00 49.82 H new ATOM 0 HD2 LYS A 10 1.701 -1.714 -12.217 1.00 49.82 H new ATOM 0 HD3 LYS A 10 -0.030 -1.714 -12.490 1.00 49.82 H new ATOM 0 HE2 LYS A 10 0.310 -0.927 -14.810 1.00 50.21 H new ATOM 0 HE3 LYS A 10 2.040 -0.839 -14.546 1.00 50.21 H new ATOM 0 HZ1 LYS A 10 1.430 -2.871 -15.681 1.00 49.70 H new ATOM 0 HZ2 LYS A 10 2.075 -3.232 -14.152 1.00 49.70 H new ATOM 0 HZ3 LYS A 10 0.398 -3.318 -14.408 1.00 49.70 H new ATOM 153 N TRP A 11 -1.737 2.367 -10.454 1.00 49.53 N ATOM 154 CA TRP A 11 -2.939 3.047 -10.920 1.00 50.07 C ATOM 155 C TRP A 11 -3.616 3.806 -9.787 1.00 50.51 C ATOM 156 O TRP A 11 -3.687 3.320 -8.657 1.00 49.49 O ATOM 157 CB TRP A 11 -3.915 2.044 -11.536 1.00 49.82 C ATOM 158 CG TRP A 11 -3.379 1.362 -12.758 1.00 49.97 C ATOM 159 CD1 TRP A 11 -2.754 0.153 -12.811 1.00 50.03 C ATOM 160 CD2 TRP A 11 -3.425 1.849 -14.106 1.00 49.98 C ATOM 161 NE1 TRP A 11 -2.403 -0.143 -14.104 1.00 49.39 N ATOM 162 CE2 TRP A 11 -2.807 0.883 -14.920 1.00 50.13 C ATOM 163 CE3 TRP A 11 -3.931 3.011 -14.702 1.00 49.88 C ATOM 164 CZ2 TRP A 11 -2.678 1.039 -16.291 1.00 49.88 C ATOM 165 CZ3 TRP A 11 -3.802 3.167 -16.077 1.00 49.88 C ATOM 166 CH2 TRP A 11 -3.194 2.208 -16.849 1.00 49.88 C ATOM 0 H TRP A 11 -1.892 1.721 -9.680 1.00 49.53 H new ATOM 0 HA TRP A 11 -2.641 3.767 -11.682 1.00 50.07 H new ATOM 0 HB2 TRP A 11 -4.168 1.290 -10.790 1.00 49.82 H new ATOM 0 HB3 TRP A 11 -4.840 2.560 -11.794 1.00 49.82 H new ATOM 0 HD1 TRP A 11 -2.562 -0.481 -11.958 1.00 50.03 H new ATOM 0 HE1 TRP A 11 -1.920 -0.988 -14.409 1.00 49.39 H new ATOM 0 HE3 TRP A 11 -4.412 3.771 -14.105 1.00 49.88 H new ATOM 0 HZ2 TRP A 11 -2.199 0.288 -16.901 1.00 49.88 H new ATOM 0 HZ3 TRP A 11 -4.187 4.060 -16.547 1.00 49.88 H new ATOM 0 HH2 TRP A 11 -3.113 2.363 -17.915 1.00 49.88 H new ATOM 177 N PHE A 12 -4.113 4.999 -10.093 1.00 49.53 N ATOM 178 CA PHE A 12 -4.906 5.768 -9.141 1.00 50.07 C ATOM 179 C PHE A 12 -5.648 6.904 -9.831 1.00 50.51 C ATOM 180 O PHE A 12 -5.042 7.732 -10.511 1.00 49.49 O ATOM 181 CB PHE A 12 -4.015 6.321 -8.028 1.00 49.82 C ATOM 182 CG PHE A 12 -4.772 6.768 -6.810 1.00 50.00 C ATOM 183 CD1 PHE A 12 -5.271 8.059 -6.719 1.00 49.88 C ATOM 184 CD2 PHE A 12 -4.986 5.897 -5.752 1.00 49.88 C ATOM 185 CE1 PHE A 12 -5.968 8.470 -5.600 1.00 49.88 C ATOM 186 CE2 PHE A 12 -5.684 6.306 -4.631 1.00 49.88 C ATOM 187 CZ PHE A 12 -6.174 7.593 -4.555 1.00 49.88 C ATOM 0 H PHE A 12 -3.980 5.456 -10.995 1.00 49.53 H new ATOM 0 HA PHE A 12 -5.645 5.097 -8.704 1.00 50.07 H new ATOM 0 HB2 PHE A 12 -3.296 5.555 -7.737 1.00 49.82 H new ATOM 0 HB3 PHE A 12 -3.443 7.163 -8.418 1.00 49.82 H new ATOM 0 HD1 PHE A 12 -5.113 8.751 -7.533 1.00 49.88 H new ATOM 0 HD2 PHE A 12 -4.603 4.888 -5.805 1.00 49.88 H new ATOM 0 HE1 PHE A 12 -6.352 9.478 -5.543 1.00 49.88 H new ATOM 0 HE2 PHE A 12 -5.846 5.618 -3.815 1.00 49.88 H new ATOM 0 HZ PHE A 12 -6.718 7.914 -3.679 1.00 49.88 H new ATOM 197 N ASN A 13 -6.964 6.938 -9.654 1.00 49.53 N ATOM 198 CA ASN A 13 -7.777 8.038 -10.159 1.00 50.07 C ATOM 199 C ASN A 13 -8.212 8.965 -9.030 1.00 50.51 C ATOM 200 O ASN A 13 -9.106 8.633 -8.252 1.00 49.49 O ATOM 201 CB ASN A 13 -8.990 7.531 -10.917 1.00 49.82 C ATOM 202 CG ASN A 13 -8.646 6.764 -12.164 1.00 50.55 C ATOM 203 OD1 ASN A 13 -8.025 7.296 -13.092 1.00 49.45 O ATOM 204 ND2 ASN A 13 -9.117 5.546 -12.226 1.00 49.38 N ATOM 0 H ASN A 13 -7.491 6.215 -9.164 1.00 49.53 H new ATOM 0 HA ASN A 13 -7.155 8.605 -10.852 1.00 50.07 H new ATOM 0 HB2 ASN A 13 -9.578 6.892 -10.258 1.00 49.82 H new ATOM 0 HB3 ASN A 13 -9.621 8.379 -11.185 1.00 49.82 H new ATOM 0 HD21 ASN A 13 -8.979 4.988 -13.069 1.00 49.38 H new ATOM 0 HD22 ASN A 13 -9.623 5.154 -11.432 1.00 49.38 H new ATOM 211 N ALA A 14 -7.572 10.126 -8.945 1.00 49.53 N ATOM 212 CA ALA A 14 -7.839 11.071 -7.867 1.00 50.07 C ATOM 213 C ALA A 14 -9.297 11.512 -7.870 1.00 50.51 C ATOM 214 O ALA A 14 -9.846 11.879 -6.831 1.00 49.49 O ATOM 215 CB ALA A 14 -6.917 12.275 -7.976 1.00 49.73 C ATOM 0 H ALA A 14 -6.864 10.436 -9.611 1.00 49.53 H new ATOM 0 HA ALA A 14 -7.644 10.567 -6.921 1.00 50.07 H new ATOM 0 HB1 ALA A 14 -7.129 12.971 -7.164 1.00 49.73 H new ATOM 0 HB2 ALA A 14 -5.880 11.946 -7.910 1.00 49.73 H new ATOM 0 HB3 ALA A 14 -7.080 12.773 -8.932 1.00 49.73 H new ATOM 221 N ASP A 15 -9.918 11.476 -9.043 1.00 49.53 N ATOM 222 CA ASP A 15 -11.310 11.887 -9.187 1.00 50.07 C ATOM 223 C ASP A 15 -12.240 10.960 -8.413 1.00 50.51 C ATOM 224 O ASP A 15 -13.330 11.360 -8.003 1.00 49.49 O ATOM 225 CB ASP A 15 -11.710 11.920 -10.663 1.00 49.72 C ATOM 226 CG ASP A 15 -11.109 13.076 -11.453 1.00 50.62 C ATOM 227 OD1 ASP A 15 -10.581 13.975 -10.841 1.00 49.24 O ATOM 228 OD2 ASP A 15 -11.041 12.978 -12.654 1.00 49.24 O ATOM 0 H ASP A 15 -9.479 11.166 -9.910 1.00 49.53 H new ATOM 0 HA ASP A 15 -11.406 12.891 -8.773 1.00 50.07 H new ATOM 0 HB2 ASP A 15 -11.409 10.982 -11.129 1.00 49.72 H new ATOM 0 HB3 ASP A 15 -12.796 11.975 -10.731 1.00 49.72 H new ATOM 233 N LYS A 16 -11.804 9.720 -8.217 1.00 49.53 N ATOM 234 CA LYS A 16 -12.620 8.720 -7.539 1.00 50.07 C ATOM 235 C LYS A 16 -12.051 8.385 -6.167 1.00 50.51 C ATOM 236 O LYS A 16 -12.792 8.041 -5.245 1.00 49.49 O ATOM 237 CB LYS A 16 -12.726 7.452 -8.389 1.00 49.82 C ATOM 238 CG LYS A 16 -13.279 7.678 -9.789 1.00 49.82 C ATOM 239 CD LYS A 16 -14.726 8.149 -9.744 1.00 49.82 C ATOM 240 CE LYS A 16 -15.318 8.255 -11.140 1.00 50.21 C ATOM 241 NZ LYS A 16 -16.713 8.773 -11.115 1.00 49.70 N ATOM 0 H LYS A 16 -10.889 9.384 -8.518 1.00 49.53 H new ATOM 0 HA LYS A 16 -13.617 9.139 -7.401 1.00 50.07 H new ATOM 0 HB2 LYS A 16 -11.737 7.000 -8.471 1.00 49.82 H new ATOM 0 HB3 LYS A 16 -13.363 6.734 -7.871 1.00 49.82 H new ATOM 0 HG2 LYS A 16 -12.670 8.418 -10.308 1.00 49.82 H new ATOM 0 HG3 LYS A 16 -13.213 6.753 -10.362 1.00 49.82 H new ATOM 0 HD2 LYS A 16 -15.318 7.455 -9.148 1.00 49.82 H new ATOM 0 HD3 LYS A 16 -14.779 9.119 -9.250 1.00 49.82 H new ATOM 0 HE2 LYS A 16 -14.697 8.913 -11.748 1.00 50.21 H new ATOM 0 HE3 LYS A 16 -15.304 7.274 -11.616 1.00 50.21 H new ATOM 0 HZ1 LYS A 16 -17.080 8.830 -12.087 1.00 49.70 H new ATOM 0 HZ2 LYS A 16 -17.311 8.132 -10.556 1.00 49.70 H new ATOM 0 HZ3 LYS A 16 -16.724 9.720 -10.685 1.00 49.70 H new ATOM 255 N GLY A 17 -10.733 8.486 -6.036 1.00 49.53 N ATOM 256 CA GLY A 17 -10.061 8.183 -4.778 1.00 49.98 C ATOM 257 C GLY A 17 -9.761 6.694 -4.658 1.00 50.51 C ATOM 258 O GLY A 17 -9.605 6.169 -3.554 1.00 49.49 O ATOM 0 H GLY A 17 -10.107 8.776 -6.788 1.00 49.53 H new ATOM 0 HA2 GLY A 17 -9.132 8.750 -4.713 1.00 49.98 H new ATOM 0 HA3 GLY A 17 -10.687 8.499 -3.943 1.00 49.98 H new ATOM 262 N PHE A 18 -9.681 6.018 -5.799 1.00 49.53 N ATOM 263 CA PHE A 18 -9.384 4.591 -5.823 1.00 50.07 C ATOM 264 C PHE A 18 -8.270 4.278 -6.817 1.00 50.51 C ATOM 265 O PHE A 18 -8.113 4.967 -7.823 1.00 49.49 O ATOM 266 CB PHE A 18 -10.639 3.788 -6.170 1.00 49.82 C ATOM 267 CG PHE A 18 -11.800 4.057 -5.257 1.00 50.00 C ATOM 268 CD1 PHE A 18 -11.819 3.548 -3.968 1.00 49.88 C ATOM 269 CD2 PHE A 18 -12.878 4.818 -5.686 1.00 49.88 C ATOM 270 CE1 PHE A 18 -12.887 3.791 -3.126 1.00 49.88 C ATOM 271 CE2 PHE A 18 -13.947 5.065 -4.846 1.00 49.88 C ATOM 272 CZ PHE A 18 -13.951 4.553 -3.567 1.00 49.88 C ATOM 0 H PHE A 18 -9.818 6.436 -6.719 1.00 49.53 H new ATOM 0 HA PHE A 18 -9.045 4.304 -4.828 1.00 50.07 H new ATOM 0 HB2 PHE A 18 -10.934 4.016 -7.194 1.00 49.82 H new ATOM 0 HB3 PHE A 18 -10.400 2.725 -6.136 1.00 49.82 H new ATOM 0 HD1 PHE A 18 -10.988 2.954 -3.617 1.00 49.88 H new ATOM 0 HD2 PHE A 18 -12.882 5.222 -6.688 1.00 49.88 H new ATOM 0 HE1 PHE A 18 -12.890 3.386 -2.125 1.00 49.88 H new ATOM 0 HE2 PHE A 18 -14.780 5.660 -5.192 1.00 49.88 H new ATOM 0 HZ PHE A 18 -14.786 4.747 -2.910 1.00 49.88 H new ATOM 282 N GLY A 19 -7.502 3.234 -6.525 1.00 49.53 N ATOM 283 CA GLY A 19 -6.444 2.788 -7.423 1.00 49.98 C ATOM 284 C GLY A 19 -5.883 1.441 -6.988 1.00 50.51 C ATOM 285 O GLY A 19 -6.456 0.766 -6.131 1.00 49.49 O ATOM 0 H GLY A 19 -7.593 2.681 -5.673 1.00 49.53 H new ATOM 0 HA2 GLY A 19 -6.833 2.712 -8.438 1.00 49.98 H new ATOM 0 HA3 GLY A 19 -5.644 3.528 -7.443 1.00 49.98 H new ATOM 289 N PHE A 20 -4.758 1.054 -7.581 1.00 49.53 N ATOM 290 CA PHE A 20 -4.128 -0.224 -7.269 1.00 50.07 C ATOM 291 C PHE A 20 -2.633 -0.057 -7.031 1.00 50.51 C ATOM 292 O PHE A 20 -1.963 0.698 -7.734 1.00 49.49 O ATOM 293 CB PHE A 20 -4.372 -1.229 -8.398 1.00 49.82 C ATOM 294 CG PHE A 20 -5.808 -1.650 -8.533 1.00 50.00 C ATOM 295 CD1 PHE A 20 -6.299 -2.733 -7.817 1.00 49.88 C ATOM 296 CD2 PHE A 20 -6.671 -0.967 -9.376 1.00 49.88 C ATOM 297 CE1 PHE A 20 -7.618 -3.122 -7.941 1.00 49.88 C ATOM 298 CE2 PHE A 20 -7.991 -1.354 -9.501 1.00 49.88 C ATOM 299 CZ PHE A 20 -8.466 -2.432 -8.783 1.00 49.88 C ATOM 0 H PHE A 20 -4.264 1.608 -8.281 1.00 49.53 H new ATOM 0 HA PHE A 20 -4.578 -0.604 -6.352 1.00 50.07 H new ATOM 0 HB2 PHE A 20 -4.041 -0.791 -9.340 1.00 49.82 H new ATOM 0 HB3 PHE A 20 -3.758 -2.113 -8.224 1.00 49.82 H new ATOM 0 HD1 PHE A 20 -5.642 -3.278 -7.155 1.00 49.88 H new ATOM 0 HD2 PHE A 20 -6.307 -0.122 -9.942 1.00 49.88 H new ATOM 0 HE1 PHE A 20 -7.986 -3.967 -7.378 1.00 49.88 H new ATOM 0 HE2 PHE A 20 -8.652 -0.812 -10.161 1.00 49.88 H new ATOM 0 HZ PHE A 20 -9.498 -2.735 -8.880 1.00 49.88 H new ATOM 309 N ILE A 21 -2.115 -0.767 -6.035 1.00 49.53 N ATOM 310 CA ILE A 21 -0.694 -0.715 -5.713 1.00 50.07 C ATOM 311 C ILE A 21 -0.013 -2.044 -6.009 1.00 50.51 C ATOM 312 O ILE A 21 -0.503 -3.105 -5.619 1.00 49.49 O ATOM 313 CB ILE A 21 -0.463 -0.346 -4.237 1.00 49.91 C ATOM 314 CG1 ILE A 21 -1.085 1.016 -3.922 1.00 49.82 C ATOM 315 CG2 ILE A 21 1.025 -0.343 -3.917 1.00 49.73 C ATOM 316 CD1 ILE A 21 -1.186 1.314 -2.444 1.00 49.73 C ATOM 0 H ILE A 21 -2.660 -1.387 -5.435 1.00 49.53 H new ATOM 0 HA ILE A 21 -0.257 0.060 -6.343 1.00 50.07 H new ATOM 0 HB ILE A 21 -0.947 -1.096 -3.612 1.00 49.91 H new ATOM 0 HG12 ILE A 21 -0.492 1.795 -4.400 1.00 49.82 H new ATOM 0 HG13 ILE A 21 -2.082 1.060 -4.361 1.00 49.82 H new ATOM 0 HG21 ILE A 21 1.171 -0.080 -2.869 1.00 49.73 H new ATOM 0 HG22 ILE A 21 1.439 -1.334 -4.104 1.00 49.73 H new ATOM 0 HG23 ILE A 21 1.531 0.387 -4.548 1.00 49.73 H new ATOM 0 HD11 ILE A 21 -1.637 2.296 -2.301 1.00 49.73 H new ATOM 0 HD12 ILE A 21 -1.805 0.557 -1.962 1.00 49.73 H new ATOM 0 HD13 ILE A 21 -0.190 1.304 -2.002 1.00 49.73 H new ATOM 328 N THR A 22 1.119 -1.983 -6.701 1.00 49.53 N ATOM 329 CA THR A 22 1.873 -3.182 -7.046 1.00 50.07 C ATOM 330 C THR A 22 2.926 -3.494 -5.991 1.00 50.51 C ATOM 331 O THR A 22 3.867 -2.726 -5.792 1.00 49.49 O ATOM 332 CB THR A 22 2.561 -3.042 -8.417 1.00 50.14 C ATOM 333 OG1 THR A 22 1.572 -2.832 -9.432 1.00 49.34 O ATOM 334 CG2 THR A 22 3.358 -4.296 -8.743 1.00 49.73 C ATOM 0 H THR A 22 1.535 -1.114 -7.035 1.00 49.53 H new ATOM 0 HA THR A 22 1.155 -4.001 -7.091 1.00 50.07 H new ATOM 0 HB THR A 22 3.240 -2.190 -8.381 1.00 50.14 H new ATOM 0 HG1 THR A 22 0.898 -3.542 -9.384 1.00 49.34 H new ATOM 0 HG21 THR A 22 3.837 -4.180 -9.715 1.00 49.73 H new ATOM 0 HG22 THR A 22 4.120 -4.452 -7.979 1.00 49.73 H new ATOM 0 HG23 THR A 22 2.689 -5.156 -8.769 1.00 49.73 H new ATOM 342 N PRO A 23 2.761 -4.626 -5.314 1.00 49.71 N ATOM 343 CA PRO A 23 3.656 -5.005 -4.227 1.00 50.02 C ATOM 344 C PRO A 23 5.071 -5.243 -4.734 1.00 50.51 C ATOM 345 O PRO A 23 5.275 -5.564 -5.906 1.00 49.49 O ATOM 346 CB PRO A 23 3.025 -6.285 -3.652 1.00 49.82 C ATOM 347 CG PRO A 23 1.581 -6.228 -4.070 1.00 49.82 C ATOM 348 CD PRO A 23 1.682 -5.602 -5.514 1.00 50.00 C ATOM 0 HA PRO A 23 3.757 -4.225 -3.472 1.00 50.02 H new ATOM 0 HB2 PRO A 23 3.514 -7.177 -4.044 1.00 49.82 H new ATOM 0 HB3 PRO A 23 3.121 -6.319 -2.567 1.00 49.82 H new ATOM 0 HG2 PRO A 23 1.121 -7.216 -4.085 1.00 49.82 H new ATOM 0 HG3 PRO A 23 0.986 -5.610 -3.398 1.00 49.82 H new ATOM 0 HD2 PRO A 23 1.932 -6.346 -6.271 1.00 50.00 H new ATOM 0 HD3 PRO A 23 0.750 -5.130 -5.826 1.00 50.00 H new ATOM 356 N ASP A 24 6.048 -5.083 -3.847 1.00 49.53 N ATOM 357 CA ASP A 24 7.443 -5.338 -4.188 1.00 50.07 C ATOM 358 C ASP A 24 7.663 -6.804 -4.542 1.00 50.51 C ATOM 359 O ASP A 24 8.606 -7.144 -5.257 1.00 49.49 O ATOM 360 CB ASP A 24 8.360 -4.933 -3.032 1.00 49.72 C ATOM 361 CG ASP A 24 8.596 -3.433 -2.913 1.00 50.62 C ATOM 362 OD1 ASP A 24 8.346 -2.735 -3.867 1.00 49.24 O ATOM 363 OD2 ASP A 24 8.871 -2.980 -1.828 1.00 49.24 O ATOM 0 H ASP A 24 5.899 -4.777 -2.885 1.00 49.53 H new ATOM 0 HA ASP A 24 7.689 -4.735 -5.062 1.00 50.07 H new ATOM 0 HB2 ASP A 24 7.930 -5.296 -2.099 1.00 49.72 H new ATOM 0 HB3 ASP A 24 9.322 -5.431 -3.155 1.00 49.72 H new ATOM 368 N ASP A 25 6.789 -7.667 -4.039 1.00 49.53 N ATOM 369 CA ASP A 25 6.872 -9.095 -4.322 1.00 50.07 C ATOM 370 C ASP A 25 6.395 -9.405 -5.735 1.00 50.51 C ATOM 371 O ASP A 25 6.636 -10.494 -6.257 1.00 49.49 O ATOM 372 CB ASP A 25 6.055 -9.892 -3.303 1.00 49.72 C ATOM 373 CG ASP A 25 6.663 -9.943 -1.908 1.00 50.62 C ATOM 374 OD1 ASP A 25 7.812 -9.599 -1.770 1.00 49.24 O ATOM 375 OD2 ASP A 25 5.934 -10.170 -0.973 1.00 49.24 O ATOM 0 H ASP A 25 6.013 -7.403 -3.432 1.00 49.53 H new ATOM 0 HA ASP A 25 7.918 -9.390 -4.244 1.00 50.07 H new ATOM 0 HB2 ASP A 25 5.058 -9.457 -3.235 1.00 49.72 H new ATOM 0 HB3 ASP A 25 5.934 -10.911 -3.670 1.00 49.72 H new ATOM 380 N GLY A 26 5.715 -8.444 -6.348 1.00 49.53 N ATOM 381 CA GLY A 26 5.194 -8.616 -7.700 1.00 49.98 C ATOM 382 C GLY A 26 3.885 -9.396 -7.689 1.00 50.51 C ATOM 383 O GLY A 26 3.434 -9.883 -8.725 1.00 49.49 O ATOM 0 H GLY A 26 5.511 -7.536 -5.930 1.00 49.53 H new ATOM 0 HA2 GLY A 26 5.035 -7.640 -8.159 1.00 49.98 H new ATOM 0 HA3 GLY A 26 5.928 -9.140 -8.312 1.00 49.98 H new ATOM 387 N SER A 27 3.281 -9.513 -6.511 1.00 49.53 N ATOM 388 CA SER A 27 2.036 -10.255 -6.359 1.00 50.07 C ATOM 389 C SER A 27 0.855 -9.470 -6.914 1.00 50.51 C ATOM 390 O SER A 27 1.007 -8.335 -7.364 1.00 49.49 O ATOM 391 CB SER A 27 1.805 -10.595 -4.900 1.00 50.05 C ATOM 392 OG SER A 27 1.515 -9.457 -4.134 1.00 49.34 O ATOM 0 H SER A 27 3.635 -9.103 -5.647 1.00 49.53 H new ATOM 0 HA SER A 27 2.121 -11.180 -6.930 1.00 50.07 H new ATOM 0 HB2 SER A 27 0.982 -11.305 -4.819 1.00 50.05 H new ATOM 0 HB3 SER A 27 2.691 -11.086 -4.498 1.00 50.05 H new ATOM 0 HG SER A 27 1.371 -9.719 -3.201 1.00 49.34 H new ATOM 398 N LYS A 28 -0.325 -10.082 -6.878 1.00 49.53 N ATOM 399 CA LYS A 28 -1.535 -9.443 -7.385 1.00 50.07 C ATOM 400 C LYS A 28 -1.689 -8.034 -6.827 1.00 50.51 C ATOM 401 O LYS A 28 -1.535 -7.813 -5.624 1.00 49.49 O ATOM 402 CB LYS A 28 -2.767 -10.283 -7.043 1.00 49.82 C ATOM 403 CG LYS A 28 -4.074 -9.735 -7.598 1.00 49.82 C ATOM 404 CD LYS A 28 -5.242 -10.654 -7.271 1.00 49.82 C ATOM 405 CE LYS A 28 -6.556 -10.084 -7.785 1.00 50.21 C ATOM 406 NZ LYS A 28 -7.706 -10.981 -7.486 1.00 49.70 N ATOM 0 H LYS A 28 -0.469 -11.020 -6.503 1.00 49.53 H new ATOM 0 HA LYS A 28 -1.446 -9.371 -8.469 1.00 50.07 H new ATOM 0 HB2 LYS A 28 -2.620 -11.294 -7.424 1.00 49.82 H new ATOM 0 HB3 LYS A 28 -2.850 -10.360 -5.959 1.00 49.82 H new ATOM 0 HG2 LYS A 28 -4.261 -8.744 -7.183 1.00 49.82 H new ATOM 0 HG3 LYS A 28 -3.992 -9.618 -8.679 1.00 49.82 H new ATOM 0 HD2 LYS A 28 -5.071 -11.635 -7.714 1.00 49.82 H new ATOM 0 HD3 LYS A 28 -5.303 -10.798 -6.192 1.00 49.82 H new ATOM 0 HE2 LYS A 28 -6.730 -9.108 -7.332 1.00 50.21 H new ATOM 0 HE3 LYS A 28 -6.488 -9.928 -8.862 1.00 50.21 H new ATOM 0 HZ1 LYS A 28 -8.582 -10.557 -7.853 1.00 49.70 H new ATOM 0 HZ2 LYS A 28 -7.553 -11.905 -7.939 1.00 49.70 H new ATOM 0 HZ3 LYS A 28 -7.788 -11.109 -6.457 1.00 49.70 H new ATOM 420 N ASP A 29 -1.995 -7.085 -7.703 1.00 49.53 N ATOM 421 CA ASP A 29 -2.159 -5.694 -7.301 1.00 50.07 C ATOM 422 C ASP A 29 -3.168 -5.564 -6.167 1.00 50.51 C ATOM 423 O ASP A 29 -4.233 -6.181 -6.197 1.00 49.49 O ATOM 424 CB ASP A 29 -2.597 -4.839 -8.493 1.00 49.72 C ATOM 425 CG ASP A 29 -1.508 -4.604 -9.532 1.00 50.62 C ATOM 426 OD1 ASP A 29 -0.374 -4.915 -9.256 1.00 49.24 O ATOM 427 OD2 ASP A 29 -1.838 -4.266 -10.643 1.00 49.24 O ATOM 0 H ASP A 29 -2.135 -7.254 -8.699 1.00 49.53 H new ATOM 0 HA ASP A 29 -1.194 -5.335 -6.943 1.00 50.07 H new ATOM 0 HB2 ASP A 29 -3.447 -5.320 -8.977 1.00 49.72 H new ATOM 0 HB3 ASP A 29 -2.945 -3.874 -8.124 1.00 49.72 H new ATOM 432 N VAL A 30 -2.826 -4.758 -5.168 1.00 49.53 N ATOM 433 CA VAL A 30 -3.692 -4.562 -4.011 1.00 50.07 C ATOM 434 C VAL A 30 -4.561 -3.321 -4.178 1.00 50.51 C ATOM 435 O VAL A 30 -4.054 -2.218 -4.375 1.00 49.49 O ATOM 436 CB VAL A 30 -2.877 -4.435 -2.710 1.00 49.91 C ATOM 437 CG1 VAL A 30 -3.803 -4.238 -1.518 1.00 49.73 C ATOM 438 CG2 VAL A 30 -2.004 -5.664 -2.507 1.00 49.73 C ATOM 0 H VAL A 30 -1.954 -4.229 -5.136 1.00 49.53 H new ATOM 0 HA VAL A 30 -4.331 -5.443 -3.944 1.00 50.07 H new ATOM 0 HB VAL A 30 -2.230 -3.562 -2.793 1.00 49.91 H new ATOM 0 HG11 VAL A 30 -3.210 -4.150 -0.607 1.00 49.73 H new ATOM 0 HG12 VAL A 30 -4.389 -3.330 -1.659 1.00 49.73 H new ATOM 0 HG13 VAL A 30 -4.474 -5.093 -1.433 1.00 49.73 H new ATOM 0 HG21 VAL A 30 -1.435 -5.558 -1.583 1.00 49.73 H new ATOM 0 HG22 VAL A 30 -2.634 -6.551 -2.445 1.00 49.73 H new ATOM 0 HG23 VAL A 30 -1.317 -5.765 -3.347 1.00 49.73 H new ATOM 448 N PHE A 31 -5.874 -3.510 -4.095 1.00 49.53 N ATOM 449 CA PHE A 31 -6.815 -2.403 -4.211 1.00 50.07 C ATOM 450 C PHE A 31 -6.670 -1.433 -3.045 1.00 50.51 C ATOM 451 O PHE A 31 -6.703 -1.836 -1.882 1.00 49.49 O ATOM 452 CB PHE A 31 -8.251 -2.926 -4.284 1.00 49.82 C ATOM 453 CG PHE A 31 -9.293 -1.845 -4.256 1.00 50.00 C ATOM 454 CD1 PHE A 31 -9.515 -1.047 -5.369 1.00 49.88 C ATOM 455 CD2 PHE A 31 -10.052 -1.623 -3.118 1.00 49.88 C ATOM 456 CE1 PHE A 31 -10.474 -0.052 -5.345 1.00 49.88 C ATOM 457 CE2 PHE A 31 -11.012 -0.629 -3.091 1.00 49.88 C ATOM 458 CZ PHE A 31 -11.221 0.158 -4.207 1.00 49.88 C ATOM 0 H PHE A 31 -6.310 -4.420 -3.948 1.00 49.53 H new ATOM 0 HA PHE A 31 -6.587 -1.866 -5.132 1.00 50.07 H new ATOM 0 HB2 PHE A 31 -8.370 -3.508 -5.198 1.00 49.82 H new ATOM 0 HB3 PHE A 31 -8.423 -3.605 -3.449 1.00 49.82 H new ATOM 0 HD1 PHE A 31 -8.932 -1.205 -6.264 1.00 49.88 H new ATOM 0 HD2 PHE A 31 -9.892 -2.234 -2.242 1.00 49.88 H new ATOM 0 HE1 PHE A 31 -10.638 0.561 -6.219 1.00 49.88 H new ATOM 0 HE2 PHE A 31 -11.598 -0.468 -2.198 1.00 49.88 H new ATOM 0 HZ PHE A 31 -11.969 0.937 -4.187 1.00 49.88 H new ATOM 468 N VAL A 32 -6.513 -0.152 -3.362 1.00 49.53 N ATOM 469 CA VAL A 32 -6.378 0.880 -2.341 1.00 50.07 C ATOM 470 C VAL A 32 -7.416 1.979 -2.530 1.00 50.51 C ATOM 471 O VAL A 32 -7.536 2.553 -3.612 1.00 49.49 O ATOM 472 CB VAL A 32 -4.972 1.508 -2.353 1.00 49.91 C ATOM 473 CG1 VAL A 32 -4.658 2.085 -3.724 1.00 49.73 C ATOM 474 CG2 VAL A 32 -4.862 2.585 -1.285 1.00 49.73 C ATOM 0 H VAL A 32 -6.476 0.197 -4.320 1.00 49.53 H new ATOM 0 HA VAL A 32 -6.539 0.393 -1.379 1.00 50.07 H new ATOM 0 HB VAL A 32 -4.244 0.727 -2.133 1.00 49.91 H new ATOM 0 HG11 VAL A 32 -3.661 2.525 -3.714 1.00 49.73 H new ATOM 0 HG12 VAL A 32 -4.697 1.292 -4.470 1.00 49.73 H new ATOM 0 HG13 VAL A 32 -5.391 2.853 -3.972 1.00 49.73 H new ATOM 0 HG21 VAL A 32 -3.862 3.019 -1.307 1.00 49.73 H new ATOM 0 HG22 VAL A 32 -5.600 3.364 -1.477 1.00 49.73 H new ATOM 0 HG23 VAL A 32 -5.045 2.145 -0.305 1.00 49.73 H new ATOM 484 N HIS A 33 -8.166 2.266 -1.471 1.00 49.53 N ATOM 485 CA HIS A 33 -9.107 3.380 -1.479 1.00 50.07 C ATOM 486 C HIS A 33 -8.531 4.594 -0.763 1.00 50.51 C ATOM 487 O HIS A 33 -7.596 4.473 0.028 1.00 49.49 O ATOM 488 CB HIS A 33 -10.435 2.970 -0.831 1.00 49.92 C ATOM 489 CG HIS A 33 -10.269 2.161 0.419 1.00 50.22 C ATOM 490 ND1 HIS A 33 -10.044 2.735 1.652 1.00 49.30 N ATOM 491 CD2 HIS A 33 -10.293 0.824 0.626 1.00 49.95 C ATOM 492 CE1 HIS A 33 -9.940 1.785 2.565 1.00 50.25 C ATOM 493 NE2 HIS A 33 -10.086 0.617 1.967 1.00 49.64 N ATOM 0 H HIS A 33 -8.140 1.742 -0.596 1.00 49.53 H new ATOM 0 HA HIS A 33 -9.289 3.651 -2.519 1.00 50.07 H new ATOM 0 HB2 HIS A 33 -11.009 3.867 -0.599 1.00 49.92 H new ATOM 0 HB3 HIS A 33 -11.018 2.396 -1.551 1.00 49.92 H new ATOM 0 HD2 HIS A 33 -10.446 0.062 -0.124 1.00 49.95 H new ATOM 0 HE1 HIS A 33 -9.765 1.938 3.620 1.00 50.25 H new ATOM 0 HE2 HIS A 33 -10.051 -0.293 2.427 1.00 49.64 H new ATOM 501 N PHE A 34 -9.094 5.763 -1.046 1.00 49.53 N ATOM 502 CA PHE A 34 -8.587 7.012 -0.490 1.00 50.07 C ATOM 503 C PHE A 34 -8.691 7.021 1.031 1.00 50.51 C ATOM 504 O PHE A 34 -7.940 7.721 1.710 1.00 49.49 O ATOM 505 CB PHE A 34 -9.345 8.204 -1.075 1.00 49.82 C ATOM 506 CG PHE A 34 -10.789 8.267 -0.664 1.00 50.00 C ATOM 507 CD1 PHE A 34 -11.765 7.623 -1.406 1.00 49.88 C ATOM 508 CD2 PHE A 34 -11.172 8.971 0.469 1.00 49.88 C ATOM 509 CE1 PHE A 34 -13.093 7.679 -1.030 1.00 49.88 C ATOM 510 CE2 PHE A 34 -12.500 9.029 0.848 1.00 49.88 C ATOM 511 CZ PHE A 34 -13.461 8.383 0.099 1.00 49.88 C ATOM 0 H PHE A 34 -9.903 5.872 -1.658 1.00 49.53 H new ATOM 0 HA PHE A 34 -7.534 7.094 -0.760 1.00 50.07 H new ATOM 0 HB2 PHE A 34 -8.849 9.124 -0.767 1.00 49.82 H new ATOM 0 HB3 PHE A 34 -9.288 8.160 -2.163 1.00 49.82 H new ATOM 0 HD1 PHE A 34 -11.484 7.070 -2.290 1.00 49.88 H new ATOM 0 HD2 PHE A 34 -10.425 9.479 1.061 1.00 49.88 H new ATOM 0 HE1 PHE A 34 -13.843 7.172 -1.619 1.00 49.88 H new ATOM 0 HE2 PHE A 34 -12.785 9.581 1.732 1.00 49.88 H new ATOM 0 HZ PHE A 34 -14.499 8.428 0.395 1.00 49.88 H new ATOM 521 N SER A 35 -9.627 6.239 1.560 1.00 49.53 N ATOM 522 CA SER A 35 -9.821 6.143 3.002 1.00 50.07 C ATOM 523 C SER A 35 -8.706 5.336 3.654 1.00 50.51 C ATOM 524 O SER A 35 -8.532 5.372 4.873 1.00 49.49 O ATOM 525 CB SER A 35 -11.171 5.523 3.306 1.00 50.05 C ATOM 526 OG SER A 35 -12.232 6.337 2.887 1.00 49.34 O ATOM 0 H SER A 35 -10.264 5.662 1.010 1.00 49.53 H new ATOM 0 HA SER A 35 -9.792 7.150 3.418 1.00 50.07 H new ATOM 0 HB2 SER A 35 -11.243 4.553 2.814 1.00 50.05 H new ATOM 0 HB3 SER A 35 -11.254 5.344 4.378 1.00 50.05 H new ATOM 0 HG SER A 35 -11.894 7.030 2.282 1.00 49.34 H new ATOM 532 N ALA A 36 -7.952 4.608 2.836 1.00 49.53 N ATOM 533 CA ALA A 36 -6.786 3.877 3.317 1.00 50.07 C ATOM 534 C ALA A 36 -5.584 4.800 3.473 1.00 50.51 C ATOM 535 O ALA A 36 -4.621 4.470 4.165 1.00 49.49 O ATOM 536 CB ALA A 36 -6.457 2.727 2.377 1.00 49.73 C ATOM 0 H ALA A 36 -8.128 4.509 1.836 1.00 49.53 H new ATOM 0 HA ALA A 36 -7.025 3.469 4.299 1.00 50.07 H new ATOM 0 HB1 ALA A 36 -5.584 2.191 2.750 1.00 49.73 H new ATOM 0 HB2 ALA A 36 -7.306 2.046 2.324 1.00 49.73 H new ATOM 0 HB3 ALA A 36 -6.245 3.119 1.383 1.00 49.73 H new ATOM 542 N ILE A 37 -5.646 5.959 2.824 1.00 49.53 N ATOM 543 CA ILE A 37 -4.524 6.890 2.812 1.00 50.07 C ATOM 544 C ILE A 37 -4.506 7.749 4.068 1.00 50.51 C ATOM 545 O ILE A 37 -5.491 8.414 4.392 1.00 49.49 O ATOM 546 CB ILE A 37 -4.564 7.806 1.576 1.00 49.91 C ATOM 547 CG1 ILE A 37 -4.491 6.975 0.292 1.00 49.82 C ATOM 548 CG2 ILE A 37 -3.430 8.818 1.625 1.00 49.73 C ATOM 549 CD1 ILE A 37 -4.765 7.769 -0.965 1.00 49.73 C ATOM 0 H ILE A 37 -6.462 6.275 2.300 1.00 49.53 H new ATOM 0 HA ILE A 37 -3.617 6.287 2.777 1.00 50.07 H new ATOM 0 HB ILE A 37 -5.508 8.350 1.580 1.00 49.91 H new ATOM 0 HG12 ILE A 37 -3.501 6.525 0.218 1.00 49.82 H new ATOM 0 HG13 ILE A 37 -5.209 6.158 0.358 1.00 49.82 H new ATOM 0 HG21 ILE A 37 -3.474 9.457 0.743 1.00 49.73 H new ATOM 0 HG22 ILE A 37 -3.527 9.430 2.522 1.00 49.73 H new ATOM 0 HG23 ILE A 37 -2.475 8.293 1.645 1.00 49.73 H new ATOM 0 HD11 ILE A 37 -4.695 7.113 -1.832 1.00 49.73 H new ATOM 0 HD12 ILE A 37 -5.766 8.198 -0.914 1.00 49.73 H new ATOM 0 HD13 ILE A 37 -4.032 8.570 -1.056 1.00 49.73 H new ATOM 561 N GLN A 38 -3.381 7.731 4.776 1.00 49.53 N ATOM 562 CA GLN A 38 -3.286 8.377 6.079 1.00 50.07 C ATOM 563 C GLN A 38 -2.740 9.794 5.954 1.00 50.51 C ATOM 564 O GLN A 38 -2.668 10.530 6.938 1.00 49.49 O ATOM 565 CB GLN A 38 -2.391 7.560 7.017 1.00 49.82 C ATOM 566 CG GLN A 38 -2.870 6.139 7.253 1.00 49.82 C ATOM 567 CD GLN A 38 -4.260 6.089 7.860 1.00 50.55 C ATOM 568 OE1 GLN A 38 -4.557 6.804 8.820 1.00 49.45 O ATOM 569 NE2 GLN A 38 -5.117 5.239 7.305 1.00 49.38 N ATOM 0 H GLN A 38 -2.522 7.275 4.468 1.00 49.53 H new ATOM 0 HA GLN A 38 -4.292 8.430 6.496 1.00 50.07 H new ATOM 0 HB2 GLN A 38 -1.383 7.528 6.603 1.00 49.82 H new ATOM 0 HB3 GLN A 38 -2.325 8.073 7.976 1.00 49.82 H new ATOM 0 HG2 GLN A 38 -2.870 5.597 6.307 1.00 49.82 H new ATOM 0 HG3 GLN A 38 -2.170 5.628 7.913 1.00 49.82 H new ATOM 0 HE21 GLN A 38 -4.827 4.667 6.512 1.00 49.38 H new ATOM 0 HE22 GLN A 38 -6.065 5.158 7.672 1.00 49.38 H new ATOM 578 N ASN A 39 -2.358 10.169 4.737 1.00 49.53 N ATOM 579 CA ASN A 39 -1.840 11.507 4.477 1.00 50.07 C ATOM 580 C ASN A 39 -2.856 12.576 4.861 1.00 50.51 C ATOM 581 O ASN A 39 -3.989 12.570 4.380 1.00 49.49 O ATOM 582 CB ASN A 39 -1.431 11.670 3.025 1.00 49.82 C ATOM 583 CG ASN A 39 -0.722 12.964 2.737 1.00 50.55 C ATOM 584 OD1 ASN A 39 -0.162 13.602 3.637 1.00 49.45 O ATOM 585 ND2 ASN A 39 -0.812 13.395 1.505 1.00 49.38 N ATOM 0 H ASN A 39 -2.398 9.565 3.916 1.00 49.53 H new ATOM 0 HA ASN A 39 -0.953 11.635 5.098 1.00 50.07 H new ATOM 0 HB2 ASN A 39 -0.782 10.840 2.745 1.00 49.82 H new ATOM 0 HB3 ASN A 39 -2.320 11.606 2.397 1.00 49.82 H new ATOM 0 HD21 ASN A 39 -0.409 14.297 1.249 1.00 49.38 H new ATOM 0 HD22 ASN A 39 -1.285 12.829 0.800 1.00 49.38 H new ATOM 592 N ASP A 40 -2.443 13.492 5.729 1.00 49.53 N ATOM 593 CA ASP A 40 -3.318 14.568 6.182 1.00 50.07 C ATOM 594 C ASP A 40 -3.689 15.494 5.031 1.00 50.51 C ATOM 595 O ASP A 40 -2.928 15.657 4.079 1.00 49.49 O ATOM 596 CB ASP A 40 -2.650 15.365 7.304 1.00 49.72 C ATOM 597 CG ASP A 40 -2.572 14.633 8.637 1.00 50.62 C ATOM 598 OD1 ASP A 40 -3.185 13.599 8.759 1.00 49.24 O ATOM 599 OD2 ASP A 40 -1.783 15.025 9.463 1.00 49.24 O ATOM 0 H ASP A 40 -1.507 13.512 6.134 1.00 49.53 H new ATOM 0 HA ASP A 40 -4.233 14.116 6.566 1.00 50.07 H new ATOM 0 HB2 ASP A 40 -1.641 15.633 6.991 1.00 49.72 H new ATOM 0 HB3 ASP A 40 -3.198 16.297 7.447 1.00 49.72 H new ATOM 604 N GLY A 41 -4.867 16.104 5.127 1.00 49.53 N ATOM 605 CA GLY A 41 -5.348 17.008 4.090 1.00 49.98 C ATOM 606 C GLY A 41 -5.820 16.237 2.862 1.00 50.51 C ATOM 607 O GLY A 41 -6.840 15.551 2.903 1.00 49.49 O ATOM 0 H GLY A 41 -5.506 15.988 5.914 1.00 49.53 H new ATOM 0 HA2 GLY A 41 -6.167 17.611 4.481 1.00 49.98 H new ATOM 0 HA3 GLY A 41 -4.552 17.697 3.807 1.00 49.98 H new ATOM 611 N TYR A 42 -5.069 16.357 1.772 1.00 49.53 N ATOM 612 CA TYR A 42 -5.393 15.648 0.539 1.00 50.07 C ATOM 613 C TYR A 42 -4.976 14.186 0.618 1.00 50.51 C ATOM 614 O TYR A 42 -3.876 13.868 1.073 1.00 49.49 O ATOM 615 CB TYR A 42 -4.719 16.323 -0.658 1.00 49.82 C ATOM 616 CG TYR A 42 -5.328 17.657 -1.032 1.00 50.00 C ATOM 617 CD1 TYR A 42 -6.447 17.724 -1.848 1.00 49.88 C ATOM 618 CD2 TYR A 42 -4.779 18.844 -0.572 1.00 49.88 C ATOM 619 CE1 TYR A 42 -7.007 18.938 -2.194 1.00 49.88 C ATOM 620 CE2 TYR A 42 -5.329 20.066 -0.910 1.00 49.88 C ATOM 621 CZ TYR A 42 -6.444 20.108 -1.722 1.00 50.11 C ATOM 622 OH TYR A 42 -6.998 21.321 -2.064 1.00 49.46 O ATOM 0 H TYR A 42 -4.232 16.938 1.717 1.00 49.53 H new ATOM 0 HA TYR A 42 -6.474 15.686 0.406 1.00 50.07 H new ATOM 0 HB2 TYR A 42 -3.662 16.467 -0.434 1.00 49.82 H new ATOM 0 HB3 TYR A 42 -4.774 15.655 -1.518 1.00 49.82 H new ATOM 0 HD1 TYR A 42 -6.888 16.811 -2.219 1.00 49.88 H new ATOM 0 HD2 TYR A 42 -3.905 18.813 0.062 1.00 49.88 H new ATOM 0 HE1 TYR A 42 -7.880 18.973 -2.830 1.00 49.88 H new ATOM 0 HE2 TYR A 42 -4.890 20.981 -0.541 1.00 49.88 H new ATOM 0 HH TYR A 42 -6.483 22.044 -1.649 1.00 49.46 H new ATOM 632 N LYS A 43 -5.858 13.300 0.171 1.00 49.53 N ATOM 633 CA LYS A 43 -5.598 11.865 0.224 1.00 50.07 C ATOM 634 C LYS A 43 -5.588 11.255 -1.172 1.00 50.51 C ATOM 635 O LYS A 43 -6.620 10.805 -1.670 1.00 49.49 O ATOM 636 CB LYS A 43 -6.639 11.164 1.098 1.00 49.82 C ATOM 637 CG LYS A 43 -6.605 11.570 2.566 1.00 49.82 C ATOM 638 CD LYS A 43 -7.614 10.777 3.381 1.00 49.82 C ATOM 639 CE LYS A 43 -7.556 11.156 4.855 1.00 50.21 C ATOM 640 NZ LYS A 43 -6.191 10.978 5.421 1.00 49.70 N ATOM 0 H LYS A 43 -6.761 13.550 -0.233 1.00 49.53 H new ATOM 0 HA LYS A 43 -4.612 11.721 0.665 1.00 50.07 H new ATOM 0 HB2 LYS A 43 -7.631 11.374 0.699 1.00 49.82 H new ATOM 0 HB3 LYS A 43 -6.488 10.087 1.028 1.00 49.82 H new ATOM 0 HG2 LYS A 43 -5.604 11.410 2.967 1.00 49.82 H new ATOM 0 HG3 LYS A 43 -6.818 12.635 2.656 1.00 49.82 H new ATOM 0 HD2 LYS A 43 -8.618 10.958 2.996 1.00 49.82 H new ATOM 0 HD3 LYS A 43 -7.417 9.711 3.270 1.00 49.82 H new ATOM 0 HE2 LYS A 43 -7.866 12.194 4.975 1.00 50.21 H new ATOM 0 HE3 LYS A 43 -8.264 10.545 5.415 1.00 50.21 H new ATOM 0 HZ1 LYS A 43 -6.233 11.048 6.458 1.00 49.70 H new ATOM 0 HZ2 LYS A 43 -5.823 10.043 5.152 1.00 49.70 H new ATOM 0 HZ3 LYS A 43 -5.562 11.718 5.050 1.00 49.70 H new ATOM 654 N SER A 44 -4.418 11.242 -1.799 1.00 49.53 N ATOM 655 CA SER A 44 -4.261 10.641 -3.118 1.00 50.07 C ATOM 656 C SER A 44 -2.835 10.150 -3.333 1.00 50.51 C ATOM 657 O SER A 44 -1.898 10.643 -2.706 1.00 49.49 O ATOM 658 CB SER A 44 -4.645 11.637 -4.194 1.00 50.05 C ATOM 659 OG SER A 44 -3.762 12.723 -4.247 1.00 49.34 O ATOM 0 H SER A 44 -3.562 11.642 -1.414 1.00 49.53 H new ATOM 0 HA SER A 44 -4.925 9.779 -3.180 1.00 50.07 H new ATOM 0 HB2 SER A 44 -4.661 11.136 -5.162 1.00 50.05 H new ATOM 0 HB3 SER A 44 -5.655 12.001 -4.007 1.00 50.05 H new ATOM 0 HG SER A 44 -4.044 13.340 -4.954 1.00 49.34 H new ATOM 665 N LEU A 45 -2.678 9.175 -4.223 1.00 49.53 N ATOM 666 CA LEU A 45 -1.367 8.605 -4.512 1.00 50.07 C ATOM 667 C LEU A 45 -0.882 9.016 -5.896 1.00 50.51 C ATOM 668 O LEU A 45 -1.648 9.014 -6.859 1.00 49.49 O ATOM 669 CB LEU A 45 -1.418 7.076 -4.395 1.00 49.82 C ATOM 670 CG LEU A 45 -1.881 6.541 -3.034 1.00 49.91 C ATOM 671 CD1 LEU A 45 -1.965 5.021 -3.072 1.00 49.73 C ATOM 672 CD2 LEU A 45 -0.915 7.000 -1.952 1.00 49.73 C ATOM 0 H LEU A 45 -3.443 8.763 -4.757 1.00 49.53 H new ATOM 0 HA LEU A 45 -0.659 8.993 -3.780 1.00 50.07 H new ATOM 0 HB2 LEU A 45 -2.086 6.691 -5.165 1.00 49.82 H new ATOM 0 HB3 LEU A 45 -0.425 6.678 -4.605 1.00 49.82 H new ATOM 0 HG LEU A 45 -2.873 6.932 -2.808 1.00 49.91 H new ATOM 0 HD11 LEU A 45 -2.294 4.650 -2.101 1.00 49.73 H new ATOM 0 HD12 LEU A 45 -2.677 4.715 -3.838 1.00 49.73 H new ATOM 0 HD13 LEU A 45 -0.983 4.608 -3.304 1.00 49.73 H new ATOM 0 HD21 LEU A 45 -1.244 6.620 -0.985 1.00 49.73 H new ATOM 0 HD22 LEU A 45 0.083 6.620 -2.170 1.00 49.73 H new ATOM 0 HD23 LEU A 45 -0.891 8.089 -1.924 1.00 49.73 H new ATOM 684 N ASP A 46 0.397 9.367 -5.988 1.00 49.53 N ATOM 685 CA ASP A 46 0.999 9.740 -7.263 1.00 50.07 C ATOM 686 C ASP A 46 1.578 8.527 -7.975 1.00 50.51 C ATOM 687 O ASP A 46 2.315 7.739 -7.382 1.00 49.49 O ATOM 688 CB ASP A 46 2.087 10.797 -7.053 1.00 49.72 C ATOM 689 CG ASP A 46 1.561 12.181 -6.696 1.00 50.62 C ATOM 690 OD1 ASP A 46 0.391 12.417 -6.886 1.00 49.24 O ATOM 691 OD2 ASP A 46 2.289 12.934 -6.096 1.00 49.24 O ATOM 0 H ASP A 46 1.037 9.401 -5.194 1.00 49.53 H new ATOM 0 HA ASP A 46 0.214 10.160 -7.892 1.00 50.07 H new ATOM 0 HB2 ASP A 46 2.755 10.460 -6.260 1.00 49.72 H new ATOM 0 HB3 ASP A 46 2.684 10.872 -7.962 1.00 49.72 H new ATOM 696 N GLU A 47 1.240 8.380 -9.253 1.00 49.53 N ATOM 697 CA GLU A 47 1.687 7.235 -10.036 1.00 50.07 C ATOM 698 C GLU A 47 3.202 7.095 -9.996 1.00 50.51 C ATOM 699 O GLU A 47 3.931 8.027 -10.338 1.00 49.49 O ATOM 700 CB GLU A 47 1.209 7.357 -11.484 1.00 49.82 C ATOM 701 CG GLU A 47 1.539 6.156 -12.361 1.00 49.72 C ATOM 702 CD GLU A 47 0.985 6.323 -13.747 1.00 50.62 C ATOM 703 OE1 GLU A 47 0.307 7.293 -13.983 1.00 49.24 O ATOM 704 OE2 GLU A 47 1.331 5.541 -14.601 1.00 49.24 O ATOM 0 H GLU A 47 0.658 9.041 -9.768 1.00 49.53 H new ATOM 0 HA GLU A 47 1.251 6.340 -9.593 1.00 50.07 H new ATOM 0 HB2 GLU A 47 0.129 7.506 -11.486 1.00 49.82 H new ATOM 0 HB3 GLU A 47 1.655 8.248 -11.927 1.00 49.82 H new ATOM 0 HG2 GLU A 47 2.620 6.027 -12.412 1.00 49.72 H new ATOM 0 HG3 GLU A 47 1.131 5.251 -11.911 1.00 49.72 H new ATOM 711 N GLY A 48 3.674 5.926 -9.575 1.00 49.53 N ATOM 712 CA GLY A 48 5.106 5.663 -9.493 1.00 49.98 C ATOM 713 C GLY A 48 5.635 5.929 -8.090 1.00 50.51 C ATOM 714 O GLY A 48 6.822 5.738 -7.817 1.00 49.49 O ATOM 0 H GLY A 48 3.085 5.145 -9.285 1.00 49.53 H new ATOM 0 HA2 GLY A 48 5.305 4.627 -9.769 1.00 49.98 H new ATOM 0 HA3 GLY A 48 5.635 6.291 -10.209 1.00 49.98 H new ATOM 718 N GLN A 49 4.751 6.370 -7.202 1.00 49.53 N ATOM 719 CA GLN A 49 5.126 6.654 -5.822 1.00 50.07 C ATOM 720 C GLN A 49 5.236 5.373 -5.006 1.00 50.51 C ATOM 721 O GLN A 49 4.286 4.595 -4.923 1.00 49.49 O ATOM 722 CB GLN A 49 4.108 7.594 -5.173 1.00 49.82 C ATOM 723 CG GLN A 49 4.454 7.999 -3.750 1.00 49.82 C ATOM 724 CD GLN A 49 3.472 9.005 -3.180 1.00 50.55 C ATOM 725 OE1 GLN A 49 2.479 9.360 -3.823 1.00 49.45 O ATOM 726 NE2 GLN A 49 3.745 9.476 -1.968 1.00 49.38 N ATOM 0 H GLN A 49 3.768 6.539 -7.414 1.00 49.53 H new ATOM 0 HA GLN A 49 6.102 7.138 -5.837 1.00 50.07 H new ATOM 0 HB2 GLN A 49 4.019 8.493 -5.783 1.00 49.82 H new ATOM 0 HB3 GLN A 49 3.131 7.110 -5.174 1.00 49.82 H new ATOM 0 HG2 GLN A 49 4.470 7.112 -3.117 1.00 49.82 H new ATOM 0 HG3 GLN A 49 5.458 8.424 -3.730 1.00 49.82 H new ATOM 0 HE21 GLN A 49 4.577 9.156 -1.472 1.00 49.38 H new ATOM 0 HE22 GLN A 49 3.123 10.158 -1.534 1.00 49.38 H new ATOM 735 N LYS A 50 6.402 5.158 -4.406 1.00 49.53 N ATOM 736 CA LYS A 50 6.602 4.031 -3.502 1.00 50.07 C ATOM 737 C LYS A 50 5.952 4.287 -2.149 1.00 50.51 C ATOM 738 O LYS A 50 6.202 5.311 -1.514 1.00 49.49 O ATOM 739 CB LYS A 50 8.094 3.747 -3.323 1.00 49.82 C ATOM 740 CG LYS A 50 8.405 2.449 -2.589 1.00 49.82 C ATOM 741 CD LYS A 50 9.890 2.326 -2.287 1.00 49.82 C ATOM 742 CE LYS A 50 10.694 2.075 -3.554 1.00 50.21 C ATOM 743 NZ LYS A 50 12.145 1.904 -3.267 1.00 49.70 N ATOM 0 H LYS A 50 7.223 5.750 -4.530 1.00 49.53 H new ATOM 0 HA LYS A 50 6.126 3.158 -3.948 1.00 50.07 H new ATOM 0 HB2 LYS A 50 8.566 3.717 -4.305 1.00 49.82 H new ATOM 0 HB3 LYS A 50 8.546 4.576 -2.778 1.00 49.82 H new ATOM 0 HG2 LYS A 50 7.838 2.410 -1.659 1.00 49.82 H new ATOM 0 HG3 LYS A 50 8.083 1.601 -3.194 1.00 49.82 H new ATOM 0 HD2 LYS A 50 10.242 3.238 -1.805 1.00 49.82 H new ATOM 0 HD3 LYS A 50 10.054 1.510 -1.583 1.00 49.82 H new ATOM 0 HE2 LYS A 50 10.315 1.183 -4.053 1.00 50.21 H new ATOM 0 HE3 LYS A 50 10.556 2.909 -4.242 1.00 50.21 H new ATOM 0 HZ1 LYS A 50 12.657 1.735 -4.156 1.00 49.70 H new ATOM 0 HZ2 LYS A 50 12.513 2.765 -2.814 1.00 49.70 H new ATOM 0 HZ3 LYS A 50 12.280 1.093 -2.630 1.00 49.70 H new ATOM 757 N VAL A 51 5.116 3.351 -1.714 1.00 49.53 N ATOM 758 CA VAL A 51 4.342 3.524 -0.490 1.00 50.07 C ATOM 759 C VAL A 51 4.431 2.292 0.398 1.00 50.51 C ATOM 760 O VAL A 51 4.742 1.196 -0.072 1.00 49.49 O ATOM 761 CB VAL A 51 2.861 3.819 -0.796 1.00 49.91 C ATOM 762 CG1 VAL A 51 2.722 5.144 -1.533 1.00 49.73 C ATOM 763 CG2 VAL A 51 2.252 2.691 -1.613 1.00 49.73 C ATOM 0 H VAL A 51 4.957 2.464 -2.191 1.00 49.53 H new ATOM 0 HA VAL A 51 4.772 4.377 0.035 1.00 50.07 H new ATOM 0 HB VAL A 51 2.322 3.892 0.149 1.00 49.91 H new ATOM 0 HG11 VAL A 51 1.669 5.336 -1.741 1.00 49.73 H new ATOM 0 HG12 VAL A 51 3.122 5.948 -0.915 1.00 49.73 H new ATOM 0 HG13 VAL A 51 3.275 5.098 -2.471 1.00 49.73 H new ATOM 0 HG21 VAL A 51 1.206 2.916 -1.820 1.00 49.73 H new ATOM 0 HG22 VAL A 51 2.794 2.589 -2.553 1.00 49.73 H new ATOM 0 HG23 VAL A 51 2.319 1.759 -1.052 1.00 49.73 H new ATOM 773 N SER A 52 4.158 2.474 1.685 1.00 49.53 N ATOM 774 CA SER A 52 4.065 1.356 2.615 1.00 50.07 C ATOM 775 C SER A 52 2.669 1.256 3.219 1.00 50.51 C ATOM 776 O SER A 52 2.083 2.262 3.620 1.00 49.49 O ATOM 777 CB SER A 52 5.105 1.498 3.710 1.00 50.05 C ATOM 778 OG SER A 52 4.986 0.495 4.682 1.00 49.34 O ATOM 0 H SER A 52 3.997 3.388 2.108 1.00 49.53 H new ATOM 0 HA SER A 52 4.257 0.437 2.061 1.00 50.07 H new ATOM 0 HB2 SER A 52 6.102 1.460 3.270 1.00 50.05 H new ATOM 0 HB3 SER A 52 5.002 2.475 4.183 1.00 50.05 H new ATOM 0 HG SER A 52 5.674 0.621 5.368 1.00 49.34 H new ATOM 784 N PHE A 53 2.141 0.038 3.279 1.00 49.53 N ATOM 785 CA PHE A 53 0.771 -0.181 3.724 1.00 50.07 C ATOM 786 C PHE A 53 0.603 -1.569 4.332 1.00 50.51 C ATOM 787 O PHE A 53 1.549 -2.355 4.374 1.00 49.49 O ATOM 788 CB PHE A 53 -0.204 0.003 2.560 1.00 49.82 C ATOM 789 CG PHE A 53 0.040 -0.933 1.410 1.00 50.00 C ATOM 790 CD1 PHE A 53 1.012 -0.652 0.461 1.00 49.88 C ATOM 791 CD2 PHE A 53 -0.702 -2.098 1.276 1.00 49.88 C ATOM 792 CE1 PHE A 53 1.236 -1.510 -0.596 1.00 49.88 C ATOM 793 CE2 PHE A 53 -0.477 -2.959 0.219 1.00 49.88 C ATOM 794 CZ PHE A 53 0.491 -2.665 -0.718 1.00 49.88 C ATOM 0 H PHE A 53 2.642 -0.813 3.025 1.00 49.53 H new ATOM 0 HA PHE A 53 0.549 0.557 4.494 1.00 50.07 H new ATOM 0 HB2 PHE A 53 -1.221 -0.141 2.924 1.00 49.82 H new ATOM 0 HB3 PHE A 53 -0.137 1.030 2.201 1.00 49.82 H new ATOM 0 HD1 PHE A 53 1.600 0.249 0.551 1.00 49.88 H new ATOM 0 HD2 PHE A 53 -1.463 -2.334 2.005 1.00 49.88 H new ATOM 0 HE1 PHE A 53 1.995 -1.277 -1.328 1.00 49.88 H new ATOM 0 HE2 PHE A 53 -1.060 -3.863 0.127 1.00 49.88 H new ATOM 0 HZ PHE A 53 0.666 -3.337 -1.545 1.00 49.88 H new ATOM 804 N THR A 54 -0.604 -1.863 4.802 1.00 49.53 N ATOM 805 CA THR A 54 -0.939 -3.202 5.269 1.00 50.07 C ATOM 806 C THR A 54 -2.124 -3.772 4.501 1.00 50.51 C ATOM 807 O THR A 54 -2.974 -3.029 4.011 1.00 49.49 O ATOM 808 CB THR A 54 -1.264 -3.211 6.773 1.00 50.14 C ATOM 809 OG1 THR A 54 -2.382 -2.351 7.029 1.00 49.34 O ATOM 810 CG2 THR A 54 -0.068 -2.732 7.581 1.00 49.73 C ATOM 0 H THR A 54 -1.368 -1.190 4.870 1.00 49.53 H new ATOM 0 HA THR A 54 -0.062 -3.824 5.093 1.00 50.07 H new ATOM 0 HB THR A 54 -1.505 -4.232 7.070 1.00 50.14 H new ATOM 0 HG1 THR A 54 -2.883 -2.687 7.801 1.00 49.34 H new ATOM 0 HG21 THR A 54 -0.317 -2.745 8.642 1.00 49.73 H new ATOM 0 HG22 THR A 54 0.781 -3.391 7.399 1.00 49.73 H new ATOM 0 HG23 THR A 54 0.190 -1.716 7.282 1.00 49.73 H new ATOM 818 N ILE A 55 -2.175 -5.096 4.398 1.00 49.53 N ATOM 819 CA ILE A 55 -3.256 -5.768 3.688 1.00 50.07 C ATOM 820 C ILE A 55 -4.211 -6.452 4.660 1.00 50.51 C ATOM 821 O ILE A 55 -3.806 -7.314 5.440 1.00 49.49 O ATOM 822 CB ILE A 55 -2.717 -6.812 2.692 1.00 49.91 C ATOM 823 CG1 ILE A 55 -1.813 -6.141 1.655 1.00 49.82 C ATOM 824 CG2 ILE A 55 -3.864 -7.541 2.013 1.00 49.73 C ATOM 825 CD1 ILE A 55 -1.063 -7.118 0.778 1.00 49.73 C ATOM 0 H ILE A 55 -1.479 -5.725 4.798 1.00 49.53 H new ATOM 0 HA ILE A 55 -3.794 -4.998 3.135 1.00 50.07 H new ATOM 0 HB ILE A 55 -2.125 -7.544 3.242 1.00 49.91 H new ATOM 0 HG12 ILE A 55 -2.419 -5.491 1.024 1.00 49.82 H new ATOM 0 HG13 ILE A 55 -1.094 -5.504 2.171 1.00 49.82 H new ATOM 0 HG21 ILE A 55 -3.465 -8.275 1.313 1.00 49.73 H new ATOM 0 HG22 ILE A 55 -4.469 -8.048 2.765 1.00 49.73 H new ATOM 0 HG23 ILE A 55 -4.483 -6.824 1.474 1.00 49.73 H new ATOM 0 HD11 ILE A 55 -0.444 -6.569 0.069 1.00 49.73 H new ATOM 0 HD12 ILE A 55 -0.429 -7.752 1.399 1.00 49.73 H new ATOM 0 HD13 ILE A 55 -1.775 -7.739 0.234 1.00 49.73 H new ATOM 923 N ALA A 63 -7.901 -5.674 1.153 1.00 49.53 N ATOM 924 CA ALA A 63 -7.763 -4.285 0.732 1.00 50.07 C ATOM 925 C ALA A 63 -6.622 -3.597 1.471 1.00 50.51 C ATOM 926 O ALA A 63 -6.253 -3.997 2.575 1.00 49.49 O ATOM 927 CB ALA A 63 -9.068 -3.534 0.948 1.00 49.73 C ATOM 0 HA ALA A 63 -7.526 -4.276 -0.332 1.00 50.07 H new ATOM 0 HB1 ALA A 63 -8.949 -2.499 0.629 1.00 49.73 H new ATOM 0 HB2 ALA A 63 -9.859 -4.005 0.365 1.00 49.73 H new ATOM 0 HB3 ALA A 63 -9.332 -3.560 2.005 1.00 49.73 H new ATOM 933 N ALA A 64 -6.066 -2.558 0.856 1.00 49.53 N ATOM 934 CA ALA A 64 -4.957 -1.821 1.448 1.00 50.07 C ATOM 935 C ALA A 64 -5.436 -0.922 2.581 1.00 50.51 C ATOM 936 O ALA A 64 -6.537 -0.373 2.527 1.00 49.49 O ATOM 937 CB ALA A 64 -4.238 -1.002 0.385 1.00 49.73 C ATOM 0 H ALA A 64 -6.366 -2.208 -0.054 1.00 49.53 H new ATOM 0 HA ALA A 64 -4.257 -2.544 1.867 1.00 50.07 H new ATOM 0 HB1 ALA A 64 -3.412 -0.457 0.842 1.00 49.73 H new ATOM 0 HB2 ALA A 64 -3.851 -1.667 -0.387 1.00 49.73 H new ATOM 0 HB3 ALA A 64 -4.936 -0.294 -0.063 1.00 49.73 H new ATOM 943 N GLY A 65 -4.603 -0.776 3.606 1.00 49.53 N ATOM 944 CA GLY A 65 -4.878 0.160 4.689 1.00 49.98 C ATOM 945 C GLY A 65 -3.588 0.724 5.270 1.00 50.51 C ATOM 946 O GLY A 65 -2.496 0.253 4.956 1.00 49.49 O ATOM 0 H GLY A 65 -3.731 -1.295 3.709 1.00 49.53 H new ATOM 0 HA2 GLY A 65 -5.500 0.975 4.320 1.00 49.98 H new ATOM 0 HA3 GLY A 65 -5.444 -0.343 5.473 1.00 49.98 H new ATOM 950 N ASN A 66 -3.721 1.737 6.120 1.00 49.53 N ATOM 951 CA ASN A 66 -2.565 2.384 6.729 1.00 50.07 C ATOM 952 C ASN A 66 -1.561 2.824 5.672 1.00 50.51 C ATOM 953 O ASN A 66 -0.352 2.669 5.848 1.00 49.49 O ATOM 954 CB ASN A 66 -1.894 1.478 7.745 1.00 49.82 C ATOM 955 CG ASN A 66 -2.791 1.078 8.884 1.00 50.55 C ATOM 956 OD1 ASN A 66 -3.269 1.921 9.651 1.00 49.45 O ATOM 957 ND2 ASN A 66 -2.955 -0.211 9.048 1.00 49.38 N ATOM 0 H ASN A 66 -4.620 2.128 6.403 1.00 49.53 H new ATOM 0 HA ASN A 66 -2.929 3.270 7.250 1.00 50.07 H new ATOM 0 HB2 ASN A 66 -1.541 0.579 7.240 1.00 49.82 H new ATOM 0 HB3 ASN A 66 -1.016 1.984 8.146 1.00 49.82 H new ATOM 0 HD21 ASN A 66 -3.498 -0.560 9.838 1.00 49.38 H new ATOM 0 HD22 ASN A 66 -2.539 -0.866 8.386 1.00 49.38 H new ATOM 964 N VAL A 67 -2.067 3.375 4.574 1.00 49.53 N ATOM 965 CA VAL A 67 -1.227 3.726 3.436 1.00 50.07 C ATOM 966 C VAL A 67 -0.484 5.033 3.680 1.00 50.51 C ATOM 967 O VAL A 67 -1.098 6.066 3.948 1.00 49.49 O ATOM 968 CB VAL A 67 -2.054 3.850 2.141 1.00 49.91 C ATOM 969 CG1 VAL A 67 -1.169 4.293 0.985 1.00 49.73 C ATOM 970 CG2 VAL A 67 -2.733 2.529 1.815 1.00 49.73 C ATOM 0 H VAL A 67 -3.057 3.588 4.448 1.00 49.53 H new ATOM 0 HA VAL A 67 -0.504 2.919 3.319 1.00 50.07 H new ATOM 0 HB VAL A 67 -2.825 4.605 2.295 1.00 49.91 H new ATOM 0 HG11 VAL A 67 -1.769 4.376 0.079 1.00 49.73 H new ATOM 0 HG12 VAL A 67 -0.726 5.262 1.216 1.00 49.73 H new ATOM 0 HG13 VAL A 67 -0.378 3.560 0.831 1.00 49.73 H new ATOM 0 HG21 VAL A 67 -3.313 2.634 0.898 1.00 49.73 H new ATOM 0 HG22 VAL A 67 -1.977 1.755 1.680 1.00 49.73 H new ATOM 0 HG23 VAL A 67 -3.396 2.249 2.633 1.00 49.73 H new ATOM 980 N THR A 68 0.841 4.982 3.586 1.00 49.53 N ATOM 981 CA THR A 68 1.666 6.172 3.743 1.00 50.07 C ATOM 982 C THR A 68 2.855 6.146 2.791 1.00 50.51 C ATOM 983 O THR A 68 3.299 5.081 2.366 1.00 49.49 O ATOM 984 CB THR A 68 2.180 6.319 5.187 1.00 50.14 C ATOM 985 OG1 THR A 68 2.864 7.570 5.327 1.00 49.34 O ATOM 986 CG2 THR A 68 3.130 5.183 5.532 1.00 49.73 C ATOM 0 H THR A 68 1.366 4.127 3.402 1.00 49.53 H new ATOM 0 HA THR A 68 1.032 7.026 3.506 1.00 50.07 H new ATOM 0 HB THR A 68 1.328 6.285 5.867 1.00 50.14 H new ATOM 0 HG1 THR A 68 3.189 7.664 6.247 1.00 49.34 H new ATOM 0 HG21 THR A 68 3.484 5.303 6.556 1.00 49.73 H new ATOM 0 HG22 THR A 68 2.608 4.231 5.437 1.00 49.73 H new ATOM 0 HG23 THR A 68 3.980 5.200 4.850 1.00 49.73 H new ATOM 994 N SER A 69 3.367 7.328 2.460 1.00 49.53 N ATOM 995 CA SER A 69 4.492 7.445 1.540 1.00 50.07 C ATOM 996 C SER A 69 5.734 6.762 2.099 1.00 50.51 C ATOM 997 O SER A 69 6.018 6.852 3.294 1.00 49.49 O ATOM 998 CB SER A 69 4.776 8.903 1.245 1.00 50.05 C ATOM 999 OG SER A 69 5.815 9.061 0.317 1.00 49.34 O ATOM 0 H SER A 69 3.020 8.219 2.816 1.00 49.53 H new ATOM 0 HA SER A 69 4.225 6.942 0.610 1.00 50.07 H new ATOM 0 HB2 SER A 69 3.873 9.377 0.861 1.00 50.05 H new ATOM 0 HB3 SER A 69 5.037 9.416 2.171 1.00 50.05 H new ATOM 0 HG SER A 69 5.965 10.016 0.153 1.00 49.34 H new ATOM 1005 N LEU A 70 6.472 6.082 1.228 1.00 49.53 N ATOM 1006 CA LEU A 70 7.673 5.363 1.640 1.00 50.07 C ATOM 1007 C LEU A 70 8.904 5.891 0.915 1.00 50.51 C ATOM 1008 O LEU A 70 10.016 5.409 1.130 1.00 49.49 O ATOM 1009 CB LEU A 70 7.505 3.860 1.384 1.00 49.82 C ATOM 1010 CG LEU A 70 8.731 3.001 1.716 1.00 49.91 C ATOM 1011 CD1 LEU A 70 8.990 3.019 3.217 1.00 49.73 C ATOM 1012 CD2 LEU A 70 8.505 1.579 1.225 1.00 49.73 C ATOM 0 H LEU A 70 6.260 6.013 0.233 1.00 49.53 H new ATOM 0 HA LEU A 70 7.817 5.525 2.708 1.00 50.07 H new ATOM 0 HB2 LEU A 70 6.659 3.500 1.970 1.00 49.82 H new ATOM 0 HB3 LEU A 70 7.251 3.712 0.334 1.00 49.82 H new ATOM 0 HG LEU A 70 9.608 3.410 1.213 1.00 49.91 H new ATOM 0 HD11 LEU A 70 9.863 2.406 3.443 1.00 49.73 H new ATOM 0 HD12 LEU A 70 9.172 4.043 3.543 1.00 49.73 H new ATOM 0 HD13 LEU A 70 8.121 2.620 3.741 1.00 49.73 H new ATOM 0 HD21 LEU A 70 9.377 0.969 1.462 1.00 49.73 H new ATOM 0 HD22 LEU A 70 7.626 1.160 1.715 1.00 49.73 H new ATOM 0 HD23 LEU A 70 8.350 1.587 0.146 1.00 49.73 H new