USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 754 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 48 LYS NZ :NH3+ -169:sc= -0.125 (180deg=-0.331) USER MOD Set 1.2: A 84 TYR OH : rot 20:sc= -6.32! USER MOD Set 2.1: A 49 ASN : amide:sc= -2.69 K(o=-3.2,f=-13!) USER MOD Set 2.2: A 83 ASN : amide:sc= -0.539 K(o=-3.2,f=-5.8!) USER MOD Set 3.1: A 51 LYS NZ :NH3+ -154:sc= -0.354 (180deg=-1.85!) USER MOD Set 3.2: A 81 LYS NZ :NH3+ 177:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.256 X(o=-0.26,f=-0.74) USER MOD Single : A 6 LYS NZ :NH3+ -113:sc= 0.0032 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.438 USER MOD Single : A 13 ASN : amide:sc= -0.0881 X(o=-0.088,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.142 USER MOD Single : A 16 LYS NZ :NH3+ 161:sc= 0.0261 (180deg=0.00119) USER MOD Single : A 17 MET CE :methyl -153:sc= -0.43 (180deg=-2.02!) USER MOD Single : A 19 LYS NZ :NH3+ -137:sc= 0.107 (180deg=-0.932) USER MOD Single : A 28 ASN : amide:sc= -0.576 K(o=-0.58,f=0.018) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -6.42! C(o=-6.4!,f=-9.9!) USER MOD Single : A 41 MET CE :methyl -129:sc= -0.743 (180deg=-3.02!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 176:sc= 0 (180deg=-0.00821) USER MOD Single : A 54 LYS NZ :NH3+ -103:sc= 0.0294 (180deg=-3.39!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= -1.29 X(o=-1.3,f=-1.1) USER MOD Single : A 68 HIS : no HD1:sc= -4.55! C(o=-4.5!,f=-5.2!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl -115:sc= -4.81! (180deg=-5.65!) USER MOD Single : A 75 SER OG : rot -6:sc= 0.828 USER MOD Single : A 79 SER OG : rot 130:sc= -0.182 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -4.8! C(o=-4.8!,f=-4.6!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -1.22 K(o=-1.2,f=-0.5) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot -81:sc= -0.689 USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=-0.054) USER MOD ----------------------------------------------------------------- ATOM 15 N ASN A 5 -1.232 22.212 -3.898 1.00 0.76 N ATOM 16 CA ASN A 5 -0.603 21.881 -2.624 1.00 0.53 C ATOM 17 C ASN A 5 -1.151 20.555 -2.095 1.00 0.49 C ATOM 18 O ASN A 5 -1.616 19.719 -2.870 1.00 0.60 O ATOM 19 CB ASN A 5 -0.840 22.995 -1.593 1.00 0.52 C ATOM 20 CG ASN A 5 -1.000 24.367 -2.222 1.00 0.63 C ATOM 21 OD1 ASN A 5 -0.353 24.686 -3.218 1.00 1.19 O ATOM 22 ND2 ASN A 5 -1.868 25.187 -1.640 1.00 1.41 N ATOM 0 HA ASN A 5 0.470 21.784 -2.787 1.00 0.53 H new ATOM 0 HB2 ASN A 5 -1.733 22.761 -1.014 1.00 0.52 H new ATOM 0 HB3 ASN A 5 -0.004 23.018 -0.894 1.00 0.52 H new ATOM 0 HD21 ASN A 5 -2.019 26.122 -2.018 1.00 1.41 H new ATOM 0 HD22 ASN A 5 -2.384 24.881 -0.815 1.00 1.41 H new ATOM 29 N LYS A 6 -1.096 20.365 -0.779 1.00 0.45 N ATOM 30 CA LYS A 6 -1.591 19.141 -0.171 1.00 0.49 C ATOM 31 C LYS A 6 -3.107 19.189 -0.002 1.00 0.49 C ATOM 32 O LYS A 6 -3.648 20.077 0.657 1.00 0.56 O ATOM 33 CB LYS A 6 -0.917 18.915 1.180 1.00 0.64 C ATOM 34 CG LYS A 6 0.479 18.333 1.068 1.00 1.28 C ATOM 35 CD LYS A 6 1.454 19.335 0.471 1.00 1.76 C ATOM 36 CE LYS A 6 2.807 19.279 1.163 1.00 2.52 C ATOM 37 NZ LYS A 6 2.836 20.114 2.395 1.00 3.06 N ATOM 0 H LYS A 6 -0.715 21.042 -0.119 1.00 0.45 H new ATOM 0 HA LYS A 6 -1.349 18.309 -0.833 1.00 0.49 H new ATOM 0 HB2 LYS A 6 -0.865 19.863 1.715 1.00 0.64 H new ATOM 0 HB3 LYS A 6 -1.535 18.245 1.778 1.00 0.64 H new ATOM 0 HG2 LYS A 6 0.828 18.028 2.055 1.00 1.28 H new ATOM 0 HG3 LYS A 6 0.452 17.437 0.449 1.00 1.28 H new ATOM 0 HD2 LYS A 6 1.580 19.132 -0.593 1.00 1.76 H new ATOM 0 HD3 LYS A 6 1.042 20.340 0.557 1.00 1.76 H new ATOM 0 HE2 LYS A 6 3.041 18.246 1.419 1.00 2.52 H new ATOM 0 HE3 LYS A 6 3.581 19.620 0.475 1.00 2.52 H new ATOM 0 HZ1 LYS A 6 3.485 20.915 2.256 1.00 3.06 H new ATOM 0 HZ2 LYS A 6 1.880 20.473 2.594 1.00 3.06 H new ATOM 0 HZ3 LYS A 6 3.163 19.538 3.197 1.00 3.06 H new ATOM 51 N ARG A 7 -3.777 18.212 -0.598 1.00 0.50 N ATOM 52 CA ARG A 7 -5.227 18.105 -0.529 1.00 0.52 C ATOM 53 C ARG A 7 -5.648 16.636 -0.493 1.00 0.47 C ATOM 54 O ARG A 7 -5.325 15.853 -1.398 1.00 0.43 O ATOM 55 CB ARG A 7 -5.874 18.815 -1.721 1.00 0.57 C ATOM 56 CG ARG A 7 -5.838 20.331 -1.613 1.00 0.77 C ATOM 57 CD ARG A 7 -4.496 20.886 -2.055 1.00 0.64 C ATOM 58 NE ARG A 7 -4.645 22.023 -2.959 1.00 0.98 N ATOM 59 CZ ARG A 7 -5.127 21.923 -4.193 1.00 1.66 C ATOM 60 NH1 ARG A 7 -5.496 20.744 -4.671 1.00 2.46 N ATOM 61 NH2 ARG A 7 -5.240 23.006 -4.952 1.00 2.11 N ATOM 0 H ARG A 7 -3.331 17.473 -1.142 1.00 0.50 H new ATOM 0 HA ARG A 7 -5.567 18.589 0.387 1.00 0.52 H new ATOM 0 HB2 ARG A 7 -5.365 18.511 -2.636 1.00 0.57 H new ATOM 0 HB3 ARG A 7 -6.910 18.489 -1.810 1.00 0.57 H new ATOM 0 HG2 ARG A 7 -6.631 20.760 -2.226 1.00 0.77 H new ATOM 0 HG3 ARG A 7 -6.035 20.629 -0.583 1.00 0.77 H new ATOM 0 HD2 ARG A 7 -3.924 21.192 -1.179 1.00 0.64 H new ATOM 0 HD3 ARG A 7 -3.925 20.101 -2.551 1.00 0.64 H new ATOM 0 HE ARG A 7 -4.364 22.945 -2.625 1.00 0.98 H new ATOM 0 HH11 ARG A 7 -5.411 19.909 -4.091 1.00 2.46 H new ATOM 0 HH12 ARG A 7 -5.866 20.671 -5.619 1.00 2.46 H new ATOM 0 HH21 ARG A 7 -4.957 23.916 -4.588 1.00 2.11 H new ATOM 0 HH22 ARG A 7 -5.610 22.929 -5.899 1.00 2.11 H new ATOM 75 N ALA A 8 -6.361 16.282 0.577 1.00 0.50 N ATOM 76 CA ALA A 8 -6.842 14.920 0.813 1.00 0.47 C ATOM 77 C ALA A 8 -7.163 14.154 -0.471 1.00 0.44 C ATOM 78 O ALA A 8 -8.093 14.510 -1.196 1.00 0.56 O ATOM 79 CB ALA A 8 -8.069 14.961 1.710 1.00 0.54 C ATOM 0 H ALA A 8 -6.623 16.939 1.312 1.00 0.50 H new ATOM 0 HA ALA A 8 -6.029 14.380 1.299 1.00 0.47 H new ATOM 0 HB1 ALA A 8 -8.426 13.946 1.885 1.00 0.54 H new ATOM 0 HB2 ALA A 8 -7.808 15.423 2.662 1.00 0.54 H new ATOM 0 HB3 ALA A 8 -8.854 15.543 1.227 1.00 0.54 H new ATOM 85 N PRO A 9 -6.414 13.069 -0.758 1.00 0.36 N ATOM 86 CA PRO A 9 -6.649 12.242 -1.943 1.00 0.37 C ATOM 87 C PRO A 9 -7.965 11.480 -1.842 1.00 0.37 C ATOM 88 O PRO A 9 -8.222 10.800 -0.848 1.00 0.40 O ATOM 89 CB PRO A 9 -5.467 11.260 -1.962 1.00 0.39 C ATOM 90 CG PRO A 9 -4.495 11.773 -0.953 1.00 0.51 C ATOM 91 CD PRO A 9 -5.300 12.551 0.048 1.00 0.41 C ATOM 0 HA PRO A 9 -6.718 12.844 -2.849 1.00 0.37 H new ATOM 0 HB2 PRO A 9 -5.793 10.250 -1.712 1.00 0.39 H new ATOM 0 HB3 PRO A 9 -5.014 11.213 -2.952 1.00 0.39 H new ATOM 0 HG2 PRO A 9 -3.964 10.952 -0.472 1.00 0.51 H new ATOM 0 HG3 PRO A 9 -3.743 12.406 -1.424 1.00 0.51 H new ATOM 0 HD2 PRO A 9 -5.651 11.918 0.863 1.00 0.41 H new ATOM 0 HD3 PRO A 9 -4.718 13.356 0.497 1.00 0.41 H new ATOM 99 N TYR A 10 -8.798 11.598 -2.869 1.00 0.38 N ATOM 100 CA TYR A 10 -10.089 10.919 -2.882 1.00 0.41 C ATOM 101 C TYR A 10 -9.942 9.475 -3.352 1.00 0.38 C ATOM 102 O TYR A 10 -9.231 9.194 -4.317 1.00 0.44 O ATOM 103 CB TYR A 10 -11.075 11.668 -3.780 1.00 0.49 C ATOM 104 CG TYR A 10 -11.836 12.758 -3.058 1.00 1.15 C ATOM 105 CD1 TYR A 10 -11.249 13.478 -2.025 1.00 1.90 C ATOM 106 CD2 TYR A 10 -13.145 13.066 -3.411 1.00 2.02 C ATOM 107 CE1 TYR A 10 -11.942 14.474 -1.366 1.00 2.78 C ATOM 108 CE2 TYR A 10 -13.845 14.060 -2.756 1.00 2.96 C ATOM 109 CZ TYR A 10 -13.232 14.763 -1.730 1.00 3.18 C ATOM 110 OH TYR A 10 -13.932 15.754 -1.081 1.00 4.20 O ATOM 0 H TYR A 10 -8.604 12.155 -3.701 1.00 0.38 H new ATOM 0 HA TYR A 10 -10.476 10.909 -1.863 1.00 0.41 H new ATOM 0 HB2 TYR A 10 -10.532 12.107 -4.617 1.00 0.49 H new ATOM 0 HB3 TYR A 10 -11.786 10.956 -4.200 1.00 0.49 H new ATOM 0 HD1 TYR A 10 -10.234 13.255 -1.732 1.00 1.90 H new ATOM 0 HD2 TYR A 10 -13.622 12.519 -4.211 1.00 2.02 H new ATOM 0 HE1 TYR A 10 -11.469 15.024 -0.566 1.00 2.78 H new ATOM 0 HE2 TYR A 10 -14.862 14.288 -3.041 1.00 2.96 H new ATOM 0 HH TYR A 10 -14.830 15.827 -1.467 1.00 4.20 H new ATOM 120 N TRP A 11 -10.618 8.566 -2.660 1.00 0.47 N ATOM 121 CA TRP A 11 -10.568 7.149 -3.002 1.00 0.49 C ATOM 122 C TRP A 11 -11.078 6.913 -4.419 1.00 0.42 C ATOM 123 O TRP A 11 -12.172 7.347 -4.774 1.00 0.45 O ATOM 124 CB TRP A 11 -11.397 6.334 -2.006 1.00 0.60 C ATOM 125 CG TRP A 11 -12.784 6.865 -1.812 1.00 0.83 C ATOM 126 CD1 TRP A 11 -13.860 6.660 -2.627 1.00 1.71 C ATOM 127 CD2 TRP A 11 -13.246 7.688 -0.735 1.00 1.65 C ATOM 128 NE1 TRP A 11 -14.964 7.305 -2.123 1.00 2.26 N ATOM 129 CE2 TRP A 11 -14.613 7.944 -0.962 1.00 2.17 C ATOM 130 CE3 TRP A 11 -12.638 8.232 0.399 1.00 2.60 C ATOM 131 CZ2 TRP A 11 -15.378 8.721 -0.097 1.00 3.03 C ATOM 132 CZ3 TRP A 11 -13.401 9.004 1.257 1.00 3.54 C ATOM 133 CH2 TRP A 11 -14.756 9.242 1.006 1.00 3.60 C ATOM 0 H TRP A 11 -11.208 8.785 -1.857 1.00 0.47 H new ATOM 0 HA TRP A 11 -9.529 6.824 -2.951 1.00 0.49 H new ATOM 0 HB2 TRP A 11 -11.456 5.302 -2.352 1.00 0.60 H new ATOM 0 HB3 TRP A 11 -10.884 6.319 -1.044 1.00 0.60 H new ATOM 0 HD1 TRP A 11 -13.846 6.076 -3.535 1.00 1.71 H new ATOM 0 HE1 TRP A 11 -15.893 7.308 -2.544 1.00 2.26 H new ATOM 0 HE3 TRP A 11 -11.592 8.053 0.602 1.00 2.60 H new ATOM 0 HZ2 TRP A 11 -16.425 8.906 -0.289 1.00 3.03 H new ATOM 0 HZ3 TRP A 11 -12.942 9.431 2.137 1.00 3.54 H new ATOM 0 HH2 TRP A 11 -15.323 9.849 1.696 1.00 3.60 H new ATOM 144 N THR A 12 -10.277 6.221 -5.225 1.00 0.45 N ATOM 145 CA THR A 12 -10.655 5.931 -6.602 1.00 0.50 C ATOM 146 C THR A 12 -11.252 4.533 -6.725 1.00 0.55 C ATOM 147 O THR A 12 -12.454 4.378 -6.931 1.00 0.64 O ATOM 148 CB THR A 12 -9.450 6.055 -7.557 1.00 0.61 C ATOM 149 OG1 THR A 12 -8.755 7.284 -7.313 1.00 1.28 O ATOM 150 CG2 THR A 12 -9.902 6.003 -9.009 1.00 1.23 C ATOM 0 H THR A 12 -9.367 5.853 -4.949 1.00 0.45 H new ATOM 0 HA THR A 12 -11.406 6.668 -6.886 1.00 0.50 H new ATOM 0 HB THR A 12 -8.780 5.216 -7.371 1.00 0.61 H new ATOM 0 HG1 THR A 12 -7.991 7.354 -7.922 1.00 1.28 H new ATOM 0 HG21 THR A 12 -9.035 6.092 -9.663 1.00 1.23 H new ATOM 0 HG22 THR A 12 -10.405 5.055 -9.200 1.00 1.23 H new ATOM 0 HG23 THR A 12 -10.591 6.825 -9.205 1.00 1.23 H new ATOM 158 N ASN A 13 -10.405 3.517 -6.589 1.00 0.56 N ATOM 159 CA ASN A 13 -10.854 2.133 -6.677 1.00 0.66 C ATOM 160 C ASN A 13 -10.988 1.514 -5.289 1.00 0.63 C ATOM 161 O ASN A 13 -10.131 1.712 -4.428 1.00 0.58 O ATOM 162 CB ASN A 13 -9.878 1.310 -7.519 1.00 0.73 C ATOM 163 CG ASN A 13 -9.749 1.833 -8.936 1.00 1.35 C ATOM 164 OD1 ASN A 13 -10.440 1.374 -9.845 1.00 2.05 O ATOM 165 ND2 ASN A 13 -8.860 2.800 -9.129 1.00 1.96 N ATOM 0 H ASN A 13 -9.405 3.627 -6.418 1.00 0.56 H new ATOM 0 HA ASN A 13 -11.833 2.127 -7.156 1.00 0.66 H new ATOM 0 HB2 ASN A 13 -8.898 1.316 -7.042 1.00 0.73 H new ATOM 0 HB3 ASN A 13 -10.213 0.273 -7.547 1.00 0.73 H new ATOM 0 HD21 ASN A 13 -8.728 3.193 -10.061 1.00 1.96 H new ATOM 0 HD22 ASN A 13 -8.309 3.150 -8.345 1.00 1.96 H new ATOM 172 N THR A 14 -12.061 0.758 -5.080 1.00 0.74 N ATOM 173 CA THR A 14 -12.291 0.105 -3.798 1.00 0.78 C ATOM 174 C THR A 14 -11.229 -0.960 -3.544 1.00 0.76 C ATOM 175 O THR A 14 -11.012 -1.843 -4.377 1.00 0.78 O ATOM 176 CB THR A 14 -13.686 -0.547 -3.740 1.00 0.92 C ATOM 177 OG1 THR A 14 -14.461 -0.146 -4.876 1.00 1.06 O ATOM 178 CG2 THR A 14 -14.412 -0.156 -2.462 1.00 1.15 C ATOM 0 H THR A 14 -12.782 0.583 -5.780 1.00 0.74 H new ATOM 0 HA THR A 14 -12.233 0.873 -3.027 1.00 0.78 H new ATOM 0 HB THR A 14 -13.559 -1.629 -3.751 1.00 0.92 H new ATOM 0 HG1 THR A 14 -15.346 -0.566 -4.833 1.00 1.06 H new ATOM 0 HG21 THR A 14 -15.394 -0.628 -2.443 1.00 1.15 H new ATOM 0 HG22 THR A 14 -13.834 -0.487 -1.599 1.00 1.15 H new ATOM 0 HG23 THR A 14 -14.529 0.927 -2.427 1.00 1.15 H new ATOM 186 N GLU A 15 -10.610 -0.915 -2.371 1.00 0.76 N ATOM 187 CA GLU A 15 -9.609 -1.905 -2.004 1.00 0.77 C ATOM 188 C GLU A 15 -10.286 -3.193 -1.545 1.00 0.82 C ATOM 189 O GLU A 15 -9.683 -4.267 -1.556 1.00 0.82 O ATOM 190 CB GLU A 15 -8.711 -1.353 -0.891 1.00 0.79 C ATOM 191 CG GLU A 15 -8.270 0.082 -1.124 1.00 1.35 C ATOM 192 CD GLU A 15 -7.381 0.226 -2.341 1.00 1.75 C ATOM 193 OE1 GLU A 15 -7.919 0.367 -3.459 1.00 2.06 O ATOM 194 OE2 GLU A 15 -6.143 0.196 -2.177 1.00 2.50 O ATOM 0 H GLU A 15 -10.784 -0.205 -1.660 1.00 0.76 H new ATOM 0 HA GLU A 15 -8.994 -2.126 -2.876 1.00 0.77 H new ATOM 0 HB2 GLU A 15 -9.244 -1.411 0.058 1.00 0.79 H new ATOM 0 HB3 GLU A 15 -7.828 -1.986 -0.800 1.00 0.79 H new ATOM 0 HG2 GLU A 15 -9.150 0.714 -1.244 1.00 1.35 H new ATOM 0 HG3 GLU A 15 -7.737 0.442 -0.244 1.00 1.35 H new ATOM 201 N LYS A 16 -11.560 -3.074 -1.182 1.00 0.88 N ATOM 202 CA LYS A 16 -12.338 -4.219 -0.755 1.00 0.95 C ATOM 203 C LYS A 16 -12.680 -5.103 -1.949 1.00 0.98 C ATOM 204 O LYS A 16 -13.050 -6.265 -1.781 1.00 1.01 O ATOM 205 CB LYS A 16 -13.620 -3.762 -0.054 1.00 1.04 C ATOM 206 CG LYS A 16 -14.506 -4.911 0.401 1.00 1.44 C ATOM 207 CD LYS A 16 -15.832 -4.916 -0.342 1.00 1.61 C ATOM 208 CE LYS A 16 -16.498 -6.282 -0.284 1.00 2.37 C ATOM 209 NZ LYS A 16 -16.246 -7.076 -1.519 1.00 2.83 N ATOM 0 H LYS A 16 -12.071 -2.191 -1.177 1.00 0.88 H new ATOM 0 HA LYS A 16 -11.741 -4.798 -0.050 1.00 0.95 H new ATOM 0 HB2 LYS A 16 -13.355 -3.154 0.811 1.00 1.04 H new ATOM 0 HB3 LYS A 16 -14.187 -3.123 -0.731 1.00 1.04 H new ATOM 0 HG2 LYS A 16 -13.991 -5.857 0.236 1.00 1.44 H new ATOM 0 HG3 LYS A 16 -14.688 -4.830 1.473 1.00 1.44 H new ATOM 0 HD2 LYS A 16 -16.496 -4.168 0.091 1.00 1.61 H new ATOM 0 HD3 LYS A 16 -15.669 -4.634 -1.382 1.00 1.61 H new ATOM 0 HE2 LYS A 16 -16.127 -6.830 0.582 1.00 2.37 H new ATOM 0 HE3 LYS A 16 -17.572 -6.157 -0.146 1.00 2.37 H new ATOM 0 HZ1 LYS A 16 -16.425 -8.082 -1.327 1.00 2.83 H new ATOM 0 HZ2 LYS A 16 -16.880 -6.750 -2.277 1.00 2.83 H new ATOM 0 HZ3 LYS A 16 -15.257 -6.951 -1.817 1.00 2.83 H new ATOM 223 N MET A 17 -12.565 -4.550 -3.160 1.00 0.98 N ATOM 224 CA MET A 17 -12.876 -5.312 -4.362 1.00 1.04 C ATOM 225 C MET A 17 -11.623 -5.611 -5.180 1.00 1.03 C ATOM 226 O MET A 17 -11.721 -6.071 -6.317 1.00 1.17 O ATOM 227 CB MET A 17 -13.888 -4.554 -5.221 1.00 1.21 C ATOM 228 CG MET A 17 -15.135 -4.133 -4.459 1.00 1.44 C ATOM 229 SD MET A 17 -16.658 -4.666 -5.266 1.00 1.83 S ATOM 230 CE MET A 17 -16.308 -4.235 -6.968 1.00 2.16 C ATOM 0 H MET A 17 -12.263 -3.590 -3.328 1.00 0.98 H new ATOM 0 HA MET A 17 -13.306 -6.263 -4.047 1.00 1.04 H new ATOM 0 HB2 MET A 17 -13.409 -3.667 -5.636 1.00 1.21 H new ATOM 0 HB3 MET A 17 -14.181 -5.182 -6.063 1.00 1.21 H new ATOM 0 HG2 MET A 17 -15.098 -4.548 -3.452 1.00 1.44 H new ATOM 0 HG3 MET A 17 -15.144 -3.048 -4.356 1.00 1.44 H new ATOM 0 HE1 MET A 17 -17.243 -4.042 -7.494 1.00 2.16 H new ATOM 0 HE2 MET A 17 -15.685 -3.341 -6.996 1.00 2.16 H new ATOM 0 HE3 MET A 17 -15.783 -5.059 -7.451 1.00 2.16 H new ATOM 240 N GLU A 18 -10.444 -5.358 -4.608 1.00 0.95 N ATOM 241 CA GLU A 18 -9.200 -5.621 -5.323 1.00 1.06 C ATOM 242 C GLU A 18 -7.979 -5.300 -4.469 1.00 0.96 C ATOM 243 O GLU A 18 -7.065 -4.610 -4.917 1.00 1.57 O ATOM 244 CB GLU A 18 -9.147 -4.805 -6.616 1.00 1.43 C ATOM 245 CG GLU A 18 -8.183 -5.365 -7.648 1.00 1.29 C ATOM 246 CD GLU A 18 -8.814 -6.439 -8.514 1.00 2.13 C ATOM 247 OE1 GLU A 18 -9.554 -6.083 -9.455 1.00 2.56 O ATOM 248 OE2 GLU A 18 -8.568 -7.633 -8.250 1.00 2.88 O ATOM 0 H GLU A 18 -10.327 -4.978 -3.669 1.00 0.95 H new ATOM 0 HA GLU A 18 -9.180 -6.685 -5.559 1.00 1.06 H new ATOM 0 HB2 GLU A 18 -10.146 -4.762 -7.050 1.00 1.43 H new ATOM 0 HB3 GLU A 18 -8.858 -3.781 -6.378 1.00 1.43 H new ATOM 0 HG2 GLU A 18 -7.826 -4.555 -8.283 1.00 1.29 H new ATOM 0 HG3 GLU A 18 -7.312 -5.779 -7.139 1.00 1.29 H new ATOM 255 N LYS A 19 -7.960 -5.807 -3.241 1.00 0.84 N ATOM 256 CA LYS A 19 -6.835 -5.565 -2.348 1.00 1.08 C ATOM 257 C LYS A 19 -7.006 -6.278 -1.015 1.00 0.87 C ATOM 258 O LYS A 19 -6.060 -6.876 -0.501 1.00 0.87 O ATOM 259 CB LYS A 19 -6.657 -4.069 -2.106 1.00 1.66 C ATOM 260 CG LYS A 19 -5.394 -3.728 -1.336 1.00 2.57 C ATOM 261 CD LYS A 19 -4.163 -3.808 -2.224 1.00 2.87 C ATOM 262 CE LYS A 19 -3.013 -4.507 -1.518 1.00 3.55 C ATOM 263 NZ LYS A 19 -3.363 -5.903 -1.132 1.00 4.14 N ATOM 0 H LYS A 19 -8.703 -6.382 -2.845 1.00 0.84 H new ATOM 0 HA LYS A 19 -5.946 -5.965 -2.836 1.00 1.08 H new ATOM 0 HB2 LYS A 19 -6.639 -3.553 -3.066 1.00 1.66 H new ATOM 0 HB3 LYS A 19 -7.521 -3.692 -1.558 1.00 1.66 H new ATOM 0 HG2 LYS A 19 -5.480 -2.724 -0.920 1.00 2.57 H new ATOM 0 HG3 LYS A 19 -5.283 -4.413 -0.495 1.00 2.57 H new ATOM 0 HD2 LYS A 19 -4.408 -4.344 -3.141 1.00 2.87 H new ATOM 0 HD3 LYS A 19 -3.856 -2.803 -2.515 1.00 2.87 H new ATOM 0 HE2 LYS A 19 -2.140 -4.519 -2.171 1.00 3.55 H new ATOM 0 HE3 LYS A 19 -2.737 -3.943 -0.627 1.00 3.55 H new ATOM 0 HZ1 LYS A 19 -3.020 -6.093 -0.169 1.00 4.14 H new ATOM 0 HZ2 LYS A 19 -4.396 -6.023 -1.162 1.00 4.14 H new ATOM 0 HZ3 LYS A 19 -2.918 -6.569 -1.796 1.00 4.14 H new ATOM 277 N ARG A 20 -8.206 -6.213 -0.446 1.00 0.98 N ATOM 278 CA ARG A 20 -8.454 -6.852 0.837 1.00 0.92 C ATOM 279 C ARG A 20 -8.385 -8.364 0.699 1.00 0.94 C ATOM 280 O ARG A 20 -7.304 -8.928 0.781 1.00 1.30 O ATOM 281 CB ARG A 20 -9.808 -6.426 1.414 1.00 0.95 C ATOM 282 CG ARG A 20 -10.269 -7.204 2.639 1.00 1.64 C ATOM 283 CD ARG A 20 -10.036 -6.423 3.923 1.00 2.15 C ATOM 284 NE ARG A 20 -11.185 -6.497 4.822 1.00 2.67 N ATOM 285 CZ ARG A 20 -12.354 -5.917 4.573 1.00 3.29 C ATOM 286 NH1 ARG A 20 -12.527 -5.219 3.459 1.00 3.51 N ATOM 287 NH2 ARG A 20 -13.353 -6.034 5.437 1.00 4.11 N ATOM 0 H ARG A 20 -9.010 -5.731 -0.848 1.00 0.98 H new ATOM 0 HA ARG A 20 -7.677 -6.529 1.530 1.00 0.92 H new ATOM 0 HB2 ARG A 20 -9.757 -5.369 1.674 1.00 0.95 H new ATOM 0 HB3 ARG A 20 -10.564 -6.526 0.635 1.00 0.95 H new ATOM 0 HG2 ARG A 20 -11.329 -7.438 2.543 1.00 1.64 H new ATOM 0 HG3 ARG A 20 -9.736 -8.153 2.689 1.00 1.64 H new ATOM 0 HD2 ARG A 20 -9.153 -6.813 4.430 1.00 2.15 H new ATOM 0 HD3 ARG A 20 -9.831 -5.380 3.681 1.00 2.15 H new ATOM 0 HE ARG A 20 -11.084 -7.024 5.690 1.00 2.67 H new ATOM 0 HH11 ARG A 20 -11.762 -5.127 2.791 1.00 3.51 H new ATOM 0 HH12 ARG A 20 -13.425 -4.775 3.270 1.00 3.51 H new ATOM 0 HH21 ARG A 20 -13.225 -6.570 6.295 1.00 4.11 H new ATOM 0 HH22 ARG A 20 -14.250 -5.588 5.243 1.00 4.11 H new ATOM 348 N VAL A 24 -2.470 -14.562 -2.174 1.00 0.78 N ATOM 349 CA VAL A 24 -1.056 -14.246 -2.350 1.00 0.74 C ATOM 350 C VAL A 24 -0.180 -15.494 -2.237 1.00 0.68 C ATOM 351 O VAL A 24 -0.231 -16.205 -1.233 1.00 0.77 O ATOM 352 CB VAL A 24 -0.586 -13.215 -1.307 1.00 0.81 C ATOM 353 CG1 VAL A 24 0.824 -12.741 -1.618 1.00 1.32 C ATOM 354 CG2 VAL A 24 -1.551 -12.040 -1.245 1.00 1.30 C ATOM 0 HA VAL A 24 -0.952 -13.829 -3.352 1.00 0.74 H new ATOM 0 HB VAL A 24 -0.573 -13.697 -0.329 1.00 0.81 H new ATOM 0 HG11 VAL A 24 1.137 -12.013 -0.869 1.00 1.32 H new ATOM 0 HG12 VAL A 24 1.505 -13.592 -1.604 1.00 1.32 H new ATOM 0 HG13 VAL A 24 0.843 -12.278 -2.604 1.00 1.32 H new ATOM 0 HG21 VAL A 24 -1.203 -11.322 -0.503 1.00 1.30 H new ATOM 0 HG22 VAL A 24 -1.600 -11.558 -2.221 1.00 1.30 H new ATOM 0 HG23 VAL A 24 -2.542 -12.398 -0.967 1.00 1.30 H new ATOM 364 N PRO A 25 0.645 -15.778 -3.263 1.00 0.61 N ATOM 365 CA PRO A 25 1.534 -16.941 -3.264 1.00 0.63 C ATOM 366 C PRO A 25 2.815 -16.690 -2.475 1.00 0.57 C ATOM 367 O PRO A 25 3.355 -15.584 -2.485 1.00 0.52 O ATOM 368 CB PRO A 25 1.851 -17.123 -4.746 1.00 0.72 C ATOM 369 CG PRO A 25 1.807 -15.745 -5.308 1.00 0.71 C ATOM 370 CD PRO A 25 0.780 -14.987 -4.503 1.00 0.65 C ATOM 0 HA PRO A 25 1.077 -17.812 -2.794 1.00 0.63 H new ATOM 0 HB2 PRO A 25 2.831 -17.579 -4.889 1.00 0.72 H new ATOM 0 HB3 PRO A 25 1.123 -17.773 -5.231 1.00 0.72 H new ATOM 0 HG2 PRO A 25 2.784 -15.267 -5.239 1.00 0.71 H new ATOM 0 HG3 PRO A 25 1.535 -15.765 -6.363 1.00 0.71 H new ATOM 0 HD2 PRO A 25 1.109 -13.969 -4.294 1.00 0.65 H new ATOM 0 HD3 PRO A 25 -0.169 -14.913 -5.035 1.00 0.65 H new ATOM 378 N ALA A 26 3.295 -17.721 -1.789 1.00 0.61 N ATOM 379 CA ALA A 26 4.512 -17.609 -0.995 1.00 0.60 C ATOM 380 C ALA A 26 5.751 -17.579 -1.886 1.00 0.54 C ATOM 381 O ALA A 26 5.776 -18.195 -2.951 1.00 0.58 O ATOM 382 CB ALA A 26 4.601 -18.760 -0.002 1.00 0.71 C ATOM 0 H ALA A 26 2.860 -18.643 -1.767 1.00 0.61 H new ATOM 0 HA ALA A 26 4.471 -16.669 -0.444 1.00 0.60 H new ATOM 0 HB1 ALA A 26 5.515 -18.664 0.585 1.00 0.71 H new ATOM 0 HB2 ALA A 26 3.738 -18.734 0.663 1.00 0.71 H new ATOM 0 HB3 ALA A 26 4.614 -19.707 -0.542 1.00 0.71 H new ATOM 388 N ALA A 27 6.778 -16.860 -1.439 1.00 0.50 N ATOM 389 CA ALA A 27 8.025 -16.749 -2.189 1.00 0.48 C ATOM 390 C ALA A 27 7.871 -15.855 -3.422 1.00 0.43 C ATOM 391 O ALA A 27 8.769 -15.794 -4.263 1.00 0.46 O ATOM 392 CB ALA A 27 8.523 -18.128 -2.597 1.00 0.55 C ATOM 0 H ALA A 27 6.770 -16.345 -0.559 1.00 0.50 H new ATOM 0 HA ALA A 27 8.760 -16.283 -1.533 1.00 0.48 H new ATOM 0 HB1 ALA A 27 9.454 -18.028 -3.156 1.00 0.55 H new ATOM 0 HB2 ALA A 27 8.698 -18.730 -1.705 1.00 0.55 H new ATOM 0 HB3 ALA A 27 7.775 -18.615 -3.223 1.00 0.55 H new ATOM 398 N ASN A 28 6.739 -15.165 -3.529 1.00 0.39 N ATOM 399 CA ASN A 28 6.489 -14.280 -4.664 1.00 0.36 C ATOM 400 C ASN A 28 6.444 -12.820 -4.220 1.00 0.30 C ATOM 401 O ASN A 28 6.367 -12.528 -3.026 1.00 0.29 O ATOM 402 CB ASN A 28 5.175 -14.655 -5.351 1.00 0.40 C ATOM 403 CG ASN A 28 5.202 -14.378 -6.842 1.00 0.77 C ATOM 404 OD1 ASN A 28 5.610 -15.225 -7.636 1.00 1.42 O ATOM 405 ND2 ASN A 28 4.766 -13.185 -7.231 1.00 1.36 N ATOM 0 H ASN A 28 5.982 -15.201 -2.846 1.00 0.39 H new ATOM 0 HA ASN A 28 7.309 -14.400 -5.371 1.00 0.36 H new ATOM 0 HB2 ASN A 28 4.970 -15.713 -5.184 1.00 0.40 H new ATOM 0 HB3 ASN A 28 4.358 -14.096 -4.895 1.00 0.40 H new ATOM 0 HD21 ASN A 28 4.761 -12.942 -8.222 1.00 1.36 H new ATOM 0 HD22 ASN A 28 4.436 -12.512 -6.539 1.00 1.36 H new ATOM 412 N THR A 29 6.482 -11.908 -5.187 1.00 0.30 N ATOM 413 CA THR A 29 6.436 -10.479 -4.892 1.00 0.28 C ATOM 414 C THR A 29 5.002 -10.038 -4.633 1.00 0.30 C ATOM 415 O THR A 29 4.069 -10.533 -5.265 1.00 0.33 O ATOM 416 CB THR A 29 7.025 -9.646 -6.045 1.00 0.32 C ATOM 417 OG1 THR A 29 6.295 -9.893 -7.252 1.00 0.96 O ATOM 418 CG2 THR A 29 8.493 -9.979 -6.257 1.00 0.92 C ATOM 0 H THR A 29 6.544 -12.132 -6.180 1.00 0.30 H new ATOM 0 HA THR A 29 7.039 -10.310 -4.000 1.00 0.28 H new ATOM 0 HB THR A 29 6.942 -8.592 -5.781 1.00 0.32 H new ATOM 0 HG1 THR A 29 6.675 -9.358 -7.980 1.00 0.96 H new ATOM 0 HG21 THR A 29 8.888 -9.378 -7.077 1.00 0.92 H new ATOM 0 HG22 THR A 29 9.051 -9.761 -5.346 1.00 0.92 H new ATOM 0 HG23 THR A 29 8.595 -11.037 -6.501 1.00 0.92 H new ATOM 426 N VAL A 30 4.823 -9.133 -3.676 1.00 0.33 N ATOM 427 CA VAL A 30 3.488 -8.667 -3.319 1.00 0.39 C ATOM 428 C VAL A 30 3.106 -7.352 -3.994 1.00 0.35 C ATOM 429 O VAL A 30 3.770 -6.329 -3.828 1.00 0.35 O ATOM 430 CB VAL A 30 3.344 -8.500 -1.796 1.00 0.47 C ATOM 431 CG1 VAL A 30 1.875 -8.393 -1.412 1.00 0.56 C ATOM 432 CG2 VAL A 30 4.011 -9.654 -1.066 1.00 0.57 C ATOM 0 H VAL A 30 5.579 -8.711 -3.137 1.00 0.33 H new ATOM 0 HA VAL A 30 2.809 -9.440 -3.679 1.00 0.39 H new ATOM 0 HB VAL A 30 3.844 -7.578 -1.499 1.00 0.47 H new ATOM 0 HG11 VAL A 30 1.789 -8.275 -0.332 1.00 0.56 H new ATOM 0 HG12 VAL A 30 1.431 -7.529 -1.908 1.00 0.56 H new ATOM 0 HG13 VAL A 30 1.351 -9.298 -1.721 1.00 0.56 H new ATOM 0 HG21 VAL A 30 3.898 -9.518 0.010 1.00 0.57 H new ATOM 0 HG22 VAL A 30 3.543 -10.592 -1.364 1.00 0.57 H new ATOM 0 HG23 VAL A 30 5.071 -9.681 -1.319 1.00 0.57 H new ATOM 442 N LYS A 31 2.004 -7.402 -4.730 1.00 0.34 N ATOM 443 CA LYS A 31 1.477 -6.229 -5.419 1.00 0.33 C ATOM 444 C LYS A 31 0.637 -5.398 -4.454 1.00 0.33 C ATOM 445 O LYS A 31 -0.329 -5.896 -3.876 1.00 0.38 O ATOM 446 CB LYS A 31 0.633 -6.643 -6.631 1.00 0.38 C ATOM 447 CG LYS A 31 -0.122 -5.488 -7.280 1.00 0.60 C ATOM 448 CD LYS A 31 -1.564 -5.858 -7.602 1.00 0.82 C ATOM 449 CE LYS A 31 -2.298 -6.397 -6.384 1.00 1.34 C ATOM 450 NZ LYS A 31 -2.840 -7.763 -6.620 1.00 1.98 N ATOM 0 H LYS A 31 1.453 -8.249 -4.867 1.00 0.34 H new ATOM 0 HA LYS A 31 2.315 -5.630 -5.775 1.00 0.33 H new ATOM 0 HB2 LYS A 31 1.284 -7.103 -7.375 1.00 0.38 H new ATOM 0 HB3 LYS A 31 -0.083 -7.404 -6.320 1.00 0.38 H new ATOM 0 HG2 LYS A 31 -0.109 -4.626 -6.613 1.00 0.60 H new ATOM 0 HG3 LYS A 31 0.389 -5.190 -8.196 1.00 0.60 H new ATOM 0 HD2 LYS A 31 -2.087 -4.981 -7.982 1.00 0.82 H new ATOM 0 HD3 LYS A 31 -1.578 -6.606 -8.395 1.00 0.82 H new ATOM 0 HE2 LYS A 31 -1.619 -6.418 -5.532 1.00 1.34 H new ATOM 0 HE3 LYS A 31 -3.114 -5.723 -6.125 1.00 1.34 H new ATOM 0 HZ1 LYS A 31 -3.333 -8.093 -5.766 1.00 1.98 H new ATOM 0 HZ2 LYS A 31 -3.508 -7.739 -7.417 1.00 1.98 H new ATOM 0 HZ3 LYS A 31 -2.059 -8.413 -6.842 1.00 1.98 H new ATOM 464 N PHE A 32 1.007 -4.133 -4.271 1.00 0.31 N ATOM 465 CA PHE A 32 0.270 -3.262 -3.366 1.00 0.35 C ATOM 466 C PHE A 32 -0.448 -2.154 -4.131 1.00 0.32 C ATOM 467 O PHE A 32 0.178 -1.343 -4.812 1.00 0.32 O ATOM 468 CB PHE A 32 1.220 -2.655 -2.333 1.00 0.44 C ATOM 469 CG PHE A 32 0.534 -2.174 -1.087 1.00 0.90 C ATOM 470 CD1 PHE A 32 -0.466 -1.217 -1.158 1.00 1.64 C ATOM 471 CD2 PHE A 32 0.884 -2.680 0.155 1.00 1.21 C ATOM 472 CE1 PHE A 32 -1.103 -0.773 -0.015 1.00 2.28 C ATOM 473 CE2 PHE A 32 0.251 -2.238 1.302 1.00 1.91 C ATOM 474 CZ PHE A 32 -0.731 -1.282 1.222 1.00 2.35 C ATOM 0 H PHE A 32 1.804 -3.694 -4.732 1.00 0.31 H new ATOM 0 HA PHE A 32 -0.482 -3.863 -2.854 1.00 0.35 H new ATOM 0 HB2 PHE A 32 1.968 -3.399 -2.060 1.00 0.44 H new ATOM 0 HB3 PHE A 32 1.752 -1.820 -2.789 1.00 0.44 H new ATOM 0 HD1 PHE A 32 -0.751 -0.813 -2.118 1.00 1.64 H new ATOM 0 HD2 PHE A 32 1.660 -3.428 0.228 1.00 1.21 H new ATOM 0 HE1 PHE A 32 -1.887 -0.033 -0.084 1.00 2.28 H new ATOM 0 HE2 PHE A 32 0.530 -2.646 2.263 1.00 1.91 H new ATOM 0 HZ PHE A 32 -1.214 -0.926 2.120 1.00 2.35 H new ATOM 484 N ARG A 33 -1.769 -2.148 -4.023 1.00 0.36 N ATOM 485 CA ARG A 33 -2.591 -1.161 -4.714 1.00 0.39 C ATOM 486 C ARG A 33 -3.272 -0.207 -3.734 1.00 0.40 C ATOM 487 O ARG A 33 -3.882 -0.636 -2.754 1.00 0.43 O ATOM 488 CB ARG A 33 -3.637 -1.866 -5.577 1.00 0.47 C ATOM 489 CG ARG A 33 -3.071 -3.013 -6.398 1.00 0.80 C ATOM 490 CD ARG A 33 -2.008 -2.534 -7.377 1.00 0.53 C ATOM 491 NE ARG A 33 -2.559 -2.305 -8.710 1.00 1.09 N ATOM 492 CZ ARG A 33 -3.104 -1.154 -9.106 1.00 1.56 C ATOM 493 NH1 ARG A 33 -3.165 -0.117 -8.280 1.00 2.10 N ATOM 494 NH2 ARG A 33 -3.589 -1.042 -10.334 1.00 2.12 N ATOM 0 H ARG A 33 -2.297 -2.817 -3.462 1.00 0.36 H new ATOM 0 HA ARG A 33 -1.936 -0.567 -5.351 1.00 0.39 H new ATOM 0 HB2 ARG A 33 -4.431 -2.247 -4.934 1.00 0.47 H new ATOM 0 HB3 ARG A 33 -4.093 -1.139 -6.249 1.00 0.47 H new ATOM 0 HG2 ARG A 33 -2.641 -3.760 -5.731 1.00 0.80 H new ATOM 0 HG3 ARG A 33 -3.877 -3.501 -6.946 1.00 0.80 H new ATOM 0 HD2 ARG A 33 -1.561 -1.612 -7.005 1.00 0.53 H new ATOM 0 HD3 ARG A 33 -1.209 -3.274 -7.436 1.00 0.53 H new ATOM 0 HE ARG A 33 -2.525 -3.073 -9.380 1.00 1.09 H new ATOM 0 HH11 ARG A 33 -2.793 -0.196 -7.333 1.00 2.10 H new ATOM 0 HH12 ARG A 33 -3.584 0.759 -8.592 1.00 2.10 H new ATOM 0 HH21 ARG A 33 -3.545 -1.835 -10.974 1.00 2.12 H new ATOM 0 HH22 ARG A 33 -4.006 -0.163 -10.639 1.00 2.12 H new ATOM 508 N CYS A 34 -3.163 1.089 -4.014 1.00 0.39 N ATOM 509 CA CYS A 34 -3.765 2.117 -3.172 1.00 0.41 C ATOM 510 C CYS A 34 -4.056 3.373 -3.992 1.00 0.41 C ATOM 511 O CYS A 34 -3.444 4.420 -3.779 1.00 0.47 O ATOM 512 CB CYS A 34 -2.838 2.459 -2.001 1.00 0.44 C ATOM 513 SG CYS A 34 -3.711 2.849 -0.448 1.00 0.94 S ATOM 0 H CYS A 34 -2.660 1.453 -4.823 1.00 0.39 H new ATOM 0 HA CYS A 34 -4.704 1.731 -2.775 1.00 0.41 H new ATOM 0 HB2 CYS A 34 -2.166 1.619 -1.826 1.00 0.44 H new ATOM 0 HB3 CYS A 34 -2.217 3.311 -2.280 1.00 0.44 H new ATOM 518 N PRO A 35 -4.991 3.277 -4.955 1.00 0.41 N ATOM 519 CA PRO A 35 -5.355 4.403 -5.824 1.00 0.44 C ATOM 520 C PRO A 35 -6.213 5.447 -5.118 1.00 0.34 C ATOM 521 O PRO A 35 -7.249 5.125 -4.533 1.00 0.34 O ATOM 522 CB PRO A 35 -6.150 3.732 -6.943 1.00 0.57 C ATOM 523 CG PRO A 35 -6.755 2.533 -6.302 1.00 0.54 C ATOM 524 CD PRO A 35 -5.757 2.058 -5.282 1.00 0.44 C ATOM 0 HA PRO A 35 -4.476 4.952 -6.163 1.00 0.44 H new ATOM 0 HB2 PRO A 35 -6.915 4.398 -7.341 1.00 0.57 H new ATOM 0 HB3 PRO A 35 -5.505 3.454 -7.777 1.00 0.57 H new ATOM 0 HG2 PRO A 35 -7.706 2.781 -5.831 1.00 0.54 H new ATOM 0 HG3 PRO A 35 -6.958 1.757 -7.040 1.00 0.54 H new ATOM 0 HD2 PRO A 35 -6.249 1.645 -4.401 1.00 0.44 H new ATOM 0 HD3 PRO A 35 -5.114 1.276 -5.684 1.00 0.44 H new ATOM 532 N ALA A 36 -5.779 6.701 -5.185 1.00 0.35 N ATOM 533 CA ALA A 36 -6.505 7.799 -4.560 1.00 0.33 C ATOM 534 C ALA A 36 -6.334 9.091 -5.353 1.00 0.32 C ATOM 535 O ALA A 36 -5.305 9.760 -5.253 1.00 0.38 O ATOM 536 CB ALA A 36 -6.040 7.990 -3.125 1.00 0.40 C ATOM 0 H ALA A 36 -4.925 6.982 -5.667 1.00 0.35 H new ATOM 0 HA ALA A 36 -7.565 7.546 -4.554 1.00 0.33 H new ATOM 0 HB1 ALA A 36 -6.591 8.814 -2.671 1.00 0.40 H new ATOM 0 HB2 ALA A 36 -6.221 7.076 -2.559 1.00 0.40 H new ATOM 0 HB3 ALA A 36 -4.974 8.217 -3.115 1.00 0.40 H new ATOM 542 N GLY A 37 -7.347 9.436 -6.140 1.00 0.33 N ATOM 543 CA GLY A 37 -7.288 10.647 -6.940 1.00 0.36 C ATOM 544 C GLY A 37 -7.457 11.900 -6.105 1.00 0.35 C ATOM 545 O GLY A 37 -8.411 12.016 -5.334 1.00 0.37 O ATOM 0 H GLY A 37 -8.209 8.899 -6.239 1.00 0.33 H new ATOM 0 HA2 GLY A 37 -6.332 10.688 -7.462 1.00 0.36 H new ATOM 0 HA3 GLY A 37 -8.066 10.614 -7.702 1.00 0.36 H new ATOM 549 N GLY A 38 -6.532 12.841 -6.254 1.00 0.36 N ATOM 550 CA GLY A 38 -6.602 14.077 -5.496 1.00 0.39 C ATOM 551 C GLY A 38 -5.407 14.978 -5.736 1.00 0.37 C ATOM 552 O GLY A 38 -5.075 15.287 -6.879 1.00 0.42 O ATOM 0 H GLY A 38 -5.735 12.771 -6.886 1.00 0.36 H new ATOM 0 HA2 GLY A 38 -7.514 14.611 -5.763 1.00 0.39 H new ATOM 0 HA3 GLY A 38 -6.668 13.844 -4.433 1.00 0.39 H new ATOM 556 N ASN A 39 -4.766 15.415 -4.654 1.00 0.40 N ATOM 557 CA ASN A 39 -3.612 16.301 -4.759 1.00 0.47 C ATOM 558 C ASN A 39 -2.396 15.597 -5.361 1.00 0.36 C ATOM 559 O ASN A 39 -2.360 14.371 -5.468 1.00 0.34 O ATOM 560 CB ASN A 39 -3.251 16.846 -3.372 1.00 0.70 C ATOM 561 CG ASN A 39 -2.391 15.893 -2.542 1.00 2.04 C ATOM 562 OD1 ASN A 39 -1.594 16.328 -1.712 1.00 2.41 O ATOM 563 ND2 ASN A 39 -2.551 14.592 -2.762 1.00 2.89 N ATOM 0 H ASN A 39 -5.026 15.170 -3.698 1.00 0.40 H new ATOM 0 HA ASN A 39 -3.887 17.117 -5.427 1.00 0.47 H new ATOM 0 HB2 ASN A 39 -2.721 17.791 -3.489 1.00 0.70 H new ATOM 0 HB3 ASN A 39 -4.169 17.062 -2.826 1.00 0.70 H new ATOM 0 HD21 ASN A 39 -2.002 13.914 -2.233 1.00 2.89 H new ATOM 0 HD22 ASN A 39 -3.223 14.272 -3.459 1.00 2.89 H new ATOM 570 N PRO A 40 -1.368 16.382 -5.733 1.00 0.39 N ATOM 571 CA PRO A 40 -0.130 15.863 -6.287 1.00 0.39 C ATOM 572 C PRO A 40 0.915 15.591 -5.200 1.00 0.34 C ATOM 573 O PRO A 40 2.015 15.122 -5.491 1.00 0.40 O ATOM 574 CB PRO A 40 0.321 17.009 -7.187 1.00 0.51 C ATOM 575 CG PRO A 40 -0.152 18.248 -6.491 1.00 0.52 C ATOM 576 CD PRO A 40 -1.318 17.852 -5.613 1.00 0.53 C ATOM 0 HA PRO A 40 -0.258 14.910 -6.800 1.00 0.39 H new ATOM 0 HB2 PRO A 40 1.404 17.013 -7.310 1.00 0.51 H new ATOM 0 HB3 PRO A 40 -0.113 16.924 -8.183 1.00 0.51 H new ATOM 0 HG2 PRO A 40 0.649 18.683 -5.893 1.00 0.52 H new ATOM 0 HG3 PRO A 40 -0.455 19.004 -7.215 1.00 0.52 H new ATOM 0 HD2 PRO A 40 -1.164 18.164 -4.580 1.00 0.53 H new ATOM 0 HD3 PRO A 40 -2.247 18.312 -5.950 1.00 0.53 H new ATOM 584 N MET A 41 0.564 15.893 -3.946 1.00 0.31 N ATOM 585 CA MET A 41 1.468 15.686 -2.817 1.00 0.33 C ATOM 586 C MET A 41 0.843 14.755 -1.779 1.00 0.32 C ATOM 587 O MET A 41 0.395 15.203 -0.724 1.00 0.36 O ATOM 588 CB MET A 41 1.797 17.031 -2.163 1.00 0.39 C ATOM 589 CG MET A 41 2.956 16.968 -1.183 1.00 0.47 C ATOM 590 SD MET A 41 4.283 18.115 -1.605 1.00 1.30 S ATOM 591 CE MET A 41 5.394 17.876 -0.222 1.00 1.83 C ATOM 0 H MET A 41 -0.343 16.283 -3.690 1.00 0.31 H new ATOM 0 HA MET A 41 2.382 15.224 -3.192 1.00 0.33 H new ATOM 0 HB2 MET A 41 2.031 17.756 -2.942 1.00 0.39 H new ATOM 0 HB3 MET A 41 0.912 17.397 -1.642 1.00 0.39 H new ATOM 0 HG2 MET A 41 2.592 17.192 -0.180 1.00 0.47 H new ATOM 0 HG3 MET A 41 3.352 15.953 -1.159 1.00 0.47 H new ATOM 0 HE1 MET A 41 5.652 18.843 0.209 1.00 1.83 H new ATOM 0 HE2 MET A 41 4.907 17.260 0.534 1.00 1.83 H new ATOM 0 HE3 MET A 41 6.301 17.378 -0.566 1.00 1.83 H new ATOM 601 N PRO A 42 0.796 13.444 -2.069 1.00 0.32 N ATOM 602 CA PRO A 42 0.219 12.452 -1.174 1.00 0.34 C ATOM 603 C PRO A 42 1.267 11.763 -0.300 1.00 0.35 C ATOM 604 O PRO A 42 2.229 11.188 -0.809 1.00 0.43 O ATOM 605 CB PRO A 42 -0.376 11.460 -2.166 1.00 0.40 C ATOM 606 CG PRO A 42 0.564 11.481 -3.334 1.00 0.42 C ATOM 607 CD PRO A 42 1.283 12.815 -3.306 1.00 0.36 C ATOM 0 HA PRO A 42 -0.488 12.881 -0.464 1.00 0.34 H new ATOM 0 HB2 PRO A 42 -0.448 10.462 -1.733 1.00 0.40 H new ATOM 0 HB3 PRO A 42 -1.383 11.752 -2.463 1.00 0.40 H new ATOM 0 HG2 PRO A 42 1.276 10.658 -3.270 1.00 0.42 H new ATOM 0 HG3 PRO A 42 0.018 11.357 -4.269 1.00 0.42 H new ATOM 0 HD2 PRO A 42 2.365 12.687 -3.292 1.00 0.36 H new ATOM 0 HD3 PRO A 42 1.045 13.417 -4.183 1.00 0.36 H new ATOM 615 N THR A 43 1.064 11.811 1.013 1.00 0.32 N ATOM 616 CA THR A 43 1.982 11.176 1.954 1.00 0.35 C ATOM 617 C THR A 43 1.341 9.928 2.546 1.00 0.37 C ATOM 618 O THR A 43 0.389 10.022 3.317 1.00 0.48 O ATOM 619 CB THR A 43 2.372 12.134 3.096 1.00 0.41 C ATOM 620 OG1 THR A 43 2.852 13.370 2.555 1.00 0.94 O ATOM 621 CG2 THR A 43 3.440 11.514 3.982 1.00 1.00 C ATOM 0 H THR A 43 0.272 12.283 1.450 1.00 0.32 H new ATOM 0 HA THR A 43 2.884 10.907 1.404 1.00 0.35 H new ATOM 0 HB THR A 43 1.485 12.322 3.702 1.00 0.41 H new ATOM 0 HG1 THR A 43 3.096 13.974 3.287 1.00 0.94 H new ATOM 0 HG21 THR A 43 3.699 12.209 4.781 1.00 1.00 H new ATOM 0 HG22 THR A 43 3.061 10.588 4.415 1.00 1.00 H new ATOM 0 HG23 THR A 43 4.327 11.299 3.386 1.00 1.00 H new ATOM 629 N MET A 44 1.842 8.756 2.169 1.00 0.35 N ATOM 630 CA MET A 44 1.267 7.506 2.660 1.00 0.41 C ATOM 631 C MET A 44 2.254 6.690 3.487 1.00 0.38 C ATOM 632 O MET A 44 3.466 6.744 3.281 1.00 0.40 O ATOM 633 CB MET A 44 0.733 6.644 1.501 1.00 0.49 C ATOM 634 CG MET A 44 0.950 7.232 0.112 1.00 0.86 C ATOM 635 SD MET A 44 0.526 6.078 -1.205 1.00 1.82 S ATOM 636 CE MET A 44 -0.403 7.144 -2.305 1.00 2.30 C ATOM 0 H MET A 44 2.633 8.644 1.535 1.00 0.35 H new ATOM 0 HA MET A 44 0.440 7.791 3.311 1.00 0.41 H new ATOM 0 HB2 MET A 44 1.212 5.666 1.544 1.00 0.49 H new ATOM 0 HB3 MET A 44 -0.335 6.483 1.649 1.00 0.49 H new ATOM 0 HG2 MET A 44 0.349 8.135 0.006 1.00 0.86 H new ATOM 0 HG3 MET A 44 1.993 7.530 0.007 1.00 0.86 H new ATOM 0 HE1 MET A 44 -0.674 6.591 -3.204 1.00 2.30 H new ATOM 0 HE2 MET A 44 -1.308 7.486 -1.802 1.00 2.30 H new ATOM 0 HE3 MET A 44 0.207 8.005 -2.579 1.00 2.30 H new ATOM 646 N ARG A 45 1.698 5.913 4.413 1.00 0.36 N ATOM 647 CA ARG A 45 2.481 5.042 5.280 1.00 0.34 C ATOM 648 C ARG A 45 2.185 3.587 4.938 1.00 0.32 C ATOM 649 O ARG A 45 1.063 3.252 4.545 1.00 0.34 O ATOM 650 CB ARG A 45 2.161 5.317 6.750 1.00 0.37 C ATOM 651 CG ARG A 45 1.865 6.779 7.045 1.00 0.66 C ATOM 652 CD ARG A 45 3.002 7.680 6.593 1.00 0.88 C ATOM 653 NE ARG A 45 4.311 7.089 6.863 1.00 1.57 N ATOM 654 CZ ARG A 45 4.874 7.071 8.066 1.00 2.04 C ATOM 655 NH1 ARG A 45 4.245 7.604 9.104 1.00 2.22 N ATOM 656 NH2 ARG A 45 6.068 6.519 8.234 1.00 2.89 N ATOM 0 H ARG A 45 0.693 5.871 4.582 1.00 0.36 H new ATOM 0 HA ARG A 45 3.541 5.242 5.120 1.00 0.34 H new ATOM 0 HB2 ARG A 45 1.302 4.714 7.045 1.00 0.37 H new ATOM 0 HB3 ARG A 45 3.003 4.994 7.363 1.00 0.37 H new ATOM 0 HG2 ARG A 45 0.944 7.073 6.542 1.00 0.66 H new ATOM 0 HG3 ARG A 45 1.699 6.909 8.114 1.00 0.66 H new ATOM 0 HD2 ARG A 45 2.906 7.876 5.525 1.00 0.88 H new ATOM 0 HD3 ARG A 45 2.927 8.641 7.101 1.00 0.88 H new ATOM 0 HE ARG A 45 4.820 6.668 6.086 1.00 1.57 H new ATOM 0 HH11 ARG A 45 3.326 8.029 8.980 1.00 2.22 H new ATOM 0 HH12 ARG A 45 4.680 7.589 10.027 1.00 2.22 H new ATOM 0 HH21 ARG A 45 6.556 6.107 7.439 1.00 2.89 H new ATOM 0 HH22 ARG A 45 6.498 6.506 9.159 1.00 2.89 H new ATOM 670 N TRP A 46 3.187 2.724 5.066 1.00 0.31 N ATOM 671 CA TRP A 46 3.010 1.310 4.740 1.00 0.31 C ATOM 672 C TRP A 46 3.136 0.426 5.976 1.00 0.26 C ATOM 673 O TRP A 46 4.194 0.369 6.613 1.00 0.29 O ATOM 674 CB TRP A 46 4.031 0.863 3.682 1.00 0.39 C ATOM 675 CG TRP A 46 4.672 1.994 2.925 1.00 0.70 C ATOM 676 CD1 TRP A 46 5.848 2.617 3.229 1.00 1.52 C ATOM 677 CD2 TRP A 46 4.170 2.633 1.746 1.00 1.34 C ATOM 678 NE1 TRP A 46 6.111 3.601 2.307 1.00 1.62 N ATOM 679 CE2 TRP A 46 5.096 3.632 1.388 1.00 1.46 C ATOM 680 CE3 TRP A 46 3.029 2.457 0.957 1.00 2.43 C ATOM 681 CZ2 TRP A 46 4.916 4.450 0.277 1.00 2.14 C ATOM 682 CZ3 TRP A 46 2.853 3.271 -0.146 1.00 3.28 C ATOM 683 CH2 TRP A 46 3.792 4.256 -0.478 1.00 3.02 C ATOM 0 H TRP A 46 4.122 2.973 5.390 1.00 0.31 H new ATOM 0 HA TRP A 46 2.002 1.198 4.339 1.00 0.31 H new ATOM 0 HB2 TRP A 46 4.811 0.280 4.171 1.00 0.39 H new ATOM 0 HB3 TRP A 46 3.535 0.201 2.972 1.00 0.39 H new ATOM 0 HD1 TRP A 46 6.479 2.372 4.071 1.00 1.52 H new ATOM 0 HE1 TRP A 46 6.929 4.210 2.307 1.00 1.62 H new ATOM 0 HE3 TRP A 46 2.300 1.700 1.205 1.00 2.43 H new ATOM 0 HZ2 TRP A 46 5.638 5.211 0.020 1.00 2.14 H new ATOM 0 HZ3 TRP A 46 1.976 3.145 -0.763 1.00 3.28 H new ATOM 0 HH2 TRP A 46 3.625 4.875 -1.347 1.00 3.02 H new ATOM 694 N LEU A 47 2.048 -0.281 6.290 1.00 0.25 N ATOM 695 CA LEU A 47 2.006 -1.187 7.434 1.00 0.26 C ATOM 696 C LEU A 47 1.334 -2.502 7.049 1.00 0.24 C ATOM 697 O LEU A 47 0.190 -2.514 6.598 1.00 0.31 O ATOM 698 CB LEU A 47 1.252 -0.553 8.614 1.00 0.37 C ATOM 699 CG LEU A 47 0.953 0.943 8.483 1.00 0.80 C ATOM 700 CD1 LEU A 47 -0.240 1.322 9.347 1.00 1.58 C ATOM 701 CD2 LEU A 47 2.174 1.767 8.866 1.00 1.53 C ATOM 0 H LEU A 47 1.177 -0.240 5.760 1.00 0.25 H new ATOM 0 HA LEU A 47 3.034 -1.382 7.740 1.00 0.26 H new ATOM 0 HB2 LEU A 47 0.309 -1.083 8.746 1.00 0.37 H new ATOM 0 HB3 LEU A 47 1.836 -0.710 9.521 1.00 0.37 H new ATOM 0 HG LEU A 47 0.708 1.157 7.443 1.00 0.80 H new ATOM 0 HD11 LEU A 47 -0.440 2.388 9.243 1.00 1.58 H new ATOM 0 HD12 LEU A 47 -1.115 0.756 9.028 1.00 1.58 H new ATOM 0 HD13 LEU A 47 -0.021 1.094 10.390 1.00 1.58 H new ATOM 0 HD21 LEU A 47 1.943 2.828 8.767 1.00 1.53 H new ATOM 0 HD22 LEU A 47 2.450 1.551 9.898 1.00 1.53 H new ATOM 0 HD23 LEU A 47 3.005 1.514 8.208 1.00 1.53 H new ATOM 713 N LYS A 48 2.050 -3.605 7.228 1.00 0.22 N ATOM 714 CA LYS A 48 1.523 -4.923 6.900 1.00 0.25 C ATOM 715 C LYS A 48 1.634 -5.870 8.093 1.00 0.26 C ATOM 716 O LYS A 48 2.727 -6.119 8.600 1.00 0.31 O ATOM 717 CB LYS A 48 2.267 -5.508 5.697 1.00 0.34 C ATOM 718 CG LYS A 48 3.726 -5.082 5.613 1.00 0.41 C ATOM 719 CD LYS A 48 4.432 -5.739 4.438 1.00 0.88 C ATOM 720 CE LYS A 48 4.984 -7.105 4.813 1.00 0.73 C ATOM 721 NZ LYS A 48 5.054 -8.016 3.637 1.00 1.37 N ATOM 0 H LYS A 48 3.000 -3.612 7.600 1.00 0.22 H new ATOM 0 HA LYS A 48 0.469 -4.811 6.648 1.00 0.25 H new ATOM 0 HB2 LYS A 48 2.218 -6.596 5.744 1.00 0.34 H new ATOM 0 HB3 LYS A 48 1.756 -5.205 4.783 1.00 0.34 H new ATOM 0 HG2 LYS A 48 3.784 -3.998 5.514 1.00 0.41 H new ATOM 0 HG3 LYS A 48 4.237 -5.345 6.539 1.00 0.41 H new ATOM 0 HD2 LYS A 48 3.736 -5.843 3.606 1.00 0.88 H new ATOM 0 HD3 LYS A 48 5.245 -5.098 4.096 1.00 0.88 H new ATOM 0 HE2 LYS A 48 5.979 -6.989 5.243 1.00 0.73 H new ATOM 0 HE3 LYS A 48 4.355 -7.552 5.582 1.00 0.73 H new ATOM 0 HZ1 LYS A 48 5.255 -8.984 3.959 1.00 1.37 H new ATOM 0 HZ2 LYS A 48 4.145 -8.001 3.132 1.00 1.37 H new ATOM 0 HZ3 LYS A 48 5.811 -7.700 2.998 1.00 1.37 H new ATOM 735 N ASN A 49 0.495 -6.400 8.534 1.00 0.28 N ATOM 736 CA ASN A 49 0.466 -7.326 9.663 1.00 0.35 C ATOM 737 C ASN A 49 1.271 -6.788 10.843 1.00 0.39 C ATOM 738 O ASN A 49 1.943 -7.546 11.543 1.00 0.50 O ATOM 739 CB ASN A 49 1.014 -8.690 9.244 1.00 0.38 C ATOM 740 CG ASN A 49 0.365 -9.831 10.005 1.00 0.75 C ATOM 741 OD1 ASN A 49 -0.797 -10.163 9.774 1.00 1.53 O ATOM 742 ND2 ASN A 49 1.117 -10.438 10.916 1.00 1.32 N ATOM 0 H ASN A 49 -0.419 -6.204 8.127 1.00 0.28 H new ATOM 0 HA ASN A 49 -0.572 -7.434 9.977 1.00 0.35 H new ATOM 0 HB2 ASN A 49 0.853 -8.831 8.175 1.00 0.38 H new ATOM 0 HB3 ASN A 49 2.091 -8.712 9.409 1.00 0.38 H new ATOM 0 HD21 ASN A 49 0.735 -11.214 11.458 1.00 1.32 H new ATOM 0 HD22 ASN A 49 2.076 -10.129 11.074 1.00 1.32 H new ATOM 749 N GLY A 50 1.200 -5.480 11.061 1.00 0.38 N ATOM 750 CA GLY A 50 1.932 -4.873 12.157 1.00 0.45 C ATOM 751 C GLY A 50 3.390 -4.628 11.818 1.00 0.48 C ATOM 752 O GLY A 50 4.219 -4.446 12.709 1.00 0.68 O ATOM 0 H GLY A 50 0.650 -4.830 10.500 1.00 0.38 H new ATOM 0 HA2 GLY A 50 1.461 -3.927 12.424 1.00 0.45 H new ATOM 0 HA3 GLY A 50 1.870 -5.519 13.033 1.00 0.45 H new ATOM 756 N LYS A 51 3.700 -4.620 10.527 1.00 0.36 N ATOM 757 CA LYS A 51 5.066 -4.391 10.069 1.00 0.39 C ATOM 758 C LYS A 51 5.116 -3.211 9.107 1.00 0.38 C ATOM 759 O LYS A 51 4.360 -3.152 8.142 1.00 0.39 O ATOM 760 CB LYS A 51 5.615 -5.646 9.383 1.00 0.42 C ATOM 761 CG LYS A 51 7.069 -5.945 9.722 1.00 0.53 C ATOM 762 CD LYS A 51 8.008 -5.495 8.610 1.00 0.75 C ATOM 763 CE LYS A 51 8.710 -6.676 7.956 1.00 0.82 C ATOM 764 NZ LYS A 51 9.213 -7.653 8.961 1.00 1.36 N ATOM 0 H LYS A 51 3.024 -4.769 9.778 1.00 0.36 H new ATOM 0 HA LYS A 51 5.684 -4.162 10.937 1.00 0.39 H new ATOM 0 HB2 LYS A 51 5.002 -6.502 9.667 1.00 0.42 H new ATOM 0 HB3 LYS A 51 5.520 -5.530 8.303 1.00 0.42 H new ATOM 0 HG2 LYS A 51 7.337 -5.442 10.651 1.00 0.53 H new ATOM 0 HG3 LYS A 51 7.191 -7.015 9.891 1.00 0.53 H new ATOM 0 HD2 LYS A 51 7.444 -4.944 7.857 1.00 0.75 H new ATOM 0 HD3 LYS A 51 8.751 -4.809 9.016 1.00 0.75 H new ATOM 0 HE2 LYS A 51 8.020 -7.177 7.277 1.00 0.82 H new ATOM 0 HE3 LYS A 51 9.543 -6.314 7.354 1.00 0.82 H new ATOM 0 HZ1 LYS A 51 10.022 -8.173 8.565 1.00 1.36 H new ATOM 0 HZ2 LYS A 51 9.513 -7.146 9.818 1.00 1.36 H new ATOM 0 HZ3 LYS A 51 8.456 -8.323 9.203 1.00 1.36 H new ATOM 778 N GLU A 52 6.025 -2.281 9.359 1.00 0.38 N ATOM 779 CA GLU A 52 6.177 -1.119 8.494 1.00 0.39 C ATOM 780 C GLU A 52 7.357 -1.330 7.558 1.00 0.43 C ATOM 781 O GLU A 52 8.324 -1.999 7.922 1.00 0.49 O ATOM 782 CB GLU A 52 6.376 0.151 9.327 1.00 0.44 C ATOM 783 CG GLU A 52 7.489 0.039 10.358 1.00 1.03 C ATOM 784 CD GLU A 52 7.621 1.286 11.209 1.00 1.38 C ATOM 785 OE1 GLU A 52 6.625 1.673 11.855 1.00 1.90 O ATOM 786 OE2 GLU A 52 8.721 1.878 11.227 1.00 1.71 O ATOM 0 H GLU A 52 6.666 -2.307 10.152 1.00 0.38 H new ATOM 0 HA GLU A 52 5.269 -0.997 7.903 1.00 0.39 H new ATOM 0 HB2 GLU A 52 6.595 0.983 8.658 1.00 0.44 H new ATOM 0 HB3 GLU A 52 5.443 0.390 9.837 1.00 0.44 H new ATOM 0 HG2 GLU A 52 7.297 -0.818 11.003 1.00 1.03 H new ATOM 0 HG3 GLU A 52 8.434 -0.151 9.849 1.00 1.03 H new ATOM 793 N PHE A 53 7.289 -0.774 6.352 1.00 0.43 N ATOM 794 CA PHE A 53 8.389 -0.943 5.406 1.00 0.50 C ATOM 795 C PHE A 53 8.995 0.393 4.981 1.00 0.56 C ATOM 796 O PHE A 53 8.313 1.269 4.450 1.00 0.70 O ATOM 797 CB PHE A 53 7.949 -1.784 4.188 1.00 0.57 C ATOM 798 CG PHE A 53 7.438 -1.005 3.000 1.00 1.46 C ATOM 799 CD1 PHE A 53 8.296 -0.227 2.238 1.00 1.99 C ATOM 800 CD2 PHE A 53 6.103 -1.072 2.636 1.00 2.42 C ATOM 801 CE1 PHE A 53 7.830 0.475 1.143 1.00 3.14 C ATOM 802 CE2 PHE A 53 5.632 -0.375 1.540 1.00 3.55 C ATOM 803 CZ PHE A 53 6.497 0.400 0.792 1.00 3.85 C ATOM 0 H PHE A 53 6.506 -0.216 6.012 1.00 0.43 H new ATOM 0 HA PHE A 53 9.177 -1.491 5.922 1.00 0.50 H new ATOM 0 HB2 PHE A 53 8.795 -2.390 3.864 1.00 0.57 H new ATOM 0 HB3 PHE A 53 7.168 -2.473 4.509 1.00 0.57 H new ATOM 0 HD1 PHE A 53 9.341 -0.169 2.504 1.00 1.99 H new ATOM 0 HD2 PHE A 53 5.422 -1.677 3.216 1.00 2.42 H new ATOM 0 HE1 PHE A 53 8.508 1.082 0.562 1.00 3.14 H new ATOM 0 HE2 PHE A 53 4.589 -0.436 1.268 1.00 3.55 H new ATOM 0 HZ PHE A 53 6.131 0.946 -0.065 1.00 3.85 H new ATOM 813 N LYS A 54 10.293 0.517 5.214 1.00 0.64 N ATOM 814 CA LYS A 54 11.051 1.713 4.866 1.00 0.77 C ATOM 815 C LYS A 54 12.539 1.418 5.045 1.00 1.29 C ATOM 816 O LYS A 54 13.164 0.797 4.175 1.00 1.12 O ATOM 817 CB LYS A 54 10.612 2.908 5.721 1.00 0.86 C ATOM 818 CG LYS A 54 10.150 2.523 7.118 1.00 1.43 C ATOM 819 CD LYS A 54 8.642 2.664 7.265 1.00 1.82 C ATOM 820 CE LYS A 54 8.272 3.920 8.036 1.00 2.44 C ATOM 821 NZ LYS A 54 8.325 3.705 9.509 1.00 3.19 N ATOM 0 H LYS A 54 10.855 -0.213 5.652 1.00 0.64 H new ATOM 0 HA LYS A 54 10.860 1.979 3.827 1.00 0.77 H new ATOM 0 HB2 LYS A 54 11.442 3.609 5.803 1.00 0.86 H new ATOM 0 HB3 LYS A 54 9.802 3.430 5.211 1.00 0.86 H new ATOM 0 HG2 LYS A 54 10.443 1.494 7.329 1.00 1.43 H new ATOM 0 HG3 LYS A 54 10.649 3.153 7.854 1.00 1.43 H new ATOM 0 HD2 LYS A 54 8.180 2.693 6.278 1.00 1.82 H new ATOM 0 HD3 LYS A 54 8.242 1.790 7.779 1.00 1.82 H new ATOM 0 HE2 LYS A 54 8.952 4.727 7.762 1.00 2.44 H new ATOM 0 HE3 LYS A 54 7.269 4.238 7.752 1.00 2.44 H new ATOM 0 HZ1 LYS A 54 7.359 3.598 9.879 1.00 3.19 H new ATOM 0 HZ2 LYS A 54 8.872 2.845 9.715 1.00 3.19 H new ATOM 0 HZ3 LYS A 54 8.781 4.522 9.963 1.00 3.19 H new ATOM 885 N ARG A 58 12.168 -4.069 1.443 1.00 1.00 N ATOM 886 CA ARG A 58 11.782 -5.442 1.140 1.00 0.92 C ATOM 887 C ARG A 58 12.889 -6.204 0.430 1.00 0.69 C ATOM 888 O ARG A 58 13.581 -5.672 -0.442 1.00 0.78 O ATOM 889 CB ARG A 58 10.536 -5.451 0.258 1.00 1.23 C ATOM 890 CG ARG A 58 9.344 -4.751 0.879 1.00 1.36 C ATOM 891 CD ARG A 58 8.539 -5.703 1.744 1.00 1.75 C ATOM 892 NE ARG A 58 8.208 -5.120 3.040 1.00 2.44 N ATOM 893 CZ ARG A 58 7.940 -5.837 4.128 1.00 3.22 C ATOM 894 NH1 ARG A 58 7.962 -7.161 4.081 1.00 3.53 N ATOM 895 NH2 ARG A 58 7.648 -5.226 5.267 1.00 3.98 N ATOM 0 HA ARG A 58 11.581 -5.936 2.091 1.00 0.92 H new ATOM 0 HB2 ARG A 58 10.772 -4.973 -0.693 1.00 1.23 H new ATOM 0 HB3 ARG A 58 10.265 -6.484 0.038 1.00 1.23 H new ATOM 0 HG2 ARG A 58 9.686 -3.909 1.481 1.00 1.36 H new ATOM 0 HG3 ARG A 58 8.708 -4.343 0.093 1.00 1.36 H new ATOM 0 HD2 ARG A 58 7.620 -5.976 1.224 1.00 1.75 H new ATOM 0 HD3 ARG A 58 9.105 -6.622 1.894 1.00 1.75 H new ATOM 0 HE ARG A 58 8.180 -4.103 3.116 1.00 2.44 H new ATOM 0 HH11 ARG A 58 8.185 -7.637 3.207 1.00 3.53 H new ATOM 0 HH12 ARG A 58 7.756 -7.705 4.919 1.00 3.53 H new ATOM 0 HH21 ARG A 58 7.629 -4.207 5.309 1.00 3.98 H new ATOM 0 HH22 ARG A 58 7.442 -5.775 6.102 1.00 3.98 H new ATOM 909 N ILE A 59 13.030 -7.470 0.802 1.00 0.67 N ATOM 910 CA ILE A 59 14.032 -8.333 0.208 1.00 0.66 C ATOM 911 C ILE A 59 13.776 -8.498 -1.276 1.00 0.59 C ATOM 912 O ILE A 59 12.629 -8.561 -1.710 1.00 0.57 O ATOM 913 CB ILE A 59 14.049 -9.733 0.861 1.00 0.95 C ATOM 914 CG1 ILE A 59 13.803 -9.630 2.372 1.00 1.05 C ATOM 915 CG2 ILE A 59 15.372 -10.429 0.568 1.00 1.16 C ATOM 916 CD1 ILE A 59 14.122 -10.900 3.138 1.00 1.64 C ATOM 0 H ILE A 59 12.458 -7.920 1.517 1.00 0.67 H new ATOM 0 HA ILE A 59 14.998 -7.856 0.375 1.00 0.66 H new ATOM 0 HB ILE A 59 13.243 -10.330 0.434 1.00 0.95 H new ATOM 0 HG12 ILE A 59 14.406 -8.815 2.773 1.00 1.05 H new ATOM 0 HG13 ILE A 59 12.759 -9.368 2.543 1.00 1.05 H new ATOM 0 HG21 ILE A 59 15.375 -11.415 1.032 1.00 1.16 H new ATOM 0 HG22 ILE A 59 15.497 -10.535 -0.510 1.00 1.16 H new ATOM 0 HG23 ILE A 59 16.192 -9.836 0.971 1.00 1.16 H new ATOM 0 HD11 ILE A 59 13.922 -10.745 4.198 1.00 1.64 H new ATOM 0 HD12 ILE A 59 13.501 -11.715 2.766 1.00 1.64 H new ATOM 0 HD13 ILE A 59 15.173 -11.154 3.000 1.00 1.64 H new ATOM 928 N GLY A 60 14.845 -8.580 -2.047 1.00 0.70 N ATOM 929 CA GLY A 60 14.702 -8.757 -3.473 1.00 0.77 C ATOM 930 C GLY A 60 14.596 -7.456 -4.241 1.00 0.74 C ATOM 931 O GLY A 60 15.030 -7.391 -5.392 1.00 0.79 O ATOM 0 H GLY A 60 15.807 -8.527 -1.712 1.00 0.70 H new ATOM 0 HA2 GLY A 60 15.556 -9.321 -3.848 1.00 0.77 H new ATOM 0 HA3 GLY A 60 13.813 -9.357 -3.668 1.00 0.77 H new ATOM 935 N GLY A 61 14.015 -6.411 -3.643 1.00 0.70 N ATOM 936 CA GLY A 61 13.884 -5.157 -4.361 1.00 0.72 C ATOM 937 C GLY A 61 12.433 -4.747 -4.509 1.00 0.74 C ATOM 938 O GLY A 61 11.549 -5.601 -4.582 1.00 1.20 O ATOM 0 H GLY A 61 13.641 -6.413 -2.694 1.00 0.70 H new ATOM 0 HA2 GLY A 61 14.431 -4.376 -3.833 1.00 0.72 H new ATOM 0 HA3 GLY A 61 14.338 -5.253 -5.347 1.00 0.72 H new ATOM 942 N TYR A 62 12.178 -3.444 -4.544 1.00 0.69 N ATOM 943 CA TYR A 62 10.813 -2.948 -4.672 1.00 0.84 C ATOM 944 C TYR A 62 10.728 -1.788 -5.659 1.00 0.73 C ATOM 945 O TYR A 62 11.707 -1.079 -5.892 1.00 0.97 O ATOM 946 CB TYR A 62 10.278 -2.512 -3.307 1.00 1.36 C ATOM 947 CG TYR A 62 10.870 -1.215 -2.803 1.00 1.92 C ATOM 948 CD1 TYR A 62 12.213 -1.134 -2.456 1.00 2.32 C ATOM 949 CD2 TYR A 62 10.089 -0.073 -2.677 1.00 2.43 C ATOM 950 CE1 TYR A 62 12.761 0.048 -1.995 1.00 3.05 C ATOM 951 CE2 TYR A 62 10.632 1.114 -2.218 1.00 3.07 C ATOM 952 CZ TYR A 62 11.957 1.171 -1.877 1.00 3.35 C ATOM 953 OH TYR A 62 12.508 2.347 -1.422 1.00 4.10 O ATOM 0 H TYR A 62 12.892 -2.718 -4.486 1.00 0.69 H new ATOM 0 HA TYR A 62 10.200 -3.763 -5.057 1.00 0.84 H new ATOM 0 HB2 TYR A 62 9.195 -2.406 -3.369 1.00 1.36 H new ATOM 0 HB3 TYR A 62 10.480 -3.299 -2.580 1.00 1.36 H new ATOM 0 HD1 TYR A 62 12.839 -2.009 -2.548 1.00 2.32 H new ATOM 0 HD2 TYR A 62 9.043 -0.112 -2.941 1.00 2.43 H new ATOM 0 HE1 TYR A 62 13.807 0.096 -1.729 1.00 3.05 H new ATOM 0 HE2 TYR A 62 10.012 1.994 -2.129 1.00 3.07 H new ATOM 0 HH TYR A 62 11.818 3.043 -1.396 1.00 4.10 H new ATOM 963 N LYS A 63 9.543 -1.599 -6.229 1.00 0.66 N ATOM 964 CA LYS A 63 9.306 -0.525 -7.186 1.00 0.78 C ATOM 965 C LYS A 63 7.982 0.168 -6.891 1.00 0.67 C ATOM 966 O LYS A 63 7.006 -0.475 -6.502 1.00 0.54 O ATOM 967 CB LYS A 63 9.308 -1.070 -8.616 1.00 1.11 C ATOM 968 CG LYS A 63 10.522 -1.927 -8.939 1.00 1.28 C ATOM 969 CD LYS A 63 10.122 -3.347 -9.306 1.00 1.83 C ATOM 970 CE LYS A 63 10.571 -4.343 -8.248 1.00 2.36 C ATOM 971 NZ LYS A 63 10.820 -5.692 -8.825 1.00 3.18 N ATOM 0 H LYS A 63 8.726 -2.181 -6.043 1.00 0.66 H new ATOM 0 HA LYS A 63 10.111 0.203 -7.090 1.00 0.78 H new ATOM 0 HB2 LYS A 63 8.405 -1.660 -8.772 1.00 1.11 H new ATOM 0 HB3 LYS A 63 9.267 -0.234 -9.315 1.00 1.11 H new ATOM 0 HG2 LYS A 63 11.075 -1.479 -9.765 1.00 1.28 H new ATOM 0 HG3 LYS A 63 11.193 -1.948 -8.080 1.00 1.28 H new ATOM 0 HD2 LYS A 63 9.040 -3.402 -9.424 1.00 1.83 H new ATOM 0 HD3 LYS A 63 10.561 -3.613 -10.267 1.00 1.83 H new ATOM 0 HE2 LYS A 63 11.481 -3.979 -7.770 1.00 2.36 H new ATOM 0 HE3 LYS A 63 9.810 -4.415 -7.471 1.00 2.36 H new ATOM 0 HZ1 LYS A 63 11.124 -6.341 -8.071 1.00 3.18 H new ATOM 0 HZ2 LYS A 63 9.946 -6.051 -9.259 1.00 3.18 H new ATOM 0 HZ3 LYS A 63 11.565 -5.628 -9.548 1.00 3.18 H new ATOM 985 N VAL A 64 7.955 1.482 -7.071 1.00 0.81 N ATOM 986 CA VAL A 64 6.748 2.258 -6.816 1.00 0.77 C ATOM 987 C VAL A 64 6.507 3.294 -7.908 1.00 0.82 C ATOM 988 O VAL A 64 7.442 3.940 -8.384 1.00 0.89 O ATOM 989 CB VAL A 64 6.822 2.975 -5.455 1.00 0.85 C ATOM 990 CG1 VAL A 64 6.784 1.967 -4.317 1.00 1.49 C ATOM 991 CG2 VAL A 64 8.074 3.836 -5.374 1.00 1.71 C ATOM 0 H VAL A 64 8.752 2.032 -7.392 1.00 0.81 H new ATOM 0 HA VAL A 64 5.919 1.551 -6.807 1.00 0.77 H new ATOM 0 HB VAL A 64 5.953 3.627 -5.360 1.00 0.85 H new ATOM 0 HG11 VAL A 64 6.837 2.493 -3.364 1.00 1.49 H new ATOM 0 HG12 VAL A 64 5.856 1.398 -4.366 1.00 1.49 H new ATOM 0 HG13 VAL A 64 7.632 1.287 -4.405 1.00 1.49 H new ATOM 0 HG21 VAL A 64 8.110 4.335 -4.406 1.00 1.71 H new ATOM 0 HG22 VAL A 64 8.956 3.207 -5.491 1.00 1.71 H new ATOM 0 HG23 VAL A 64 8.054 4.583 -6.167 1.00 1.71 H new ATOM 1001 N ARG A 65 5.247 3.449 -8.299 1.00 0.82 N ATOM 1002 CA ARG A 65 4.879 4.410 -9.332 1.00 0.92 C ATOM 1003 C ARG A 65 4.802 5.821 -8.757 1.00 1.03 C ATOM 1004 O ARG A 65 4.203 6.042 -7.705 1.00 1.18 O ATOM 1005 CB ARG A 65 3.539 4.025 -9.957 1.00 0.96 C ATOM 1006 CG ARG A 65 3.630 3.716 -11.442 1.00 1.51 C ATOM 1007 CD ARG A 65 3.951 4.962 -12.251 1.00 2.02 C ATOM 1008 NE ARG A 65 2.744 5.612 -12.750 1.00 2.60 N ATOM 1009 CZ ARG A 65 2.756 6.650 -13.579 1.00 3.22 C ATOM 1010 NH1 ARG A 65 3.910 7.155 -13.996 1.00 3.52 N ATOM 1011 NH2 ARG A 65 1.615 7.185 -13.991 1.00 3.99 N ATOM 0 H ARG A 65 4.463 2.921 -7.916 1.00 0.82 H new ATOM 0 HA ARG A 65 5.649 4.394 -10.103 1.00 0.92 H new ATOM 0 HB2 ARG A 65 3.141 3.154 -9.436 1.00 0.96 H new ATOM 0 HB3 ARG A 65 2.829 4.838 -9.806 1.00 0.96 H new ATOM 0 HG2 ARG A 65 4.399 2.963 -11.612 1.00 1.51 H new ATOM 0 HG3 ARG A 65 2.687 3.291 -11.785 1.00 1.51 H new ATOM 0 HD2 ARG A 65 4.511 5.663 -11.632 1.00 2.02 H new ATOM 0 HD3 ARG A 65 4.593 4.695 -13.090 1.00 2.02 H new ATOM 0 HE ARG A 65 1.841 5.249 -12.445 1.00 2.60 H new ATOM 0 HH11 ARG A 65 4.789 6.746 -13.680 1.00 3.52 H new ATOM 0 HH12 ARG A 65 3.918 7.952 -14.633 1.00 3.52 H new ATOM 0 HH21 ARG A 65 0.726 6.800 -13.671 1.00 3.99 H new ATOM 0 HH22 ARG A 65 1.626 7.982 -14.627 1.00 3.99 H new ATOM 1025 N ASN A 66 5.418 6.772 -9.454 1.00 1.03 N ATOM 1026 CA ASN A 66 5.425 8.162 -9.012 1.00 1.16 C ATOM 1027 C ASN A 66 4.125 8.867 -9.389 1.00 1.03 C ATOM 1028 O ASN A 66 4.143 9.899 -10.059 1.00 1.79 O ATOM 1029 CB ASN A 66 6.613 8.904 -9.625 1.00 1.96 C ATOM 1030 CG ASN A 66 7.933 8.516 -8.986 1.00 2.83 C ATOM 1031 OD1 ASN A 66 8.225 8.900 -7.855 1.00 3.41 O ATOM 1032 ND2 ASN A 66 8.738 7.750 -9.713 1.00 3.48 N ATOM 0 H ASN A 66 5.918 6.605 -10.327 1.00 1.03 H new ATOM 0 HA ASN A 66 5.516 8.169 -7.926 1.00 1.16 H new ATOM 0 HB2 ASN A 66 6.655 8.695 -10.694 1.00 1.96 H new ATOM 0 HB3 ASN A 66 6.462 9.978 -9.516 1.00 1.96 H new ATOM 0 HD21 ASN A 66 9.640 7.457 -9.337 1.00 3.48 H new ATOM 0 HD22 ASN A 66 8.455 7.455 -10.647 1.00 3.48 H new ATOM 1039 N GLN A 67 3.001 8.307 -8.955 1.00 1.15 N ATOM 1040 CA GLN A 67 1.697 8.892 -9.254 1.00 1.99 C ATOM 1041 C GLN A 67 0.629 8.386 -8.287 1.00 1.73 C ATOM 1042 O GLN A 67 -0.556 8.354 -8.622 1.00 2.55 O ATOM 1043 CB GLN A 67 1.288 8.571 -10.692 1.00 2.86 C ATOM 1044 CG GLN A 67 1.896 9.507 -11.723 1.00 3.88 C ATOM 1045 CD GLN A 67 1.706 10.970 -11.371 1.00 4.69 C ATOM 1046 OE1 GLN A 67 0.582 11.435 -11.187 1.00 5.12 O ATOM 1047 NE2 GLN A 67 2.809 11.704 -11.279 1.00 5.31 N ATOM 0 H GLN A 67 2.965 7.453 -8.398 1.00 1.15 H new ATOM 0 HA GLN A 67 1.782 9.972 -9.137 1.00 1.99 H new ATOM 0 HB2 GLN A 67 1.583 7.548 -10.924 1.00 2.86 H new ATOM 0 HB3 GLN A 67 0.202 8.615 -10.770 1.00 2.86 H new ATOM 0 HG2 GLN A 67 2.961 9.295 -11.816 1.00 3.88 H new ATOM 0 HG3 GLN A 67 1.446 9.310 -12.696 1.00 3.88 H new ATOM 0 HE21 GLN A 67 3.721 11.276 -11.440 1.00 5.31 H new ATOM 0 HE22 GLN A 67 2.744 12.695 -11.048 1.00 5.31 H new ATOM 1056 N HIS A 68 1.052 7.991 -7.086 1.00 0.89 N ATOM 1057 CA HIS A 68 0.126 7.488 -6.068 1.00 0.62 C ATOM 1058 C HIS A 68 -0.913 6.545 -6.678 1.00 0.68 C ATOM 1059 O HIS A 68 -2.112 6.817 -6.628 1.00 1.37 O ATOM 1060 CB HIS A 68 -0.581 8.654 -5.370 1.00 0.63 C ATOM 1061 CG HIS A 68 -1.055 9.718 -6.310 1.00 1.42 C ATOM 1062 ND1 HIS A 68 -0.331 10.861 -6.584 1.00 2.23 N ATOM 1063 CD2 HIS A 68 -2.188 9.810 -7.048 1.00 2.22 C ATOM 1064 CE1 HIS A 68 -0.997 11.607 -7.446 1.00 2.85 C ATOM 1065 NE2 HIS A 68 -2.127 10.992 -7.743 1.00 2.83 N ATOM 0 H HIS A 68 2.029 8.009 -6.793 1.00 0.89 H new ATOM 0 HA HIS A 68 0.709 6.928 -5.337 1.00 0.62 H new ATOM 0 HB2 HIS A 68 -1.434 8.269 -4.811 1.00 0.63 H new ATOM 0 HB3 HIS A 68 0.100 9.099 -4.645 1.00 0.63 H new ATOM 0 HD2 HIS A 68 -2.990 9.087 -7.083 1.00 2.22 H new ATOM 0 HE1 HIS A 68 -0.673 12.558 -7.841 1.00 2.85 H new ATOM 0 HE2 HIS A 68 -2.839 11.339 -8.385 1.00 2.83 H new ATOM 1074 N TRP A 69 -0.447 5.441 -7.255 1.00 0.51 N ATOM 1075 CA TRP A 69 -1.346 4.471 -7.877 1.00 0.45 C ATOM 1076 C TRP A 69 -1.094 3.056 -7.358 1.00 0.37 C ATOM 1077 O TRP A 69 -1.885 2.526 -6.577 1.00 0.44 O ATOM 1078 CB TRP A 69 -1.196 4.512 -9.400 1.00 0.56 C ATOM 1079 CG TRP A 69 -2.246 3.723 -10.122 1.00 0.93 C ATOM 1080 CD1 TRP A 69 -3.560 3.600 -9.776 1.00 1.16 C ATOM 1081 CD2 TRP A 69 -2.069 2.946 -11.311 1.00 1.62 C ATOM 1082 NE1 TRP A 69 -4.213 2.795 -10.678 1.00 1.72 N ATOM 1083 CE2 TRP A 69 -3.318 2.381 -11.630 1.00 2.01 C ATOM 1084 CE3 TRP A 69 -0.974 2.673 -12.139 1.00 2.13 C ATOM 1085 CZ2 TRP A 69 -3.503 1.560 -12.740 1.00 2.74 C ATOM 1086 CZ3 TRP A 69 -1.160 1.859 -13.240 1.00 2.88 C ATOM 1087 CH2 TRP A 69 -2.415 1.312 -13.533 1.00 3.14 C ATOM 0 H TRP A 69 0.542 5.196 -7.305 1.00 0.51 H new ATOM 0 HA TRP A 69 -2.367 4.745 -7.610 1.00 0.45 H new ATOM 0 HB2 TRP A 69 -1.237 5.549 -9.734 1.00 0.56 H new ATOM 0 HB3 TRP A 69 -0.213 4.128 -9.671 1.00 0.56 H new ATOM 0 HD1 TRP A 69 -4.020 4.067 -8.918 1.00 1.16 H new ATOM 0 HE1 TRP A 69 -5.202 2.546 -10.645 1.00 1.72 H new ATOM 0 HE3 TRP A 69 -0.002 3.091 -11.921 1.00 2.13 H new ATOM 0 HZ2 TRP A 69 -4.469 1.135 -12.967 1.00 2.74 H new ATOM 0 HZ3 TRP A 69 -0.322 1.641 -13.886 1.00 2.88 H new ATOM 0 HH2 TRP A 69 -2.527 0.681 -14.403 1.00 3.14 H new ATOM 1098 N SER A 70 0.002 2.441 -7.798 1.00 0.35 N ATOM 1099 CA SER A 70 0.334 1.083 -7.374 1.00 0.33 C ATOM 1100 C SER A 70 1.784 0.987 -6.910 1.00 0.36 C ATOM 1101 O SER A 70 2.614 1.833 -7.245 1.00 0.39 O ATOM 1102 CB SER A 70 0.089 0.093 -8.516 1.00 0.40 C ATOM 1103 OG SER A 70 0.974 0.333 -9.597 1.00 1.02 O ATOM 0 H SER A 70 0.672 2.859 -8.444 1.00 0.35 H new ATOM 0 HA SER A 70 -0.313 0.830 -6.534 1.00 0.33 H new ATOM 0 HB2 SER A 70 0.221 -0.926 -8.153 1.00 0.40 H new ATOM 0 HB3 SER A 70 -0.942 0.177 -8.860 1.00 0.40 H new ATOM 0 HG SER A 70 0.799 -0.313 -10.313 1.00 1.02 H new ATOM 1109 N LEU A 71 2.085 -0.066 -6.156 1.00 0.38 N ATOM 1110 CA LEU A 71 3.437 -0.306 -5.660 1.00 0.44 C ATOM 1111 C LEU A 71 3.732 -1.804 -5.652 1.00 0.44 C ATOM 1112 O LEU A 71 2.832 -2.614 -5.432 1.00 0.52 O ATOM 1113 CB LEU A 71 3.623 0.278 -4.254 1.00 0.51 C ATOM 1114 CG LEU A 71 2.334 0.646 -3.514 1.00 0.63 C ATOM 1115 CD1 LEU A 71 2.582 0.723 -2.016 1.00 0.98 C ATOM 1116 CD2 LEU A 71 1.783 1.965 -4.033 1.00 0.80 C ATOM 0 H LEU A 71 1.405 -0.772 -5.873 1.00 0.38 H new ATOM 0 HA LEU A 71 4.138 0.194 -6.328 1.00 0.44 H new ATOM 0 HB2 LEU A 71 4.174 -0.443 -3.650 1.00 0.51 H new ATOM 0 HB3 LEU A 71 4.244 1.170 -4.330 1.00 0.51 H new ATOM 0 HG LEU A 71 1.595 -0.133 -3.699 1.00 0.63 H new ATOM 0 HD11 LEU A 71 1.655 0.986 -1.507 1.00 0.98 H new ATOM 0 HD12 LEU A 71 2.933 -0.244 -1.655 1.00 0.98 H new ATOM 0 HD13 LEU A 71 3.336 1.482 -1.811 1.00 0.98 H new ATOM 0 HD21 LEU A 71 0.867 2.213 -3.497 1.00 0.80 H new ATOM 0 HD22 LEU A 71 2.519 2.753 -3.877 1.00 0.80 H new ATOM 0 HD23 LEU A 71 1.568 1.876 -5.098 1.00 0.80 H new ATOM 1128 N ILE A 72 4.985 -2.177 -5.889 1.00 0.39 N ATOM 1129 CA ILE A 72 5.359 -3.587 -5.899 1.00 0.39 C ATOM 1130 C ILE A 72 6.528 -3.870 -4.960 1.00 0.36 C ATOM 1131 O ILE A 72 7.599 -3.275 -5.084 1.00 0.38 O ATOM 1132 CB ILE A 72 5.727 -4.071 -7.315 1.00 0.42 C ATOM 1133 CG1 ILE A 72 5.892 -5.593 -7.328 1.00 0.44 C ATOM 1134 CG2 ILE A 72 6.998 -3.389 -7.799 1.00 0.45 C ATOM 1135 CD1 ILE A 72 6.316 -6.144 -8.674 1.00 1.12 C ATOM 0 H ILE A 72 5.752 -1.531 -6.075 1.00 0.39 H new ATOM 0 HA ILE A 72 4.482 -4.134 -5.552 1.00 0.39 H new ATOM 0 HB ILE A 72 4.918 -3.805 -7.995 1.00 0.42 H new ATOM 0 HG12 ILE A 72 6.631 -5.877 -6.579 1.00 0.44 H new ATOM 0 HG13 ILE A 72 4.949 -6.055 -7.036 1.00 0.44 H new ATOM 0 HG21 ILE A 72 7.242 -3.743 -8.800 1.00 0.45 H new ATOM 0 HG22 ILE A 72 6.845 -2.310 -7.823 1.00 0.45 H new ATOM 0 HG23 ILE A 72 7.818 -3.625 -7.121 1.00 0.45 H new ATOM 0 HD11 ILE A 72 6.413 -7.228 -8.609 1.00 1.12 H new ATOM 0 HD12 ILE A 72 5.566 -5.891 -9.423 1.00 1.12 H new ATOM 0 HD13 ILE A 72 7.274 -5.710 -8.959 1.00 1.12 H new ATOM 1147 N MET A 73 6.315 -4.792 -4.025 1.00 0.36 N ATOM 1148 CA MET A 73 7.349 -5.171 -3.068 1.00 0.36 C ATOM 1149 C MET A 73 7.609 -6.673 -3.125 1.00 0.33 C ATOM 1150 O MET A 73 6.692 -7.461 -3.356 1.00 0.43 O ATOM 1151 CB MET A 73 6.939 -4.767 -1.648 1.00 0.43 C ATOM 1152 CG MET A 73 5.443 -4.865 -1.393 1.00 0.83 C ATOM 1153 SD MET A 73 5.048 -5.010 0.361 1.00 1.86 S ATOM 1154 CE MET A 73 5.612 -3.422 0.970 1.00 2.56 C ATOM 0 H MET A 73 5.433 -5.291 -3.910 1.00 0.36 H new ATOM 0 HA MET A 73 8.266 -4.646 -3.334 1.00 0.36 H new ATOM 0 HB2 MET A 73 7.463 -5.402 -0.933 1.00 0.43 H new ATOM 0 HB3 MET A 73 7.264 -3.743 -1.463 1.00 0.43 H new ATOM 0 HG2 MET A 73 4.950 -3.983 -1.801 1.00 0.83 H new ATOM 0 HG3 MET A 73 5.043 -5.728 -1.925 1.00 0.83 H new ATOM 0 HE1 MET A 73 6.447 -3.571 1.655 1.00 2.56 H new ATOM 0 HE2 MET A 73 5.936 -2.805 0.132 1.00 2.56 H new ATOM 0 HE3 MET A 73 4.797 -2.923 1.494 1.00 2.56 H new ATOM 1164 N GLU A 74 8.862 -7.064 -2.917 1.00 0.33 N ATOM 1165 CA GLU A 74 9.234 -8.475 -2.950 1.00 0.31 C ATOM 1166 C GLU A 74 9.396 -9.033 -1.539 1.00 0.31 C ATOM 1167 O GLU A 74 10.331 -8.678 -0.823 1.00 0.37 O ATOM 1168 CB GLU A 74 10.529 -8.669 -3.736 1.00 0.37 C ATOM 1169 CG GLU A 74 11.070 -10.091 -3.680 1.00 0.41 C ATOM 1170 CD GLU A 74 11.787 -10.491 -4.956 1.00 0.89 C ATOM 1171 OE1 GLU A 74 11.478 -9.912 -6.017 1.00 1.12 O ATOM 1172 OE2 GLU A 74 12.661 -11.383 -4.890 1.00 1.52 O ATOM 0 H GLU A 74 9.635 -6.427 -2.724 1.00 0.33 H new ATOM 0 HA GLU A 74 8.431 -9.019 -3.447 1.00 0.31 H new ATOM 0 HB2 GLU A 74 10.357 -8.396 -4.777 1.00 0.37 H new ATOM 0 HB3 GLU A 74 11.285 -7.986 -3.348 1.00 0.37 H new ATOM 0 HG2 GLU A 74 11.756 -10.182 -2.838 1.00 0.41 H new ATOM 0 HG3 GLU A 74 10.247 -10.782 -3.497 1.00 0.41 H new ATOM 1179 N SER A 75 8.481 -9.915 -1.152 1.00 0.29 N ATOM 1180 CA SER A 75 8.524 -10.531 0.167 1.00 0.33 C ATOM 1181 C SER A 75 8.346 -12.044 0.059 1.00 0.33 C ATOM 1182 O SER A 75 7.224 -12.539 -0.047 1.00 0.38 O ATOM 1183 CB SER A 75 7.438 -9.938 1.067 1.00 0.41 C ATOM 1184 OG SER A 75 6.175 -10.521 0.798 1.00 1.32 O ATOM 0 H SER A 75 7.700 -10.219 -1.734 1.00 0.29 H new ATOM 0 HA SER A 75 9.499 -10.326 0.609 1.00 0.33 H new ATOM 0 HB2 SER A 75 7.701 -10.099 2.113 1.00 0.41 H new ATOM 0 HB3 SER A 75 7.384 -8.860 0.914 1.00 0.41 H new ATOM 0 HG SER A 75 6.249 -11.119 0.025 1.00 1.32 H new ATOM 1190 N VAL A 76 9.457 -12.774 0.079 1.00 0.37 N ATOM 1191 CA VAL A 76 9.414 -14.227 -0.025 1.00 0.41 C ATOM 1192 C VAL A 76 9.071 -14.872 1.314 1.00 0.43 C ATOM 1193 O VAL A 76 8.310 -15.838 1.369 1.00 0.46 O ATOM 1194 CB VAL A 76 10.751 -14.804 -0.534 1.00 0.48 C ATOM 1195 CG1 VAL A 76 10.914 -14.545 -2.025 1.00 1.54 C ATOM 1196 CG2 VAL A 76 11.925 -14.226 0.244 1.00 1.33 C ATOM 0 H VAL A 76 10.395 -12.384 0.166 1.00 0.37 H new ATOM 0 HA VAL A 76 8.631 -14.460 -0.747 1.00 0.41 H new ATOM 0 HB VAL A 76 10.738 -15.882 -0.372 1.00 0.48 H new ATOM 0 HG11 VAL A 76 11.863 -14.960 -2.365 1.00 1.54 H new ATOM 0 HG12 VAL A 76 10.096 -15.018 -2.568 1.00 1.54 H new ATOM 0 HG13 VAL A 76 10.900 -13.471 -2.211 1.00 1.54 H new ATOM 0 HG21 VAL A 76 12.856 -14.649 -0.134 1.00 1.33 H new ATOM 0 HG22 VAL A 76 11.943 -13.143 0.124 1.00 1.33 H new ATOM 0 HG23 VAL A 76 11.818 -14.472 1.300 1.00 1.33 H new ATOM 1206 N VAL A 77 9.640 -14.340 2.390 1.00 0.45 N ATOM 1207 CA VAL A 77 9.390 -14.876 3.725 1.00 0.49 C ATOM 1208 C VAL A 77 8.224 -14.165 4.411 1.00 0.45 C ATOM 1209 O VAL A 77 7.336 -14.812 4.964 1.00 0.47 O ATOM 1210 CB VAL A 77 10.636 -14.782 4.635 1.00 0.57 C ATOM 1211 CG1 VAL A 77 10.587 -15.856 5.710 1.00 0.80 C ATOM 1212 CG2 VAL A 77 11.918 -14.897 3.820 1.00 0.77 C ATOM 0 H VAL A 77 10.275 -13.542 2.366 1.00 0.45 H new ATOM 0 HA VAL A 77 9.138 -15.926 3.580 1.00 0.49 H new ATOM 0 HB VAL A 77 10.632 -13.805 5.118 1.00 0.57 H new ATOM 0 HG11 VAL A 77 11.471 -15.778 6.343 1.00 0.80 H new ATOM 0 HG12 VAL A 77 9.692 -15.722 6.318 1.00 0.80 H new ATOM 0 HG13 VAL A 77 10.563 -16.840 5.241 1.00 0.80 H new ATOM 0 HG21 VAL A 77 12.779 -14.828 4.485 1.00 0.77 H new ATOM 0 HG22 VAL A 77 11.935 -15.856 3.302 1.00 0.77 H new ATOM 0 HG23 VAL A 77 11.958 -14.090 3.089 1.00 0.77 H new ATOM 1222 N PRO A 78 8.213 -12.820 4.392 1.00 0.43 N ATOM 1223 CA PRO A 78 7.147 -12.034 5.024 1.00 0.41 C ATOM 1224 C PRO A 78 5.772 -12.340 4.438 1.00 0.35 C ATOM 1225 O PRO A 78 4.747 -12.040 5.050 1.00 0.34 O ATOM 1226 CB PRO A 78 7.538 -10.581 4.733 1.00 0.42 C ATOM 1227 CG PRO A 78 8.992 -10.627 4.412 1.00 0.48 C ATOM 1228 CD PRO A 78 9.230 -11.961 3.764 1.00 0.46 C ATOM 0 HA PRO A 78 7.062 -12.258 6.087 1.00 0.41 H new ATOM 0 HB2 PRO A 78 6.963 -10.177 3.900 1.00 0.42 H new ATOM 0 HB3 PRO A 78 7.344 -9.941 5.594 1.00 0.42 H new ATOM 0 HG2 PRO A 78 9.270 -9.813 3.743 1.00 0.48 H new ATOM 0 HG3 PRO A 78 9.594 -10.518 5.314 1.00 0.48 H new ATOM 0 HD2 PRO A 78 9.105 -11.912 2.682 1.00 0.46 H new ATOM 0 HD3 PRO A 78 10.239 -12.327 3.952 1.00 0.46 H new ATOM 1236 N SER A 79 5.754 -12.940 3.253 1.00 0.34 N ATOM 1237 CA SER A 79 4.498 -13.282 2.593 1.00 0.34 C ATOM 1238 C SER A 79 3.603 -14.094 3.521 1.00 0.38 C ATOM 1239 O SER A 79 2.384 -14.113 3.357 1.00 0.39 O ATOM 1240 CB SER A 79 4.766 -14.060 1.304 1.00 0.39 C ATOM 1241 OG SER A 79 3.650 -14.858 0.948 1.00 1.13 O ATOM 0 H SER A 79 6.591 -13.199 2.731 1.00 0.34 H new ATOM 0 HA SER A 79 3.983 -12.355 2.342 1.00 0.34 H new ATOM 0 HB2 SER A 79 4.992 -13.364 0.496 1.00 0.39 H new ATOM 0 HB3 SER A 79 5.643 -14.694 1.434 1.00 0.39 H new ATOM 0 HG SER A 79 3.420 -14.699 0.009 1.00 1.13 H new ATOM 1247 N ASP A 80 4.208 -14.754 4.503 1.00 0.43 N ATOM 1248 CA ASP A 80 3.444 -15.550 5.454 1.00 0.50 C ATOM 1249 C ASP A 80 2.359 -14.696 6.088 1.00 0.42 C ATOM 1250 O ASP A 80 1.256 -15.175 6.354 1.00 0.47 O ATOM 1251 CB ASP A 80 4.360 -16.133 6.532 1.00 0.62 C ATOM 1252 CG ASP A 80 3.746 -17.333 7.226 1.00 1.27 C ATOM 1253 OD1 ASP A 80 3.430 -18.322 6.533 1.00 2.02 O ATOM 1254 OD2 ASP A 80 3.579 -17.283 8.463 1.00 1.69 O ATOM 0 H ASP A 80 5.216 -14.754 4.660 1.00 0.43 H new ATOM 0 HA ASP A 80 2.978 -16.378 4.920 1.00 0.50 H new ATOM 0 HB2 ASP A 80 5.308 -16.424 6.080 1.00 0.62 H new ATOM 0 HB3 ASP A 80 4.582 -15.363 7.271 1.00 0.62 H new ATOM 1259 N LYS A 81 2.665 -13.422 6.301 1.00 0.38 N ATOM 1260 CA LYS A 81 1.692 -12.511 6.872 1.00 0.33 C ATOM 1261 C LYS A 81 0.936 -11.812 5.752 1.00 0.26 C ATOM 1262 O LYS A 81 1.485 -10.967 5.045 1.00 0.27 O ATOM 1263 CB LYS A 81 2.380 -11.477 7.771 1.00 0.40 C ATOM 1264 CG LYS A 81 3.585 -10.807 7.126 1.00 0.91 C ATOM 1265 CD LYS A 81 3.872 -9.453 7.754 1.00 1.02 C ATOM 1266 CE LYS A 81 5.246 -8.935 7.358 1.00 0.87 C ATOM 1267 NZ LYS A 81 6.330 -9.555 8.170 1.00 1.23 N ATOM 0 H LYS A 81 3.570 -13.003 6.088 1.00 0.38 H new ATOM 0 HA LYS A 81 0.991 -13.080 7.483 1.00 0.33 H new ATOM 0 HB2 LYS A 81 1.656 -10.711 8.048 1.00 0.40 H new ATOM 0 HB3 LYS A 81 2.697 -11.965 8.693 1.00 0.40 H new ATOM 0 HG2 LYS A 81 4.459 -11.450 7.230 1.00 0.91 H new ATOM 0 HG3 LYS A 81 3.405 -10.683 6.058 1.00 0.91 H new ATOM 0 HD2 LYS A 81 3.109 -8.738 7.445 1.00 1.02 H new ATOM 0 HD3 LYS A 81 3.811 -9.534 8.839 1.00 1.02 H new ATOM 0 HE2 LYS A 81 5.421 -9.141 6.302 1.00 0.87 H new ATOM 0 HE3 LYS A 81 5.275 -7.852 7.481 1.00 0.87 H new ATOM 0 HZ1 LYS A 81 7.253 -9.214 7.835 1.00 1.23 H new ATOM 0 HZ2 LYS A 81 6.207 -9.295 9.170 1.00 1.23 H new ATOM 0 HZ3 LYS A 81 6.288 -10.590 8.073 1.00 1.23 H new ATOM 1281 N GLY A 82 -0.325 -12.184 5.590 1.00 0.24 N ATOM 1282 CA GLY A 82 -1.143 -11.603 4.547 1.00 0.24 C ATOM 1283 C GLY A 82 -2.035 -10.495 5.068 1.00 0.28 C ATOM 1284 O GLY A 82 -3.250 -10.517 4.876 1.00 0.53 O ATOM 0 H GLY A 82 -0.798 -12.881 6.165 1.00 0.24 H new ATOM 0 HA2 GLY A 82 -0.500 -11.209 3.760 1.00 0.24 H new ATOM 0 HA3 GLY A 82 -1.759 -12.381 4.095 1.00 0.24 H new ATOM 1288 N ASN A 83 -1.416 -9.516 5.718 1.00 0.23 N ATOM 1289 CA ASN A 83 -2.135 -8.373 6.262 1.00 0.28 C ATOM 1290 C ASN A 83 -1.534 -7.073 5.737 1.00 0.30 C ATOM 1291 O ASN A 83 -0.400 -6.729 6.075 1.00 0.36 O ATOM 1292 CB ASN A 83 -2.089 -8.398 7.789 1.00 0.40 C ATOM 1293 CG ASN A 83 -3.162 -9.288 8.386 1.00 0.82 C ATOM 1294 OD1 ASN A 83 -3.569 -10.280 7.781 1.00 1.63 O ATOM 1295 ND2 ASN A 83 -3.626 -8.937 9.579 1.00 0.96 N ATOM 0 H ASN A 83 -0.409 -9.493 5.881 1.00 0.23 H new ATOM 0 HA ASN A 83 -3.176 -8.431 5.943 1.00 0.28 H new ATOM 0 HB2 ASN A 83 -1.109 -8.747 8.114 1.00 0.40 H new ATOM 0 HB3 ASN A 83 -2.209 -7.384 8.170 1.00 0.40 H new ATOM 0 HD21 ASN A 83 -4.349 -9.498 10.030 1.00 0.96 H new ATOM 0 HD22 ASN A 83 -3.260 -8.107 10.045 1.00 0.96 H new ATOM 1302 N TYR A 84 -2.281 -6.355 4.906 1.00 0.33 N ATOM 1303 CA TYR A 84 -1.787 -5.105 4.342 1.00 0.40 C ATOM 1304 C TYR A 84 -2.666 -3.923 4.730 1.00 0.35 C ATOM 1305 O TYR A 84 -3.875 -3.929 4.507 1.00 0.44 O ATOM 1306 CB TYR A 84 -1.687 -5.218 2.820 1.00 0.57 C ATOM 1307 CG TYR A 84 -0.599 -6.166 2.371 1.00 1.17 C ATOM 1308 CD1 TYR A 84 -0.742 -7.539 2.519 1.00 1.96 C ATOM 1309 CD2 TYR A 84 0.565 -5.685 1.787 1.00 1.74 C ATOM 1310 CE1 TYR A 84 0.248 -8.407 2.099 1.00 2.76 C ATOM 1311 CE2 TYR A 84 1.557 -6.546 1.363 1.00 2.46 C ATOM 1312 CZ TYR A 84 1.406 -7.917 1.571 1.00 2.86 C ATOM 1313 OH TYR A 84 2.381 -8.767 1.097 1.00 3.72 O ATOM 0 H TYR A 84 -3.222 -6.614 4.610 1.00 0.33 H new ATOM 0 HA TYR A 84 -0.794 -4.924 4.754 1.00 0.40 H new ATOM 0 HB2 TYR A 84 -2.644 -5.556 2.422 1.00 0.57 H new ATOM 0 HB3 TYR A 84 -1.498 -4.230 2.399 1.00 0.57 H new ATOM 0 HD1 TYR A 84 -1.640 -7.935 2.969 1.00 1.96 H new ATOM 0 HD2 TYR A 84 0.696 -4.620 1.662 1.00 1.74 H new ATOM 0 HE1 TYR A 84 0.105 -9.474 2.189 1.00 2.76 H new ATOM 0 HE2 TYR A 84 2.441 -6.162 0.875 1.00 2.46 H new ATOM 0 HH TYR A 84 1.988 -9.645 0.912 1.00 3.72 H new ATOM 1323 N THR A 85 -2.036 -2.907 5.313 1.00 0.32 N ATOM 1324 CA THR A 85 -2.740 -1.706 5.736 1.00 0.33 C ATOM 1325 C THR A 85 -2.180 -0.472 5.032 1.00 0.29 C ATOM 1326 O THR A 85 -0.988 -0.176 5.129 1.00 0.31 O ATOM 1327 CB THR A 85 -2.641 -1.504 7.258 1.00 0.45 C ATOM 1328 OG1 THR A 85 -2.815 -2.757 7.932 1.00 1.14 O ATOM 1329 CG2 THR A 85 -3.691 -0.515 7.742 1.00 1.00 C ATOM 0 H THR A 85 -1.034 -2.894 5.503 1.00 0.32 H new ATOM 0 HA THR A 85 -3.787 -1.836 5.464 1.00 0.33 H new ATOM 0 HB THR A 85 -1.653 -1.103 7.485 1.00 0.45 H new ATOM 0 HG1 THR A 85 -2.749 -2.620 8.900 1.00 1.14 H new ATOM 0 HG21 THR A 85 -3.602 -0.388 8.821 1.00 1.00 H new ATOM 0 HG22 THR A 85 -3.540 0.446 7.250 1.00 1.00 H new ATOM 0 HG23 THR A 85 -4.685 -0.893 7.502 1.00 1.00 H new ATOM 1337 N CYS A 86 -3.048 0.237 4.321 1.00 0.30 N ATOM 1338 CA CYS A 86 -2.645 1.435 3.593 1.00 0.30 C ATOM 1339 C CYS A 86 -3.139 2.693 4.298 1.00 0.30 C ATOM 1340 O CYS A 86 -4.331 2.999 4.275 1.00 0.31 O ATOM 1341 CB CYS A 86 -3.192 1.393 2.165 1.00 0.36 C ATOM 1342 SG CYS A 86 -2.326 2.492 0.995 1.00 0.65 S ATOM 0 H CYS A 86 -4.037 0.003 4.233 1.00 0.30 H new ATOM 0 HA CYS A 86 -1.556 1.462 3.561 1.00 0.30 H new ATOM 0 HB2 CYS A 86 -3.132 0.369 1.796 1.00 0.36 H new ATOM 0 HB3 CYS A 86 -4.248 1.663 2.185 1.00 0.36 H new ATOM 1347 N VAL A 87 -2.216 3.424 4.915 1.00 0.29 N ATOM 1348 CA VAL A 87 -2.567 4.654 5.616 1.00 0.30 C ATOM 1349 C VAL A 87 -2.052 5.866 4.853 1.00 0.31 C ATOM 1350 O VAL A 87 -0.855 6.149 4.864 1.00 0.30 O ATOM 1351 CB VAL A 87 -1.989 4.676 7.045 1.00 0.33 C ATOM 1352 CG1 VAL A 87 -2.699 5.721 7.891 1.00 0.94 C ATOM 1353 CG2 VAL A 87 -2.091 3.300 7.685 1.00 0.97 C ATOM 0 H VAL A 87 -1.224 3.188 4.944 1.00 0.29 H new ATOM 0 HA VAL A 87 -3.655 4.691 5.679 1.00 0.30 H new ATOM 0 HB VAL A 87 -0.934 4.945 6.987 1.00 0.33 H new ATOM 0 HG11 VAL A 87 -2.278 5.722 8.896 1.00 0.94 H new ATOM 0 HG12 VAL A 87 -2.567 6.705 7.441 1.00 0.94 H new ATOM 0 HG13 VAL A 87 -3.762 5.486 7.943 1.00 0.94 H new ATOM 0 HG21 VAL A 87 -1.678 3.336 8.693 1.00 0.97 H new ATOM 0 HG22 VAL A 87 -3.137 2.997 7.732 1.00 0.97 H new ATOM 0 HG23 VAL A 87 -1.531 2.579 7.089 1.00 0.97 H new ATOM 1363 N VAL A 88 -2.952 6.576 4.180 1.00 0.32 N ATOM 1364 CA VAL A 88 -2.554 7.744 3.410 1.00 0.33 C ATOM 1365 C VAL A 88 -2.845 9.041 4.152 1.00 0.30 C ATOM 1366 O VAL A 88 -4.002 9.407 4.360 1.00 0.30 O ATOM 1367 CB VAL A 88 -3.265 7.786 2.045 1.00 0.36 C ATOM 1368 CG1 VAL A 88 -4.767 7.940 2.228 1.00 1.45 C ATOM 1369 CG2 VAL A 88 -2.707 8.913 1.188 1.00 1.50 C ATOM 0 H VAL A 88 -3.950 6.365 4.153 1.00 0.32 H new ATOM 0 HA VAL A 88 -1.478 7.655 3.259 1.00 0.33 H new ATOM 0 HB VAL A 88 -3.081 6.843 1.531 1.00 0.36 H new ATOM 0 HG11 VAL A 88 -5.252 7.968 1.252 1.00 1.45 H new ATOM 0 HG12 VAL A 88 -5.152 7.096 2.801 1.00 1.45 H new ATOM 0 HG13 VAL A 88 -4.975 8.867 2.763 1.00 1.45 H new ATOM 0 HG21 VAL A 88 -3.221 8.928 0.227 1.00 1.50 H new ATOM 0 HG22 VAL A 88 -2.859 9.866 1.696 1.00 1.50 H new ATOM 0 HG23 VAL A 88 -1.641 8.754 1.027 1.00 1.50 H new ATOM 1379 N GLU A 89 -1.783 9.736 4.546 1.00 0.32 N ATOM 1380 CA GLU A 89 -1.915 10.998 5.260 1.00 0.32 C ATOM 1381 C GLU A 89 -1.654 12.177 4.333 1.00 0.31 C ATOM 1382 O GLU A 89 -0.868 12.082 3.391 1.00 0.32 O ATOM 1383 CB GLU A 89 -0.961 11.047 6.453 1.00 0.37 C ATOM 1384 CG GLU A 89 -1.457 11.932 7.584 1.00 0.43 C ATOM 1385 CD GLU A 89 -0.537 13.106 7.853 1.00 0.83 C ATOM 1386 OE1 GLU A 89 -0.240 13.860 6.901 1.00 1.46 O ATOM 1387 OE2 GLU A 89 -0.109 13.273 9.016 1.00 1.33 O ATOM 0 H GLU A 89 -0.819 9.444 4.382 1.00 0.32 H new ATOM 0 HA GLU A 89 -2.939 11.068 5.628 1.00 0.32 H new ATOM 0 HB2 GLU A 89 -0.811 10.036 6.831 1.00 0.37 H new ATOM 0 HB3 GLU A 89 0.011 11.409 6.117 1.00 0.37 H new ATOM 0 HG2 GLU A 89 -2.452 12.304 7.340 1.00 0.43 H new ATOM 0 HG3 GLU A 89 -1.553 11.336 8.491 1.00 0.43 H new ATOM 1394 N ASN A 90 -2.306 13.296 4.616 1.00 0.33 N ATOM 1395 CA ASN A 90 -2.133 14.506 3.823 1.00 0.36 C ATOM 1396 C ASN A 90 -2.162 15.735 4.725 1.00 0.43 C ATOM 1397 O ASN A 90 -2.343 15.621 5.937 1.00 0.39 O ATOM 1398 CB ASN A 90 -3.210 14.610 2.736 1.00 0.37 C ATOM 1399 CG ASN A 90 -4.510 13.929 3.124 1.00 0.52 C ATOM 1400 OD1 ASN A 90 -4.632 12.707 3.037 1.00 1.54 O ATOM 1401 ND2 ASN A 90 -5.487 14.718 3.554 1.00 0.86 N ATOM 0 H ASN A 90 -2.962 13.391 5.391 1.00 0.33 H new ATOM 0 HA ASN A 90 -1.162 14.456 3.329 1.00 0.36 H new ATOM 0 HB2 ASN A 90 -3.406 15.661 2.525 1.00 0.37 H new ATOM 0 HB3 ASN A 90 -2.833 14.165 1.815 1.00 0.37 H new ATOM 0 HD21 ASN A 90 -6.383 14.316 3.829 1.00 0.86 H new ATOM 0 HD22 ASN A 90 -5.341 15.726 3.610 1.00 0.86 H new ATOM 1408 N GLU A 91 -1.989 16.906 4.130 1.00 0.57 N ATOM 1409 CA GLU A 91 -1.998 18.154 4.885 1.00 0.66 C ATOM 1410 C GLU A 91 -3.383 18.456 5.454 1.00 0.68 C ATOM 1411 O GLU A 91 -3.520 19.266 6.371 1.00 0.75 O ATOM 1412 CB GLU A 91 -1.551 19.313 3.992 1.00 0.76 C ATOM 1413 CG GLU A 91 -1.516 20.653 4.705 1.00 1.15 C ATOM 1414 CD GLU A 91 -0.816 21.724 3.892 1.00 1.72 C ATOM 1415 OE1 GLU A 91 0.431 21.784 3.938 1.00 2.24 O ATOM 1416 OE2 GLU A 91 -1.514 22.502 3.209 1.00 2.34 O ATOM 0 H GLU A 91 -1.841 17.020 3.127 1.00 0.57 H new ATOM 0 HA GLU A 91 -1.303 18.040 5.717 1.00 0.66 H new ATOM 0 HB2 GLU A 91 -0.558 19.095 3.598 1.00 0.76 H new ATOM 0 HB3 GLU A 91 -2.225 19.383 3.138 1.00 0.76 H new ATOM 0 HG2 GLU A 91 -2.535 20.973 4.921 1.00 1.15 H new ATOM 0 HG3 GLU A 91 -1.008 20.538 5.663 1.00 1.15 H new ATOM 1423 N TYR A 92 -4.412 17.827 4.891 1.00 0.64 N ATOM 1424 CA TYR A 92 -5.782 18.069 5.337 1.00 0.68 C ATOM 1425 C TYR A 92 -6.377 16.886 6.103 1.00 0.60 C ATOM 1426 O TYR A 92 -7.541 16.936 6.502 1.00 0.63 O ATOM 1427 CB TYR A 92 -6.670 18.403 4.139 1.00 0.75 C ATOM 1428 CG TYR A 92 -7.850 19.280 4.490 1.00 1.12 C ATOM 1429 CD1 TYR A 92 -9.027 18.729 4.979 1.00 1.54 C ATOM 1430 CD2 TYR A 92 -7.784 20.659 4.335 1.00 1.64 C ATOM 1431 CE1 TYR A 92 -10.109 19.527 5.302 1.00 2.05 C ATOM 1432 CE2 TYR A 92 -8.861 21.464 4.657 1.00 2.10 C ATOM 1433 CZ TYR A 92 -10.020 20.894 5.139 1.00 2.19 C ATOM 1434 OH TYR A 92 -11.093 21.692 5.460 1.00 2.77 O ATOM 0 H TYR A 92 -4.325 17.152 4.132 1.00 0.64 H new ATOM 0 HA TYR A 92 -5.744 18.913 6.026 1.00 0.68 H new ATOM 0 HB2 TYR A 92 -6.069 18.903 3.379 1.00 0.75 H new ATOM 0 HB3 TYR A 92 -7.035 17.476 3.697 1.00 0.75 H new ATOM 0 HD1 TYR A 92 -9.099 17.659 5.109 1.00 1.54 H new ATOM 0 HD2 TYR A 92 -6.878 21.109 3.957 1.00 1.64 H new ATOM 0 HE1 TYR A 92 -11.018 19.083 5.680 1.00 2.05 H new ATOM 0 HE2 TYR A 92 -8.795 22.535 4.531 1.00 2.10 H new ATOM 0 HH TYR A 92 -10.866 22.630 5.288 1.00 2.77 H new ATOM 1444 N GLY A 93 -5.597 15.833 6.320 1.00 0.52 N ATOM 1445 CA GLY A 93 -6.127 14.690 7.051 1.00 0.47 C ATOM 1446 C GLY A 93 -5.429 13.384 6.734 1.00 0.40 C ATOM 1447 O GLY A 93 -4.619 13.307 5.811 1.00 0.40 O ATOM 0 H GLY A 93 -4.628 15.747 6.012 1.00 0.52 H new ATOM 0 HA2 GLY A 93 -6.045 14.885 8.120 1.00 0.47 H new ATOM 0 HA3 GLY A 93 -7.189 14.588 6.826 1.00 0.47 H new ATOM 1451 N SER A 94 -5.758 12.351 7.508 1.00 0.38 N ATOM 1452 CA SER A 94 -5.176 11.029 7.318 1.00 0.34 C ATOM 1453 C SER A 94 -6.259 9.960 7.251 1.00 0.34 C ATOM 1454 O SER A 94 -7.236 10.005 7.996 1.00 0.38 O ATOM 1455 CB SER A 94 -4.191 10.712 8.445 1.00 0.35 C ATOM 1456 OG SER A 94 -4.838 10.045 9.516 1.00 1.04 O ATOM 0 H SER A 94 -6.428 12.408 8.275 1.00 0.38 H new ATOM 0 HA SER A 94 -4.638 11.031 6.370 1.00 0.34 H new ATOM 0 HB2 SER A 94 -3.382 10.090 8.061 1.00 0.35 H new ATOM 0 HB3 SER A 94 -3.739 11.635 8.808 1.00 0.35 H new ATOM 0 HG SER A 94 -4.187 9.852 10.222 1.00 1.04 H new ATOM 1462 N ILE A 95 -6.079 9.000 6.350 1.00 0.32 N ATOM 1463 CA ILE A 95 -7.044 7.919 6.182 1.00 0.34 C ATOM 1464 C ILE A 95 -6.370 6.561 6.367 1.00 0.31 C ATOM 1465 O ILE A 95 -5.166 6.423 6.159 1.00 0.29 O ATOM 1466 CB ILE A 95 -7.735 7.962 4.796 1.00 0.38 C ATOM 1467 CG1 ILE A 95 -7.662 9.374 4.186 1.00 0.41 C ATOM 1468 CG2 ILE A 95 -9.180 7.498 4.921 1.00 0.44 C ATOM 1469 CD1 ILE A 95 -8.583 9.581 2.998 1.00 0.47 C ATOM 0 H ILE A 95 -5.274 8.948 5.725 1.00 0.32 H new ATOM 0 HA ILE A 95 -7.808 8.059 6.947 1.00 0.34 H new ATOM 0 HB ILE A 95 -7.208 7.285 4.124 1.00 0.38 H new ATOM 0 HG12 ILE A 95 -7.909 10.105 4.956 1.00 0.41 H new ATOM 0 HG13 ILE A 95 -6.636 9.572 3.876 1.00 0.41 H new ATOM 0 HG21 ILE A 95 -9.659 7.531 3.942 1.00 0.44 H new ATOM 0 HG22 ILE A 95 -9.203 6.477 5.302 1.00 0.44 H new ATOM 0 HG23 ILE A 95 -9.714 8.153 5.609 1.00 0.44 H new ATOM 0 HD11 ILE A 95 -8.473 10.599 2.626 1.00 0.47 H new ATOM 0 HD12 ILE A 95 -8.323 8.876 2.209 1.00 0.47 H new ATOM 0 HD13 ILE A 95 -9.616 9.417 3.305 1.00 0.47 H new ATOM 1481 N ASN A 96 -7.152 5.564 6.770 1.00 0.34 N ATOM 1482 CA ASN A 96 -6.625 4.218 6.992 1.00 0.34 C ATOM 1483 C ASN A 96 -7.364 3.179 6.152 1.00 0.34 C ATOM 1484 O ASN A 96 -8.589 3.222 6.029 1.00 0.38 O ATOM 1485 CB ASN A 96 -6.722 3.850 8.475 1.00 0.38 C ATOM 1486 CG ASN A 96 -6.270 4.978 9.383 1.00 1.12 C ATOM 1487 OD1 ASN A 96 -5.213 4.897 10.012 1.00 2.04 O ATOM 1488 ND2 ASN A 96 -7.069 6.036 9.458 1.00 1.12 N ATOM 0 H ASN A 96 -8.151 5.661 6.950 1.00 0.34 H new ATOM 0 HA ASN A 96 -5.579 4.219 6.685 1.00 0.34 H new ATOM 0 HB2 ASN A 96 -7.752 3.586 8.714 1.00 0.38 H new ATOM 0 HB3 ASN A 96 -6.113 2.966 8.668 1.00 0.38 H new ATOM 0 HD21 ASN A 96 -6.817 6.824 10.054 1.00 1.12 H new ATOM 0 HD22 ASN A 96 -7.935 6.060 8.919 1.00 1.12 H new ATOM 1495 N HIS A 97 -6.610 2.243 5.581 1.00 0.32 N ATOM 1496 CA HIS A 97 -7.186 1.185 4.754 1.00 0.34 C ATOM 1497 C HIS A 97 -6.590 -0.176 5.120 1.00 0.33 C ATOM 1498 O HIS A 97 -5.370 -0.335 5.160 1.00 0.33 O ATOM 1499 CB HIS A 97 -6.942 1.477 3.272 1.00 0.36 C ATOM 1500 CG HIS A 97 -7.836 2.542 2.713 1.00 0.43 C ATOM 1501 ND1 HIS A 97 -7.385 3.798 2.368 1.00 1.25 N ATOM 1502 CD2 HIS A 97 -9.162 2.530 2.436 1.00 1.06 C ATOM 1503 CE1 HIS A 97 -8.395 4.513 1.904 1.00 1.06 C ATOM 1504 NE2 HIS A 97 -9.484 3.767 1.935 1.00 0.85 N ATOM 0 H HIS A 97 -5.596 2.195 5.676 1.00 0.32 H new ATOM 0 HA HIS A 97 -8.260 1.156 4.940 1.00 0.34 H new ATOM 0 HB2 HIS A 97 -5.903 1.779 3.136 1.00 0.36 H new ATOM 0 HB3 HIS A 97 -7.084 0.559 2.702 1.00 0.36 H new ATOM 0 HD2 HIS A 97 -9.840 1.702 2.582 1.00 1.06 H new ATOM 0 HE1 HIS A 97 -8.339 5.535 1.558 1.00 1.06 H new ATOM 0 HE2 HIS A 97 -10.413 4.062 1.635 1.00 0.85 H new ATOM 1513 N THR A 98 -7.454 -1.153 5.382 1.00 0.35 N ATOM 1514 CA THR A 98 -7.003 -2.496 5.742 1.00 0.35 C ATOM 1515 C THR A 98 -7.308 -3.500 4.633 1.00 0.35 C ATOM 1516 O THR A 98 -8.366 -3.445 4.007 1.00 0.36 O ATOM 1517 CB THR A 98 -7.665 -2.977 7.048 1.00 0.38 C ATOM 1518 OG1 THR A 98 -8.034 -1.852 7.854 1.00 1.33 O ATOM 1519 CG2 THR A 98 -6.722 -3.879 7.832 1.00 1.36 C ATOM 0 H THR A 98 -8.467 -1.042 5.352 1.00 0.35 H new ATOM 0 HA THR A 98 -5.924 -2.437 5.886 1.00 0.35 H new ATOM 0 HB THR A 98 -8.557 -3.547 6.788 1.00 0.38 H new ATOM 0 HG1 THR A 98 -8.455 -2.166 8.681 1.00 1.33 H new ATOM 0 HG21 THR A 98 -7.211 -4.206 8.750 1.00 1.36 H new ATOM 0 HG22 THR A 98 -6.465 -4.749 7.228 1.00 1.36 H new ATOM 0 HG23 THR A 98 -5.815 -3.328 8.081 1.00 1.36 H new ATOM 1527 N TYR A 99 -6.373 -4.418 4.393 1.00 0.39 N ATOM 1528 CA TYR A 99 -6.545 -5.433 3.358 1.00 0.42 C ATOM 1529 C TYR A 99 -6.281 -6.836 3.909 1.00 0.42 C ATOM 1530 O TYR A 99 -5.287 -7.060 4.601 1.00 0.45 O ATOM 1531 CB TYR A 99 -5.607 -5.152 2.182 1.00 0.53 C ATOM 1532 CG TYR A 99 -5.539 -3.695 1.787 1.00 0.57 C ATOM 1533 CD1 TYR A 99 -6.689 -2.919 1.712 1.00 0.73 C ATOM 1534 CD2 TYR A 99 -4.323 -3.096 1.483 1.00 0.85 C ATOM 1535 CE1 TYR A 99 -6.630 -1.590 1.346 1.00 0.81 C ATOM 1536 CE2 TYR A 99 -4.256 -1.765 1.117 1.00 0.96 C ATOM 1537 CZ TYR A 99 -5.412 -1.017 1.049 1.00 0.81 C ATOM 1538 OH TYR A 99 -5.348 0.308 0.683 1.00 0.96 O ATOM 0 H TYR A 99 -5.491 -4.479 4.901 1.00 0.39 H new ATOM 0 HA TYR A 99 -7.578 -5.390 3.014 1.00 0.42 H new ATOM 0 HB2 TYR A 99 -4.605 -5.496 2.439 1.00 0.53 H new ATOM 0 HB3 TYR A 99 -5.934 -5.737 1.322 1.00 0.53 H new ATOM 0 HD1 TYR A 99 -7.645 -3.364 1.944 1.00 0.73 H new ATOM 0 HD2 TYR A 99 -3.416 -3.680 1.533 1.00 0.85 H new ATOM 0 HE1 TYR A 99 -7.534 -1.001 1.292 1.00 0.81 H new ATOM 0 HE2 TYR A 99 -3.303 -1.313 0.885 1.00 0.96 H new ATOM 0 HH TYR A 99 -5.578 0.397 -0.265 1.00 0.96 H new ATOM 1548 N HIS A 100 -7.186 -7.772 3.620 1.00 0.41 N ATOM 1549 CA HIS A 100 -7.041 -9.131 4.118 1.00 0.44 C ATOM 1550 C HIS A 100 -6.506 -10.110 3.063 1.00 0.42 C ATOM 1551 O HIS A 100 -7.252 -10.649 2.250 1.00 0.45 O ATOM 1552 CB HIS A 100 -8.376 -9.638 4.666 1.00 0.53 C ATOM 1553 CG HIS A 100 -8.463 -9.595 6.160 1.00 0.82 C ATOM 1554 ND1 HIS A 100 -9.002 -8.531 6.851 1.00 1.39 N ATOM 1555 CD2 HIS A 100 -8.079 -10.494 7.099 1.00 1.62 C ATOM 1556 CE1 HIS A 100 -8.944 -8.774 8.147 1.00 1.53 C ATOM 1557 NE2 HIS A 100 -8.390 -9.959 8.325 1.00 1.70 N ATOM 0 H HIS A 100 -8.017 -7.612 3.050 1.00 0.41 H new ATOM 0 HA HIS A 100 -6.299 -9.090 4.916 1.00 0.44 H new ATOM 0 HB2 HIS A 100 -9.184 -9.039 4.246 1.00 0.53 H new ATOM 0 HB3 HIS A 100 -8.532 -10.663 4.330 1.00 0.53 H new ATOM 0 HD2 HIS A 100 -7.615 -11.452 6.917 1.00 1.62 H new ATOM 0 HE1 HIS A 100 -9.291 -8.115 8.929 1.00 1.53 H new ATOM 0 HE2 HIS A 100 -8.220 -10.405 9.227 1.00 1.70 H new ATOM 1566 N LEU A 101 -5.212 -10.387 3.126 1.00 0.44 N ATOM 1567 CA LEU A 101 -4.585 -11.329 2.205 1.00 0.45 C ATOM 1568 C LEU A 101 -4.380 -12.675 2.883 1.00 0.48 C ATOM 1569 O LEU A 101 -4.220 -12.741 4.102 1.00 0.53 O ATOM 1570 CB LEU A 101 -3.257 -10.776 1.687 1.00 0.51 C ATOM 1571 CG LEU A 101 -3.367 -9.465 0.904 1.00 1.07 C ATOM 1572 CD1 LEU A 101 -3.795 -8.329 1.819 1.00 1.90 C ATOM 1573 CD2 LEU A 101 -2.046 -9.137 0.224 1.00 1.63 C ATOM 0 H LEU A 101 -4.573 -9.973 3.805 1.00 0.44 H new ATOM 0 HA LEU A 101 -5.248 -11.470 1.352 1.00 0.45 H new ATOM 0 HB2 LEU A 101 -2.589 -10.621 2.534 1.00 0.51 H new ATOM 0 HB3 LEU A 101 -2.792 -11.526 1.048 1.00 0.51 H new ATOM 0 HG LEU A 101 -4.128 -9.588 0.134 1.00 1.07 H new ATOM 0 HD11 LEU A 101 -3.867 -7.406 1.244 1.00 1.90 H new ATOM 0 HD12 LEU A 101 -4.766 -8.561 2.257 1.00 1.90 H new ATOM 0 HD13 LEU A 101 -3.059 -8.205 2.613 1.00 1.90 H new ATOM 0 HD21 LEU A 101 -2.143 -8.202 -0.328 1.00 1.63 H new ATOM 0 HD22 LEU A 101 -1.265 -9.034 0.977 1.00 1.63 H new ATOM 0 HD23 LEU A 101 -1.782 -9.939 -0.465 1.00 1.63 H new ATOM 1585 N ASP A 102 -4.373 -13.754 2.103 1.00 0.50 N ATOM 1586 CA ASP A 102 -4.174 -15.085 2.662 1.00 0.57 C ATOM 1587 C ASP A 102 -2.932 -15.740 2.063 1.00 0.54 C ATOM 1588 O ASP A 102 -2.761 -15.766 0.844 1.00 0.53 O ATOM 1589 CB ASP A 102 -5.402 -15.960 2.402 1.00 0.65 C ATOM 1590 CG ASP A 102 -6.701 -15.224 2.655 1.00 1.31 C ATOM 1591 OD1 ASP A 102 -7.130 -14.454 1.770 1.00 2.34 O ATOM 1592 OD2 ASP A 102 -7.291 -15.417 3.738 1.00 1.38 O ATOM 0 H ASP A 102 -4.502 -13.732 1.091 1.00 0.50 H new ATOM 0 HA ASP A 102 -4.031 -14.985 3.738 1.00 0.57 H new ATOM 0 HB2 ASP A 102 -5.382 -16.312 1.370 1.00 0.65 H new ATOM 0 HB3 ASP A 102 -5.357 -16.842 3.040 1.00 0.65 H new ATOM 1597 N VAL A 103 -2.069 -16.264 2.926 1.00 0.63 N ATOM 1598 CA VAL A 103 -0.843 -16.917 2.480 1.00 0.68 C ATOM 1599 C VAL A 103 -1.115 -18.346 2.022 1.00 0.66 C ATOM 1600 O VAL A 103 -1.670 -19.152 2.768 1.00 0.75 O ATOM 1601 CB VAL A 103 0.221 -16.940 3.593 1.00 0.89 C ATOM 1602 CG1 VAL A 103 -0.282 -17.721 4.798 1.00 1.56 C ATOM 1603 CG2 VAL A 103 1.524 -17.529 3.074 1.00 1.60 C ATOM 0 H VAL A 103 -2.195 -16.250 3.938 1.00 0.63 H new ATOM 0 HA VAL A 103 -0.465 -16.335 1.640 1.00 0.68 H new ATOM 0 HB VAL A 103 0.412 -15.914 3.908 1.00 0.89 H new ATOM 0 HG11 VAL A 103 0.484 -17.726 5.574 1.00 1.56 H new ATOM 0 HG12 VAL A 103 -1.187 -17.251 5.184 1.00 1.56 H new ATOM 0 HG13 VAL A 103 -0.504 -18.746 4.501 1.00 1.56 H new ATOM 0 HG21 VAL A 103 2.264 -17.537 3.874 1.00 1.60 H new ATOM 0 HG22 VAL A 103 1.351 -18.549 2.730 1.00 1.60 H new ATOM 0 HG23 VAL A 103 1.892 -16.924 2.246 1.00 1.60 H new ATOM 1613 N VAL A 104 -0.718 -18.654 0.790 1.00 0.66 N ATOM 1614 CA VAL A 104 -0.919 -19.986 0.234 1.00 0.73 C ATOM 1615 C VAL A 104 0.369 -20.527 -0.379 1.00 0.83 C ATOM 1616 O VAL A 104 1.097 -19.803 -1.058 1.00 0.84 O ATOM 1617 CB VAL A 104 -2.022 -19.987 -0.842 1.00 0.86 C ATOM 1618 CG1 VAL A 104 -3.379 -19.703 -0.216 1.00 1.44 C ATOM 1619 CG2 VAL A 104 -1.706 -18.975 -1.932 1.00 1.27 C ATOM 0 H VAL A 104 -0.256 -17.999 0.159 1.00 0.66 H new ATOM 0 HA VAL A 104 -1.225 -20.628 1.060 1.00 0.73 H new ATOM 0 HB VAL A 104 -2.059 -20.976 -1.298 1.00 0.86 H new ATOM 0 HG11 VAL A 104 -4.145 -19.708 -0.991 1.00 1.44 H new ATOM 0 HG12 VAL A 104 -3.606 -20.471 0.524 1.00 1.44 H new ATOM 0 HG13 VAL A 104 -3.359 -18.727 0.269 1.00 1.44 H new ATOM 0 HG21 VAL A 104 -2.496 -18.990 -2.683 1.00 1.27 H new ATOM 0 HG22 VAL A 104 -1.640 -17.979 -1.495 1.00 1.27 H new ATOM 0 HG23 VAL A 104 -0.755 -19.230 -2.401 1.00 1.27 H new