USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 907 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 107 THR OG1 : rot 160:sc= -2.86! USER MOD Set 1.2: A 109 HIS : no HE2:sc= -14.9! C(o=-18!,f=-19!) USER MOD Set 2.1: A 69 THR OG1 : rot -79:sc= 1.25 USER MOD Set 2.2: A 71 SER OG : rot 150:sc= 1.29 USER MOD Set 2.3: A 73 GLN : amide:sc= 1.01 X(o=3.6,f=3.1) USER MOD Set 3.1: A 19 SER OG : rot 160:sc= 0 USER MOD Set 3.2: A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER N :NH3+ 147:sc= 0.0791 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0687 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS :FLIP no HE2:sc= -0.0887 F(o=-0.68,f=-0.089) USER MOD Single : A 15 ASN : amide:sc= -0.241 X(o=-0.24,f=-0.58) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -169:sc=-0.00234 USER MOD Single : A 26 THR OG1 : rot -41:sc= 1.19 USER MOD Single : A 28 THR OG1 : rot -101:sc= 0.844 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0116 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc=-0.00373 X(o=-0.0037,f=-0.13) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -6.25! C(o=-6.3!,f=-6.7!) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.0099) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 GLN : amide:sc= -1.2 K(o=-1.2,f=-2) USER MOD Single : A 96 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0751) USER MOD Single : A 99 THR OG1 : rot -43:sc= 0.0902 USER MOD Single : A 104 ASN :FLIP amide:sc= -4.24! F(o=-4.8,f=-4.2!) USER MOD Single : A 116 SER OG : rot 180:sc= -0.205 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -25.477 -6.358 0.385 1.00 0.00 N ATOM 2 CA SER A 1 -24.786 -5.127 -0.093 1.00 0.00 C ATOM 3 C SER A 1 -23.781 -4.664 0.966 1.00 0.00 C ATOM 4 O SER A 1 -24.151 -4.059 1.959 1.00 0.00 O ATOM 5 CB SER A 1 -25.820 -4.026 -0.336 1.00 0.00 C ATOM 6 OG SER A 1 -26.866 -4.535 -1.151 1.00 0.00 O ATOM 0 H1 SER A 1 -26.454 -6.369 0.028 1.00 0.00 H new ATOM 0 H2 SER A 1 -24.972 -7.197 0.036 1.00 0.00 H new ATOM 0 H3 SER A 1 -25.488 -6.368 1.425 1.00 0.00 H new ATOM 0 HA SER A 1 -24.259 -5.341 -1.023 1.00 0.00 H new ATOM 0 HB2 SER A 1 -26.222 -3.673 0.614 1.00 0.00 H new ATOM 0 HB3 SER A 1 -25.350 -3.170 -0.820 1.00 0.00 H new ATOM 0 HG SER A 1 -27.531 -3.832 -1.307 1.00 0.00 H new ATOM 14 N VAL A 2 -22.514 -4.956 0.754 1.00 0.00 N ATOM 15 CA VAL A 2 -21.452 -4.553 1.736 1.00 0.00 C ATOM 16 C VAL A 2 -20.872 -3.166 1.368 1.00 0.00 C ATOM 17 O VAL A 2 -19.705 -2.894 1.617 1.00 0.00 O ATOM 18 CB VAL A 2 -20.339 -5.608 1.720 1.00 0.00 C ATOM 19 CG1 VAL A 2 -20.892 -6.940 2.228 1.00 0.00 C ATOM 20 CG2 VAL A 2 -19.818 -5.785 0.291 1.00 0.00 C ATOM 0 H VAL A 2 -22.170 -5.460 -0.063 1.00 0.00 H new ATOM 0 HA VAL A 2 -21.887 -4.486 2.733 1.00 0.00 H new ATOM 0 HB VAL A 2 -19.523 -5.282 2.365 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -20.101 -7.690 2.217 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -21.260 -6.816 3.246 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -21.709 -7.264 1.583 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -19.027 -6.535 0.282 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -20.633 -6.109 -0.356 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -19.422 -4.836 -0.072 1.00 0.00 H new ATOM 30 N GLY A 3 -21.678 -2.283 0.789 1.00 0.00 N ATOM 31 CA GLY A 3 -21.182 -0.920 0.417 1.00 0.00 C ATOM 32 C GLY A 3 -21.381 0.030 1.599 1.00 0.00 C ATOM 33 O GLY A 3 -22.400 0.695 1.700 1.00 0.00 O ATOM 0 H GLY A 3 -22.657 -2.459 0.563 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -20.127 -0.966 0.146 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -21.720 -0.550 -0.456 1.00 0.00 H new ATOM 37 N THR A 4 -20.413 0.087 2.490 1.00 0.00 N ATOM 38 CA THR A 4 -20.516 0.982 3.685 1.00 0.00 C ATOM 39 C THR A 4 -19.203 0.912 4.492 1.00 0.00 C ATOM 40 O THR A 4 -19.118 0.237 5.511 1.00 0.00 O ATOM 41 CB THR A 4 -21.704 0.526 4.547 1.00 0.00 C ATOM 42 OG1 THR A 4 -21.737 1.287 5.746 1.00 0.00 O ATOM 43 CG2 THR A 4 -21.560 -0.960 4.888 1.00 0.00 C ATOM 0 H THR A 4 -19.550 -0.455 2.436 1.00 0.00 H new ATOM 0 HA THR A 4 -20.677 2.014 3.372 1.00 0.00 H new ATOM 0 HB THR A 4 -22.630 0.677 3.992 1.00 0.00 H new ATOM 0 HG1 THR A 4 -22.495 0.998 6.296 1.00 0.00 H new ATOM 0 HG21 THR A 4 -22.405 -1.277 5.499 1.00 0.00 H new ATOM 0 HG22 THR A 4 -21.538 -1.544 3.968 1.00 0.00 H new ATOM 0 HG23 THR A 4 -20.634 -1.118 5.440 1.00 0.00 H new ATOM 51 N SER A 5 -18.173 1.605 4.033 1.00 0.00 N ATOM 52 CA SER A 5 -16.854 1.592 4.746 1.00 0.00 C ATOM 53 C SER A 5 -16.303 0.164 4.778 1.00 0.00 C ATOM 54 O SER A 5 -16.948 -0.769 4.324 1.00 0.00 O ATOM 55 CB SER A 5 -17.041 2.101 6.180 1.00 0.00 C ATOM 56 OG SER A 5 -15.928 2.907 6.544 1.00 0.00 O ATOM 0 H SER A 5 -18.197 2.180 3.191 1.00 0.00 H new ATOM 0 HA SER A 5 -16.152 2.239 4.220 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.962 2.679 6.255 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.135 1.260 6.867 1.00 0.00 H new ATOM 0 HG SER A 5 -16.047 3.235 7.460 1.00 0.00 H new ATOM 62 N CYS A 6 -15.113 -0.003 5.317 1.00 0.00 N ATOM 63 CA CYS A 6 -14.486 -1.360 5.403 1.00 0.00 C ATOM 64 C CYS A 6 -14.335 -1.748 6.876 1.00 0.00 C ATOM 65 O CYS A 6 -14.395 -0.901 7.753 1.00 0.00 O ATOM 66 CB CYS A 6 -13.112 -1.335 4.727 1.00 0.00 C ATOM 67 SG CYS A 6 -13.243 -0.518 3.115 1.00 0.00 S ATOM 0 H CYS A 6 -14.547 0.753 5.704 1.00 0.00 H new ATOM 0 HA CYS A 6 -15.116 -2.091 4.897 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -12.395 -0.807 5.356 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -12.738 -2.351 4.602 1.00 0.00 H new ATOM 72 N ILE A 7 -14.148 -3.024 7.148 1.00 0.00 N ATOM 73 CA ILE A 7 -14.000 -3.498 8.562 1.00 0.00 C ATOM 74 C ILE A 7 -12.645 -4.222 8.726 1.00 0.00 C ATOM 75 O ILE A 7 -12.283 -5.003 7.864 1.00 0.00 O ATOM 76 CB ILE A 7 -15.142 -4.465 8.888 1.00 0.00 C ATOM 77 CG1 ILE A 7 -15.190 -5.576 7.829 1.00 0.00 C ATOM 78 CG2 ILE A 7 -16.468 -3.697 8.886 1.00 0.00 C ATOM 79 CD1 ILE A 7 -16.296 -6.578 8.172 1.00 0.00 C ATOM 0 H ILE A 7 -14.092 -3.759 6.443 1.00 0.00 H new ATOM 0 HA ILE A 7 -14.035 -2.646 9.241 1.00 0.00 H new ATOM 0 HB ILE A 7 -14.978 -4.909 9.870 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -15.371 -5.144 6.845 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -14.228 -6.086 7.781 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -17.285 -4.381 9.118 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -16.432 -2.907 9.636 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -16.632 -3.256 7.903 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -16.323 -7.363 7.416 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -16.096 -7.021 9.148 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -17.257 -6.065 8.197 1.00 0.00 H new ATOM 91 N PRO A 8 -11.920 -3.953 9.817 1.00 0.00 N ATOM 92 CA PRO A 8 -10.608 -4.590 10.063 1.00 0.00 C ATOM 93 C PRO A 8 -10.801 -5.991 10.665 1.00 0.00 C ATOM 94 O PRO A 8 -11.854 -6.295 11.198 1.00 0.00 O ATOM 95 CB PRO A 8 -9.935 -3.663 11.075 1.00 0.00 C ATOM 96 CG PRO A 8 -11.072 -2.895 11.788 1.00 0.00 C ATOM 97 CD PRO A 8 -12.318 -3.004 10.889 1.00 0.00 C ATOM 0 HA PRO A 8 -10.021 -4.719 9.153 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.344 -4.234 11.791 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.254 -2.973 10.577 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -11.268 -3.321 12.772 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.796 -1.852 11.941 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -13.179 -3.373 11.447 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.597 -2.034 10.477 1.00 0.00 H new ATOM 105 N GLY A 9 -9.787 -6.834 10.585 1.00 0.00 N ATOM 106 CA GLY A 9 -9.882 -8.223 11.149 1.00 0.00 C ATOM 107 C GLY A 9 -10.819 -9.103 10.297 1.00 0.00 C ATOM 108 O GLY A 9 -11.080 -10.241 10.650 1.00 0.00 O ATOM 0 H GLY A 9 -8.892 -6.613 10.149 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -8.890 -8.673 11.187 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.251 -8.179 12.174 1.00 0.00 H new ATOM 112 N MET A 10 -11.316 -8.590 9.185 1.00 0.00 N ATOM 113 CA MET A 10 -12.229 -9.381 8.298 1.00 0.00 C ATOM 114 C MET A 10 -11.858 -9.088 6.818 1.00 0.00 C ATOM 115 O MET A 10 -12.242 -8.053 6.302 1.00 0.00 O ATOM 116 CB MET A 10 -13.676 -8.942 8.560 1.00 0.00 C ATOM 117 CG MET A 10 -14.159 -9.532 9.888 1.00 0.00 C ATOM 118 SD MET A 10 -13.967 -8.301 11.203 1.00 0.00 S ATOM 119 CE MET A 10 -14.841 -9.209 12.503 1.00 0.00 C ATOM 0 H MET A 10 -11.121 -7.644 8.856 1.00 0.00 H new ATOM 0 HA MET A 10 -12.128 -10.447 8.500 1.00 0.00 H new ATOM 0 HB2 MET A 10 -13.737 -7.854 8.590 1.00 0.00 H new ATOM 0 HB3 MET A 10 -14.321 -9.275 7.747 1.00 0.00 H new ATOM 0 HG2 MET A 10 -15.204 -9.832 9.806 1.00 0.00 H new ATOM 0 HG3 MET A 10 -13.588 -10.429 10.129 1.00 0.00 H new ATOM 0 HE1 MET A 10 -14.842 -8.620 13.420 1.00 0.00 H new ATOM 0 HE2 MET A 10 -15.868 -9.394 12.190 1.00 0.00 H new ATOM 0 HE3 MET A 10 -14.339 -10.160 12.683 1.00 0.00 H new ATOM 129 N ALA A 11 -11.096 -9.968 6.141 1.00 0.00 N ATOM 130 CA ALA A 11 -10.665 -9.739 4.706 1.00 0.00 C ATOM 131 C ALA A 11 -9.368 -8.919 4.712 1.00 0.00 C ATOM 132 O ALA A 11 -8.354 -9.352 4.194 1.00 0.00 O ATOM 133 CB ALA A 11 -11.746 -9.013 3.885 1.00 0.00 C ATOM 0 H ALA A 11 -10.757 -10.843 6.541 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.505 -10.708 4.233 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.393 -8.871 2.864 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -12.657 -9.611 3.874 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.954 -8.042 4.335 1.00 0.00 H new ATOM 139 N ILE A 12 -9.401 -7.753 5.319 1.00 0.00 N ATOM 140 CA ILE A 12 -8.189 -6.877 5.420 1.00 0.00 C ATOM 141 C ILE A 12 -7.590 -7.070 6.834 1.00 0.00 C ATOM 142 O ILE A 12 -8.160 -6.556 7.782 1.00 0.00 O ATOM 143 CB ILE A 12 -8.591 -5.401 5.241 1.00 0.00 C ATOM 144 CG1 ILE A 12 -9.558 -5.256 4.058 1.00 0.00 C ATOM 145 CG2 ILE A 12 -7.337 -4.554 4.987 1.00 0.00 C ATOM 146 CD1 ILE A 12 -10.044 -3.805 3.963 1.00 0.00 C ATOM 0 H ILE A 12 -10.236 -7.365 5.758 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.467 -7.141 4.647 1.00 0.00 H new ATOM 0 HB ILE A 12 -9.087 -5.056 6.148 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.061 -5.545 3.132 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -10.408 -5.927 4.186 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.623 -3.510 4.860 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.659 -4.644 5.836 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -6.837 -4.905 4.084 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.730 -3.705 3.122 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.558 -3.532 4.885 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.190 -3.144 3.814 1.00 0.00 H new ATOM 158 N PRO A 13 -6.504 -7.837 6.976 1.00 0.00 N ATOM 159 CA PRO A 13 -5.923 -8.109 8.302 1.00 0.00 C ATOM 160 C PRO A 13 -5.070 -6.935 8.778 1.00 0.00 C ATOM 161 O PRO A 13 -4.911 -5.950 8.076 1.00 0.00 O ATOM 162 CB PRO A 13 -5.088 -9.370 8.095 1.00 0.00 C ATOM 163 CG PRO A 13 -4.782 -9.453 6.581 1.00 0.00 C ATOM 164 CD PRO A 13 -5.741 -8.473 5.872 1.00 0.00 C ATOM 0 HA PRO A 13 -6.681 -8.245 9.074 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -4.166 -9.324 8.675 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -5.631 -10.254 8.430 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.744 -9.188 6.382 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -4.928 -10.469 6.213 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -5.193 -7.732 5.290 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -6.403 -8.995 5.181 1.00 0.00 H new ATOM 172 N HIS A 14 -4.558 -7.031 9.983 1.00 0.00 N ATOM 173 CA HIS A 14 -3.751 -5.939 10.574 1.00 0.00 C ATOM 174 C HIS A 14 -2.261 -6.059 10.156 1.00 0.00 C ATOM 175 O HIS A 14 -1.721 -7.149 10.082 1.00 0.00 O ATOM 176 CB HIS A 14 -3.866 -6.063 12.098 1.00 0.00 C ATOM 177 CG HIS A 14 -5.319 -6.076 12.519 1.00 0.00 C ATOM 178 ND1 HIS A 14 -6.269 -7.065 12.486 1.00 0.00 N flip ATOM 179 CD2 HIS A 14 -5.947 -4.970 13.078 1.00 0.00 C flip ATOM 180 CE1 HIS A 14 -7.466 -6.589 13.016 1.00 0.00 C flip ATOM 181 NE2 HIS A 14 -7.219 -5.322 13.358 1.00 0.00 N flip ATOM 0 H HIS A 14 -4.674 -7.844 10.588 1.00 0.00 H new ATOM 0 HA HIS A 14 -4.117 -4.974 10.223 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -3.376 -6.977 12.433 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.350 -5.231 12.577 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -6.121 -8.008 12.127 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -5.498 -4.004 13.256 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -8.395 -7.129 13.127 1.00 0.00 H new ATOM 189 N ASN A 15 -1.596 -4.933 9.912 1.00 0.00 N ATOM 190 CA ASN A 15 -0.137 -4.916 9.531 1.00 0.00 C ATOM 191 C ASN A 15 0.131 -5.470 8.097 1.00 0.00 C ATOM 192 O ASN A 15 1.039 -6.273 7.918 1.00 0.00 O ATOM 193 CB ASN A 15 0.654 -5.727 10.574 1.00 0.00 C ATOM 194 CG ASN A 15 2.148 -5.427 10.433 1.00 0.00 C ATOM 195 OD1 ASN A 15 2.901 -6.246 9.943 1.00 0.00 O ATOM 196 ND2 ASN A 15 2.613 -4.279 10.844 1.00 0.00 N ATOM 0 H ASN A 15 -2.021 -4.007 9.964 1.00 0.00 H new ATOM 0 HA ASN A 15 0.191 -3.877 9.518 1.00 0.00 H new ATOM 0 HB2 ASN A 15 0.315 -5.474 11.579 1.00 0.00 H new ATOM 0 HB3 ASN A 15 0.472 -6.793 10.435 1.00 0.00 H new ATOM 0 HD21 ASN A 15 3.607 -4.070 10.754 1.00 0.00 H new ATOM 0 HD22 ASN A 15 1.982 -3.591 11.255 1.00 0.00 H new ATOM 203 N PRO A 16 -0.625 -5.018 7.091 1.00 0.00 N ATOM 204 CA PRO A 16 -0.414 -5.465 5.694 1.00 0.00 C ATOM 205 C PRO A 16 0.649 -4.604 4.984 1.00 0.00 C ATOM 206 O PRO A 16 1.118 -3.610 5.507 1.00 0.00 O ATOM 207 CB PRO A 16 -1.767 -5.213 5.029 1.00 0.00 C ATOM 208 CG PRO A 16 -2.458 -4.105 5.860 1.00 0.00 C ATOM 209 CD PRO A 16 -1.759 -4.068 7.231 1.00 0.00 C ATOM 0 HA PRO A 16 -0.073 -6.499 5.647 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.639 -4.900 3.993 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.369 -6.122 5.015 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.376 -3.140 5.359 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.521 -4.316 5.975 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.409 -3.064 7.472 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.435 -4.371 8.031 1.00 0.00 H new ATOM 217 N LEU A 17 0.970 -4.983 3.770 1.00 0.00 N ATOM 218 CA LEU A 17 1.945 -4.227 2.914 1.00 0.00 C ATOM 219 C LEU A 17 3.262 -3.899 3.652 1.00 0.00 C ATOM 220 O LEU A 17 3.784 -2.794 3.549 1.00 0.00 O ATOM 221 CB LEU A 17 1.268 -2.935 2.428 1.00 0.00 C ATOM 222 CG LEU A 17 0.618 -3.179 1.061 1.00 0.00 C ATOM 223 CD1 LEU A 17 -0.874 -3.463 1.244 1.00 0.00 C ATOM 224 CD2 LEU A 17 0.796 -1.940 0.180 1.00 0.00 C ATOM 0 H LEU A 17 0.584 -5.813 3.321 1.00 0.00 H new ATOM 0 HA LEU A 17 2.219 -4.860 2.070 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.515 -2.614 3.148 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.002 -2.133 2.355 1.00 0.00 H new ATOM 0 HG LEU A 17 1.094 -4.036 0.584 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.333 -3.636 0.271 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.002 -4.347 1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.351 -2.608 1.724 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.334 -2.115 -0.791 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.323 -1.082 0.658 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.859 -1.739 0.045 1.00 0.00 H new ATOM 236 N ASP A 18 3.826 -4.857 4.357 1.00 0.00 N ATOM 237 CA ASP A 18 5.136 -4.612 5.064 1.00 0.00 C ATOM 238 C ASP A 18 6.278 -4.672 4.035 1.00 0.00 C ATOM 239 O ASP A 18 7.187 -3.828 4.013 1.00 0.00 O ATOM 240 CB ASP A 18 5.351 -5.674 6.150 1.00 0.00 C ATOM 241 CG ASP A 18 5.221 -7.071 5.538 1.00 0.00 C ATOM 242 OD1 ASP A 18 6.224 -7.587 5.073 1.00 0.00 O ATOM 243 OD2 ASP A 18 4.122 -7.601 5.545 1.00 0.00 O ATOM 0 H ASP A 18 3.440 -5.794 4.475 1.00 0.00 H new ATOM 0 HA ASP A 18 5.120 -3.630 5.536 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.337 -5.554 6.600 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.619 -5.546 6.947 1.00 0.00 H new ATOM 248 N SER A 19 6.208 -5.648 3.159 1.00 0.00 N ATOM 249 CA SER A 19 7.229 -5.808 2.085 1.00 0.00 C ATOM 250 C SER A 19 7.221 -4.563 1.204 1.00 0.00 C ATOM 251 O SER A 19 8.202 -4.259 0.551 1.00 0.00 O ATOM 252 CB SER A 19 6.894 -7.037 1.239 1.00 0.00 C ATOM 253 OG SER A 19 8.097 -7.598 0.733 1.00 0.00 O ATOM 0 H SER A 19 5.470 -6.352 3.147 1.00 0.00 H new ATOM 0 HA SER A 19 8.215 -5.938 2.530 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.360 -7.773 1.841 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.235 -6.759 0.417 1.00 0.00 H new ATOM 0 HG SER A 19 7.940 -8.530 0.474 1.00 0.00 H new ATOM 259 N CYS A 20 6.105 -3.860 1.167 1.00 0.00 N ATOM 260 CA CYS A 20 5.986 -2.638 0.325 1.00 0.00 C ATOM 261 C CYS A 20 6.764 -1.494 0.968 1.00 0.00 C ATOM 262 O CYS A 20 7.353 -0.674 0.272 1.00 0.00 O ATOM 263 CB CYS A 20 4.509 -2.287 0.179 1.00 0.00 C ATOM 264 SG CYS A 20 3.609 -3.737 -0.453 1.00 0.00 S ATOM 0 H CYS A 20 5.265 -4.093 1.696 1.00 0.00 H new ATOM 0 HA CYS A 20 6.406 -2.815 -0.665 1.00 0.00 H new ATOM 0 HB2 CYS A 20 4.099 -1.981 1.141 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.389 -1.444 -0.502 1.00 0.00 H new ATOM 269 N ARG A 21 6.793 -1.445 2.288 1.00 0.00 N ATOM 270 CA ARG A 21 7.550 -0.363 2.982 1.00 0.00 C ATOM 271 C ARG A 21 9.065 -0.620 2.793 1.00 0.00 C ATOM 272 O ARG A 21 9.821 0.309 2.467 1.00 0.00 O ATOM 273 CB ARG A 21 7.137 -0.283 4.478 1.00 0.00 C ATOM 274 CG ARG A 21 8.119 0.596 5.265 1.00 0.00 C ATOM 275 CD ARG A 21 9.155 -0.288 5.959 1.00 0.00 C ATOM 276 NE ARG A 21 10.086 0.568 6.751 1.00 0.00 N ATOM 277 CZ ARG A 21 10.199 0.396 8.041 1.00 0.00 C ATOM 278 NH1 ARG A 21 9.145 0.125 8.761 1.00 0.00 N ATOM 279 NH2 ARG A 21 11.370 0.495 8.613 1.00 0.00 N ATOM 0 H ARG A 21 6.324 -2.109 2.904 1.00 0.00 H new ATOM 0 HA ARG A 21 7.313 0.608 2.548 1.00 0.00 H new ATOM 0 HB2 ARG A 21 6.129 0.124 4.561 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.112 -1.284 4.908 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.615 1.296 4.593 1.00 0.00 H new ATOM 0 HG3 ARG A 21 7.580 1.190 6.003 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.658 -1.005 6.612 1.00 0.00 H new ATOM 0 HD3 ARG A 21 9.712 -0.863 5.220 1.00 0.00 H new ATOM 0 HE ARG A 21 10.636 1.289 6.284 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.230 0.047 8.317 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.236 -0.009 9.768 1.00 0.00 H new ATOM 0 HH21 ARG A 21 12.195 0.707 8.052 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.459 0.361 9.620 1.00 0.00 H new ATOM 293 N TRP A 22 9.520 -1.866 2.941 1.00 0.00 N ATOM 294 CA TRP A 22 10.985 -2.132 2.727 1.00 0.00 C ATOM 295 C TRP A 22 11.309 -2.024 1.237 1.00 0.00 C ATOM 296 O TRP A 22 12.437 -1.722 0.861 1.00 0.00 O ATOM 297 CB TRP A 22 11.416 -3.509 3.239 1.00 0.00 C ATOM 298 CG TRP A 22 11.634 -3.417 4.699 1.00 0.00 C ATOM 299 CD1 TRP A 22 10.999 -4.123 5.634 1.00 0.00 C ATOM 300 CD2 TRP A 22 12.562 -2.564 5.381 1.00 0.00 C ATOM 301 NE1 TRP A 22 11.478 -3.746 6.883 1.00 0.00 N ATOM 302 CE2 TRP A 22 12.457 -2.774 6.767 1.00 0.00 C ATOM 303 CE3 TRP A 22 13.471 -1.636 4.905 1.00 0.00 C ATOM 304 CZ2 TRP A 22 13.251 -2.062 7.669 1.00 0.00 C ATOM 305 CZ3 TRP A 22 14.279 -0.910 5.795 1.00 0.00 C ATOM 306 CH2 TRP A 22 14.169 -1.124 7.180 1.00 0.00 C ATOM 0 H TRP A 22 8.954 -2.676 3.192 1.00 0.00 H new ATOM 0 HA TRP A 22 11.536 -1.385 3.298 1.00 0.00 H new ATOM 0 HB2 TRP A 22 10.651 -4.253 3.016 1.00 0.00 H new ATOM 0 HB3 TRP A 22 12.329 -3.831 2.739 1.00 0.00 H new ATOM 0 HD1 TRP A 22 10.237 -4.866 5.451 1.00 0.00 H new ATOM 0 HE1 TRP A 22 11.151 -4.134 7.768 1.00 0.00 H new ATOM 0 HE3 TRP A 22 13.560 -1.469 3.842 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 13.158 -2.233 8.731 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 14.985 -0.187 5.415 1.00 0.00 H new ATOM 0 HH2 TRP A 22 14.791 -0.567 7.865 1.00 0.00 H new ATOM 317 N TYR A 23 10.328 -2.269 0.393 1.00 0.00 N ATOM 318 CA TYR A 23 10.552 -2.195 -1.076 1.00 0.00 C ATOM 319 C TYR A 23 10.754 -0.744 -1.489 1.00 0.00 C ATOM 320 O TYR A 23 11.567 -0.476 -2.354 1.00 0.00 O ATOM 321 CB TYR A 23 9.379 -2.825 -1.827 1.00 0.00 C ATOM 322 CG TYR A 23 9.709 -2.969 -3.305 1.00 0.00 C ATOM 323 CD1 TYR A 23 10.970 -3.434 -3.723 1.00 0.00 C ATOM 324 CD2 TYR A 23 8.744 -2.632 -4.262 1.00 0.00 C ATOM 325 CE1 TYR A 23 11.256 -3.558 -5.087 1.00 0.00 C ATOM 326 CE2 TYR A 23 9.034 -2.757 -5.626 1.00 0.00 C ATOM 327 CZ TYR A 23 10.289 -3.218 -6.038 1.00 0.00 C ATOM 328 OH TYR A 23 10.573 -3.339 -7.383 1.00 0.00 O ATOM 0 H TYR A 23 9.378 -2.518 0.670 1.00 0.00 H new ATOM 0 HA TYR A 23 11.450 -2.757 -1.333 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.150 -3.803 -1.402 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.488 -2.209 -1.705 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.718 -3.696 -2.989 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.774 -2.275 -3.947 1.00 0.00 H new ATOM 0 HE1 TYR A 23 12.224 -3.916 -5.405 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.287 -2.497 -6.362 1.00 0.00 H new ATOM 0 HH TYR A 23 9.793 -3.063 -7.908 1.00 0.00 H new ATOM 338 N VAL A 24 10.069 0.206 -0.858 1.00 0.00 N ATOM 339 CA VAL A 24 10.313 1.636 -1.223 1.00 0.00 C ATOM 340 C VAL A 24 11.702 1.985 -0.712 1.00 0.00 C ATOM 341 O VAL A 24 12.434 2.697 -1.363 1.00 0.00 O ATOM 342 CB VAL A 24 9.302 2.596 -0.588 1.00 0.00 C ATOM 343 CG1 VAL A 24 9.636 4.039 -1.016 1.00 0.00 C ATOM 344 CG2 VAL A 24 7.887 2.234 -1.052 1.00 0.00 C ATOM 0 H VAL A 24 9.374 0.047 -0.129 1.00 0.00 H new ATOM 0 HA VAL A 24 10.215 1.744 -2.303 1.00 0.00 H new ATOM 0 HB VAL A 24 9.353 2.516 0.498 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.919 4.727 -0.567 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.642 4.294 -0.682 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.583 4.118 -2.102 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.169 2.918 -0.599 1.00 0.00 H new ATOM 0 HG22 VAL A 24 7.829 2.313 -2.138 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.655 1.213 -0.750 1.00 0.00 H new ATOM 354 N SER A 25 12.062 1.483 0.458 1.00 0.00 N ATOM 355 CA SER A 25 13.421 1.790 1.019 1.00 0.00 C ATOM 356 C SER A 25 14.518 1.348 0.027 1.00 0.00 C ATOM 357 O SER A 25 15.532 2.014 -0.118 1.00 0.00 O ATOM 358 CB SER A 25 13.629 1.052 2.343 1.00 0.00 C ATOM 359 OG SER A 25 12.398 0.987 3.055 1.00 0.00 O ATOM 0 H SER A 25 11.478 0.882 1.039 1.00 0.00 H new ATOM 0 HA SER A 25 13.485 2.865 1.186 1.00 0.00 H new ATOM 0 HB2 SER A 25 14.005 0.046 2.155 1.00 0.00 H new ATOM 0 HB3 SER A 25 14.380 1.566 2.943 1.00 0.00 H new ATOM 0 HG SER A 25 12.565 0.673 3.968 1.00 0.00 H new ATOM 365 N THR A 26 14.321 0.215 -0.630 1.00 0.00 N ATOM 366 CA THR A 26 15.351 -0.325 -1.594 1.00 0.00 C ATOM 367 C THR A 26 15.335 0.425 -2.942 1.00 0.00 C ATOM 368 O THR A 26 16.369 0.857 -3.415 1.00 0.00 O ATOM 369 CB THR A 26 15.082 -1.827 -1.817 1.00 0.00 C ATOM 370 OG1 THR A 26 15.211 -2.509 -0.578 1.00 0.00 O ATOM 371 CG2 THR A 26 16.076 -2.424 -2.827 1.00 0.00 C ATOM 0 H THR A 26 13.484 -0.361 -0.538 1.00 0.00 H new ATOM 0 HA THR A 26 16.340 -0.176 -1.160 1.00 0.00 H new ATOM 0 HB THR A 26 14.074 -1.944 -2.215 1.00 0.00 H new ATOM 0 HG1 THR A 26 15.982 -2.154 -0.088 1.00 0.00 H new ATOM 0 HG21 THR A 26 15.862 -3.484 -2.965 1.00 0.00 H new ATOM 0 HG22 THR A 26 15.979 -1.907 -3.782 1.00 0.00 H new ATOM 0 HG23 THR A 26 17.092 -2.304 -2.452 1.00 0.00 H new ATOM 379 N ARG A 27 14.190 0.555 -3.568 1.00 0.00 N ATOM 380 CA ARG A 27 14.107 1.253 -4.893 1.00 0.00 C ATOM 381 C ARG A 27 14.520 2.722 -4.748 1.00 0.00 C ATOM 382 O ARG A 27 14.911 3.356 -5.715 1.00 0.00 O ATOM 383 CB ARG A 27 12.673 1.181 -5.428 1.00 0.00 C ATOM 384 CG ARG A 27 12.649 1.632 -6.893 1.00 0.00 C ATOM 385 CD ARG A 27 12.692 0.410 -7.811 1.00 0.00 C ATOM 386 NE ARG A 27 12.575 0.851 -9.230 1.00 0.00 N ATOM 387 CZ ARG A 27 11.570 0.450 -9.959 1.00 0.00 C ATOM 388 NH1 ARG A 27 11.402 -0.822 -10.195 1.00 0.00 N ATOM 389 NH2 ARG A 27 10.734 1.322 -10.454 1.00 0.00 N ATOM 0 H ARG A 27 13.300 0.204 -3.215 1.00 0.00 H new ATOM 0 HA ARG A 27 14.784 0.759 -5.590 1.00 0.00 H new ATOM 0 HB2 ARG A 27 12.293 0.163 -5.344 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.019 1.816 -4.831 1.00 0.00 H new ATOM 0 HG2 ARG A 27 11.749 2.214 -7.089 1.00 0.00 H new ATOM 0 HG3 ARG A 27 13.500 2.282 -7.097 1.00 0.00 H new ATOM 0 HD2 ARG A 27 13.624 -0.136 -7.664 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.880 -0.273 -7.563 1.00 0.00 H new ATOM 0 HE ARG A 27 13.282 1.467 -9.632 1.00 0.00 H new ATOM 0 HH11 ARG A 27 12.056 -1.503 -9.810 1.00 0.00 H new ATOM 0 HH12 ARG A 27 10.616 -1.136 -10.765 1.00 0.00 H new ATOM 0 HH21 ARG A 27 10.867 2.317 -10.271 1.00 0.00 H new ATOM 0 HH22 ARG A 27 9.948 1.009 -11.024 1.00 0.00 H new ATOM 403 N THR A 28 14.386 3.270 -3.559 1.00 0.00 N ATOM 404 CA THR A 28 14.711 4.712 -3.330 1.00 0.00 C ATOM 405 C THR A 28 16.171 4.911 -2.859 1.00 0.00 C ATOM 406 O THR A 28 16.959 5.500 -3.581 1.00 0.00 O ATOM 407 CB THR A 28 13.700 5.283 -2.313 1.00 0.00 C ATOM 408 OG1 THR A 28 13.866 4.659 -1.051 1.00 0.00 O ATOM 409 CG2 THR A 28 12.282 5.028 -2.828 1.00 0.00 C ATOM 0 H THR A 28 14.061 2.771 -2.731 1.00 0.00 H new ATOM 0 HA THR A 28 14.628 5.253 -4.272 1.00 0.00 H new ATOM 0 HB THR A 28 13.870 6.354 -2.198 1.00 0.00 H new ATOM 0 HG1 THR A 28 13.170 3.981 -0.927 1.00 0.00 H new ATOM 0 HG21 THR A 28 11.559 5.428 -2.117 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.151 5.519 -3.792 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.124 3.956 -2.942 1.00 0.00 H new ATOM 417 N CYS A 29 16.542 4.451 -1.669 1.00 0.00 N ATOM 418 CA CYS A 29 17.957 4.649 -1.177 1.00 0.00 C ATOM 419 C CYS A 29 18.795 3.378 -1.353 1.00 0.00 C ATOM 420 O CYS A 29 19.884 3.277 -0.808 1.00 0.00 O ATOM 421 CB CYS A 29 17.954 5.019 0.308 1.00 0.00 C ATOM 422 SG CYS A 29 16.593 6.138 0.685 1.00 0.00 S ATOM 0 H CYS A 29 15.928 3.952 -1.025 1.00 0.00 H new ATOM 0 HA CYS A 29 18.395 5.452 -1.769 1.00 0.00 H new ATOM 0 HB2 CYS A 29 17.867 4.116 0.912 1.00 0.00 H new ATOM 0 HB3 CYS A 29 18.901 5.489 0.572 1.00 0.00 H new ATOM 427 N GLY A 30 18.295 2.413 -2.081 1.00 0.00 N ATOM 428 CA GLY A 30 19.049 1.126 -2.269 1.00 0.00 C ATOM 429 C GLY A 30 19.271 0.459 -0.898 1.00 0.00 C ATOM 430 O GLY A 30 20.210 -0.299 -0.721 1.00 0.00 O ATOM 0 H GLY A 30 17.394 2.456 -2.557 1.00 0.00 H new ATOM 0 HA2 GLY A 30 18.492 0.458 -2.925 1.00 0.00 H new ATOM 0 HA3 GLY A 30 20.007 1.320 -2.751 1.00 0.00 H new ATOM 434 N VAL A 31 18.411 0.745 0.067 1.00 0.00 N ATOM 435 CA VAL A 31 18.547 0.143 1.440 1.00 0.00 C ATOM 436 C VAL A 31 17.437 -0.894 1.655 1.00 0.00 C ATOM 437 O VAL A 31 16.466 -0.924 0.918 1.00 0.00 O ATOM 438 CB VAL A 31 18.433 1.253 2.491 1.00 0.00 C ATOM 439 CG1 VAL A 31 18.642 0.669 3.891 1.00 0.00 C ATOM 440 CG2 VAL A 31 19.501 2.315 2.221 1.00 0.00 C ATOM 0 H VAL A 31 17.616 1.375 -0.043 1.00 0.00 H new ATOM 0 HA VAL A 31 19.517 -0.346 1.534 1.00 0.00 H new ATOM 0 HB VAL A 31 17.441 1.702 2.434 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.560 1.464 4.633 1.00 0.00 H new ATOM 0 HG12 VAL A 31 17.884 -0.089 4.086 1.00 0.00 H new ATOM 0 HG13 VAL A 31 19.632 0.217 3.952 1.00 0.00 H new ATOM 0 HG21 VAL A 31 19.424 3.107 2.966 1.00 0.00 H new ATOM 0 HG22 VAL A 31 20.490 1.859 2.277 1.00 0.00 H new ATOM 0 HG23 VAL A 31 19.352 2.737 1.227 1.00 0.00 H new ATOM 450 N GLY A 32 17.585 -1.749 2.650 1.00 0.00 N ATOM 451 CA GLY A 32 16.554 -2.805 2.911 1.00 0.00 C ATOM 452 C GLY A 32 17.251 -4.188 2.942 1.00 0.00 C ATOM 453 O GLY A 32 18.459 -4.235 2.764 1.00 0.00 O ATOM 0 H GLY A 32 18.379 -1.757 3.291 1.00 0.00 H new ATOM 0 HA2 GLY A 32 16.051 -2.615 3.859 1.00 0.00 H new ATOM 0 HA3 GLY A 32 15.789 -2.785 2.135 1.00 0.00 H new ATOM 457 N PRO A 33 16.512 -5.292 3.149 1.00 0.00 N ATOM 458 CA PRO A 33 17.151 -6.633 3.166 1.00 0.00 C ATOM 459 C PRO A 33 17.726 -6.956 1.779 1.00 0.00 C ATOM 460 O PRO A 33 17.517 -6.210 0.835 1.00 0.00 O ATOM 461 CB PRO A 33 16.020 -7.583 3.588 1.00 0.00 C ATOM 462 CG PRO A 33 14.703 -6.848 3.284 1.00 0.00 C ATOM 463 CD PRO A 33 15.026 -5.345 3.368 1.00 0.00 C ATOM 0 HA PRO A 33 17.997 -6.712 3.849 1.00 0.00 H new ATOM 0 HB2 PRO A 33 16.076 -8.523 3.039 1.00 0.00 H new ATOM 0 HB3 PRO A 33 16.093 -7.828 4.648 1.00 0.00 H new ATOM 0 HG2 PRO A 33 14.328 -7.112 2.295 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.929 -7.121 4.001 1.00 0.00 H new ATOM 0 HD2 PRO A 33 14.488 -4.776 2.610 1.00 0.00 H new ATOM 0 HD3 PRO A 33 14.748 -4.928 4.336 1.00 0.00 H new ATOM 471 N ARG A 34 18.478 -8.037 1.658 1.00 0.00 N ATOM 472 CA ARG A 34 19.104 -8.389 0.346 1.00 0.00 C ATOM 473 C ARG A 34 18.194 -9.348 -0.428 1.00 0.00 C ATOM 474 O ARG A 34 18.357 -10.560 -0.398 1.00 0.00 O ATOM 475 CB ARG A 34 20.477 -9.035 0.588 1.00 0.00 C ATOM 476 CG ARG A 34 21.564 -7.960 0.516 1.00 0.00 C ATOM 477 CD ARG A 34 22.089 -7.857 -0.917 1.00 0.00 C ATOM 478 NE ARG A 34 23.127 -6.791 -0.991 1.00 0.00 N ATOM 479 CZ ARG A 34 22.795 -5.584 -1.358 1.00 0.00 C ATOM 480 NH1 ARG A 34 22.467 -5.345 -2.599 1.00 0.00 N ATOM 481 NH2 ARG A 34 22.787 -4.616 -0.484 1.00 0.00 N ATOM 0 H ARG A 34 18.681 -8.687 2.418 1.00 0.00 H new ATOM 0 HA ARG A 34 19.237 -7.483 -0.245 1.00 0.00 H new ATOM 0 HB2 ARG A 34 20.495 -9.522 1.563 1.00 0.00 H new ATOM 0 HB3 ARG A 34 20.664 -9.808 -0.158 1.00 0.00 H new ATOM 0 HG2 ARG A 34 21.161 -6.999 0.837 1.00 0.00 H new ATOM 0 HG3 ARG A 34 22.379 -8.207 1.196 1.00 0.00 H new ATOM 0 HD2 ARG A 34 22.510 -8.812 -1.231 1.00 0.00 H new ATOM 0 HD3 ARG A 34 21.270 -7.630 -1.600 1.00 0.00 H new ATOM 0 HE ARG A 34 24.096 -7.005 -0.755 1.00 0.00 H new ATOM 0 HH11 ARG A 34 22.470 -6.102 -3.282 1.00 0.00 H new ATOM 0 HH12 ARG A 34 22.208 -4.401 -2.885 1.00 0.00 H new ATOM 0 HH21 ARG A 34 23.040 -4.803 0.486 1.00 0.00 H new ATOM 0 HH22 ARG A 34 22.527 -3.672 -0.771 1.00 0.00 H new ATOM 495 N LEU A 35 17.241 -8.783 -1.131 1.00 0.00 N ATOM 496 CA LEU A 35 16.287 -9.590 -1.949 1.00 0.00 C ATOM 497 C LEU A 35 16.196 -8.968 -3.345 1.00 0.00 C ATOM 498 O LEU A 35 16.255 -7.756 -3.487 1.00 0.00 O ATOM 499 CB LEU A 35 14.901 -9.576 -1.286 1.00 0.00 C ATOM 500 CG LEU A 35 14.657 -10.884 -0.517 1.00 0.00 C ATOM 501 CD1 LEU A 35 14.725 -12.076 -1.476 1.00 0.00 C ATOM 502 CD2 LEU A 35 15.714 -11.047 0.581 1.00 0.00 C ATOM 0 H LEU A 35 17.083 -7.776 -1.171 1.00 0.00 H new ATOM 0 HA LEU A 35 16.635 -10.620 -2.022 1.00 0.00 H new ATOM 0 HB2 LEU A 35 14.826 -8.728 -0.605 1.00 0.00 H new ATOM 0 HB3 LEU A 35 14.130 -9.445 -2.045 1.00 0.00 H new ATOM 0 HG LEU A 35 13.667 -10.847 -0.062 1.00 0.00 H new ATOM 0 HD11 LEU A 35 14.551 -12.999 -0.922 1.00 0.00 H new ATOM 0 HD12 LEU A 35 13.963 -11.966 -2.247 1.00 0.00 H new ATOM 0 HD13 LEU A 35 15.710 -12.113 -1.942 1.00 0.00 H new ATOM 0 HD21 LEU A 35 15.536 -11.976 1.123 1.00 0.00 H new ATOM 0 HD22 LEU A 35 16.706 -11.075 0.130 1.00 0.00 H new ATOM 0 HD23 LEU A 35 15.653 -10.207 1.272 1.00 0.00 H new ATOM 514 N ALA A 36 16.062 -9.787 -4.370 1.00 0.00 N ATOM 515 CA ALA A 36 15.973 -9.256 -5.767 1.00 0.00 C ATOM 516 C ALA A 36 14.684 -8.423 -5.909 1.00 0.00 C ATOM 517 O ALA A 36 13.662 -8.779 -5.346 1.00 0.00 O ATOM 518 CB ALA A 36 15.941 -10.424 -6.758 1.00 0.00 C ATOM 0 H ALA A 36 16.011 -10.803 -4.294 1.00 0.00 H new ATOM 0 HA ALA A 36 16.840 -8.630 -5.978 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.876 -10.037 -7.775 1.00 0.00 H new ATOM 0 HB2 ALA A 36 16.850 -11.016 -6.652 1.00 0.00 H new ATOM 0 HB3 ALA A 36 15.074 -11.052 -6.553 1.00 0.00 H new ATOM 524 N THR A 37 14.721 -7.320 -6.649 1.00 0.00 N ATOM 525 CA THR A 37 13.501 -6.457 -6.824 1.00 0.00 C ATOM 526 C THR A 37 12.292 -7.295 -7.235 1.00 0.00 C ATOM 527 O THR A 37 11.294 -7.283 -6.557 1.00 0.00 O ATOM 528 CB THR A 37 13.758 -5.390 -7.899 1.00 0.00 C ATOM 529 OG1 THR A 37 14.652 -5.892 -8.885 1.00 0.00 O ATOM 530 CG2 THR A 37 14.359 -4.143 -7.248 1.00 0.00 C ATOM 0 H THR A 37 15.551 -6.986 -7.138 1.00 0.00 H new ATOM 0 HA THR A 37 13.292 -5.977 -5.868 1.00 0.00 H new ATOM 0 HB THR A 37 12.813 -5.133 -8.377 1.00 0.00 H new ATOM 0 HG1 THR A 37 14.807 -5.205 -9.566 1.00 0.00 H new ATOM 0 HG21 THR A 37 14.541 -3.386 -8.011 1.00 0.00 H new ATOM 0 HG22 THR A 37 13.665 -3.750 -6.505 1.00 0.00 H new ATOM 0 HG23 THR A 37 15.300 -4.403 -6.763 1.00 0.00 H new ATOM 538 N GLN A 38 12.371 -8.000 -8.344 1.00 0.00 N ATOM 539 CA GLN A 38 11.208 -8.830 -8.827 1.00 0.00 C ATOM 540 C GLN A 38 10.604 -9.669 -7.689 1.00 0.00 C ATOM 541 O GLN A 38 9.393 -9.792 -7.590 1.00 0.00 O ATOM 542 CB GLN A 38 11.679 -9.759 -9.954 1.00 0.00 C ATOM 543 CG GLN A 38 11.280 -9.175 -11.314 1.00 0.00 C ATOM 544 CD GLN A 38 10.789 -10.297 -12.234 1.00 0.00 C ATOM 545 OE1 GLN A 38 9.601 -10.462 -12.431 1.00 0.00 O ATOM 546 NE2 GLN A 38 11.661 -11.081 -12.809 1.00 0.00 N ATOM 0 H GLN A 38 13.197 -8.038 -8.941 1.00 0.00 H new ATOM 0 HA GLN A 38 10.436 -8.153 -9.194 1.00 0.00 H new ATOM 0 HB2 GLN A 38 12.761 -9.884 -9.906 1.00 0.00 H new ATOM 0 HB3 GLN A 38 11.238 -10.748 -9.830 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.496 -8.429 -11.184 1.00 0.00 H new ATOM 0 HG3 GLN A 38 12.132 -8.667 -11.766 1.00 0.00 H new ATOM 0 HE21 GLN A 38 12.658 -10.943 -12.644 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.345 -11.832 -13.423 1.00 0.00 H new ATOM 555 N GLU A 39 11.434 -10.236 -6.842 1.00 0.00 N ATOM 556 CA GLU A 39 10.919 -11.069 -5.707 1.00 0.00 C ATOM 557 C GLU A 39 10.077 -10.196 -4.773 1.00 0.00 C ATOM 558 O GLU A 39 8.983 -10.573 -4.375 1.00 0.00 O ATOM 559 CB GLU A 39 12.098 -11.654 -4.925 1.00 0.00 C ATOM 560 CG GLU A 39 12.897 -12.597 -5.827 1.00 0.00 C ATOM 561 CD GLU A 39 13.576 -13.667 -4.970 1.00 0.00 C ATOM 562 OE1 GLU A 39 12.886 -14.289 -4.178 1.00 0.00 O ATOM 563 OE2 GLU A 39 14.774 -13.845 -5.118 1.00 0.00 O ATOM 0 H GLU A 39 12.450 -10.157 -6.889 1.00 0.00 H new ATOM 0 HA GLU A 39 10.306 -11.878 -6.103 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.740 -10.852 -4.562 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.735 -12.193 -4.050 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.237 -13.065 -6.557 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.645 -12.035 -6.387 1.00 0.00 H new ATOM 570 N MET A 40 10.590 -9.036 -4.426 1.00 0.00 N ATOM 571 CA MET A 40 9.867 -8.101 -3.512 1.00 0.00 C ATOM 572 C MET A 40 8.523 -7.726 -4.127 1.00 0.00 C ATOM 573 O MET A 40 7.473 -7.936 -3.535 1.00 0.00 O ATOM 574 CB MET A 40 10.705 -6.844 -3.351 1.00 0.00 C ATOM 575 CG MET A 40 10.309 -6.127 -2.065 1.00 0.00 C ATOM 576 SD MET A 40 11.799 -5.624 -1.168 1.00 0.00 S ATOM 577 CE MET A 40 11.604 -6.731 0.251 1.00 0.00 C ATOM 0 H MET A 40 11.497 -8.696 -4.746 1.00 0.00 H new ATOM 0 HA MET A 40 9.703 -8.577 -2.545 1.00 0.00 H new ATOM 0 HB2 MET A 40 11.764 -7.102 -3.325 1.00 0.00 H new ATOM 0 HB3 MET A 40 10.559 -6.185 -4.207 1.00 0.00 H new ATOM 0 HG2 MET A 40 9.699 -5.254 -2.296 1.00 0.00 H new ATOM 0 HG3 MET A 40 9.702 -6.784 -1.442 1.00 0.00 H new ATOM 0 HE1 MET A 40 12.432 -6.583 0.944 1.00 0.00 H new ATOM 0 HE2 MET A 40 10.664 -6.512 0.757 1.00 0.00 H new ATOM 0 HE3 MET A 40 11.599 -7.765 -0.093 1.00 0.00 H new ATOM 587 N LYS A 41 8.561 -7.170 -5.318 1.00 0.00 N ATOM 588 CA LYS A 41 7.304 -6.766 -6.032 1.00 0.00 C ATOM 589 C LYS A 41 6.338 -7.957 -6.064 1.00 0.00 C ATOM 590 O LYS A 41 5.132 -7.784 -6.059 1.00 0.00 O ATOM 591 CB LYS A 41 7.634 -6.343 -7.465 1.00 0.00 C ATOM 592 CG LYS A 41 6.369 -5.813 -8.146 1.00 0.00 C ATOM 593 CD LYS A 41 6.537 -5.882 -9.665 1.00 0.00 C ATOM 594 CE LYS A 41 5.160 -5.981 -10.328 1.00 0.00 C ATOM 595 NZ LYS A 41 5.300 -5.763 -11.796 1.00 0.00 N ATOM 0 H LYS A 41 9.421 -6.977 -5.832 1.00 0.00 H new ATOM 0 HA LYS A 41 6.843 -5.929 -5.508 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.406 -5.574 -7.460 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.032 -7.190 -8.023 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.504 -6.401 -7.838 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.181 -4.785 -7.837 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.062 -4.997 -10.024 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.145 -6.745 -9.935 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.721 -6.960 -10.135 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.485 -5.239 -9.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.366 -5.830 -12.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.702 -4.820 -11.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.930 -6.487 -12.196 1.00 0.00 H new ATOM 609 N ALA A 42 6.880 -9.160 -6.080 1.00 0.00 N ATOM 610 CA ALA A 42 6.032 -10.389 -6.092 1.00 0.00 C ATOM 611 C ALA A 42 5.276 -10.465 -4.766 1.00 0.00 C ATOM 612 O ALA A 42 4.080 -10.707 -4.735 1.00 0.00 O ATOM 613 CB ALA A 42 6.920 -11.626 -6.246 1.00 0.00 C ATOM 0 H ALA A 42 7.885 -9.336 -6.085 1.00 0.00 H new ATOM 0 HA ALA A 42 5.330 -10.351 -6.925 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.298 -12.521 -6.254 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.475 -11.561 -7.182 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.620 -11.678 -5.412 1.00 0.00 H new ATOM 619 N ARG A 43 5.981 -10.247 -3.674 1.00 0.00 N ATOM 620 CA ARG A 43 5.348 -10.284 -2.315 1.00 0.00 C ATOM 621 C ARG A 43 4.215 -9.263 -2.247 1.00 0.00 C ATOM 622 O ARG A 43 3.071 -9.608 -1.994 1.00 0.00 O ATOM 623 CB ARG A 43 6.388 -9.924 -1.241 1.00 0.00 C ATOM 624 CG ARG A 43 7.643 -10.796 -1.379 1.00 0.00 C ATOM 625 CD ARG A 43 7.254 -12.270 -1.327 1.00 0.00 C ATOM 626 NE ARG A 43 8.390 -13.069 -0.784 1.00 0.00 N ATOM 627 CZ ARG A 43 8.991 -13.944 -1.540 1.00 0.00 C ATOM 628 NH1 ARG A 43 9.888 -13.555 -2.404 1.00 0.00 N ATOM 629 NH2 ARG A 43 8.695 -15.211 -1.433 1.00 0.00 N ATOM 0 H ARG A 43 6.980 -10.043 -3.670 1.00 0.00 H new ATOM 0 HA ARG A 43 4.962 -11.288 -2.138 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.660 -8.872 -1.330 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.954 -10.058 -0.250 1.00 0.00 H new ATOM 0 HG2 ARG A 43 8.148 -10.576 -2.319 1.00 0.00 H new ATOM 0 HG3 ARG A 43 8.346 -10.567 -0.578 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.372 -12.402 -0.701 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.992 -12.623 -2.325 1.00 0.00 H new ATOM 0 HE ARG A 43 8.697 -12.931 0.179 1.00 0.00 H new ATOM 0 HH11 ARG A 43 10.119 -12.565 -2.488 1.00 0.00 H new ATOM 0 HH12 ARG A 43 10.358 -14.241 -2.995 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.994 -15.516 -0.758 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.165 -15.896 -2.024 1.00 0.00 H new ATOM 643 N CYS A 44 4.547 -8.008 -2.444 1.00 0.00 N ATOM 644 CA CYS A 44 3.523 -6.911 -2.373 1.00 0.00 C ATOM 645 C CYS A 44 2.340 -7.173 -3.301 1.00 0.00 C ATOM 646 O CYS A 44 1.240 -6.760 -3.002 1.00 0.00 O ATOM 647 CB CYS A 44 4.120 -5.586 -2.786 1.00 0.00 C ATOM 648 SG CYS A 44 4.997 -4.892 -1.387 1.00 0.00 S ATOM 0 H CYS A 44 5.494 -7.692 -2.653 1.00 0.00 H new ATOM 0 HA CYS A 44 3.186 -6.883 -1.337 1.00 0.00 H new ATOM 0 HB2 CYS A 44 4.799 -5.723 -3.628 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.336 -4.905 -3.117 1.00 0.00 H new ATOM 653 N CYS A 45 2.564 -7.811 -4.435 1.00 0.00 N ATOM 654 CA CYS A 45 1.442 -8.063 -5.397 1.00 0.00 C ATOM 655 C CYS A 45 0.567 -9.193 -4.868 1.00 0.00 C ATOM 656 O CYS A 45 -0.631 -9.211 -5.103 1.00 0.00 O ATOM 657 CB CYS A 45 2.001 -8.422 -6.778 1.00 0.00 C ATOM 658 SG CYS A 45 2.508 -6.927 -7.689 1.00 0.00 S ATOM 0 H CYS A 45 3.474 -8.165 -4.731 1.00 0.00 H new ATOM 0 HA CYS A 45 0.839 -7.160 -5.495 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.855 -9.090 -6.666 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.247 -8.962 -7.350 1.00 0.00 H new ATOM 663 N ARG A 46 1.156 -10.119 -4.139 1.00 0.00 N ATOM 664 CA ARG A 46 0.367 -11.246 -3.560 1.00 0.00 C ATOM 665 C ARG A 46 -0.500 -10.691 -2.439 1.00 0.00 C ATOM 666 O ARG A 46 -1.610 -11.146 -2.223 1.00 0.00 O ATOM 667 CB ARG A 46 1.316 -12.303 -2.997 1.00 0.00 C ATOM 668 CG ARG A 46 0.586 -13.646 -2.898 1.00 0.00 C ATOM 669 CD ARG A 46 -0.120 -13.756 -1.541 1.00 0.00 C ATOM 670 NE ARG A 46 0.329 -14.997 -0.850 1.00 0.00 N ATOM 671 CZ ARG A 46 0.723 -14.946 0.393 1.00 0.00 C ATOM 672 NH1 ARG A 46 0.035 -14.263 1.267 1.00 0.00 N ATOM 673 NH2 ARG A 46 1.803 -15.576 0.762 1.00 0.00 N ATOM 0 H ARG A 46 2.153 -10.137 -3.923 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.255 -11.705 -4.329 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.192 -12.400 -3.639 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.674 -11.998 -2.014 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.142 -13.735 -3.705 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.295 -14.465 -3.017 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.107 -12.883 -0.929 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.201 -13.775 -1.681 1.00 0.00 H new ATOM 0 HE ARG A 46 0.328 -15.887 -1.349 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.810 -13.770 0.978 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.342 -14.223 2.239 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.341 -16.109 0.079 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.110 -15.536 1.734 1.00 0.00 H new ATOM 687 N GLN A 47 0.008 -9.700 -1.732 1.00 0.00 N ATOM 688 CA GLN A 47 -0.768 -9.075 -0.615 1.00 0.00 C ATOM 689 C GLN A 47 -1.803 -8.095 -1.185 1.00 0.00 C ATOM 690 O GLN A 47 -2.859 -7.888 -0.610 1.00 0.00 O ATOM 691 CB GLN A 47 0.197 -8.319 0.301 1.00 0.00 C ATOM 692 CG GLN A 47 1.307 -9.264 0.784 1.00 0.00 C ATOM 693 CD GLN A 47 1.500 -9.111 2.297 1.00 0.00 C ATOM 694 OE1 GLN A 47 0.565 -9.266 3.057 1.00 0.00 O ATOM 695 NE2 GLN A 47 2.681 -8.813 2.767 1.00 0.00 N ATOM 0 H GLN A 47 0.933 -9.299 -1.886 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.284 -9.852 -0.051 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.633 -7.475 -0.233 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.343 -7.911 1.156 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.049 -10.295 0.544 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.239 -9.040 0.265 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.466 -8.683 2.129 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.819 -8.710 3.772 1.00 0.00 H new ATOM 704 N LEU A 48 -1.480 -7.485 -2.305 1.00 0.00 N ATOM 705 CA LEU A 48 -2.380 -6.487 -2.950 1.00 0.00 C ATOM 706 C LEU A 48 -3.621 -7.227 -3.457 1.00 0.00 C ATOM 707 O LEU A 48 -4.736 -6.779 -3.240 1.00 0.00 O ATOM 708 CB LEU A 48 -1.584 -5.810 -4.100 1.00 0.00 C ATOM 709 CG LEU A 48 -2.123 -4.414 -4.476 1.00 0.00 C ATOM 710 CD1 LEU A 48 -3.472 -4.517 -5.193 1.00 0.00 C ATOM 711 CD2 LEU A 48 -2.238 -3.524 -3.227 1.00 0.00 C ATOM 0 H LEU A 48 -0.606 -7.646 -2.806 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.711 -5.711 -2.259 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.538 -5.721 -3.805 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.613 -6.452 -4.980 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.413 -3.954 -5.163 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.827 -3.518 -5.446 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.355 -5.102 -6.105 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.195 -5.004 -4.539 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.620 -2.544 -3.513 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.920 -3.985 -2.513 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.255 -3.411 -2.769 1.00 0.00 H new ATOM 723 N GLU A 49 -3.444 -8.370 -4.094 1.00 0.00 N ATOM 724 CA GLU A 49 -4.623 -9.152 -4.573 1.00 0.00 C ATOM 725 C GLU A 49 -5.238 -9.900 -3.379 1.00 0.00 C ATOM 726 O GLU A 49 -6.431 -10.153 -3.352 1.00 0.00 O ATOM 727 CB GLU A 49 -4.191 -10.148 -5.652 1.00 0.00 C ATOM 728 CG GLU A 49 -5.333 -10.341 -6.652 1.00 0.00 C ATOM 729 CD GLU A 49 -4.924 -11.374 -7.706 1.00 0.00 C ATOM 730 OE1 GLU A 49 -4.261 -10.990 -8.655 1.00 0.00 O ATOM 731 OE2 GLU A 49 -5.282 -12.528 -7.545 1.00 0.00 O ATOM 0 H GLU A 49 -2.536 -8.787 -4.298 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.362 -8.477 -5.005 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.302 -9.782 -6.165 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.926 -11.102 -5.197 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.232 -10.673 -6.133 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.574 -9.392 -7.132 1.00 0.00 H new ATOM 738 N ALA A 50 -4.429 -10.232 -2.376 1.00 0.00 N ATOM 739 CA ALA A 50 -4.948 -10.939 -1.154 1.00 0.00 C ATOM 740 C ALA A 50 -6.074 -10.091 -0.571 1.00 0.00 C ATOM 741 O ALA A 50 -7.140 -10.585 -0.252 1.00 0.00 O ATOM 742 CB ALA A 50 -3.826 -11.086 -0.124 1.00 0.00 C ATOM 0 H ALA A 50 -3.428 -10.038 -2.361 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.312 -11.933 -1.414 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.208 -11.599 0.759 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.010 -11.665 -0.555 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.460 -10.099 0.159 1.00 0.00 H new ATOM 748 N ILE A 51 -5.838 -8.801 -0.506 1.00 0.00 N ATOM 749 CA ILE A 51 -6.878 -7.845 -0.031 1.00 0.00 C ATOM 750 C ILE A 51 -7.814 -7.621 -1.231 1.00 0.00 C ATOM 751 O ILE A 51 -7.393 -7.005 -2.190 1.00 0.00 O ATOM 752 CB ILE A 51 -6.234 -6.523 0.402 1.00 0.00 C ATOM 753 CG1 ILE A 51 -5.097 -6.800 1.400 1.00 0.00 C ATOM 754 CG2 ILE A 51 -7.289 -5.631 1.061 1.00 0.00 C ATOM 755 CD1 ILE A 51 -5.632 -7.522 2.643 1.00 0.00 C ATOM 0 H ILE A 51 -4.952 -8.368 -0.768 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.417 -8.233 0.833 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.827 -6.018 -0.474 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.328 -7.407 0.923 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.626 -5.861 1.693 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.830 -4.691 1.369 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.090 -5.428 0.350 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.699 -6.137 1.935 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.812 -7.709 3.336 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.384 -6.901 3.129 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.081 -8.471 2.348 1.00 0.00 H new ATOM 767 N PRO A 52 -9.020 -8.187 -1.209 1.00 0.00 N ATOM 768 CA PRO A 52 -9.938 -8.101 -2.368 1.00 0.00 C ATOM 769 C PRO A 52 -10.174 -6.653 -2.791 1.00 0.00 C ATOM 770 O PRO A 52 -10.177 -5.749 -1.981 1.00 0.00 O ATOM 771 CB PRO A 52 -11.201 -8.837 -1.904 1.00 0.00 C ATOM 772 CG PRO A 52 -11.123 -8.881 -0.365 1.00 0.00 C ATOM 773 CD PRO A 52 -9.617 -8.870 -0.035 1.00 0.00 C ATOM 0 HA PRO A 52 -9.537 -8.560 -3.272 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.100 -8.317 -2.235 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.243 -9.843 -2.322 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.630 -8.024 0.079 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.606 -9.776 0.028 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.411 -8.333 0.891 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.224 -9.879 0.087 1.00 0.00 H new ATOM 781 N ALA A 53 -10.311 -6.459 -4.091 1.00 0.00 N ATOM 782 CA ALA A 53 -10.492 -5.101 -4.716 1.00 0.00 C ATOM 783 C ALA A 53 -11.266 -4.116 -3.827 1.00 0.00 C ATOM 784 O ALA A 53 -11.006 -2.924 -3.865 1.00 0.00 O ATOM 785 CB ALA A 53 -11.223 -5.265 -6.043 1.00 0.00 C ATOM 0 H ALA A 53 -10.304 -7.221 -4.769 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.498 -4.677 -4.858 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.360 -4.288 -6.506 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.636 -5.901 -6.706 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.196 -5.724 -5.868 1.00 0.00 H new ATOM 791 N TYR A 54 -12.199 -4.595 -3.034 1.00 0.00 N ATOM 792 CA TYR A 54 -12.971 -3.679 -2.138 1.00 0.00 C ATOM 793 C TYR A 54 -12.002 -3.036 -1.135 1.00 0.00 C ATOM 794 O TYR A 54 -11.288 -3.730 -0.434 1.00 0.00 O ATOM 795 CB TYR A 54 -14.041 -4.479 -1.388 1.00 0.00 C ATOM 796 CG TYR A 54 -15.354 -4.390 -2.134 1.00 0.00 C ATOM 797 CD1 TYR A 54 -15.623 -5.271 -3.188 1.00 0.00 C ATOM 798 CD2 TYR A 54 -16.302 -3.426 -1.769 1.00 0.00 C ATOM 799 CE1 TYR A 54 -16.839 -5.188 -3.878 1.00 0.00 C ATOM 800 CE2 TYR A 54 -17.518 -3.344 -2.457 1.00 0.00 C ATOM 801 CZ TYR A 54 -17.787 -4.225 -3.512 1.00 0.00 C ATOM 802 OH TYR A 54 -18.986 -4.144 -4.191 1.00 0.00 O ATOM 0 H TYR A 54 -12.457 -5.580 -2.971 1.00 0.00 H new ATOM 0 HA TYR A 54 -13.458 -2.902 -2.728 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -13.733 -5.521 -1.296 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -14.158 -4.090 -0.376 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -14.893 -6.015 -3.469 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -16.095 -2.746 -0.956 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -17.045 -5.867 -4.692 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -18.249 -2.601 -2.174 1.00 0.00 H new ATOM 0 HH TYR A 54 -19.530 -3.423 -3.810 1.00 0.00 H new ATOM 812 N CYS A 55 -11.983 -1.713 -1.070 1.00 0.00 N ATOM 813 CA CYS A 55 -11.078 -0.963 -0.115 1.00 0.00 C ATOM 814 C CYS A 55 -9.611 -0.912 -0.626 1.00 0.00 C ATOM 815 O CYS A 55 -8.714 -0.624 0.154 1.00 0.00 O ATOM 816 CB CYS A 55 -11.099 -1.618 1.279 1.00 0.00 C ATOM 817 SG CYS A 55 -12.808 -1.967 1.772 1.00 0.00 S ATOM 0 H CYS A 55 -12.568 -1.111 -1.650 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.460 0.056 -0.053 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -10.520 -2.541 1.265 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -10.629 -0.958 2.008 1.00 0.00 H new ATOM 822 N ARG A 56 -9.343 -1.176 -1.913 1.00 0.00 N ATOM 823 CA ARG A 56 -7.920 -1.125 -2.434 1.00 0.00 C ATOM 824 C ARG A 56 -7.235 0.186 -1.986 1.00 0.00 C ATOM 825 O ARG A 56 -6.601 0.212 -0.947 1.00 0.00 O ATOM 826 CB ARG A 56 -7.916 -1.219 -3.969 1.00 0.00 C ATOM 827 CG ARG A 56 -8.330 -2.625 -4.412 1.00 0.00 C ATOM 828 CD ARG A 56 -7.100 -3.441 -4.833 1.00 0.00 C ATOM 829 NE ARG A 56 -6.953 -4.623 -3.932 1.00 0.00 N ATOM 830 CZ ARG A 56 -6.668 -4.439 -2.666 1.00 0.00 C ATOM 831 NH1 ARG A 56 -7.621 -4.251 -1.797 1.00 0.00 N ATOM 832 NH2 ARG A 56 -5.427 -4.455 -2.265 1.00 0.00 N ATOM 0 H ARG A 56 -10.046 -1.421 -2.610 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.367 -1.971 -2.025 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.600 -0.481 -4.388 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.923 -0.986 -4.353 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.848 -3.131 -3.598 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.032 -2.559 -5.244 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.205 -3.770 -5.867 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.205 -2.821 -4.785 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.074 -5.567 -4.299 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.595 -4.247 -2.101 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.393 -4.108 -0.813 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.676 -4.611 -2.937 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.208 -4.312 -1.279 1.00 0.00 H new ATOM 846 N CYS A 57 -7.346 1.257 -2.767 1.00 0.00 N ATOM 847 CA CYS A 57 -6.698 2.582 -2.410 1.00 0.00 C ATOM 848 C CYS A 57 -6.739 2.887 -0.886 1.00 0.00 C ATOM 849 O CYS A 57 -5.738 3.321 -0.344 1.00 0.00 O ATOM 850 CB CYS A 57 -7.387 3.697 -3.210 1.00 0.00 C ATOM 851 SG CYS A 57 -7.177 3.347 -4.982 1.00 0.00 S ATOM 0 H CYS A 57 -7.864 1.267 -3.646 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.642 2.524 -2.672 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -8.446 3.747 -2.956 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -6.954 4.666 -2.961 1.00 0.00 H new ATOM 856 N GLU A 58 -7.861 2.672 -0.193 1.00 0.00 N ATOM 857 CA GLU A 58 -7.938 2.945 1.292 1.00 0.00 C ATOM 858 C GLU A 58 -6.669 2.454 2.032 1.00 0.00 C ATOM 859 O GLU A 58 -6.084 3.202 2.793 1.00 0.00 O ATOM 860 CB GLU A 58 -9.163 2.229 1.866 1.00 0.00 C ATOM 861 CG GLU A 58 -10.441 2.939 1.400 1.00 0.00 C ATOM 862 CD GLU A 58 -11.460 2.969 2.542 1.00 0.00 C ATOM 863 OE1 GLU A 58 -11.170 3.585 3.554 1.00 0.00 O ATOM 864 OE2 GLU A 58 -12.514 2.375 2.383 1.00 0.00 O ATOM 0 H GLU A 58 -8.725 2.318 -0.603 1.00 0.00 H new ATOM 0 HA GLU A 58 -8.016 4.023 1.437 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.174 1.189 1.541 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -9.115 2.222 2.955 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.208 3.955 1.081 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.862 2.422 0.538 1.00 0.00 H new ATOM 871 N ALA A 59 -6.259 1.207 1.826 1.00 0.00 N ATOM 872 CA ALA A 59 -5.033 0.646 2.513 1.00 0.00 C ATOM 873 C ALA A 59 -3.874 1.660 2.544 1.00 0.00 C ATOM 874 O ALA A 59 -3.230 1.843 3.569 1.00 0.00 O ATOM 875 CB ALA A 59 -4.577 -0.613 1.773 1.00 0.00 C ATOM 0 H ALA A 59 -6.729 0.550 1.204 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.303 0.415 3.543 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.694 -1.023 2.263 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.377 -1.354 1.788 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.335 -0.361 0.740 1.00 0.00 H new ATOM 881 N VAL A 60 -3.612 2.310 1.432 1.00 0.00 N ATOM 882 CA VAL A 60 -2.506 3.326 1.358 1.00 0.00 C ATOM 883 C VAL A 60 -2.723 4.382 2.444 1.00 0.00 C ATOM 884 O VAL A 60 -1.812 4.725 3.189 1.00 0.00 O ATOM 885 CB VAL A 60 -2.529 4.007 -0.016 1.00 0.00 C ATOM 886 CG1 VAL A 60 -1.280 4.879 -0.172 1.00 0.00 C ATOM 887 CG2 VAL A 60 -2.561 2.947 -1.126 1.00 0.00 C ATOM 0 H VAL A 60 -4.124 2.178 0.560 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.545 2.832 1.505 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.421 4.629 -0.094 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.294 5.364 -1.148 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.266 5.638 0.610 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.389 4.257 -0.089 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.577 3.439 -2.099 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.675 2.317 -1.053 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.454 2.332 -1.016 1.00 0.00 H new ATOM 897 N ARG A 61 -3.933 4.893 2.523 1.00 0.00 N ATOM 898 CA ARG A 61 -4.272 5.934 3.548 1.00 0.00 C ATOM 899 C ARG A 61 -4.011 5.382 4.957 1.00 0.00 C ATOM 900 O ARG A 61 -3.710 6.127 5.867 1.00 0.00 O ATOM 901 CB ARG A 61 -5.748 6.319 3.415 1.00 0.00 C ATOM 902 CG ARG A 61 -5.919 7.805 3.741 1.00 0.00 C ATOM 903 CD ARG A 61 -7.221 8.321 3.123 1.00 0.00 C ATOM 904 NE ARG A 61 -8.377 7.871 3.948 1.00 0.00 N ATOM 905 CZ ARG A 61 -9.527 8.483 3.852 1.00 0.00 C ATOM 906 NH1 ARG A 61 -10.119 8.581 2.692 1.00 0.00 N ATOM 907 NH2 ARG A 61 -10.083 8.997 4.914 1.00 0.00 N ATOM 0 H ARG A 61 -4.707 4.629 1.914 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.649 6.814 3.387 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.098 6.115 2.403 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.355 5.715 4.090 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.935 7.951 4.821 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.072 8.372 3.355 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.203 9.409 3.067 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.323 7.951 2.103 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.270 7.084 4.588 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.683 8.180 1.862 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.017 9.059 2.616 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.620 8.921 5.820 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.981 9.475 4.839 1.00 0.00 H new ATOM 921 N ILE A 62 -4.139 4.085 5.134 1.00 0.00 N ATOM 922 CA ILE A 62 -3.905 3.448 6.477 1.00 0.00 C ATOM 923 C ILE A 62 -2.403 3.327 6.743 1.00 0.00 C ATOM 924 O ILE A 62 -1.987 3.293 7.886 1.00 0.00 O ATOM 925 CB ILE A 62 -4.565 2.054 6.494 1.00 0.00 C ATOM 926 CG1 ILE A 62 -6.086 2.221 6.513 1.00 0.00 C ATOM 927 CG2 ILE A 62 -4.131 1.249 7.731 1.00 0.00 C ATOM 928 CD1 ILE A 62 -6.735 1.087 5.716 1.00 0.00 C ATOM 0 H ILE A 62 -4.399 3.431 4.396 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.345 4.066 7.259 1.00 0.00 H new ATOM 0 HB ILE A 62 -4.251 1.512 5.602 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -6.450 2.212 7.540 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -6.362 3.185 6.085 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.612 0.271 7.716 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.049 1.121 7.721 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.424 1.784 8.634 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -7.818 1.206 5.730 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.380 1.117 4.686 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -6.470 0.129 6.164 1.00 0.00 H new ATOM 940 N LEU A 63 -1.601 3.232 5.710 1.00 0.00 N ATOM 941 CA LEU A 63 -0.129 3.095 5.916 1.00 0.00 C ATOM 942 C LEU A 63 0.478 4.447 6.267 1.00 0.00 C ATOM 943 O LEU A 63 1.294 4.531 7.168 1.00 0.00 O ATOM 944 CB LEU A 63 0.527 2.532 4.652 1.00 0.00 C ATOM 945 CG LEU A 63 1.980 2.148 4.949 1.00 0.00 C ATOM 946 CD1 LEU A 63 2.070 0.642 5.213 1.00 0.00 C ATOM 947 CD2 LEU A 63 2.859 2.504 3.748 1.00 0.00 C ATOM 0 H LEU A 63 -1.903 3.244 4.736 1.00 0.00 H new ATOM 0 HA LEU A 63 0.050 2.406 6.741 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.025 1.660 4.302 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.493 3.272 3.853 1.00 0.00 H new ATOM 0 HG LEU A 63 2.324 2.693 5.828 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.104 0.371 5.424 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.446 0.385 6.069 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.724 0.097 4.334 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.893 2.231 3.960 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.512 1.960 2.869 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.799 3.576 3.558 1.00 0.00 H new ATOM 959 N MET A 64 0.093 5.500 5.575 1.00 0.00 N ATOM 960 CA MET A 64 0.663 6.847 5.893 1.00 0.00 C ATOM 961 C MET A 64 -0.019 7.433 7.134 1.00 0.00 C ATOM 962 O MET A 64 0.648 7.884 8.052 1.00 0.00 O ATOM 963 CB MET A 64 0.481 7.809 4.710 1.00 0.00 C ATOM 964 CG MET A 64 1.312 9.078 4.956 1.00 0.00 C ATOM 965 SD MET A 64 0.209 10.507 5.096 1.00 0.00 S ATOM 966 CE MET A 64 1.245 11.488 6.211 1.00 0.00 C ATOM 0 H MET A 64 -0.584 5.482 4.812 1.00 0.00 H new ATOM 0 HA MET A 64 1.728 6.724 6.088 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.795 7.328 3.784 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.572 8.066 4.594 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.900 8.969 5.867 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.016 9.228 4.138 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.747 12.432 6.434 1.00 0.00 H new ATOM 0 HE2 MET A 64 1.408 10.936 7.136 1.00 0.00 H new ATOM 0 HE3 MET A 64 2.205 11.688 5.734 1.00 0.00 H new ATOM 976 N ASP A 65 -1.340 7.444 7.158 1.00 0.00 N ATOM 977 CA ASP A 65 -2.081 8.020 8.330 1.00 0.00 C ATOM 978 C ASP A 65 -2.165 7.019 9.488 1.00 0.00 C ATOM 979 O ASP A 65 -2.354 7.419 10.625 1.00 0.00 O ATOM 980 CB ASP A 65 -3.489 8.537 7.934 1.00 0.00 C ATOM 981 CG ASP A 65 -3.351 9.921 7.300 1.00 0.00 C ATOM 982 OD1 ASP A 65 -3.138 9.983 6.100 1.00 0.00 O ATOM 983 OD2 ASP A 65 -3.459 10.897 8.025 1.00 0.00 O ATOM 0 H ASP A 65 -1.933 7.078 6.414 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.507 8.881 8.673 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.960 7.847 7.234 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.132 8.588 8.813 1.00 0.00 H new ATOM 988 N GLY A 66 -2.051 5.732 9.211 1.00 0.00 N ATOM 989 CA GLY A 66 -2.155 4.711 10.303 1.00 0.00 C ATOM 990 C GLY A 66 -3.633 4.414 10.585 1.00 0.00 C ATOM 991 O GLY A 66 -4.486 5.271 10.426 1.00 0.00 O ATOM 0 H GLY A 66 -1.891 5.352 8.278 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.638 3.797 10.011 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.668 5.078 11.206 1.00 0.00 H new ATOM 995 N VAL A 67 -3.926 3.201 11.000 1.00 0.00 N ATOM 996 CA VAL A 67 -5.340 2.791 11.308 1.00 0.00 C ATOM 997 C VAL A 67 -5.436 2.412 12.788 1.00 0.00 C ATOM 998 O VAL A 67 -4.437 2.126 13.425 1.00 0.00 O ATOM 999 CB VAL A 67 -5.749 1.602 10.425 1.00 0.00 C ATOM 1000 CG1 VAL A 67 -4.740 0.466 10.595 1.00 0.00 C ATOM 1001 CG2 VAL A 67 -7.150 1.101 10.813 1.00 0.00 C ATOM 0 H VAL A 67 -3.234 2.465 11.141 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.017 3.620 11.101 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.766 1.929 9.385 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.032 -0.377 9.968 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.749 0.812 10.300 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.719 0.151 11.638 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.424 0.259 10.178 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.147 0.783 11.856 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.874 1.905 10.681 1.00 0.00 H new ATOM 1011 N VAL A 68 -6.633 2.432 13.335 1.00 0.00 N ATOM 1012 CA VAL A 68 -6.821 2.099 14.778 1.00 0.00 C ATOM 1013 C VAL A 68 -7.643 0.813 14.900 1.00 0.00 C ATOM 1014 O VAL A 68 -8.344 0.411 13.988 1.00 0.00 O ATOM 1015 CB VAL A 68 -7.524 3.262 15.507 1.00 0.00 C ATOM 1016 CG1 VAL A 68 -7.845 2.870 16.960 1.00 0.00 C ATOM 1017 CG2 VAL A 68 -6.595 4.478 15.524 1.00 0.00 C ATOM 0 H VAL A 68 -7.490 2.667 12.835 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.847 1.945 15.243 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.451 3.495 14.983 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.341 3.702 17.460 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.501 2.000 16.966 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.920 2.630 17.485 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.086 5.304 16.038 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.672 4.224 16.045 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.364 4.774 14.501 1.00 0.00 H new ATOM 1027 N THR A 69 -7.511 0.169 16.032 1.00 0.00 N ATOM 1028 CA THR A 69 -8.209 -1.114 16.305 1.00 0.00 C ATOM 1029 C THR A 69 -9.165 -0.918 17.472 1.00 0.00 C ATOM 1030 O THR A 69 -9.035 0.015 18.245 1.00 0.00 O ATOM 1031 CB THR A 69 -7.187 -2.204 16.648 1.00 0.00 C ATOM 1032 OG1 THR A 69 -6.311 -1.736 17.657 1.00 0.00 O ATOM 1033 CG2 THR A 69 -6.382 -2.562 15.400 1.00 0.00 C ATOM 0 H THR A 69 -6.927 0.496 16.801 1.00 0.00 H new ATOM 0 HA THR A 69 -8.766 -1.422 15.420 1.00 0.00 H new ATOM 0 HB THR A 69 -7.712 -3.089 17.008 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.635 -1.149 17.257 1.00 0.00 H new ATOM 0 HG21 THR A 69 -5.656 -3.337 15.645 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.056 -2.928 14.625 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.859 -1.677 15.038 1.00 0.00 H new ATOM 1041 N SER A 70 -10.140 -1.778 17.562 1.00 0.00 N ATOM 1042 CA SER A 70 -11.171 -1.696 18.637 1.00 0.00 C ATOM 1043 C SER A 70 -10.519 -1.910 19.998 1.00 0.00 C ATOM 1044 O SER A 70 -10.932 -1.338 20.993 1.00 0.00 O ATOM 1045 CB SER A 70 -12.218 -2.778 18.387 1.00 0.00 C ATOM 1046 OG SER A 70 -13.269 -2.647 19.337 1.00 0.00 O ATOM 0 H SER A 70 -10.269 -2.557 16.917 1.00 0.00 H new ATOM 0 HA SER A 70 -11.642 -0.713 18.628 1.00 0.00 H new ATOM 0 HB2 SER A 70 -12.614 -2.689 17.375 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.763 -3.765 18.466 1.00 0.00 H new ATOM 0 HG SER A 70 -13.943 -3.340 19.177 1.00 0.00 H new ATOM 1052 N SER A 71 -9.502 -2.728 20.029 1.00 0.00 N ATOM 1053 CA SER A 71 -8.770 -3.017 21.302 1.00 0.00 C ATOM 1054 C SER A 71 -8.123 -1.735 21.835 1.00 0.00 C ATOM 1055 O SER A 71 -7.750 -1.668 22.996 1.00 0.00 O ATOM 1056 CB SER A 71 -7.683 -4.064 21.043 1.00 0.00 C ATOM 1057 OG SER A 71 -7.043 -3.788 19.803 1.00 0.00 O ATOM 0 H SER A 71 -9.139 -3.219 19.212 1.00 0.00 H new ATOM 0 HA SER A 71 -9.476 -3.397 22.040 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.952 -4.053 21.852 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.122 -5.062 21.024 1.00 0.00 H new ATOM 0 HG SER A 71 -6.113 -4.094 19.840 1.00 0.00 H new ATOM 1063 N GLY A 72 -7.979 -0.723 20.996 1.00 0.00 N ATOM 1064 CA GLY A 72 -7.347 0.557 21.441 1.00 0.00 C ATOM 1065 C GLY A 72 -5.883 0.604 20.970 1.00 0.00 C ATOM 1066 O GLY A 72 -5.116 1.433 21.433 1.00 0.00 O ATOM 0 H GLY A 72 -8.276 -0.737 20.020 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.897 1.406 21.035 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.392 0.638 22.527 1.00 0.00 H new ATOM 1070 N GLN A 73 -5.487 -0.281 20.059 1.00 0.00 N ATOM 1071 CA GLN A 73 -4.069 -0.287 19.563 1.00 0.00 C ATOM 1072 C GLN A 73 -4.013 0.336 18.169 1.00 0.00 C ATOM 1073 O GLN A 73 -4.999 0.356 17.469 1.00 0.00 O ATOM 1074 CB GLN A 73 -3.555 -1.727 19.500 1.00 0.00 C ATOM 1075 CG GLN A 73 -3.706 -2.384 20.872 1.00 0.00 C ATOM 1076 CD GLN A 73 -3.606 -3.902 20.724 1.00 0.00 C ATOM 1077 OE1 GLN A 73 -4.458 -4.522 20.117 1.00 0.00 O ATOM 1078 NE2 GLN A 73 -2.593 -4.534 21.251 1.00 0.00 N ATOM 0 H GLN A 73 -6.090 -0.993 19.645 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.445 0.291 20.244 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.112 -2.291 18.752 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -2.509 -1.738 19.193 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -2.931 -2.022 21.548 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -4.665 -2.113 21.313 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -1.877 -4.015 21.760 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.517 -5.546 21.153 1.00 0.00 H new ATOM 1087 N HIS A 74 -2.867 0.839 17.764 1.00 0.00 N ATOM 1088 CA HIS A 74 -2.734 1.461 16.412 1.00 0.00 C ATOM 1089 C HIS A 74 -1.760 0.619 15.596 1.00 0.00 C ATOM 1090 O HIS A 74 -0.930 -0.083 16.154 1.00 0.00 O ATOM 1091 CB HIS A 74 -2.159 2.864 16.547 1.00 0.00 C ATOM 1092 CG HIS A 74 -3.227 3.847 16.954 1.00 0.00 C ATOM 1093 ND1 HIS A 74 -3.263 5.139 16.453 1.00 0.00 N ATOM 1094 CD2 HIS A 74 -4.288 3.755 17.823 1.00 0.00 C ATOM 1095 CE1 HIS A 74 -4.310 5.767 17.020 1.00 0.00 C ATOM 1096 NE2 HIS A 74 -4.969 4.968 17.862 1.00 0.00 N ATOM 0 H HIS A 74 -2.013 0.843 18.321 1.00 0.00 H new ATOM 0 HA HIS A 74 -3.710 1.510 15.930 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -1.359 2.864 17.287 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -1.717 3.173 15.600 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -4.553 2.875 18.390 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -4.583 6.792 16.818 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -5.795 5.197 18.415 1.00 0.00 H new ATOM 1104 N GLU A 75 -1.860 0.678 14.286 1.00 0.00 N ATOM 1105 CA GLU A 75 -0.944 -0.132 13.423 1.00 0.00 C ATOM 1106 C GLU A 75 -0.558 0.645 12.176 1.00 0.00 C ATOM 1107 O GLU A 75 -0.927 1.797 12.009 1.00 0.00 O ATOM 1108 CB GLU A 75 -1.611 -1.449 13.009 1.00 0.00 C ATOM 1109 CG GLU A 75 -2.342 -2.080 14.200 1.00 0.00 C ATOM 1110 CD GLU A 75 -3.765 -1.524 14.277 1.00 0.00 C ATOM 1111 OE1 GLU A 75 -4.488 -1.670 13.304 1.00 0.00 O ATOM 1112 OE2 GLU A 75 -4.107 -0.962 15.303 1.00 0.00 O ATOM 0 H GLU A 75 -2.536 1.251 13.781 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.048 -0.351 14.004 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.316 -1.267 12.198 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.859 -2.140 12.629 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.369 -3.164 14.091 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.806 -1.866 15.125 1.00 0.00 H new ATOM 1119 N GLY A 76 0.208 0.013 11.311 1.00 0.00 N ATOM 1120 CA GLY A 76 0.674 0.677 10.059 1.00 0.00 C ATOM 1121 C GLY A 76 1.487 1.908 10.442 1.00 0.00 C ATOM 1122 O GLY A 76 2.357 1.835 11.290 1.00 0.00 O ATOM 0 H GLY A 76 0.531 -0.948 11.427 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.281 -0.010 9.469 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -0.178 0.962 9.441 1.00 0.00 H new ATOM 1126 N ARG A 77 1.201 3.025 9.810 1.00 0.00 N ATOM 1127 CA ARG A 77 1.919 4.319 10.093 1.00 0.00 C ATOM 1128 C ARG A 77 3.441 4.072 10.201 1.00 0.00 C ATOM 1129 O ARG A 77 4.144 4.776 10.912 1.00 0.00 O ATOM 1130 CB ARG A 77 1.372 4.944 11.396 1.00 0.00 C ATOM 1131 CG ARG A 77 1.722 4.084 12.616 1.00 0.00 C ATOM 1132 CD ARG A 77 1.413 4.865 13.894 1.00 0.00 C ATOM 1133 NE ARG A 77 2.611 5.656 14.294 1.00 0.00 N ATOM 1134 CZ ARG A 77 3.063 5.582 15.515 1.00 0.00 C ATOM 1135 NH1 ARG A 77 2.245 5.717 16.523 1.00 0.00 N ATOM 1136 NH2 ARG A 77 4.333 5.374 15.730 1.00 0.00 N ATOM 0 H ARG A 77 0.481 3.098 9.091 1.00 0.00 H new ATOM 0 HA ARG A 77 1.745 5.014 9.272 1.00 0.00 H new ATOM 0 HB2 ARG A 77 1.785 5.945 11.523 1.00 0.00 H new ATOM 0 HB3 ARG A 77 0.290 5.053 11.323 1.00 0.00 H new ATOM 0 HG2 ARG A 77 1.150 3.156 12.597 1.00 0.00 H new ATOM 0 HG3 ARG A 77 2.777 3.809 12.591 1.00 0.00 H new ATOM 0 HD2 ARG A 77 0.564 5.528 13.731 1.00 0.00 H new ATOM 0 HD3 ARG A 77 1.133 4.179 14.694 1.00 0.00 H new ATOM 0 HE ARG A 77 3.077 6.255 13.613 1.00 0.00 H new ATOM 0 HH11 ARG A 77 1.252 5.880 16.356 1.00 0.00 H new ATOM 0 HH12 ARG A 77 2.599 5.659 17.478 1.00 0.00 H new ATOM 0 HH21 ARG A 77 4.973 5.269 14.943 1.00 0.00 H new ATOM 0 HH22 ARG A 77 4.686 5.316 16.685 1.00 0.00 H new ATOM 1150 N LEU A 78 3.936 3.058 9.507 1.00 0.00 N ATOM 1151 CA LEU A 78 5.394 2.717 9.563 1.00 0.00 C ATOM 1152 C LEU A 78 6.220 3.755 8.795 1.00 0.00 C ATOM 1153 O LEU A 78 7.413 3.876 9.019 1.00 0.00 O ATOM 1154 CB LEU A 78 5.621 1.315 8.983 1.00 0.00 C ATOM 1155 CG LEU A 78 5.128 0.270 9.986 1.00 0.00 C ATOM 1156 CD1 LEU A 78 4.635 -0.970 9.239 1.00 0.00 C ATOM 1157 CD2 LEU A 78 6.276 -0.123 10.917 1.00 0.00 C ATOM 0 H LEU A 78 3.381 2.453 8.902 1.00 0.00 H new ATOM 0 HA LEU A 78 5.719 2.727 10.603 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.089 1.209 8.038 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.679 1.163 8.772 1.00 0.00 H new ATOM 0 HG LEU A 78 4.309 0.690 10.570 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.285 -1.712 9.957 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.816 -0.693 8.575 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.452 -1.390 8.652 1.00 0.00 H new ATOM 0 HD21 LEU A 78 5.926 -0.867 11.632 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.094 -0.540 10.330 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.627 0.758 11.454 1.00 0.00 H new ATOM 1169 N LEU A 79 5.597 4.517 7.904 1.00 0.00 N ATOM 1170 CA LEU A 79 6.332 5.571 7.125 1.00 0.00 C ATOM 1171 C LEU A 79 7.165 6.434 8.099 1.00 0.00 C ATOM 1172 O LEU A 79 6.625 7.261 8.817 1.00 0.00 O ATOM 1173 CB LEU A 79 5.290 6.432 6.362 1.00 0.00 C ATOM 1174 CG LEU A 79 5.821 7.844 6.024 1.00 0.00 C ATOM 1175 CD1 LEU A 79 7.194 7.755 5.350 1.00 0.00 C ATOM 1176 CD2 LEU A 79 4.839 8.542 5.078 1.00 0.00 C ATOM 0 H LEU A 79 4.603 4.447 7.688 1.00 0.00 H new ATOM 0 HA LEU A 79 7.013 5.119 6.404 1.00 0.00 H new ATOM 0 HB2 LEU A 79 5.008 5.923 5.440 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.387 6.522 6.965 1.00 0.00 H new ATOM 0 HG LEU A 79 5.918 8.413 6.949 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.552 8.758 5.119 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.898 7.264 6.022 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.110 7.179 4.428 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.211 9.538 4.838 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.741 7.960 4.161 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.865 8.625 5.561 1.00 0.00 H new ATOM 1188 N GLN A 80 8.468 6.235 8.115 1.00 0.00 N ATOM 1189 CA GLN A 80 9.358 7.023 9.025 1.00 0.00 C ATOM 1190 C GLN A 80 10.645 7.394 8.298 1.00 0.00 C ATOM 1191 O GLN A 80 10.917 6.921 7.206 1.00 0.00 O ATOM 1192 CB GLN A 80 9.710 6.190 10.264 1.00 0.00 C ATOM 1193 CG GLN A 80 8.463 5.973 11.127 1.00 0.00 C ATOM 1194 CD GLN A 80 8.436 7.003 12.256 1.00 0.00 C ATOM 1195 OE1 GLN A 80 9.236 6.944 13.168 1.00 0.00 O ATOM 1196 NE2 GLN A 80 7.539 7.950 12.236 1.00 0.00 N ATOM 0 H GLN A 80 8.952 5.554 7.530 1.00 0.00 H new ATOM 0 HA GLN A 80 8.832 7.928 9.329 1.00 0.00 H new ATOM 0 HB2 GLN A 80 10.122 5.228 9.959 1.00 0.00 H new ATOM 0 HB3 GLN A 80 10.480 6.697 10.845 1.00 0.00 H new ATOM 0 HG2 GLN A 80 7.565 6.064 10.516 1.00 0.00 H new ATOM 0 HG3 GLN A 80 8.466 4.965 11.541 1.00 0.00 H new ATOM 0 HE21 GLN A 80 6.867 8.000 11.470 1.00 0.00 H new ATOM 0 HE22 GLN A 80 7.510 8.641 12.986 1.00 0.00 H new ATOM 1205 N ASP A 81 11.425 8.246 8.915 1.00 0.00 N ATOM 1206 CA ASP A 81 12.710 8.700 8.319 1.00 0.00 C ATOM 1207 C ASP A 81 13.801 7.653 8.547 1.00 0.00 C ATOM 1208 O ASP A 81 14.348 7.531 9.631 1.00 0.00 O ATOM 1209 CB ASP A 81 13.140 10.019 8.968 1.00 0.00 C ATOM 1210 CG ASP A 81 12.003 11.035 8.869 1.00 0.00 C ATOM 1211 OD1 ASP A 81 11.031 10.877 9.589 1.00 0.00 O ATOM 1212 OD2 ASP A 81 12.124 11.954 8.076 1.00 0.00 O ATOM 0 H ASP A 81 11.216 8.652 9.827 1.00 0.00 H new ATOM 0 HA ASP A 81 12.567 8.842 7.248 1.00 0.00 H new ATOM 0 HB2 ASP A 81 13.403 9.853 10.013 1.00 0.00 H new ATOM 0 HB3 ASP A 81 14.031 10.406 8.473 1.00 0.00 H new ATOM 1217 N LEU A 82 14.139 6.942 7.503 1.00 0.00 N ATOM 1218 CA LEU A 82 15.233 5.918 7.561 1.00 0.00 C ATOM 1219 C LEU A 82 16.563 6.649 7.279 1.00 0.00 C ATOM 1220 O LEU A 82 16.532 7.817 6.920 1.00 0.00 O ATOM 1221 CB LEU A 82 14.956 4.848 6.487 1.00 0.00 C ATOM 1222 CG LEU A 82 13.941 3.824 7.015 1.00 0.00 C ATOM 1223 CD1 LEU A 82 13.287 3.087 5.840 1.00 0.00 C ATOM 1224 CD2 LEU A 82 14.660 2.804 7.903 1.00 0.00 C ATOM 0 H LEU A 82 13.694 7.028 6.589 1.00 0.00 H new ATOM 0 HA LEU A 82 15.283 5.429 8.534 1.00 0.00 H new ATOM 0 HB2 LEU A 82 14.572 5.320 5.583 1.00 0.00 H new ATOM 0 HB3 LEU A 82 15.884 4.345 6.215 1.00 0.00 H new ATOM 0 HG LEU A 82 13.176 4.345 7.591 1.00 0.00 H new ATOM 0 HD11 LEU A 82 12.568 2.362 6.220 1.00 0.00 H new ATOM 0 HD12 LEU A 82 12.774 3.805 5.200 1.00 0.00 H new ATOM 0 HD13 LEU A 82 14.053 2.570 5.263 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.940 2.077 8.278 1.00 0.00 H new ATOM 0 HD22 LEU A 82 15.425 2.290 7.321 1.00 0.00 H new ATOM 0 HD23 LEU A 82 15.127 3.318 8.743 1.00 0.00 H new ATOM 1236 N PRO A 83 17.701 5.982 7.437 1.00 0.00 N ATOM 1237 CA PRO A 83 19.001 6.631 7.179 1.00 0.00 C ATOM 1238 C PRO A 83 19.158 6.905 5.680 1.00 0.00 C ATOM 1239 O PRO A 83 19.431 6.008 4.901 1.00 0.00 O ATOM 1240 CB PRO A 83 20.033 5.632 7.709 1.00 0.00 C ATOM 1241 CG PRO A 83 19.326 4.262 7.755 1.00 0.00 C ATOM 1242 CD PRO A 83 17.817 4.558 7.860 1.00 0.00 C ATOM 0 HA PRO A 83 19.112 7.601 7.665 1.00 0.00 H new ATOM 0 HB2 PRO A 83 20.908 5.596 7.060 1.00 0.00 H new ATOM 0 HB3 PRO A 83 20.382 5.923 8.700 1.00 0.00 H new ATOM 0 HG2 PRO A 83 19.547 3.680 6.860 1.00 0.00 H new ATOM 0 HG3 PRO A 83 19.668 3.676 8.608 1.00 0.00 H new ATOM 0 HD2 PRO A 83 17.235 3.901 7.214 1.00 0.00 H new ATOM 0 HD3 PRO A 83 17.451 4.412 8.876 1.00 0.00 H new ATOM 1250 N GLY A 84 18.974 8.153 5.290 1.00 0.00 N ATOM 1251 CA GLY A 84 19.093 8.549 3.850 1.00 0.00 C ATOM 1252 C GLY A 84 17.729 8.463 3.134 1.00 0.00 C ATOM 1253 O GLY A 84 17.677 8.554 1.919 1.00 0.00 O ATOM 0 H GLY A 84 18.743 8.920 5.922 1.00 0.00 H new ATOM 0 HA2 GLY A 84 19.480 9.566 3.780 1.00 0.00 H new ATOM 0 HA3 GLY A 84 19.811 7.900 3.349 1.00 0.00 H new ATOM 1257 N CYS A 85 16.631 8.305 3.868 1.00 0.00 N ATOM 1258 CA CYS A 85 15.275 8.229 3.216 1.00 0.00 C ATOM 1259 C CYS A 85 14.250 8.953 4.124 1.00 0.00 C ATOM 1260 O CYS A 85 13.680 8.329 4.994 1.00 0.00 O ATOM 1261 CB CYS A 85 14.838 6.761 3.061 1.00 0.00 C ATOM 1262 SG CYS A 85 16.242 5.719 2.622 1.00 0.00 S ATOM 0 H CYS A 85 16.623 8.227 4.885 1.00 0.00 H new ATOM 0 HA CYS A 85 15.324 8.696 2.232 1.00 0.00 H new ATOM 0 HB2 CYS A 85 14.395 6.408 3.992 1.00 0.00 H new ATOM 0 HB3 CYS A 85 14.068 6.685 2.293 1.00 0.00 H new ATOM 1267 N PRO A 86 14.040 10.247 3.930 1.00 0.00 N ATOM 1268 CA PRO A 86 13.093 11.004 4.777 1.00 0.00 C ATOM 1269 C PRO A 86 11.652 10.670 4.417 1.00 0.00 C ATOM 1270 O PRO A 86 11.377 10.206 3.323 1.00 0.00 O ATOM 1271 CB PRO A 86 13.387 12.470 4.458 1.00 0.00 C ATOM 1272 CG PRO A 86 14.091 12.482 3.082 1.00 0.00 C ATOM 1273 CD PRO A 86 14.680 11.069 2.873 1.00 0.00 C ATOM 0 HA PRO A 86 13.211 10.767 5.834 1.00 0.00 H new ATOM 0 HB2 PRO A 86 12.467 13.054 4.429 1.00 0.00 H new ATOM 0 HB3 PRO A 86 14.023 12.915 5.224 1.00 0.00 H new ATOM 0 HG2 PRO A 86 13.386 12.729 2.288 1.00 0.00 H new ATOM 0 HG3 PRO A 86 14.877 13.237 3.056 1.00 0.00 H new ATOM 0 HD2 PRO A 86 14.452 10.686 1.878 1.00 0.00 H new ATOM 0 HD3 PRO A 86 15.765 11.071 2.973 1.00 0.00 H new ATOM 1281 N ARG A 87 10.726 10.937 5.324 1.00 0.00 N ATOM 1282 CA ARG A 87 9.280 10.682 5.055 1.00 0.00 C ATOM 1283 C ARG A 87 8.892 11.283 3.701 1.00 0.00 C ATOM 1284 O ARG A 87 7.968 10.836 3.052 1.00 0.00 O ATOM 1285 CB ARG A 87 8.451 11.393 6.114 1.00 0.00 C ATOM 1286 CG ARG A 87 8.813 10.843 7.480 1.00 0.00 C ATOM 1287 CD ARG A 87 7.790 11.284 8.532 1.00 0.00 C ATOM 1288 NE ARG A 87 6.406 11.077 8.022 1.00 0.00 N ATOM 1289 CZ ARG A 87 5.527 12.035 8.113 1.00 0.00 C ATOM 1290 NH1 ARG A 87 4.888 12.228 9.234 1.00 0.00 N ATOM 1291 NH2 ARG A 87 5.285 12.797 7.083 1.00 0.00 N ATOM 0 H ARG A 87 10.924 11.325 6.246 1.00 0.00 H new ATOM 0 HA ARG A 87 9.102 9.607 5.063 1.00 0.00 H new ATOM 0 HB2 ARG A 87 8.638 12.466 6.079 1.00 0.00 H new ATOM 0 HB3 ARG A 87 7.388 11.248 5.920 1.00 0.00 H new ATOM 0 HG2 ARG A 87 8.854 9.755 7.440 1.00 0.00 H new ATOM 0 HG3 ARG A 87 9.807 11.189 7.765 1.00 0.00 H new ATOM 0 HD2 ARG A 87 7.935 10.717 9.451 1.00 0.00 H new ATOM 0 HD3 ARG A 87 7.941 12.335 8.779 1.00 0.00 H new ATOM 0 HE ARG A 87 6.146 10.185 7.601 1.00 0.00 H new ATOM 0 HH11 ARG A 87 5.077 11.629 10.038 1.00 0.00 H new ATOM 0 HH12 ARG A 87 4.200 12.977 9.306 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.784 12.643 6.207 1.00 0.00 H new ATOM 0 HH22 ARG A 87 4.597 13.547 7.154 1.00 0.00 H new ATOM 1305 N GLN A 88 9.588 12.333 3.317 1.00 0.00 N ATOM 1306 CA GLN A 88 9.292 13.055 2.033 1.00 0.00 C ATOM 1307 C GLN A 88 9.342 12.111 0.816 1.00 0.00 C ATOM 1308 O GLN A 88 8.439 12.113 -0.016 1.00 0.00 O ATOM 1309 CB GLN A 88 10.328 14.170 1.849 1.00 0.00 C ATOM 1310 CG GLN A 88 9.667 15.394 1.213 1.00 0.00 C ATOM 1311 CD GLN A 88 10.449 16.649 1.604 1.00 0.00 C ATOM 1312 OE1 GLN A 88 10.197 17.239 2.635 1.00 0.00 O ATOM 1313 NE2 GLN A 88 11.398 17.082 0.820 1.00 0.00 N ATOM 0 H GLN A 88 10.363 12.726 3.851 1.00 0.00 H new ATOM 0 HA GLN A 88 8.283 13.463 2.095 1.00 0.00 H new ATOM 0 HB2 GLN A 88 10.761 14.439 2.813 1.00 0.00 H new ATOM 0 HB3 GLN A 88 11.145 13.819 1.219 1.00 0.00 H new ATOM 0 HG2 GLN A 88 9.645 15.288 0.128 1.00 0.00 H new ATOM 0 HG3 GLN A 88 8.632 15.477 1.546 1.00 0.00 H new ATOM 0 HE21 GLN A 88 11.610 16.587 -0.046 1.00 0.00 H new ATOM 0 HE22 GLN A 88 11.928 17.916 1.073 1.00 0.00 H new ATOM 1322 N VAL A 89 10.393 11.324 0.695 1.00 0.00 N ATOM 1323 CA VAL A 89 10.540 10.399 -0.465 1.00 0.00 C ATOM 1324 C VAL A 89 9.445 9.345 -0.421 1.00 0.00 C ATOM 1325 O VAL A 89 8.875 8.980 -1.444 1.00 0.00 O ATOM 1326 CB VAL A 89 11.918 9.752 -0.367 1.00 0.00 C ATOM 1327 CG1 VAL A 89 12.143 8.787 -1.531 1.00 0.00 C ATOM 1328 CG2 VAL A 89 12.958 10.854 -0.412 1.00 0.00 C ATOM 0 H VAL A 89 11.161 11.289 1.365 1.00 0.00 H new ATOM 0 HA VAL A 89 10.448 10.937 -1.408 1.00 0.00 H new ATOM 0 HB VAL A 89 11.994 9.187 0.562 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.131 8.336 -1.444 1.00 0.00 H new ATOM 0 HG12 VAL A 89 11.384 8.005 -1.508 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.075 9.331 -2.473 1.00 0.00 H new ATOM 0 HG21 VAL A 89 13.954 10.417 -0.343 1.00 0.00 H new ATOM 0 HG22 VAL A 89 12.866 11.403 -1.349 1.00 0.00 H new ATOM 0 HG23 VAL A 89 12.802 11.536 0.424 1.00 0.00 H new ATOM 1338 N GLN A 90 9.142 8.876 0.762 1.00 0.00 N ATOM 1339 CA GLN A 90 8.067 7.848 0.919 1.00 0.00 C ATOM 1340 C GLN A 90 6.738 8.469 0.498 1.00 0.00 C ATOM 1341 O GLN A 90 5.854 7.777 0.036 1.00 0.00 O ATOM 1342 CB GLN A 90 7.933 7.373 2.377 1.00 0.00 C ATOM 1343 CG GLN A 90 9.288 7.327 3.109 1.00 0.00 C ATOM 1344 CD GLN A 90 10.325 6.548 2.296 1.00 0.00 C ATOM 1345 OE1 GLN A 90 9.996 5.610 1.594 1.00 0.00 O ATOM 1346 NE2 GLN A 90 11.573 6.899 2.371 1.00 0.00 N ATOM 0 H GLN A 90 9.594 9.162 1.630 1.00 0.00 H new ATOM 0 HA GLN A 90 8.328 6.990 0.300 1.00 0.00 H new ATOM 0 HB2 GLN A 90 7.257 8.040 2.912 1.00 0.00 H new ATOM 0 HB3 GLN A 90 7.481 6.381 2.393 1.00 0.00 H new ATOM 0 HG2 GLN A 90 9.645 8.342 3.284 1.00 0.00 H new ATOM 0 HG3 GLN A 90 9.162 6.861 4.086 1.00 0.00 H new ATOM 0 HE21 GLN A 90 11.847 7.685 2.960 1.00 0.00 H new ATOM 0 HE22 GLN A 90 12.279 6.388 1.841 1.00 0.00 H new ATOM 1355 N ARG A 91 6.602 9.771 0.666 1.00 0.00 N ATOM 1356 CA ARG A 91 5.333 10.466 0.281 1.00 0.00 C ATOM 1357 C ARG A 91 5.299 10.675 -1.234 1.00 0.00 C ATOM 1358 O ARG A 91 4.235 10.765 -1.820 1.00 0.00 O ATOM 1359 CB ARG A 91 5.228 11.815 0.995 1.00 0.00 C ATOM 1360 CG ARG A 91 3.750 12.188 1.164 1.00 0.00 C ATOM 1361 CD ARG A 91 3.100 11.286 2.220 1.00 0.00 C ATOM 1362 NE ARG A 91 1.682 11.004 1.831 1.00 0.00 N ATOM 1363 CZ ARG A 91 1.208 9.783 1.853 1.00 0.00 C ATOM 1364 NH1 ARG A 91 1.966 8.766 1.532 1.00 0.00 N ATOM 1365 NH2 ARG A 91 -0.038 9.581 2.190 1.00 0.00 N ATOM 0 H ARG A 91 7.322 10.380 1.055 1.00 0.00 H new ATOM 0 HA ARG A 91 4.487 9.847 0.579 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.715 11.762 1.969 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.745 12.584 0.421 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.662 13.233 1.462 1.00 0.00 H new ATOM 0 HG3 ARG A 91 3.229 12.083 0.213 1.00 0.00 H new ATOM 0 HD2 ARG A 91 3.656 10.353 2.309 1.00 0.00 H new ATOM 0 HD3 ARG A 91 3.131 11.770 3.196 1.00 0.00 H new ATOM 0 HE ARG A 91 1.077 11.773 1.545 1.00 0.00 H new ATOM 0 HH11 ARG A 91 2.937 8.919 1.261 1.00 0.00 H new ATOM 0 HH12 ARG A 91 1.586 7.820 1.553 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -0.635 10.371 2.434 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -0.414 8.633 2.209 1.00 0.00 H new ATOM 1379 N ALA A 92 6.455 10.762 -1.869 1.00 0.00 N ATOM 1380 CA ALA A 92 6.499 10.964 -3.354 1.00 0.00 C ATOM 1381 C ALA A 92 6.090 9.666 -4.064 1.00 0.00 C ATOM 1382 O ALA A 92 5.252 9.678 -4.949 1.00 0.00 O ATOM 1383 CB ALA A 92 7.919 11.351 -3.777 1.00 0.00 C ATOM 0 H ALA A 92 7.367 10.701 -1.417 1.00 0.00 H new ATOM 0 HA ALA A 92 5.808 11.760 -3.629 1.00 0.00 H new ATOM 0 HB1 ALA A 92 7.950 11.498 -4.857 1.00 0.00 H new ATOM 0 HB2 ALA A 92 8.208 12.275 -3.277 1.00 0.00 H new ATOM 0 HB3 ALA A 92 8.611 10.556 -3.499 1.00 0.00 H new ATOM 1389 N PHE A 93 6.695 8.555 -3.687 1.00 0.00 N ATOM 1390 CA PHE A 93 6.375 7.226 -4.324 1.00 0.00 C ATOM 1391 C PHE A 93 5.062 6.640 -3.756 1.00 0.00 C ATOM 1392 O PHE A 93 4.413 5.826 -4.393 1.00 0.00 O ATOM 1393 CB PHE A 93 7.539 6.257 -4.052 1.00 0.00 C ATOM 1394 CG PHE A 93 7.213 4.875 -4.586 1.00 0.00 C ATOM 1395 CD1 PHE A 93 6.458 3.988 -3.808 1.00 0.00 C ATOM 1396 CD2 PHE A 93 7.657 4.490 -5.855 1.00 0.00 C ATOM 1397 CE1 PHE A 93 6.147 2.716 -4.301 1.00 0.00 C ATOM 1398 CE2 PHE A 93 7.346 3.217 -6.348 1.00 0.00 C ATOM 1399 CZ PHE A 93 6.591 2.330 -5.572 1.00 0.00 C ATOM 0 H PHE A 93 7.405 8.513 -2.956 1.00 0.00 H new ATOM 0 HA PHE A 93 6.243 7.368 -5.397 1.00 0.00 H new ATOM 0 HB2 PHE A 93 8.449 6.630 -4.522 1.00 0.00 H new ATOM 0 HB3 PHE A 93 7.733 6.203 -2.981 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.116 4.286 -2.828 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.239 5.174 -6.454 1.00 0.00 H new ATOM 0 HE1 PHE A 93 5.565 2.032 -3.702 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.689 2.919 -7.328 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.351 1.348 -5.953 1.00 0.00 H new ATOM 1409 N ALA A 94 4.716 7.011 -2.547 1.00 0.00 N ATOM 1410 CA ALA A 94 3.496 6.464 -1.857 1.00 0.00 C ATOM 1411 C ALA A 94 2.209 6.494 -2.720 1.00 0.00 C ATOM 1412 O ALA A 94 1.502 5.502 -2.742 1.00 0.00 O ATOM 1413 CB ALA A 94 3.247 7.256 -0.573 1.00 0.00 C ATOM 0 H ALA A 94 5.240 7.688 -1.992 1.00 0.00 H new ATOM 0 HA ALA A 94 3.708 5.415 -1.652 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.364 6.864 -0.069 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.111 7.164 0.085 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.088 8.306 -0.818 1.00 0.00 H new ATOM 1419 N PRO A 95 1.897 7.612 -3.375 1.00 0.00 N ATOM 1420 CA PRO A 95 0.657 7.738 -4.194 1.00 0.00 C ATOM 1421 C PRO A 95 0.702 6.973 -5.536 1.00 0.00 C ATOM 1422 O PRO A 95 -0.017 7.323 -6.458 1.00 0.00 O ATOM 1423 CB PRO A 95 0.527 9.247 -4.423 1.00 0.00 C ATOM 1424 CG PRO A 95 1.935 9.846 -4.224 1.00 0.00 C ATOM 1425 CD PRO A 95 2.721 8.843 -3.362 1.00 0.00 C ATOM 0 HA PRO A 95 -0.195 7.293 -3.679 1.00 0.00 H new ATOM 0 HB2 PRO A 95 0.155 9.456 -5.426 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -0.183 9.686 -3.722 1.00 0.00 H new ATOM 0 HG2 PRO A 95 2.429 10.003 -5.183 1.00 0.00 H new ATOM 0 HG3 PRO A 95 1.877 10.817 -3.733 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.714 8.660 -3.773 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.860 9.216 -2.347 1.00 0.00 H new ATOM 1433 N LYS A 96 1.499 5.926 -5.643 1.00 0.00 N ATOM 1434 CA LYS A 96 1.557 5.118 -6.901 1.00 0.00 C ATOM 1435 C LYS A 96 1.543 3.627 -6.509 1.00 0.00 C ATOM 1436 O LYS A 96 2.223 2.803 -7.101 1.00 0.00 O ATOM 1437 CB LYS A 96 2.839 5.467 -7.674 1.00 0.00 C ATOM 1438 CG LYS A 96 2.488 6.296 -8.916 1.00 0.00 C ATOM 1439 CD LYS A 96 3.589 7.328 -9.173 1.00 0.00 C ATOM 1440 CE LYS A 96 3.588 7.724 -10.652 1.00 0.00 C ATOM 1441 NZ LYS A 96 2.302 8.400 -10.988 1.00 0.00 N ATOM 0 H LYS A 96 2.116 5.599 -4.900 1.00 0.00 H new ATOM 0 HA LYS A 96 0.704 5.335 -7.544 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.520 6.026 -7.033 1.00 0.00 H new ATOM 0 HB3 LYS A 96 3.356 4.554 -7.969 1.00 0.00 H new ATOM 0 HG2 LYS A 96 2.378 5.643 -9.782 1.00 0.00 H new ATOM 0 HG3 LYS A 96 1.531 6.798 -8.772 1.00 0.00 H new ATOM 0 HD2 LYS A 96 3.429 8.208 -8.551 1.00 0.00 H new ATOM 0 HD3 LYS A 96 4.559 6.915 -8.897 1.00 0.00 H new ATOM 0 HE2 LYS A 96 4.426 8.389 -10.861 1.00 0.00 H new ATOM 0 HE3 LYS A 96 3.720 6.840 -11.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 2.373 8.832 -11.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.531 7.702 -10.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 2.104 9.139 -10.283 1.00 0.00 H new ATOM 1455 N LEU A 97 0.771 3.297 -5.488 1.00 0.00 N ATOM 1456 CA LEU A 97 0.685 1.881 -4.991 1.00 0.00 C ATOM 1457 C LEU A 97 -0.147 1.010 -5.949 1.00 0.00 C ATOM 1458 O LEU A 97 0.399 0.210 -6.686 1.00 0.00 O ATOM 1459 CB LEU A 97 0.050 1.871 -3.593 1.00 0.00 C ATOM 1460 CG LEU A 97 0.923 1.057 -2.633 1.00 0.00 C ATOM 1461 CD1 LEU A 97 0.647 1.495 -1.193 1.00 0.00 C ATOM 1462 CD2 LEU A 97 0.595 -0.430 -2.787 1.00 0.00 C ATOM 0 H LEU A 97 0.191 3.960 -4.974 1.00 0.00 H new ATOM 0 HA LEU A 97 1.692 1.466 -4.943 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.058 2.891 -3.225 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.951 1.442 -3.641 1.00 0.00 H new ATOM 0 HG LEU A 97 1.975 1.225 -2.866 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.269 0.915 -0.511 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.879 2.554 -1.084 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.404 1.328 -0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.215 -1.012 -2.105 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.457 -0.597 -2.553 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.793 -0.742 -3.813 1.00 0.00 H new ATOM 1474 N VAL A 98 -1.464 1.145 -5.943 1.00 0.00 N ATOM 1475 CA VAL A 98 -2.315 0.301 -6.851 1.00 0.00 C ATOM 1476 C VAL A 98 -2.257 0.798 -8.308 1.00 0.00 C ATOM 1477 O VAL A 98 -3.026 0.342 -9.137 1.00 0.00 O ATOM 1478 CB VAL A 98 -3.767 0.306 -6.357 1.00 0.00 C ATOM 1479 CG1 VAL A 98 -3.794 -0.049 -4.880 1.00 0.00 C ATOM 1480 CG2 VAL A 98 -4.408 1.689 -6.546 1.00 0.00 C ATOM 0 H VAL A 98 -1.978 1.799 -5.352 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.922 -0.715 -6.828 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.330 -0.425 -6.937 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.824 -0.047 -4.524 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.362 -1.040 -4.736 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.215 0.684 -4.319 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.437 1.665 -6.188 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -3.844 2.432 -5.981 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -4.398 1.953 -7.603 1.00 0.00 H new ATOM 1490 N THR A 99 -1.362 1.713 -8.620 1.00 0.00 N ATOM 1491 CA THR A 99 -1.240 2.228 -10.021 1.00 0.00 C ATOM 1492 C THR A 99 -0.293 1.304 -10.795 1.00 0.00 C ATOM 1493 O THR A 99 0.266 0.377 -10.224 1.00 0.00 O ATOM 1494 CB THR A 99 -0.680 3.671 -10.018 1.00 0.00 C ATOM 1495 OG1 THR A 99 0.724 3.660 -9.777 1.00 0.00 O ATOM 1496 CG2 THR A 99 -1.356 4.493 -8.929 1.00 0.00 C ATOM 0 H THR A 99 -0.707 2.126 -7.956 1.00 0.00 H new ATOM 0 HA THR A 99 -2.222 2.244 -10.494 1.00 0.00 H new ATOM 0 HB THR A 99 -0.879 4.114 -10.994 1.00 0.00 H new ATOM 0 HG1 THR A 99 0.928 3.024 -9.060 1.00 0.00 H new ATOM 0 HG21 THR A 99 -0.954 5.506 -8.936 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.430 4.527 -9.113 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.168 4.035 -7.958 1.00 0.00 H new ATOM 1504 N GLU A 100 -0.098 1.540 -12.079 1.00 0.00 N ATOM 1505 CA GLU A 100 0.821 0.667 -12.872 1.00 0.00 C ATOM 1506 C GLU A 100 2.290 0.783 -12.387 1.00 0.00 C ATOM 1507 O GLU A 100 3.166 0.207 -13.013 1.00 0.00 O ATOM 1508 CB GLU A 100 0.741 1.066 -14.351 1.00 0.00 C ATOM 1509 CG GLU A 100 -0.247 0.149 -15.086 1.00 0.00 C ATOM 1510 CD GLU A 100 0.330 -0.247 -16.449 1.00 0.00 C ATOM 1511 OE1 GLU A 100 1.246 -1.052 -16.470 1.00 0.00 O ATOM 1512 OE2 GLU A 100 -0.156 0.261 -17.446 1.00 0.00 O ATOM 0 H GLU A 100 -0.536 2.297 -12.604 1.00 0.00 H new ATOM 0 HA GLU A 100 0.506 -0.367 -12.736 1.00 0.00 H new ATOM 0 HB2 GLU A 100 0.422 2.105 -14.440 1.00 0.00 H new ATOM 0 HB3 GLU A 100 1.727 0.995 -14.810 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -0.442 -0.743 -14.490 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.201 0.659 -15.219 1.00 0.00 H new ATOM 1519 N VAL A 101 2.588 1.513 -11.302 1.00 0.00 N ATOM 1520 CA VAL A 101 4.001 1.632 -10.843 1.00 0.00 C ATOM 1521 C VAL A 101 4.308 0.612 -9.731 1.00 0.00 C ATOM 1522 O VAL A 101 5.455 0.513 -9.318 1.00 0.00 O ATOM 1523 CB VAL A 101 4.249 3.062 -10.336 1.00 0.00 C ATOM 1524 CG1 VAL A 101 5.710 3.220 -9.904 1.00 0.00 C ATOM 1525 CG2 VAL A 101 3.952 4.051 -11.465 1.00 0.00 C ATOM 0 H VAL A 101 1.905 2.017 -10.736 1.00 0.00 H new ATOM 0 HA VAL A 101 4.664 1.420 -11.682 1.00 0.00 H new ATOM 0 HB VAL A 101 3.599 3.258 -9.483 1.00 0.00 H new ATOM 0 HG11 VAL A 101 5.876 4.236 -9.546 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.931 2.513 -9.104 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.364 3.023 -10.754 1.00 0.00 H new ATOM 0 HG21 VAL A 101 4.126 5.068 -11.113 1.00 0.00 H new ATOM 0 HG22 VAL A 101 4.606 3.844 -12.312 1.00 0.00 H new ATOM 0 HG23 VAL A 101 2.912 3.947 -11.776 1.00 0.00 H new ATOM 1535 N GLU A 102 3.326 -0.152 -9.237 1.00 0.00 N ATOM 1536 CA GLU A 102 3.661 -1.150 -8.150 1.00 0.00 C ATOM 1537 C GLU A 102 2.887 -2.477 -8.295 1.00 0.00 C ATOM 1538 O GLU A 102 3.424 -3.425 -8.848 1.00 0.00 O ATOM 1539 CB GLU A 102 3.422 -0.536 -6.768 1.00 0.00 C ATOM 1540 CG GLU A 102 4.042 -1.439 -5.699 1.00 0.00 C ATOM 1541 CD GLU A 102 5.550 -1.190 -5.630 1.00 0.00 C ATOM 1542 OE1 GLU A 102 6.238 -1.599 -6.549 1.00 0.00 O ATOM 1543 OE2 GLU A 102 5.990 -0.599 -4.658 1.00 0.00 O ATOM 0 H GLU A 102 2.350 -0.125 -9.531 1.00 0.00 H new ATOM 0 HA GLU A 102 4.718 -1.391 -8.259 1.00 0.00 H new ATOM 0 HB2 GLU A 102 3.862 0.460 -6.719 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.353 -0.421 -6.588 1.00 0.00 H new ATOM 0 HG2 GLU A 102 3.585 -1.239 -4.730 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.846 -2.485 -5.934 1.00 0.00 H new ATOM 1550 N CYS A 103 1.664 -2.585 -7.779 1.00 0.00 N ATOM 1551 CA CYS A 103 0.920 -3.892 -7.871 1.00 0.00 C ATOM 1552 C CYS A 103 -0.555 -3.652 -8.266 1.00 0.00 C ATOM 1553 O CYS A 103 -1.456 -4.286 -7.735 1.00 0.00 O ATOM 1554 CB CYS A 103 0.994 -4.588 -6.503 1.00 0.00 C ATOM 1555 SG CYS A 103 2.597 -5.417 -6.339 1.00 0.00 S ATOM 0 H CYS A 103 1.163 -1.832 -7.307 1.00 0.00 H new ATOM 0 HA CYS A 103 1.374 -4.520 -8.638 1.00 0.00 H new ATOM 0 HB2 CYS A 103 0.865 -3.858 -5.703 1.00 0.00 H new ATOM 0 HB3 CYS A 103 0.185 -5.312 -6.406 1.00 0.00 H new ATOM 1560 N ASN A 104 -0.808 -2.732 -9.190 1.00 0.00 N ATOM 1561 CA ASN A 104 -2.211 -2.423 -9.625 1.00 0.00 C ATOM 1562 C ASN A 104 -3.040 -3.712 -9.868 1.00 0.00 C ATOM 1563 O ASN A 104 -3.624 -4.236 -8.938 1.00 0.00 O ATOM 1564 CB ASN A 104 -2.151 -1.562 -10.901 1.00 0.00 C ATOM 1565 CG ASN A 104 -3.553 -1.388 -11.495 1.00 0.00 C ATOM 1566 OD1 ASN A 104 -3.778 -1.770 -12.723 1.00 0.00 O flip ATOM 1567 ND2 ASN A 104 -4.452 -0.915 -10.832 1.00 0.00 N flip ATOM 0 H ASN A 104 -0.089 -2.182 -9.660 1.00 0.00 H new ATOM 0 HA ASN A 104 -2.715 -1.876 -8.828 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -1.724 -0.586 -10.669 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -1.495 -2.032 -11.634 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -4.276 -0.617 -9.873 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -5.384 -0.816 -11.234 1.00 0.00 H new ATOM 1574 N LEU A 105 -3.124 -4.178 -11.116 1.00 0.00 N ATOM 1575 CA LEU A 105 -3.948 -5.384 -11.492 1.00 0.00 C ATOM 1576 C LEU A 105 -5.371 -4.903 -11.784 1.00 0.00 C ATOM 1577 O LEU A 105 -5.888 -5.074 -12.875 1.00 0.00 O ATOM 1578 CB LEU A 105 -3.969 -6.459 -10.385 1.00 0.00 C ATOM 1579 CG LEU A 105 -2.537 -6.743 -9.905 1.00 0.00 C ATOM 1580 CD1 LEU A 105 -2.526 -6.919 -8.384 1.00 0.00 C ATOM 1581 CD2 LEU A 105 -2.021 -8.026 -10.564 1.00 0.00 C ATOM 0 H LEU A 105 -2.637 -3.752 -11.905 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.500 -5.855 -12.367 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.582 -6.121 -9.549 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.423 -7.375 -10.764 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.896 -5.905 -10.179 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.509 -7.120 -8.048 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.891 -6.008 -7.910 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.170 -7.754 -8.110 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.005 -8.227 -10.223 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.667 -8.860 -10.291 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.023 -7.905 -11.647 1.00 0.00 H new ATOM 1593 N ALA A 106 -5.973 -4.279 -10.806 1.00 0.00 N ATOM 1594 CA ALA A 106 -7.362 -3.713 -10.915 1.00 0.00 C ATOM 1595 C ALA A 106 -7.880 -3.510 -9.491 1.00 0.00 C ATOM 1596 O ALA A 106 -7.825 -4.418 -8.676 1.00 0.00 O ATOM 1597 CB ALA A 106 -8.300 -4.672 -11.671 1.00 0.00 C ATOM 0 H ALA A 106 -5.543 -4.130 -9.893 1.00 0.00 H new ATOM 0 HA ALA A 106 -7.336 -2.775 -11.470 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -9.296 -4.234 -11.733 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -7.915 -4.840 -12.677 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -8.354 -5.622 -11.140 1.00 0.00 H new ATOM 1603 N THR A 107 -8.351 -2.323 -9.184 1.00 0.00 N ATOM 1604 CA THR A 107 -8.846 -2.028 -7.803 1.00 0.00 C ATOM 1605 C THR A 107 -10.371 -2.333 -7.769 1.00 0.00 C ATOM 1606 O THR A 107 -10.844 -3.221 -8.453 1.00 0.00 O ATOM 1607 CB THR A 107 -8.573 -0.524 -7.462 1.00 0.00 C ATOM 1608 OG1 THR A 107 -9.619 0.296 -7.967 1.00 0.00 O ATOM 1609 CG2 THR A 107 -7.267 -0.031 -8.109 1.00 0.00 C ATOM 0 H THR A 107 -8.413 -1.542 -9.837 1.00 0.00 H new ATOM 0 HA THR A 107 -8.332 -2.642 -7.063 1.00 0.00 H new ATOM 0 HB THR A 107 -8.506 -0.455 -6.376 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.619 1.155 -7.495 1.00 0.00 H new ATOM 0 HG21 THR A 107 -7.107 1.016 -7.853 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.431 -0.626 -7.741 1.00 0.00 H new ATOM 0 HG23 THR A 107 -7.336 -0.133 -9.192 1.00 0.00 H new ATOM 1617 N ILE A 108 -11.124 -1.579 -6.988 1.00 0.00 N ATOM 1618 CA ILE A 108 -12.609 -1.748 -6.887 1.00 0.00 C ATOM 1619 C ILE A 108 -13.280 -1.603 -8.272 1.00 0.00 C ATOM 1620 O ILE A 108 -14.233 -2.298 -8.582 1.00 0.00 O ATOM 1621 CB ILE A 108 -13.126 -0.632 -5.959 1.00 0.00 C ATOM 1622 CG1 ILE A 108 -14.656 -0.701 -5.833 1.00 0.00 C ATOM 1623 CG2 ILE A 108 -12.719 0.741 -6.532 1.00 0.00 C ATOM 1624 CD1 ILE A 108 -15.059 -2.029 -5.191 1.00 0.00 C ATOM 0 H ILE A 108 -10.752 -0.832 -6.401 1.00 0.00 H new ATOM 0 HA ILE A 108 -12.845 -2.740 -6.502 1.00 0.00 H new ATOM 0 HB ILE A 108 -12.687 -0.766 -4.970 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -15.019 0.131 -5.230 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -15.117 -0.606 -6.816 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -13.084 1.532 -5.876 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -11.633 0.799 -6.600 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -13.152 0.864 -7.525 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -16.144 -2.076 -5.103 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -14.710 -2.854 -5.812 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -14.611 -2.105 -4.200 1.00 0.00 H new ATOM 1636 N HIS A 109 -12.804 -0.675 -9.072 1.00 0.00 N ATOM 1637 CA HIS A 109 -13.412 -0.411 -10.434 1.00 0.00 C ATOM 1638 C HIS A 109 -12.731 -1.261 -11.524 1.00 0.00 C ATOM 1639 O HIS A 109 -12.817 -0.946 -12.701 1.00 0.00 O ATOM 1640 CB HIS A 109 -13.347 1.088 -10.788 1.00 0.00 C ATOM 1641 CG HIS A 109 -12.110 1.713 -10.223 1.00 0.00 C ATOM 1642 ND1 HIS A 109 -10.865 1.376 -10.695 1.00 0.00 N ATOM 1643 CD2 HIS A 109 -11.895 2.575 -9.169 1.00 0.00 C ATOM 1644 CE1 HIS A 109 -9.974 2.008 -9.935 1.00 0.00 C ATOM 1645 NE2 HIS A 109 -10.541 2.747 -8.993 1.00 0.00 N ATOM 0 H HIS A 109 -12.010 -0.078 -8.842 1.00 0.00 H new ATOM 0 HA HIS A 109 -14.461 -0.703 -10.389 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -13.361 1.212 -11.871 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -14.228 1.597 -10.398 1.00 0.00 H new ATOM 0 HD1 HIS A 109 -10.662 0.758 -11.480 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -12.667 3.042 -8.575 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -8.906 1.927 -10.071 1.00 0.00 H new ATOM 1653 N GLY A 110 -12.092 -2.361 -11.143 1.00 0.00 N ATOM 1654 CA GLY A 110 -11.443 -3.273 -12.137 1.00 0.00 C ATOM 1655 C GLY A 110 -10.482 -2.511 -13.060 1.00 0.00 C ATOM 1656 O GLY A 110 -10.708 -2.452 -14.259 1.00 0.00 O ATOM 0 H GLY A 110 -11.998 -2.659 -10.172 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -10.898 -4.057 -11.611 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.210 -3.765 -12.735 1.00 0.00 H new ATOM 1660 N GLY A 111 -9.406 -1.953 -12.527 1.00 0.00 N ATOM 1661 CA GLY A 111 -8.426 -1.223 -13.394 1.00 0.00 C ATOM 1662 C GLY A 111 -7.566 -0.250 -12.562 1.00 0.00 C ATOM 1663 O GLY A 111 -7.806 -0.079 -11.382 1.00 0.00 O ATOM 0 H GLY A 111 -9.172 -1.975 -11.534 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -7.781 -1.940 -13.902 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -8.960 -0.671 -14.167 1.00 0.00 H new ATOM 1667 N PRO A 112 -6.566 0.343 -13.207 1.00 0.00 N ATOM 1668 CA PRO A 112 -5.626 1.282 -12.552 1.00 0.00 C ATOM 1669 C PRO A 112 -6.184 2.720 -12.526 1.00 0.00 C ATOM 1670 O PRO A 112 -5.805 3.547 -13.344 1.00 0.00 O ATOM 1671 CB PRO A 112 -4.385 1.213 -13.458 1.00 0.00 C ATOM 1672 CG PRO A 112 -4.865 0.714 -14.843 1.00 0.00 C ATOM 1673 CD PRO A 112 -6.272 0.125 -14.644 1.00 0.00 C ATOM 0 HA PRO A 112 -5.432 1.022 -11.511 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -3.914 2.192 -13.543 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -3.640 0.536 -13.041 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -4.888 1.533 -15.562 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -4.184 -0.039 -15.239 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -7.004 0.623 -15.279 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -6.298 -0.935 -14.898 1.00 0.00 H new ATOM 1681 N PHE A 113 -7.070 3.029 -11.588 1.00 0.00 N ATOM 1682 CA PHE A 113 -7.644 4.451 -11.528 1.00 0.00 C ATOM 1683 C PHE A 113 -8.750 4.647 -10.448 1.00 0.00 C ATOM 1684 O PHE A 113 -9.928 4.517 -10.749 1.00 0.00 O ATOM 1685 CB PHE A 113 -8.244 4.835 -12.911 1.00 0.00 C ATOM 1686 CG PHE A 113 -9.418 3.932 -13.300 1.00 0.00 C ATOM 1687 CD1 PHE A 113 -9.223 2.573 -13.615 1.00 0.00 C ATOM 1688 CD2 PHE A 113 -10.713 4.472 -13.387 1.00 0.00 C ATOM 1689 CE1 PHE A 113 -10.305 1.779 -14.002 1.00 0.00 C ATOM 1690 CE2 PHE A 113 -11.787 3.669 -13.785 1.00 0.00 C ATOM 1691 CZ PHE A 113 -11.579 2.322 -14.091 1.00 0.00 C ATOM 0 H PHE A 113 -7.418 2.386 -10.877 1.00 0.00 H new ATOM 0 HA PHE A 113 -6.807 5.094 -11.255 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -8.578 5.872 -12.885 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -7.468 4.769 -13.673 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -8.234 2.144 -13.557 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -10.879 5.511 -13.145 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -10.149 0.736 -14.233 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -12.779 4.091 -13.856 1.00 0.00 H new ATOM 0 HZ PHE A 113 -12.410 1.703 -14.397 1.00 0.00 H new ATOM 1701 N CYS A 114 -8.410 5.019 -9.211 1.00 0.00 N ATOM 1702 CA CYS A 114 -9.488 5.248 -8.183 1.00 0.00 C ATOM 1703 C CYS A 114 -9.540 6.720 -7.786 1.00 0.00 C ATOM 1704 O CYS A 114 -8.814 7.544 -8.316 1.00 0.00 O ATOM 1705 CB CYS A 114 -9.267 4.370 -6.938 1.00 0.00 C ATOM 1706 SG CYS A 114 -7.862 4.980 -5.955 1.00 0.00 S ATOM 0 H CYS A 114 -7.455 5.168 -8.885 1.00 0.00 H new ATOM 0 HA CYS A 114 -10.442 4.967 -8.630 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -10.169 4.365 -6.326 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -9.083 3.340 -7.243 1.00 0.00 H new ATOM 1711 N LEU A 115 -10.421 7.040 -6.864 1.00 0.00 N ATOM 1712 CA LEU A 115 -10.587 8.460 -6.404 1.00 0.00 C ATOM 1713 C LEU A 115 -11.169 9.277 -7.566 1.00 0.00 C ATOM 1714 O LEU A 115 -10.881 10.452 -7.731 1.00 0.00 O ATOM 1715 CB LEU A 115 -9.224 9.036 -5.966 1.00 0.00 C ATOM 1716 CG LEU A 115 -9.209 9.279 -4.448 1.00 0.00 C ATOM 1717 CD1 LEU A 115 -10.319 10.263 -4.065 1.00 0.00 C ATOM 1718 CD2 LEU A 115 -9.428 7.953 -3.711 1.00 0.00 C ATOM 0 H LEU A 115 -11.039 6.370 -6.406 1.00 0.00 H new ATOM 0 HA LEU A 115 -11.261 8.504 -5.549 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -8.426 8.346 -6.238 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -9.031 9.971 -6.492 1.00 0.00 H new ATOM 0 HG LEU A 115 -8.243 9.698 -4.166 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -10.302 10.430 -2.988 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -10.160 11.210 -4.581 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -11.286 9.851 -4.353 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -9.417 8.128 -2.635 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -10.391 7.531 -4.000 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -8.633 7.255 -3.973 1.00 0.00 H new ATOM 1730 N SER A 116 -11.996 8.637 -8.365 1.00 0.00 N ATOM 1731 CA SER A 116 -12.637 9.307 -9.533 1.00 0.00 C ATOM 1732 C SER A 116 -13.822 8.428 -9.988 1.00 0.00 C ATOM 1733 O SER A 116 -14.570 7.961 -9.151 1.00 0.00 O ATOM 1734 CB SER A 116 -11.590 9.474 -10.643 1.00 0.00 C ATOM 1735 OG SER A 116 -11.193 8.192 -11.114 1.00 0.00 O ATOM 0 H SER A 116 -12.255 7.657 -8.248 1.00 0.00 H new ATOM 0 HA SER A 116 -13.012 10.298 -9.277 1.00 0.00 H new ATOM 0 HB2 SER A 116 -12.003 10.063 -11.462 1.00 0.00 H new ATOM 0 HB3 SER A 116 -10.725 10.018 -10.264 1.00 0.00 H new ATOM 0 HG SER A 116 -10.526 8.297 -11.824 1.00 0.00 H new ATOM 1741 N LEU A 117 -14.001 8.201 -11.282 1.00 0.00 N ATOM 1742 CA LEU A 117 -15.136 7.356 -11.783 1.00 0.00 C ATOM 1743 C LEU A 117 -16.484 8.091 -11.506 1.00 0.00 C ATOM 1744 O LEU A 117 -16.684 9.183 -12.006 1.00 0.00 O ATOM 1745 CB LEU A 117 -15.090 5.963 -11.120 1.00 0.00 C ATOM 1746 CG LEU A 117 -13.926 5.150 -11.703 1.00 0.00 C ATOM 1747 CD1 LEU A 117 -12.759 5.115 -10.712 1.00 0.00 C ATOM 1748 CD2 LEU A 117 -14.388 3.720 -11.970 1.00 0.00 C ATOM 0 H LEU A 117 -13.397 8.574 -12.015 1.00 0.00 H new ATOM 0 HA LEU A 117 -15.047 7.206 -12.859 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -14.969 6.067 -10.042 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -16.031 5.439 -11.287 1.00 0.00 H new ATOM 0 HG LEU A 117 -13.600 5.619 -12.632 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -11.939 4.536 -11.136 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -12.420 6.132 -10.513 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -13.086 4.653 -9.781 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -13.562 3.142 -12.384 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -14.718 3.264 -11.037 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -15.215 3.731 -12.680 1.00 0.00 H new ATOM 1760 N LEU A 118 -17.404 7.512 -10.722 1.00 0.00 N ATOM 1761 CA LEU A 118 -18.733 8.172 -10.399 1.00 0.00 C ATOM 1762 C LEU A 118 -19.724 8.256 -11.585 1.00 0.00 C ATOM 1763 O LEU A 118 -20.905 8.476 -11.360 1.00 0.00 O ATOM 1764 CB LEU A 118 -18.522 9.579 -9.822 1.00 0.00 C ATOM 1765 CG LEU A 118 -18.252 9.492 -8.318 1.00 0.00 C ATOM 1766 CD1 LEU A 118 -16.811 9.062 -8.077 1.00 0.00 C ATOM 1767 CD2 LEU A 118 -18.477 10.865 -7.683 1.00 0.00 C ATOM 0 H LEU A 118 -17.280 6.596 -10.290 1.00 0.00 H new ATOM 0 HA LEU A 118 -19.190 7.514 -9.659 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -17.685 10.065 -10.323 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -19.403 10.193 -10.007 1.00 0.00 H new ATOM 0 HG LEU A 118 -18.928 8.762 -7.874 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -16.624 9.002 -7.005 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -16.642 8.085 -8.530 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -16.134 9.791 -8.523 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -18.285 10.806 -6.612 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -17.799 11.590 -8.134 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -19.507 11.179 -7.851 1.00 0.00 H new ATOM 1779 N GLY A 119 -19.285 8.093 -12.813 1.00 0.00 N ATOM 1780 CA GLY A 119 -20.214 8.172 -13.987 1.00 0.00 C ATOM 1781 C GLY A 119 -19.521 7.588 -15.219 1.00 0.00 C ATOM 1782 O GLY A 119 -19.294 6.392 -15.298 1.00 0.00 O ATOM 0 H GLY A 119 -18.311 7.907 -13.053 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -21.132 7.623 -13.777 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -20.498 9.208 -14.172 1.00 0.00 H new ATOM 1786 N ALA A 120 -19.182 8.432 -16.173 1.00 0.00 N ATOM 1787 CA ALA A 120 -18.501 7.978 -17.405 1.00 0.00 C ATOM 1788 C ALA A 120 -17.269 8.878 -17.602 1.00 0.00 C ATOM 1789 O ALA A 120 -16.585 9.186 -16.639 1.00 0.00 O ATOM 1790 CB ALA A 120 -19.507 8.071 -18.566 1.00 0.00 C ATOM 0 H ALA A 120 -19.359 9.436 -16.135 1.00 0.00 H new ATOM 0 HA ALA A 120 -18.161 6.944 -17.351 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -19.029 7.741 -19.489 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -20.366 7.435 -18.355 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -19.839 9.103 -18.678 1.00 0.00 H new ATOM 1796 N GLY A 121 -16.970 9.292 -18.815 1.00 0.00 N ATOM 1797 CA GLY A 121 -15.773 10.161 -19.070 1.00 0.00 C ATOM 1798 C GLY A 121 -14.513 9.520 -18.470 1.00 0.00 C ATOM 1799 O GLY A 121 -13.546 10.208 -18.189 1.00 0.00 O ATOM 0 H GLY A 121 -17.512 9.061 -19.648 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -15.641 10.305 -20.142 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -15.931 11.147 -18.633 1.00 0.00 H new ATOM 1803 N GLU A 122 -14.527 8.212 -18.271 1.00 0.00 N ATOM 1804 CA GLU A 122 -13.343 7.503 -17.685 1.00 0.00 C ATOM 1805 C GLU A 122 -13.084 8.020 -16.265 1.00 0.00 C ATOM 1806 O GLU A 122 -12.658 9.156 -16.135 1.00 0.00 O ATOM 1807 CB GLU A 122 -12.104 7.749 -18.556 1.00 0.00 C ATOM 1808 CG GLU A 122 -10.924 6.939 -18.013 1.00 0.00 C ATOM 1809 CD GLU A 122 -10.117 7.800 -17.039 1.00 0.00 C ATOM 1810 OE1 GLU A 122 -9.319 8.596 -17.506 1.00 0.00 O ATOM 1811 OE2 GLU A 122 -10.313 7.649 -15.844 1.00 0.00 O ATOM 1812 OXT GLU A 122 -13.314 7.267 -15.333 1.00 0.00 O ATOM 0 H GLU A 122 -15.317 7.607 -18.494 1.00 0.00 H new ATOM 0 HA GLU A 122 -13.549 6.433 -17.649 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -12.310 7.463 -19.588 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -11.857 8.811 -18.563 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -11.286 6.043 -17.509 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -10.288 6.608 -18.834 1.00 0.00 H new TER 1819 GLU A 122