USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 660 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 27 LYS NZ :NH3+ -107:sc= -5.88! (180deg=-0.875) USER MOD Set 1.2: A 84 MET CE :methyl -145:sc= -21.2! (180deg=-13.3!) USER MOD Set 2.1: A 4 ASN : amide:sc= -4.55! X(o=-25!,f=-25) USER MOD Set 2.2: A 62 ASN : amide:sc= -20.8! C(o=-25!,f=-31!) USER MOD Set 3.1: A 9 THR OG1 : rot -160:sc= 0 USER MOD Set 3.2: A 16 CYS SG : rot 9:sc= -8.8! USER MOD Single : A 1 MET CE :methyl 152:sc= -7.83! (180deg=-10.6!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 120:sc= -1.77 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= -3.67! USER MOD Single : A 15 TYR OH : rot -42:sc= 0.00188 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 174:sc= -4.5! (180deg=-4.57!) USER MOD Single : A 47 LYS NZ :NH3+ -175:sc= -3.61! (180deg=-4.33!) USER MOD Single : A 51 TYR OH : rot 18:sc= -4.85! USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 60:sc= -6.47! USER MOD Single : A 81 ASN : amide:sc= -4.08! C(o=-4.1!,f=-6.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.926 -3.026 9.580 1.00 0.00 N ATOM 2 CA MET A 1 -10.853 -2.791 8.571 1.00 0.00 C ATOM 3 C MET A 1 -11.034 -3.732 7.376 1.00 0.00 C ATOM 4 O MET A 1 -10.590 -4.863 7.390 1.00 0.00 O ATOM 5 CB MET A 1 -9.551 -3.099 9.300 1.00 0.00 C ATOM 6 CG MET A 1 -8.362 -2.737 8.406 1.00 0.00 C ATOM 7 SD MET A 1 -6.963 -2.224 9.440 1.00 0.00 S ATOM 8 CE MET A 1 -7.312 -3.308 10.855 1.00 0.00 C ATOM 0 H1 MET A 1 -11.792 -2.382 10.385 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.855 -2.850 9.146 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.880 -4.010 9.913 1.00 0.00 H new ATOM 0 HA MET A 1 -10.871 -1.774 8.180 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.503 -2.536 10.232 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.512 -4.156 9.564 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.080 -3.593 7.793 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.638 -1.933 7.724 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.381 -3.543 11.372 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.991 -2.803 11.542 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.773 -4.230 10.502 1.00 0.00 H new ATOM 20 N VAL A 2 -11.684 -3.272 6.348 1.00 0.00 N ATOM 21 CA VAL A 2 -11.895 -4.134 5.152 1.00 0.00 C ATOM 22 C VAL A 2 -10.736 -3.970 4.163 1.00 0.00 C ATOM 23 O VAL A 2 -9.749 -4.670 4.220 1.00 0.00 O ATOM 24 CB VAL A 2 -13.197 -3.643 4.514 1.00 0.00 C ATOM 25 CG1 VAL A 2 -13.271 -2.114 4.618 1.00 0.00 C ATOM 26 CG2 VAL A 2 -13.218 -4.060 3.038 1.00 0.00 C ATOM 0 H VAL A 2 -12.080 -2.334 6.282 1.00 0.00 H new ATOM 0 HA VAL A 2 -11.945 -5.188 5.423 1.00 0.00 H new ATOM 0 HB VAL A 2 -14.051 -4.080 5.031 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -14.198 -1.763 4.164 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -13.246 -1.819 5.667 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -12.422 -1.672 4.097 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.142 -3.714 2.575 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -12.366 -3.616 2.522 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -13.160 -5.146 2.966 1.00 0.00 H new ATOM 36 N VAL A 3 -10.879 -3.054 3.241 1.00 0.00 N ATOM 37 CA VAL A 3 -9.825 -2.826 2.234 1.00 0.00 C ATOM 38 C VAL A 3 -8.841 -1.760 2.715 1.00 0.00 C ATOM 39 O VAL A 3 -9.181 -0.597 2.781 1.00 0.00 O ATOM 40 CB VAL A 3 -10.592 -2.354 1.005 1.00 0.00 C ATOM 41 CG1 VAL A 3 -9.616 -1.898 -0.069 1.00 0.00 C ATOM 42 CG2 VAL A 3 -11.442 -3.500 0.470 1.00 0.00 C ATOM 0 H VAL A 3 -11.696 -2.451 3.150 1.00 0.00 H new ATOM 0 HA VAL A 3 -9.227 -3.715 2.035 1.00 0.00 H new ATOM 0 HB VAL A 3 -11.236 -1.518 1.280 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -10.170 -1.562 -0.945 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.011 -1.077 0.315 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -8.967 -2.728 -0.347 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -11.992 -3.165 -0.409 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.797 -4.335 0.198 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -12.146 -3.820 1.238 1.00 0.00 H new ATOM 52 N ASN A 4 -7.621 -2.128 3.000 1.00 0.00 N ATOM 53 CA ASN A 4 -6.624 -1.095 3.424 1.00 0.00 C ATOM 54 C ASN A 4 -5.391 -1.220 2.530 1.00 0.00 C ATOM 55 O ASN A 4 -4.684 -2.192 2.553 1.00 0.00 O ATOM 56 CB ASN A 4 -6.298 -1.488 4.867 1.00 0.00 C ATOM 57 CG ASN A 4 -7.220 -0.741 5.825 1.00 0.00 C ATOM 58 OD1 ASN A 4 -6.761 -0.009 6.677 1.00 0.00 O ATOM 59 ND2 ASN A 4 -8.510 -0.895 5.718 1.00 0.00 N ATOM 0 H ASN A 4 -7.272 -3.085 2.960 1.00 0.00 H new ATOM 0 HA ASN A 4 -6.978 -0.067 3.350 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -6.417 -2.564 4.997 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -5.257 -1.253 5.092 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -9.137 -0.399 6.352 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -8.892 -1.511 5.001 1.00 0.00 H new ATOM 66 N ILE A 5 -5.149 -0.223 1.736 1.00 0.00 N ATOM 67 CA ILE A 5 -3.975 -0.219 0.827 1.00 0.00 C ATOM 68 C ILE A 5 -3.231 1.107 0.887 1.00 0.00 C ATOM 69 O ILE A 5 -3.866 2.136 0.764 1.00 0.00 O ATOM 70 CB ILE A 5 -4.524 -0.540 -0.549 1.00 0.00 C ATOM 71 CG1 ILE A 5 -5.940 -1.109 -0.394 1.00 0.00 C ATOM 72 CG2 ILE A 5 -3.632 -1.585 -1.227 1.00 0.00 C ATOM 73 CD1 ILE A 5 -6.348 -1.841 -1.670 1.00 0.00 C ATOM 0 H ILE A 5 -5.731 0.612 1.677 1.00 0.00 H new ATOM 0 HA ILE A 5 -3.228 -0.958 1.115 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.547 0.364 -1.158 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.976 -1.792 0.455 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.644 -0.304 -0.185 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -4.028 -1.815 -2.216 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.620 -1.192 -1.324 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -3.613 -2.493 -0.624 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.355 -2.243 -1.553 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.330 -1.146 -2.510 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.651 -2.658 -1.860 1.00 0.00 H new ATOM 85 N GLU A 6 -1.943 1.129 0.989 1.00 0.00 N ATOM 86 CA GLU A 6 -1.299 2.451 0.960 1.00 0.00 C ATOM 87 C GLU A 6 -0.192 2.455 -0.094 1.00 0.00 C ATOM 88 O GLU A 6 0.872 1.887 0.045 1.00 0.00 O ATOM 89 CB GLU A 6 -0.642 2.555 2.361 1.00 0.00 C ATOM 90 CG GLU A 6 -0.199 3.997 2.641 1.00 0.00 C ATOM 91 CD GLU A 6 1.105 4.288 1.890 1.00 0.00 C ATOM 92 OE1 GLU A 6 1.055 4.419 0.686 1.00 0.00 O ATOM 93 OE2 GLU A 6 2.130 4.382 2.535 1.00 0.00 O ATOM 0 H GLU A 6 -1.328 0.321 1.088 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.992 3.261 0.732 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.348 2.230 3.125 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.217 1.887 2.417 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.975 4.694 2.326 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -0.054 4.143 3.712 1.00 0.00 H new ATOM 100 N VAL A 7 -0.411 3.182 -1.152 1.00 0.00 N ATOM 101 CA VAL A 7 0.584 3.213 -2.259 1.00 0.00 C ATOM 102 C VAL A 7 1.417 4.468 -2.117 1.00 0.00 C ATOM 103 O VAL A 7 1.030 5.571 -2.404 1.00 0.00 O ATOM 104 CB VAL A 7 -0.268 3.336 -3.554 1.00 0.00 C ATOM 105 CG1 VAL A 7 -1.207 2.144 -3.691 1.00 0.00 C ATOM 106 CG2 VAL A 7 -1.106 4.624 -3.514 1.00 0.00 C ATOM 0 H VAL A 7 -1.239 3.759 -1.299 1.00 0.00 H new ATOM 0 HA VAL A 7 1.238 2.341 -2.264 1.00 0.00 H new ATOM 0 HB VAL A 7 0.412 3.362 -4.406 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.795 2.247 -4.603 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.623 1.225 -3.738 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.875 2.106 -2.831 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.699 4.701 -4.425 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.770 4.599 -2.650 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.444 5.487 -3.438 1.00 0.00 H new ATOM 116 N PHE A 8 2.607 4.275 -1.569 1.00 0.00 N ATOM 117 CA PHE A 8 3.508 5.424 -1.332 1.00 0.00 C ATOM 118 C PHE A 8 4.781 5.259 -2.165 1.00 0.00 C ATOM 119 O PHE A 8 5.735 4.627 -1.750 1.00 0.00 O ATOM 120 CB PHE A 8 3.815 5.376 0.168 1.00 0.00 C ATOM 121 CG PHE A 8 5.268 5.701 0.422 1.00 0.00 C ATOM 122 CD1 PHE A 8 5.683 7.032 0.509 1.00 0.00 C ATOM 123 CD2 PHE A 8 6.203 4.667 0.573 1.00 0.00 C ATOM 124 CE1 PHE A 8 7.029 7.335 0.750 1.00 0.00 C ATOM 125 CE2 PHE A 8 7.551 4.976 0.811 1.00 0.00 C ATOM 126 CZ PHE A 8 7.962 6.307 0.902 1.00 0.00 C ATOM 0 H PHE A 8 2.976 3.368 -1.283 1.00 0.00 H new ATOM 0 HA PHE A 8 3.067 6.379 -1.618 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.180 6.086 0.698 1.00 0.00 H new ATOM 0 HB3 PHE A 8 3.584 4.386 0.561 1.00 0.00 H new ATOM 0 HD1 PHE A 8 4.964 7.829 0.390 1.00 0.00 H new ATOM 0 HD2 PHE A 8 5.887 3.636 0.506 1.00 0.00 H new ATOM 0 HE1 PHE A 8 7.346 8.365 0.818 1.00 0.00 H new ATOM 0 HE2 PHE A 8 8.273 4.181 0.924 1.00 0.00 H new ATOM 0 HZ PHE A 8 8.999 6.541 1.090 1.00 0.00 H new ATOM 136 N THR A 9 4.819 5.846 -3.318 1.00 0.00 N ATOM 137 CA THR A 9 6.035 5.738 -4.173 1.00 0.00 C ATOM 138 C THR A 9 6.596 7.126 -4.442 1.00 0.00 C ATOM 139 O THR A 9 7.538 7.542 -3.814 1.00 0.00 O ATOM 140 CB THR A 9 5.552 5.080 -5.472 1.00 0.00 C ATOM 141 OG1 THR A 9 4.878 3.865 -5.168 1.00 0.00 O ATOM 142 CG2 THR A 9 6.750 4.789 -6.378 1.00 0.00 C ATOM 0 H THR A 9 4.059 6.400 -3.713 1.00 0.00 H new ATOM 0 HA THR A 9 6.830 5.158 -3.704 1.00 0.00 H new ATOM 0 HB THR A 9 4.868 5.755 -5.986 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.851 3.297 -5.966 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.404 4.322 -7.300 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.263 5.722 -6.614 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.438 4.116 -5.866 1.00 0.00 H new ATOM 150 N SER A 10 6.024 7.848 -5.369 1.00 0.00 N ATOM 151 CA SER A 10 6.541 9.211 -5.661 1.00 0.00 C ATOM 152 C SER A 10 5.736 9.870 -6.782 1.00 0.00 C ATOM 153 O SER A 10 5.136 9.200 -7.598 1.00 0.00 O ATOM 154 CB SER A 10 7.992 9.013 -6.093 1.00 0.00 C ATOM 155 OG SER A 10 8.796 10.032 -5.514 1.00 0.00 O ATOM 0 H SER A 10 5.226 7.553 -5.932 1.00 0.00 H new ATOM 0 HA SER A 10 6.460 9.864 -4.792 1.00 0.00 H new ATOM 0 HB2 SER A 10 8.347 8.031 -5.779 1.00 0.00 H new ATOM 0 HB3 SER A 10 8.068 9.047 -7.180 1.00 0.00 H new ATOM 0 HG SER A 10 9.481 9.624 -4.944 1.00 0.00 H new ATOM 161 N PRO A 11 5.756 11.180 -6.778 1.00 0.00 N ATOM 162 CA PRO A 11 5.016 11.964 -7.802 1.00 0.00 C ATOM 163 C PRO A 11 5.733 11.895 -9.148 1.00 0.00 C ATOM 164 O PRO A 11 5.191 12.264 -10.170 1.00 0.00 O ATOM 165 CB PRO A 11 5.037 13.385 -7.248 1.00 0.00 C ATOM 166 CG PRO A 11 6.237 13.437 -6.356 1.00 0.00 C ATOM 167 CD PRO A 11 6.464 12.048 -5.825 1.00 0.00 C ATOM 0 HA PRO A 11 4.006 11.594 -7.977 1.00 0.00 H new ATOM 0 HB2 PRO A 11 5.109 14.120 -8.050 1.00 0.00 H new ATOM 0 HB3 PRO A 11 4.124 13.606 -6.695 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.110 13.784 -6.908 1.00 0.00 H new ATOM 0 HG3 PRO A 11 6.077 14.139 -5.538 1.00 0.00 H new ATOM 0 HD2 PRO A 11 7.526 11.807 -5.779 1.00 0.00 H new ATOM 0 HD3 PRO A 11 6.069 11.938 -4.815 1.00 0.00 H new ATOM 175 N THR A 12 6.944 11.421 -9.164 1.00 0.00 N ATOM 176 CA THR A 12 7.679 11.329 -10.460 1.00 0.00 C ATOM 177 C THR A 12 7.213 10.093 -11.236 1.00 0.00 C ATOM 178 O THR A 12 7.716 9.785 -12.298 1.00 0.00 O ATOM 179 CB THR A 12 9.163 11.176 -10.048 1.00 0.00 C ATOM 180 OG1 THR A 12 9.974 11.927 -10.940 1.00 0.00 O ATOM 181 CG2 THR A 12 9.579 9.703 -10.094 1.00 0.00 C ATOM 0 H THR A 12 7.457 11.095 -8.345 1.00 0.00 H new ATOM 0 HA THR A 12 7.513 12.193 -11.103 1.00 0.00 H new ATOM 0 HB THR A 12 9.291 11.544 -9.030 1.00 0.00 H new ATOM 0 HG1 THR A 12 10.915 11.835 -10.683 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.625 9.611 -9.802 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.958 9.128 -9.407 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.450 9.320 -11.106 1.00 0.00 H new ATOM 189 N CYS A 13 6.283 9.360 -10.679 1.00 0.00 N ATOM 190 CA CYS A 13 5.766 8.146 -11.361 1.00 0.00 C ATOM 191 C CYS A 13 4.370 7.797 -10.831 1.00 0.00 C ATOM 192 O CYS A 13 3.818 8.502 -10.011 1.00 0.00 O ATOM 193 CB CYS A 13 6.804 7.076 -11.119 1.00 0.00 C ATOM 194 SG CYS A 13 7.412 6.451 -12.713 1.00 0.00 S ATOM 0 H CYS A 13 5.859 9.556 -9.772 1.00 0.00 H new ATOM 0 HA CYS A 13 5.627 8.278 -12.434 1.00 0.00 H new ATOM 0 HB2 CYS A 13 7.631 7.482 -10.536 1.00 0.00 H new ATOM 0 HB3 CYS A 13 6.373 6.261 -10.537 1.00 0.00 H new ATOM 0 HG CYS A 13 8.307 5.531 -12.506 1.00 0.00 H new ATOM 200 N PRO A 14 3.908 6.633 -11.220 1.00 0.00 N ATOM 201 CA PRO A 14 2.628 6.114 -10.709 1.00 0.00 C ATOM 202 C PRO A 14 2.829 5.399 -9.364 1.00 0.00 C ATOM 203 O PRO A 14 3.522 4.407 -9.280 1.00 0.00 O ATOM 204 CB PRO A 14 2.206 5.118 -11.779 1.00 0.00 C ATOM 205 CG PRO A 14 3.475 4.671 -12.444 1.00 0.00 C ATOM 206 CD PRO A 14 4.534 5.704 -12.168 1.00 0.00 C ATOM 0 HA PRO A 14 1.891 6.897 -10.531 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.676 4.273 -11.340 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.529 5.580 -12.498 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.783 3.698 -12.062 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.323 4.558 -13.517 1.00 0.00 H new ATOM 0 HD2 PRO A 14 5.430 5.250 -11.745 1.00 0.00 H new ATOM 0 HD3 PRO A 14 4.837 6.215 -13.082 1.00 0.00 H new ATOM 214 N TYR A 15 2.216 5.889 -8.323 1.00 0.00 N ATOM 215 CA TYR A 15 2.362 5.229 -6.990 1.00 0.00 C ATOM 216 C TYR A 15 2.102 3.725 -7.125 1.00 0.00 C ATOM 217 O TYR A 15 2.842 3.018 -7.777 1.00 0.00 O ATOM 218 CB TYR A 15 1.304 5.889 -6.100 1.00 0.00 C ATOM 219 CG TYR A 15 1.295 7.379 -6.330 1.00 0.00 C ATOM 220 CD1 TYR A 15 2.481 8.041 -6.682 1.00 0.00 C ATOM 221 CD2 TYR A 15 0.102 8.100 -6.202 1.00 0.00 C ATOM 222 CE1 TYR A 15 2.470 9.421 -6.905 1.00 0.00 C ATOM 223 CE2 TYR A 15 0.094 9.484 -6.425 1.00 0.00 C ATOM 224 CZ TYR A 15 1.280 10.144 -6.776 1.00 0.00 C ATOM 225 OH TYR A 15 1.276 11.506 -6.986 1.00 0.00 O ATOM 0 H TYR A 15 1.620 6.717 -8.335 1.00 0.00 H new ATOM 0 HA TYR A 15 3.363 5.343 -6.573 1.00 0.00 H new ATOM 0 HB2 TYR A 15 0.321 5.473 -6.320 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.514 5.676 -5.052 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.402 7.485 -6.781 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.811 7.591 -5.932 1.00 0.00 H new ATOM 0 HE1 TYR A 15 3.383 9.930 -7.178 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -0.826 10.042 -6.326 1.00 0.00 H new ATOM 0 HH TYR A 15 2.073 11.903 -6.576 1.00 0.00 H new ATOM 235 N CYS A 16 1.052 3.234 -6.529 1.00 0.00 N ATOM 236 CA CYS A 16 0.732 1.779 -6.640 1.00 0.00 C ATOM 237 C CYS A 16 -0.768 1.546 -6.428 1.00 0.00 C ATOM 238 O CYS A 16 -1.163 0.592 -5.784 1.00 0.00 O ATOM 239 CB CYS A 16 1.538 1.117 -5.525 1.00 0.00 C ATOM 240 SG CYS A 16 3.262 0.967 -6.051 1.00 0.00 S ATOM 0 H CYS A 16 0.397 3.778 -5.967 1.00 0.00 H new ATOM 0 HA CYS A 16 0.978 1.375 -7.622 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.473 1.709 -4.612 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.127 0.133 -5.297 1.00 0.00 H new ATOM 0 HG CYS A 16 3.434 1.616 -7.164 1.00 0.00 H new ATOM 246 N PRO A 17 -1.564 2.435 -6.977 1.00 0.00 N ATOM 247 CA PRO A 17 -3.038 2.331 -6.840 1.00 0.00 C ATOM 248 C PRO A 17 -3.604 1.237 -7.754 1.00 0.00 C ATOM 249 O PRO A 17 -4.742 1.305 -8.178 1.00 0.00 O ATOM 250 CB PRO A 17 -3.532 3.700 -7.295 1.00 0.00 C ATOM 251 CG PRO A 17 -2.465 4.208 -8.213 1.00 0.00 C ATOM 252 CD PRO A 17 -1.167 3.603 -7.766 1.00 0.00 C ATOM 0 HA PRO A 17 -3.346 2.070 -5.828 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.491 3.624 -7.808 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.676 4.370 -6.447 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -2.682 3.932 -9.245 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.414 5.296 -8.178 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.548 3.317 -8.616 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.585 4.306 -7.170 1.00 0.00 H new ATOM 260 N MET A 18 -2.828 0.240 -8.074 1.00 0.00 N ATOM 261 CA MET A 18 -3.339 -0.834 -8.974 1.00 0.00 C ATOM 262 C MET A 18 -3.530 -2.136 -8.201 1.00 0.00 C ATOM 263 O MET A 18 -4.628 -2.641 -8.086 1.00 0.00 O ATOM 264 CB MET A 18 -2.260 -0.994 -10.046 1.00 0.00 C ATOM 265 CG MET A 18 -2.232 -2.446 -10.535 1.00 0.00 C ATOM 266 SD MET A 18 -3.597 -2.734 -11.679 1.00 0.00 S ATOM 267 CE MET A 18 -2.592 -3.093 -13.137 1.00 0.00 C ATOM 0 H MET A 18 -1.867 0.121 -7.754 1.00 0.00 H new ATOM 0 HA MET A 18 -4.309 -0.584 -9.404 1.00 0.00 H new ATOM 0 HB2 MET A 18 -2.460 -0.322 -10.881 1.00 0.00 H new ATOM 0 HB3 MET A 18 -1.287 -0.717 -9.641 1.00 0.00 H new ATOM 0 HG2 MET A 18 -1.283 -2.655 -11.028 1.00 0.00 H new ATOM 0 HG3 MET A 18 -2.307 -3.126 -9.687 1.00 0.00 H new ATOM 0 HE1 MET A 18 -3.243 -3.305 -13.985 1.00 0.00 H new ATOM 0 HE2 MET A 18 -1.965 -2.232 -13.368 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.960 -3.959 -12.939 1.00 0.00 H new ATOM 277 N ALA A 19 -2.471 -2.696 -7.681 1.00 0.00 N ATOM 278 CA ALA A 19 -2.610 -3.974 -6.929 1.00 0.00 C ATOM 279 C ALA A 19 -3.647 -3.802 -5.837 1.00 0.00 C ATOM 280 O ALA A 19 -4.233 -4.754 -5.376 1.00 0.00 O ATOM 281 CB ALA A 19 -1.242 -4.234 -6.327 1.00 0.00 C ATOM 0 H ALA A 19 -1.522 -2.326 -7.744 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.931 -4.801 -7.562 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.266 -5.162 -5.756 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.504 -4.318 -7.124 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.972 -3.409 -5.667 1.00 0.00 H new ATOM 287 N ILE A 20 -3.903 -2.585 -5.445 1.00 0.00 N ATOM 288 CA ILE A 20 -4.928 -2.339 -4.399 1.00 0.00 C ATOM 289 C ILE A 20 -6.302 -2.708 -4.946 1.00 0.00 C ATOM 290 O ILE A 20 -7.102 -3.329 -4.281 1.00 0.00 O ATOM 291 CB ILE A 20 -4.848 -0.838 -4.097 1.00 0.00 C ATOM 292 CG1 ILE A 20 -5.657 -0.061 -5.134 1.00 0.00 C ATOM 293 CG2 ILE A 20 -3.388 -0.384 -4.135 1.00 0.00 C ATOM 294 CD1 ILE A 20 -5.462 1.437 -4.926 1.00 0.00 C ATOM 0 H ILE A 20 -3.444 -1.749 -5.807 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.763 -2.932 -3.500 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.258 -0.647 -3.105 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.342 -0.342 -6.139 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.714 -0.315 -5.049 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.333 0.683 -3.920 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.816 -0.934 -3.388 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.973 -0.577 -5.124 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.041 1.986 -5.668 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.799 1.712 -3.927 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.406 1.685 -5.034 1.00 0.00 H new ATOM 306 N GLU A 21 -6.563 -2.342 -6.173 1.00 0.00 N ATOM 307 CA GLU A 21 -7.866 -2.684 -6.790 1.00 0.00 C ATOM 308 C GLU A 21 -8.081 -4.193 -6.675 1.00 0.00 C ATOM 309 O GLU A 21 -9.184 -4.665 -6.493 1.00 0.00 O ATOM 310 CB GLU A 21 -7.738 -2.253 -8.251 1.00 0.00 C ATOM 311 CG GLU A 21 -9.030 -2.587 -9.001 1.00 0.00 C ATOM 312 CD GLU A 21 -8.745 -3.652 -10.063 1.00 0.00 C ATOM 313 OE1 GLU A 21 -7.582 -3.857 -10.374 1.00 0.00 O ATOM 314 OE2 GLU A 21 -9.694 -4.243 -10.546 1.00 0.00 O ATOM 0 H GLU A 21 -5.924 -1.819 -6.772 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.714 -2.195 -6.311 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.539 -1.183 -8.309 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.893 -2.760 -8.717 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.785 -2.948 -8.303 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.433 -1.689 -9.470 1.00 0.00 H new ATOM 321 N VAL A 22 -7.018 -4.950 -6.755 1.00 0.00 N ATOM 322 CA VAL A 22 -7.141 -6.429 -6.621 1.00 0.00 C ATOM 323 C VAL A 22 -7.453 -6.775 -5.163 1.00 0.00 C ATOM 324 O VAL A 22 -8.278 -7.607 -4.869 1.00 0.00 O ATOM 325 CB VAL A 22 -5.779 -6.985 -7.037 1.00 0.00 C ATOM 326 CG1 VAL A 22 -5.644 -8.430 -6.546 1.00 0.00 C ATOM 327 CG2 VAL A 22 -5.660 -6.952 -8.563 1.00 0.00 C ATOM 0 H VAL A 22 -6.070 -4.606 -6.907 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.940 -6.847 -7.234 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.989 -6.377 -6.597 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.673 -8.826 -6.843 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.729 -8.455 -5.460 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.434 -9.039 -6.986 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.689 -7.348 -8.861 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.451 -7.560 -9.003 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.755 -5.924 -8.913 1.00 0.00 H new ATOM 337 N VAL A 23 -6.802 -6.106 -4.260 1.00 0.00 N ATOM 338 CA VAL A 23 -7.053 -6.331 -2.812 1.00 0.00 C ATOM 339 C VAL A 23 -8.446 -5.825 -2.456 1.00 0.00 C ATOM 340 O VAL A 23 -9.077 -6.295 -1.536 1.00 0.00 O ATOM 341 CB VAL A 23 -5.963 -5.571 -2.065 1.00 0.00 C ATOM 342 CG1 VAL A 23 -5.538 -6.386 -0.848 1.00 0.00 C ATOM 343 CG2 VAL A 23 -4.761 -5.366 -2.984 1.00 0.00 C ATOM 0 H VAL A 23 -6.094 -5.401 -4.466 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.021 -7.387 -2.543 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.342 -4.600 -1.747 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.758 -5.851 -0.306 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.396 -6.537 -0.193 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.155 -7.353 -1.173 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.982 -4.822 -2.449 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.375 -6.335 -3.300 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.066 -4.794 -3.860 1.00 0.00 H new ATOM 353 N ASP A 24 -8.898 -4.825 -3.160 1.00 0.00 N ATOM 354 CA ASP A 24 -10.234 -4.249 -2.881 1.00 0.00 C ATOM 355 C ASP A 24 -11.279 -5.218 -3.395 1.00 0.00 C ATOM 356 O ASP A 24 -12.313 -5.422 -2.802 1.00 0.00 O ATOM 357 CB ASP A 24 -10.277 -2.932 -3.653 1.00 0.00 C ATOM 358 CG ASP A 24 -11.308 -2.007 -3.023 1.00 0.00 C ATOM 359 OD1 ASP A 24 -12.468 -2.382 -2.996 1.00 0.00 O ATOM 360 OD2 ASP A 24 -10.924 -0.938 -2.577 1.00 0.00 O ATOM 0 H ASP A 24 -8.390 -4.380 -3.924 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.423 -4.079 -1.821 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.295 -2.460 -3.642 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.530 -3.118 -4.697 1.00 0.00 H new ATOM 365 N GLU A 25 -10.991 -5.816 -4.513 1.00 0.00 N ATOM 366 CA GLU A 25 -11.927 -6.788 -5.118 1.00 0.00 C ATOM 367 C GLU A 25 -12.194 -7.926 -4.135 1.00 0.00 C ATOM 368 O GLU A 25 -13.319 -8.333 -3.926 1.00 0.00 O ATOM 369 CB GLU A 25 -11.185 -7.298 -6.354 1.00 0.00 C ATOM 370 CG GLU A 25 -11.980 -6.943 -7.612 1.00 0.00 C ATOM 371 CD GLU A 25 -13.161 -7.905 -7.761 1.00 0.00 C ATOM 372 OE1 GLU A 25 -13.697 -8.316 -6.744 1.00 0.00 O ATOM 373 OE2 GLU A 25 -13.509 -8.212 -8.886 1.00 0.00 O ATOM 0 H GLU A 25 -10.130 -5.667 -5.040 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.896 -6.355 -5.369 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.191 -6.854 -6.403 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.049 -8.378 -6.290 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -12.340 -5.916 -7.549 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.337 -7.002 -8.490 1.00 0.00 H new ATOM 380 N ALA A 26 -11.158 -8.438 -3.527 1.00 0.00 N ATOM 381 CA ALA A 26 -11.334 -9.549 -2.548 1.00 0.00 C ATOM 382 C ALA A 26 -11.795 -8.998 -1.206 1.00 0.00 C ATOM 383 O ALA A 26 -12.633 -9.576 -0.535 1.00 0.00 O ATOM 384 CB ALA A 26 -9.958 -10.184 -2.422 1.00 0.00 C ATOM 0 H ALA A 26 -10.195 -8.134 -3.667 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.086 -10.269 -2.870 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.003 -11.013 -1.716 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.637 -10.553 -3.396 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.246 -9.441 -2.063 1.00 0.00 H new ATOM 390 N LYS A 27 -11.245 -7.886 -0.793 1.00 0.00 N ATOM 391 CA LYS A 27 -11.651 -7.328 0.526 1.00 0.00 C ATOM 392 C LYS A 27 -13.065 -6.790 0.436 1.00 0.00 C ATOM 393 O LYS A 27 -13.765 -6.702 1.421 1.00 0.00 O ATOM 394 CB LYS A 27 -10.651 -6.199 0.782 1.00 0.00 C ATOM 395 CG LYS A 27 -9.393 -6.749 1.451 1.00 0.00 C ATOM 396 CD LYS A 27 -9.751 -7.951 2.318 1.00 0.00 C ATOM 397 CE LYS A 27 -9.802 -9.219 1.445 1.00 0.00 C ATOM 398 NZ LYS A 27 -8.380 -9.520 1.113 1.00 0.00 N ATOM 0 H LYS A 27 -10.544 -7.349 -1.304 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.644 -8.067 1.327 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.389 -5.715 -0.159 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.106 -5.438 1.416 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.665 -7.040 0.694 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.927 -5.975 2.061 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.014 -8.073 3.111 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.715 -7.790 2.801 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.266 -10.048 1.980 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.391 -9.053 0.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.199 -9.287 0.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.754 -8.953 1.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.193 -10.531 1.271 1.00 0.00 H new ATOM 412 N LYS A 28 -13.520 -6.510 -0.753 1.00 0.00 N ATOM 413 CA LYS A 28 -14.925 -6.059 -0.914 1.00 0.00 C ATOM 414 C LYS A 28 -15.831 -7.240 -0.605 1.00 0.00 C ATOM 415 O LYS A 28 -16.777 -7.145 0.154 1.00 0.00 O ATOM 416 CB LYS A 28 -15.050 -5.669 -2.384 1.00 0.00 C ATOM 417 CG LYS A 28 -15.343 -4.176 -2.501 1.00 0.00 C ATOM 418 CD LYS A 28 -16.258 -3.925 -3.697 1.00 0.00 C ATOM 419 CE LYS A 28 -17.536 -3.224 -3.227 1.00 0.00 C ATOM 420 NZ LYS A 28 -18.074 -2.549 -4.440 1.00 0.00 N ATOM 0 H LYS A 28 -12.980 -6.574 -1.616 1.00 0.00 H new ATOM 0 HA LYS A 28 -15.195 -5.230 -0.260 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -14.128 -5.910 -2.913 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -15.848 -6.243 -2.855 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -15.815 -3.815 -1.587 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.412 -3.621 -2.620 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -15.745 -3.311 -4.437 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -16.506 -4.869 -4.182 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -18.252 -3.939 -2.823 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -17.323 -2.504 -2.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -18.951 -2.046 -4.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.373 -1.869 -4.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -18.274 -3.259 -5.173 1.00 0.00 H new ATOM 434 N GLU A 29 -15.514 -8.362 -1.188 1.00 0.00 N ATOM 435 CA GLU A 29 -16.304 -9.600 -0.955 1.00 0.00 C ATOM 436 C GLU A 29 -16.570 -9.752 0.540 1.00 0.00 C ATOM 437 O GLU A 29 -17.653 -10.078 0.967 1.00 0.00 O ATOM 438 CB GLU A 29 -15.378 -10.703 -1.477 1.00 0.00 C ATOM 439 CG GLU A 29 -14.998 -11.668 -0.348 1.00 0.00 C ATOM 440 CD GLU A 29 -16.068 -12.754 -0.223 1.00 0.00 C ATOM 441 OE1 GLU A 29 -16.460 -13.291 -1.246 1.00 0.00 O ATOM 442 OE2 GLU A 29 -16.478 -13.028 0.893 1.00 0.00 O ATOM 0 H GLU A 29 -14.727 -8.474 -1.827 1.00 0.00 H new ATOM 0 HA GLU A 29 -17.278 -9.613 -1.444 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -15.872 -11.250 -2.280 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.478 -10.259 -1.901 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -14.028 -12.120 -0.553 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.904 -11.125 0.593 1.00 0.00 H new ATOM 449 N PHE A 30 -15.591 -9.473 1.334 1.00 0.00 N ATOM 450 CA PHE A 30 -15.748 -9.589 2.794 1.00 0.00 C ATOM 451 C PHE A 30 -16.229 -8.245 3.351 1.00 0.00 C ATOM 452 O PHE A 30 -17.258 -8.166 3.989 1.00 0.00 O ATOM 453 CB PHE A 30 -14.340 -9.936 3.338 1.00 0.00 C ATOM 454 CG PHE A 30 -13.958 -8.977 4.446 1.00 0.00 C ATOM 455 CD1 PHE A 30 -14.824 -8.780 5.532 1.00 0.00 C ATOM 456 CD2 PHE A 30 -12.752 -8.277 4.377 1.00 0.00 C ATOM 457 CE1 PHE A 30 -14.482 -7.881 6.547 1.00 0.00 C ATOM 458 CE2 PHE A 30 -12.406 -7.379 5.393 1.00 0.00 C ATOM 459 CZ PHE A 30 -13.271 -7.180 6.480 1.00 0.00 C ATOM 0 H PHE A 30 -14.669 -9.163 1.026 1.00 0.00 H new ATOM 0 HA PHE A 30 -16.476 -10.348 3.081 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -14.329 -10.960 3.713 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -13.607 -9.883 2.533 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -15.756 -9.323 5.584 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -12.086 -8.428 3.540 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -15.150 -7.727 7.381 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.472 -6.839 5.341 1.00 0.00 H new ATOM 0 HZ PHE A 30 -13.003 -6.487 7.264 1.00 0.00 H new ATOM 469 N GLY A 31 -15.444 -7.216 3.179 1.00 0.00 N ATOM 470 CA GLY A 31 -15.824 -5.870 3.678 1.00 0.00 C ATOM 471 C GLY A 31 -16.518 -5.045 2.589 1.00 0.00 C ATOM 472 O GLY A 31 -15.868 -4.204 1.982 1.00 0.00 O ATOM 0 H GLY A 31 -14.541 -7.256 2.706 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.487 -5.973 4.537 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -14.934 -5.344 4.024 1.00 0.00 H new ATOM 476 N ASP A 32 -17.760 -5.250 2.306 1.00 0.00 N ATOM 477 CA ASP A 32 -18.394 -4.424 1.227 1.00 0.00 C ATOM 478 C ASP A 32 -17.840 -2.983 1.230 1.00 0.00 C ATOM 479 O ASP A 32 -17.838 -2.309 0.235 1.00 0.00 O ATOM 480 CB ASP A 32 -19.881 -4.402 1.621 1.00 0.00 C ATOM 481 CG ASP A 32 -20.471 -3.006 1.384 1.00 0.00 C ATOM 482 OD1 ASP A 32 -20.629 -2.645 0.229 1.00 0.00 O ATOM 483 OD2 ASP A 32 -20.735 -2.320 2.357 1.00 0.00 O ATOM 0 H ASP A 32 -18.366 -5.936 2.756 1.00 0.00 H new ATOM 0 HA ASP A 32 -18.206 -4.828 0.232 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -20.430 -5.141 1.038 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -19.991 -4.678 2.670 1.00 0.00 H new ATOM 488 N LYS A 33 -17.339 -2.545 2.360 1.00 0.00 N ATOM 489 CA LYS A 33 -16.706 -1.205 2.474 1.00 0.00 C ATOM 490 C LYS A 33 -15.244 -1.237 2.024 1.00 0.00 C ATOM 491 O LYS A 33 -14.606 -2.258 2.117 1.00 0.00 O ATOM 492 CB LYS A 33 -16.861 -0.780 3.909 1.00 0.00 C ATOM 493 CG LYS A 33 -18.305 -0.314 4.144 1.00 0.00 C ATOM 494 CD LYS A 33 -18.904 -1.100 5.313 1.00 0.00 C ATOM 495 CE LYS A 33 -17.848 -1.274 6.411 1.00 0.00 C ATOM 496 NZ LYS A 33 -18.615 -1.625 7.633 1.00 0.00 N ATOM 0 H LYS A 33 -17.346 -3.080 3.228 1.00 0.00 H new ATOM 0 HA LYS A 33 -17.188 -0.482 1.816 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -16.621 -1.609 4.574 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -16.164 0.026 4.140 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -18.324 0.754 4.361 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -18.900 -0.468 3.244 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -19.773 -0.575 5.710 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -19.250 -2.075 4.970 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -17.137 -2.059 6.153 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -17.274 -0.358 6.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -17.958 -1.760 8.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -19.279 -0.857 7.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -19.146 -2.504 7.469 1.00 0.00 H new ATOM 510 N ILE A 34 -14.696 -0.137 1.583 1.00 0.00 N ATOM 511 CA ILE A 34 -13.256 -0.155 1.199 1.00 0.00 C ATOM 512 C ILE A 34 -12.483 0.975 1.899 1.00 0.00 C ATOM 513 O ILE A 34 -13.038 1.982 2.286 1.00 0.00 O ATOM 514 CB ILE A 34 -13.277 0.076 -0.311 1.00 0.00 C ATOM 515 CG1 ILE A 34 -13.237 -1.267 -1.034 1.00 0.00 C ATOM 516 CG2 ILE A 34 -12.067 0.917 -0.728 1.00 0.00 C ATOM 517 CD1 ILE A 34 -14.123 -2.278 -0.311 1.00 0.00 C ATOM 0 H ILE A 34 -15.173 0.758 1.473 1.00 0.00 H new ATOM 0 HA ILE A 34 -12.762 -1.084 1.484 1.00 0.00 H new ATOM 0 HB ILE A 34 -14.191 0.607 -0.578 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -13.576 -1.145 -2.063 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -12.212 -1.635 -1.077 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -12.089 1.077 -1.806 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -12.099 1.879 -0.217 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -11.150 0.394 -0.458 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -14.088 -3.233 -0.835 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -13.765 -2.411 0.710 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -15.150 -1.913 -0.291 1.00 0.00 H new ATOM 529 N ASP A 35 -11.192 0.812 2.023 1.00 0.00 N ATOM 530 CA ASP A 35 -10.354 1.853 2.660 1.00 0.00 C ATOM 531 C ASP A 35 -8.953 1.805 2.057 1.00 0.00 C ATOM 532 O ASP A 35 -7.981 1.500 2.729 1.00 0.00 O ATOM 533 CB ASP A 35 -10.322 1.487 4.152 1.00 0.00 C ATOM 534 CG ASP A 35 -9.252 2.316 4.867 1.00 0.00 C ATOM 535 OD1 ASP A 35 -9.558 3.425 5.267 1.00 0.00 O ATOM 536 OD2 ASP A 35 -8.139 1.829 4.992 1.00 0.00 O ATOM 0 H ASP A 35 -10.682 -0.012 1.704 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.740 2.861 2.509 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -11.298 1.670 4.602 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -10.111 0.424 4.271 1.00 0.00 H new ATOM 541 N VAL A 36 -8.833 2.088 0.799 1.00 0.00 N ATOM 542 CA VAL A 36 -7.494 2.014 0.177 1.00 0.00 C ATOM 543 C VAL A 36 -6.826 3.373 0.232 1.00 0.00 C ATOM 544 O VAL A 36 -7.283 4.349 -0.350 1.00 0.00 O ATOM 545 CB VAL A 36 -7.781 1.649 -1.307 1.00 0.00 C ATOM 546 CG1 VAL A 36 -6.468 1.389 -2.048 1.00 0.00 C ATOM 547 CG2 VAL A 36 -8.655 0.395 -1.373 1.00 0.00 C ATOM 0 H VAL A 36 -9.595 2.365 0.180 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.841 1.298 0.677 1.00 0.00 H new ATOM 0 HB VAL A 36 -8.302 2.483 -1.778 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.680 1.134 -3.086 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.847 2.284 -2.014 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.939 0.563 -1.573 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.853 0.144 -2.415 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -8.138 -0.435 -0.892 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -9.598 0.581 -0.859 1.00 0.00 H new ATOM 557 N GLU A 37 -5.716 3.456 0.918 1.00 0.00 N ATOM 558 CA GLU A 37 -5.043 4.781 1.048 1.00 0.00 C ATOM 559 C GLU A 37 -3.869 4.831 0.077 1.00 0.00 C ATOM 560 O GLU A 37 -3.296 3.848 -0.288 1.00 0.00 O ATOM 561 CB GLU A 37 -4.460 4.772 2.489 1.00 0.00 C ATOM 562 CG GLU A 37 -5.591 4.831 3.518 1.00 0.00 C ATOM 563 CD GLU A 37 -5.307 5.938 4.534 1.00 0.00 C ATOM 564 OE1 GLU A 37 -4.252 5.897 5.147 1.00 0.00 O ATOM 565 OE2 GLU A 37 -6.148 6.809 4.681 1.00 0.00 O ATOM 0 H GLU A 37 -5.253 2.677 1.387 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.716 5.616 0.851 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.865 3.871 2.643 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.791 5.622 2.624 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.541 5.018 3.018 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.683 3.872 4.027 1.00 0.00 H new ATOM 572 N LYS A 38 -3.593 5.994 -0.425 1.00 0.00 N ATOM 573 CA LYS A 38 -2.563 6.168 -1.491 1.00 0.00 C ATOM 574 C LYS A 38 -1.721 7.419 -1.273 1.00 0.00 C ATOM 575 O LYS A 38 -2.267 8.497 -1.162 1.00 0.00 O ATOM 576 CB LYS A 38 -3.280 6.211 -2.825 1.00 0.00 C ATOM 577 CG LYS A 38 -4.337 7.296 -2.783 1.00 0.00 C ATOM 578 CD LYS A 38 -5.585 6.762 -2.076 1.00 0.00 C ATOM 579 CE LYS A 38 -6.702 6.568 -3.098 1.00 0.00 C ATOM 580 NZ LYS A 38 -7.581 7.759 -2.934 1.00 0.00 N ATOM 0 H LYS A 38 -4.049 6.860 -0.136 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.865 5.331 -1.465 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.570 6.408 -3.628 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.740 5.246 -3.036 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.955 8.171 -2.258 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.587 7.615 -3.795 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.360 5.817 -1.582 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.903 7.459 -1.301 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.305 6.507 -4.111 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.250 5.644 -2.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.375 7.700 -3.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.950 7.787 -1.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.034 8.623 -3.122 1.00 0.00 H new ATOM 594 N ILE A 39 -0.433 7.294 -1.105 1.00 0.00 N ATOM 595 CA ILE A 39 0.400 8.509 -0.866 1.00 0.00 C ATOM 596 C ILE A 39 1.619 8.526 -1.807 1.00 0.00 C ATOM 597 O ILE A 39 1.841 7.616 -2.573 1.00 0.00 O ATOM 598 CB ILE A 39 0.810 8.449 0.573 1.00 0.00 C ATOM 599 CG1 ILE A 39 0.675 7.014 1.074 1.00 0.00 C ATOM 600 CG2 ILE A 39 -0.083 9.371 1.404 1.00 0.00 C ATOM 601 CD1 ILE A 39 0.664 7.001 2.602 1.00 0.00 C ATOM 0 H ILE A 39 0.077 6.411 -1.122 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.152 9.426 -1.072 1.00 0.00 H new ATOM 0 HB ILE A 39 1.846 8.774 0.671 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.243 6.569 0.690 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.502 6.409 0.701 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.219 9.324 2.450 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.016 10.395 1.043 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.121 9.052 1.311 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.567 5.975 2.956 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.594 7.428 2.976 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.178 7.591 2.965 1.00 0.00 H new ATOM 613 N ASP A 40 2.417 9.561 -1.720 1.00 0.00 N ATOM 614 CA ASP A 40 3.664 9.628 -2.521 1.00 0.00 C ATOM 615 C ASP A 40 4.911 9.470 -1.633 1.00 0.00 C ATOM 616 O ASP A 40 4.833 9.485 -0.425 1.00 0.00 O ATOM 617 CB ASP A 40 3.572 10.950 -3.238 1.00 0.00 C ATOM 618 CG ASP A 40 3.949 10.765 -4.692 1.00 0.00 C ATOM 619 OD1 ASP A 40 4.059 9.631 -5.123 1.00 0.00 O ATOM 620 OD2 ASP A 40 4.114 11.769 -5.353 1.00 0.00 O ATOM 0 H ASP A 40 2.250 10.368 -1.119 1.00 0.00 H new ATOM 0 HA ASP A 40 3.766 8.813 -3.237 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.560 11.347 -3.162 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.236 11.677 -2.769 1.00 0.00 H new ATOM 625 N ILE A 41 6.067 9.504 -2.234 1.00 0.00 N ATOM 626 CA ILE A 41 7.319 9.506 -1.435 1.00 0.00 C ATOM 627 C ILE A 41 7.423 10.741 -0.526 1.00 0.00 C ATOM 628 O ILE A 41 7.633 10.621 0.668 1.00 0.00 O ATOM 629 CB ILE A 41 8.446 9.525 -2.474 1.00 0.00 C ATOM 630 CG1 ILE A 41 9.453 8.429 -2.134 1.00 0.00 C ATOM 631 CG2 ILE A 41 9.153 10.882 -2.475 1.00 0.00 C ATOM 632 CD1 ILE A 41 10.497 8.969 -1.157 1.00 0.00 C ATOM 0 H ILE A 41 6.197 9.530 -3.245 1.00 0.00 H new ATOM 0 HA ILE A 41 7.362 8.642 -0.772 1.00 0.00 H new ATOM 0 HB ILE A 41 8.021 9.353 -3.463 1.00 0.00 H new ATOM 0 HG12 ILE A 41 8.939 7.574 -1.695 1.00 0.00 H new ATOM 0 HG13 ILE A 41 9.940 8.076 -3.043 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.950 10.877 -3.219 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.436 11.666 -2.718 1.00 0.00 H new ATOM 0 HG23 ILE A 41 9.578 11.072 -1.489 1.00 0.00 H new ATOM 0 HD11 ILE A 41 11.213 8.183 -0.918 1.00 0.00 H new ATOM 0 HD12 ILE A 41 11.020 9.810 -1.612 1.00 0.00 H new ATOM 0 HD13 ILE A 41 10.003 9.300 -0.243 1.00 0.00 H new ATOM 644 N MET A 42 7.300 11.920 -1.082 1.00 0.00 N ATOM 645 CA MET A 42 7.424 13.142 -0.238 1.00 0.00 C ATOM 646 C MET A 42 6.194 13.295 0.667 1.00 0.00 C ATOM 647 O MET A 42 6.113 14.211 1.459 1.00 0.00 O ATOM 648 CB MET A 42 7.463 14.296 -1.250 1.00 0.00 C ATOM 649 CG MET A 42 6.038 14.634 -1.710 1.00 0.00 C ATOM 650 SD MET A 42 6.007 16.298 -2.420 1.00 0.00 S ATOM 651 CE MET A 42 6.120 15.807 -4.155 1.00 0.00 C ATOM 0 H MET A 42 7.121 12.086 -2.072 1.00 0.00 H new ATOM 0 HA MET A 42 8.300 13.110 0.410 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.926 15.173 -0.798 1.00 0.00 H new ATOM 0 HB3 MET A 42 8.076 14.019 -2.108 1.00 0.00 H new ATOM 0 HG2 MET A 42 5.701 13.906 -2.449 1.00 0.00 H new ATOM 0 HG3 MET A 42 5.349 14.575 -0.867 1.00 0.00 H new ATOM 0 HE1 MET A 42 6.010 16.686 -4.790 1.00 0.00 H new ATOM 0 HE2 MET A 42 7.090 15.345 -4.340 1.00 0.00 H new ATOM 0 HE3 MET A 42 5.329 15.093 -4.383 1.00 0.00 H new ATOM 661 N VAL A 43 5.263 12.388 0.587 1.00 0.00 N ATOM 662 CA VAL A 43 4.058 12.485 1.460 1.00 0.00 C ATOM 663 C VAL A 43 4.066 11.349 2.482 1.00 0.00 C ATOM 664 O VAL A 43 3.805 11.555 3.649 1.00 0.00 O ATOM 665 CB VAL A 43 2.851 12.365 0.518 1.00 0.00 C ATOM 666 CG1 VAL A 43 3.330 12.244 -0.923 1.00 0.00 C ATOM 667 CG2 VAL A 43 2.036 11.129 0.891 1.00 0.00 C ATOM 0 H VAL A 43 5.282 11.585 -0.042 1.00 0.00 H new ATOM 0 HA VAL A 43 4.029 13.420 2.019 1.00 0.00 H new ATOM 0 HB VAL A 43 2.229 13.255 0.615 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.469 12.159 -1.587 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.908 13.129 -1.190 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.956 11.357 -1.025 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.179 11.043 0.223 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.660 10.240 0.797 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.687 11.220 1.919 1.00 0.00 H new ATOM 677 N ASP A 44 4.354 10.148 2.051 1.00 0.00 N ATOM 678 CA ASP A 44 4.368 9.008 3.006 1.00 0.00 C ATOM 679 C ASP A 44 5.781 8.460 3.135 1.00 0.00 C ATOM 680 O ASP A 44 5.998 7.250 3.094 1.00 0.00 O ATOM 681 CB ASP A 44 3.423 7.968 2.409 1.00 0.00 C ATOM 682 CG ASP A 44 3.617 6.631 3.127 1.00 0.00 C ATOM 683 OD1 ASP A 44 3.247 6.544 4.279 1.00 0.00 O ATOM 684 OD2 ASP A 44 4.135 5.722 2.515 1.00 0.00 O ATOM 0 H ASP A 44 4.578 9.911 1.085 1.00 0.00 H new ATOM 0 HA ASP A 44 4.051 9.298 4.008 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.390 8.300 2.509 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.619 7.852 1.343 1.00 0.00 H new ATOM 689 N ARG A 45 6.764 9.310 3.281 1.00 0.00 N ATOM 690 CA ARG A 45 8.160 8.776 3.372 1.00 0.00 C ATOM 691 C ARG A 45 8.345 7.996 4.679 1.00 0.00 C ATOM 692 O ARG A 45 9.308 7.291 4.860 1.00 0.00 O ATOM 693 CB ARG A 45 9.017 10.051 3.470 1.00 0.00 C ATOM 694 CG ARG A 45 10.398 9.711 4.052 1.00 0.00 C ATOM 695 CD ARG A 45 10.415 9.998 5.560 1.00 0.00 C ATOM 696 NE ARG A 45 11.837 9.825 5.965 1.00 0.00 N ATOM 697 CZ ARG A 45 12.131 9.184 7.064 1.00 0.00 C ATOM 698 NH1 ARG A 45 12.076 7.880 7.092 1.00 0.00 N ATOM 699 NH2 ARG A 45 12.479 9.846 8.133 1.00 0.00 N ATOM 0 H ARG A 45 6.669 10.324 3.340 1.00 0.00 H new ATOM 0 HA ARG A 45 8.408 8.118 2.539 1.00 0.00 H new ATOM 0 HB2 ARG A 45 9.129 10.501 2.483 1.00 0.00 H new ATOM 0 HB3 ARG A 45 8.518 10.787 4.101 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.631 8.662 3.870 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.168 10.299 3.552 1.00 0.00 H new ATOM 0 HD2 ARG A 45 10.063 11.007 5.774 1.00 0.00 H new ATOM 0 HD3 ARG A 45 9.764 9.311 6.101 1.00 0.00 H new ATOM 0 HE ARG A 45 12.583 10.208 5.383 1.00 0.00 H new ATOM 0 HH11 ARG A 45 11.804 7.363 6.256 1.00 0.00 H new ATOM 0 HH12 ARG A 45 12.305 7.378 7.950 1.00 0.00 H new ATOM 0 HH21 ARG A 45 12.522 10.865 8.111 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.709 9.345 8.991 1.00 0.00 H new ATOM 713 N GLU A 46 7.349 8.014 5.523 1.00 0.00 N ATOM 714 CA GLU A 46 7.359 7.181 6.755 1.00 0.00 C ATOM 715 C GLU A 46 7.542 5.705 6.401 1.00 0.00 C ATOM 716 O GLU A 46 7.836 4.889 7.240 1.00 0.00 O ATOM 717 CB GLU A 46 6.055 7.456 7.483 1.00 0.00 C ATOM 718 CG GLU A 46 5.729 8.951 7.379 1.00 0.00 C ATOM 719 CD GLU A 46 4.930 9.385 8.604 1.00 0.00 C ATOM 720 OE1 GLU A 46 3.814 8.914 8.752 1.00 0.00 O ATOM 721 OE2 GLU A 46 5.446 10.177 9.373 1.00 0.00 O ATOM 0 H GLU A 46 6.512 8.584 5.405 1.00 0.00 H new ATOM 0 HA GLU A 46 8.196 7.433 7.406 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.249 6.864 7.048 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.139 7.161 8.529 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.649 9.531 7.308 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.158 9.147 6.471 1.00 0.00 H new ATOM 728 N LYS A 47 7.285 5.348 5.187 1.00 0.00 N ATOM 729 CA LYS A 47 7.410 3.920 4.803 1.00 0.00 C ATOM 730 C LYS A 47 8.757 3.366 5.256 1.00 0.00 C ATOM 731 O LYS A 47 8.860 2.488 6.056 1.00 0.00 O ATOM 732 CB LYS A 47 7.377 3.894 3.285 1.00 0.00 C ATOM 733 CG LYS A 47 8.375 2.824 2.808 1.00 0.00 C ATOM 734 CD LYS A 47 8.079 1.505 3.522 1.00 0.00 C ATOM 735 CE LYS A 47 9.384 0.842 3.953 1.00 0.00 C ATOM 736 NZ LYS A 47 9.047 0.078 5.187 1.00 0.00 N ATOM 0 H LYS A 47 6.994 5.979 4.440 1.00 0.00 H new ATOM 0 HA LYS A 47 6.616 3.326 5.256 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.373 3.664 2.929 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.643 4.871 2.881 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.297 2.692 1.729 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.396 3.143 3.017 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.449 1.686 4.393 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.525 0.840 2.860 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.766 0.182 3.174 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.157 1.585 4.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.914 -0.335 5.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.614 0.717 5.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.378 -0.683 4.952 1.00 0.00 H new ATOM 750 N ALA A 48 9.782 3.959 4.731 1.00 0.00 N ATOM 751 CA ALA A 48 11.154 3.618 5.083 1.00 0.00 C ATOM 752 C ALA A 48 11.415 3.794 6.557 1.00 0.00 C ATOM 753 O ALA A 48 12.527 3.636 7.014 1.00 0.00 O ATOM 754 CB ALA A 48 12.069 4.363 4.151 1.00 0.00 C ATOM 0 H ALA A 48 9.706 4.703 4.037 1.00 0.00 H new ATOM 0 HA ALA A 48 11.355 2.557 4.937 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.105 4.126 4.392 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.859 4.069 3.123 1.00 0.00 H new ATOM 0 HB3 ALA A 48 11.907 5.435 4.262 1.00 0.00 H new ATOM 760 N ILE A 49 10.471 4.302 7.304 1.00 0.00 N ATOM 761 CA ILE A 49 10.787 4.595 8.716 1.00 0.00 C ATOM 762 C ILE A 49 11.720 3.476 9.124 1.00 0.00 C ATOM 763 O ILE A 49 12.739 3.667 9.746 1.00 0.00 O ATOM 764 CB ILE A 49 9.449 4.520 9.462 1.00 0.00 C ATOM 765 CG1 ILE A 49 8.634 3.307 8.971 1.00 0.00 C ATOM 766 CG2 ILE A 49 8.653 5.802 9.222 1.00 0.00 C ATOM 767 CD1 ILE A 49 9.095 2.046 9.702 1.00 0.00 C ATOM 0 H ILE A 49 9.522 4.519 7.001 1.00 0.00 H new ATOM 0 HA ILE A 49 11.248 5.563 8.913 1.00 0.00 H new ATOM 0 HB ILE A 49 9.645 4.408 10.528 1.00 0.00 H new ATOM 0 HG12 ILE A 49 7.572 3.474 9.149 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.761 3.183 7.896 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.703 5.745 9.753 1.00 0.00 H new ATOM 0 HG22 ILE A 49 9.222 6.657 9.586 1.00 0.00 H new ATOM 0 HG23 ILE A 49 8.465 5.919 8.155 1.00 0.00 H new ATOM 0 HD11 ILE A 49 8.517 1.191 9.352 1.00 0.00 H new ATOM 0 HD12 ILE A 49 10.153 1.875 9.501 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.945 2.172 10.774 1.00 0.00 H new ATOM 779 N GLU A 50 11.384 2.287 8.686 1.00 0.00 N ATOM 780 CA GLU A 50 12.235 1.110 8.951 1.00 0.00 C ATOM 781 C GLU A 50 13.676 1.440 8.552 1.00 0.00 C ATOM 782 O GLU A 50 14.588 1.299 9.337 1.00 0.00 O ATOM 783 CB GLU A 50 11.656 0.014 8.057 1.00 0.00 C ATOM 784 CG GLU A 50 10.833 -0.955 8.907 1.00 0.00 C ATOM 785 CD GLU A 50 11.182 -2.393 8.526 1.00 0.00 C ATOM 786 OE1 GLU A 50 12.163 -2.901 9.045 1.00 0.00 O ATOM 787 OE2 GLU A 50 10.465 -2.962 7.721 1.00 0.00 O ATOM 0 H GLU A 50 10.540 2.090 8.148 1.00 0.00 H new ATOM 0 HA GLU A 50 12.249 0.808 9.998 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.031 0.455 7.281 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.460 -0.521 7.552 1.00 0.00 H new ATOM 0 HG2 GLU A 50 11.035 -0.789 9.965 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.769 -0.775 8.754 1.00 0.00 H new ATOM 794 N TYR A 51 13.888 1.899 7.346 1.00 0.00 N ATOM 795 CA TYR A 51 15.280 2.256 6.921 1.00 0.00 C ATOM 796 C TYR A 51 15.362 3.737 6.562 1.00 0.00 C ATOM 797 O TYR A 51 16.351 4.393 6.807 1.00 0.00 O ATOM 798 CB TYR A 51 15.567 1.392 5.688 1.00 0.00 C ATOM 799 CG TYR A 51 14.597 1.717 4.576 1.00 0.00 C ATOM 800 CD1 TYR A 51 13.330 1.125 4.552 1.00 0.00 C ATOM 801 CD2 TYR A 51 14.972 2.608 3.564 1.00 0.00 C ATOM 802 CE1 TYR A 51 12.443 1.426 3.518 1.00 0.00 C ATOM 803 CE2 TYR A 51 14.083 2.909 2.532 1.00 0.00 C ATOM 804 CZ TYR A 51 12.815 2.319 2.505 1.00 0.00 C ATOM 805 OH TYR A 51 11.930 2.618 1.486 1.00 0.00 O ATOM 0 H TYR A 51 13.166 2.042 6.640 1.00 0.00 H new ATOM 0 HA TYR A 51 16.004 2.079 7.717 1.00 0.00 H new ATOM 0 HB2 TYR A 51 16.589 1.561 5.348 1.00 0.00 H new ATOM 0 HB3 TYR A 51 15.489 0.337 5.950 1.00 0.00 H new ATOM 0 HD1 TYR A 51 13.039 0.437 5.332 1.00 0.00 H new ATOM 0 HD2 TYR A 51 15.951 3.063 3.582 1.00 0.00 H new ATOM 0 HE1 TYR A 51 11.465 0.968 3.499 1.00 0.00 H new ATOM 0 HE2 TYR A 51 14.374 3.598 1.753 1.00 0.00 H new ATOM 0 HH TYR A 51 11.022 2.368 1.757 1.00 0.00 H new ATOM 815 N GLY A 52 14.327 4.254 5.963 1.00 0.00 N ATOM 816 CA GLY A 52 14.300 5.694 5.563 1.00 0.00 C ATOM 817 C GLY A 52 15.654 6.137 4.987 1.00 0.00 C ATOM 818 O GLY A 52 15.918 7.300 4.849 1.00 0.00 O ATOM 0 H GLY A 52 13.482 3.733 5.728 1.00 0.00 H new ATOM 0 HA2 GLY A 52 13.517 5.853 4.822 1.00 0.00 H new ATOM 0 HA3 GLY A 52 14.051 6.310 6.427 1.00 0.00 H new ATOM 822 N LEU A 53 16.499 5.212 4.666 1.00 0.00 N ATOM 823 CA LEU A 53 17.801 5.533 4.062 1.00 0.00 C ATOM 824 C LEU A 53 17.621 5.741 2.552 1.00 0.00 C ATOM 825 O LEU A 53 17.940 6.761 1.979 1.00 0.00 O ATOM 826 CB LEU A 53 18.755 4.397 4.417 1.00 0.00 C ATOM 827 CG LEU A 53 19.066 4.458 5.921 1.00 0.00 C ATOM 828 CD1 LEU A 53 19.618 3.106 6.371 1.00 0.00 C ATOM 829 CD2 LEU A 53 20.103 5.551 6.197 1.00 0.00 C ATOM 0 H LEU A 53 16.332 4.215 4.803 1.00 0.00 H new ATOM 0 HA LEU A 53 18.224 6.462 4.444 1.00 0.00 H new ATOM 0 HB2 LEU A 53 18.307 3.436 4.164 1.00 0.00 H new ATOM 0 HB3 LEU A 53 19.675 4.483 3.838 1.00 0.00 H new ATOM 0 HG LEU A 53 18.154 4.688 6.471 1.00 0.00 H new ATOM 0 HD11 LEU A 53 19.841 3.141 7.437 1.00 0.00 H new ATOM 0 HD12 LEU A 53 18.878 2.329 6.181 1.00 0.00 H new ATOM 0 HD13 LEU A 53 20.529 2.882 5.817 1.00 0.00 H new ATOM 0 HD21 LEU A 53 20.318 5.588 7.265 1.00 0.00 H new ATOM 0 HD22 LEU A 53 21.019 5.330 5.650 1.00 0.00 H new ATOM 0 HD23 LEU A 53 19.711 6.515 5.873 1.00 0.00 H new ATOM 841 N MET A 54 17.212 4.672 1.912 1.00 0.00 N ATOM 842 CA MET A 54 16.982 4.649 0.462 1.00 0.00 C ATOM 843 C MET A 54 15.480 4.552 0.184 1.00 0.00 C ATOM 844 O MET A 54 15.057 3.605 -0.481 1.00 0.00 O ATOM 845 CB MET A 54 17.763 3.481 -0.064 1.00 0.00 C ATOM 846 CG MET A 54 19.249 3.861 -0.106 1.00 0.00 C ATOM 847 SD MET A 54 20.226 2.354 -0.334 1.00 0.00 S ATOM 848 CE MET A 54 20.907 2.267 1.339 1.00 0.00 C ATOM 0 H MET A 54 17.024 3.781 2.373 1.00 0.00 H new ATOM 0 HA MET A 54 17.316 5.558 -0.039 1.00 0.00 H new ATOM 0 HB2 MET A 54 17.614 2.609 0.573 1.00 0.00 H new ATOM 0 HB3 MET A 54 17.414 3.211 -1.061 1.00 0.00 H new ATOM 0 HG2 MET A 54 19.437 4.561 -0.920 1.00 0.00 H new ATOM 0 HG3 MET A 54 19.537 4.362 0.818 1.00 0.00 H new ATOM 0 HE1 MET A 54 21.554 1.394 1.424 1.00 0.00 H new ATOM 0 HE2 MET A 54 21.485 3.168 1.544 1.00 0.00 H new ATOM 0 HE3 MET A 54 20.093 2.187 2.059 1.00 0.00 H new ATOM 858 N ALA A 55 14.667 5.407 0.708 1.00 0.00 N ATOM 859 CA ALA A 55 13.202 5.182 0.520 1.00 0.00 C ATOM 860 C ALA A 55 12.640 6.110 -0.526 1.00 0.00 C ATOM 861 O ALA A 55 12.775 7.315 -0.482 1.00 0.00 O ATOM 862 CB ALA A 55 12.625 5.621 1.893 1.00 0.00 C ATOM 0 H ALA A 55 14.931 6.233 1.245 1.00 0.00 H new ATOM 0 HA ALA A 55 12.972 4.162 0.213 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.541 5.503 1.887 1.00 0.00 H new ATOM 0 HB2 ALA A 55 13.053 5.003 2.682 1.00 0.00 H new ATOM 0 HB3 ALA A 55 12.875 6.666 2.075 1.00 0.00 H new ATOM 868 N VAL A 56 12.013 5.519 -1.518 1.00 0.00 N ATOM 869 CA VAL A 56 11.449 6.310 -2.644 1.00 0.00 C ATOM 870 C VAL A 56 10.186 5.641 -3.195 1.00 0.00 C ATOM 871 O VAL A 56 9.102 6.177 -3.045 1.00 0.00 O ATOM 872 CB VAL A 56 12.530 6.378 -3.729 1.00 0.00 C ATOM 873 CG1 VAL A 56 12.874 7.840 -4.012 1.00 0.00 C ATOM 874 CG2 VAL A 56 13.787 5.638 -3.264 1.00 0.00 C ATOM 0 H VAL A 56 11.870 4.512 -1.590 1.00 0.00 H new ATOM 0 HA VAL A 56 11.168 7.308 -2.309 1.00 0.00 H new ATOM 0 HB VAL A 56 12.155 5.906 -4.637 1.00 0.00 H new ATOM 0 HG11 VAL A 56 13.643 7.890 -4.783 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.982 8.364 -4.354 1.00 0.00 H new ATOM 0 HG13 VAL A 56 13.243 8.310 -3.101 1.00 0.00 H new ATOM 0 HG21 VAL A 56 14.549 5.692 -4.041 1.00 0.00 H new ATOM 0 HG22 VAL A 56 14.165 6.100 -2.352 1.00 0.00 H new ATOM 0 HG23 VAL A 56 13.543 4.594 -3.067 1.00 0.00 H new ATOM 884 N PRO A 57 10.309 4.432 -3.684 1.00 0.00 N ATOM 885 CA PRO A 57 9.118 3.732 -4.179 1.00 0.00 C ATOM 886 C PRO A 57 8.731 2.605 -3.226 1.00 0.00 C ATOM 887 O PRO A 57 9.439 1.662 -2.993 1.00 0.00 O ATOM 888 CB PRO A 57 9.719 3.036 -5.437 1.00 0.00 C ATOM 889 CG PRO A 57 11.211 2.894 -5.192 1.00 0.00 C ATOM 890 CD PRO A 57 11.540 3.682 -3.950 1.00 0.00 C ATOM 0 HA PRO A 57 8.254 4.381 -4.321 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.259 2.061 -5.595 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.529 3.627 -6.333 1.00 0.00 H new ATOM 0 HG2 PRO A 57 11.481 1.846 -5.064 1.00 0.00 H new ATOM 0 HG3 PRO A 57 11.777 3.268 -6.045 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.800 3.028 -3.117 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.389 4.347 -4.110 1.00 0.00 H new ATOM 898 N ALA A 58 7.583 2.775 -2.598 1.00 0.00 N ATOM 899 CA ALA A 58 7.140 1.799 -1.572 1.00 0.00 C ATOM 900 C ALA A 58 5.646 1.893 -1.295 1.00 0.00 C ATOM 901 O ALA A 58 4.939 2.695 -1.862 1.00 0.00 O ATOM 902 CB ALA A 58 7.929 2.119 -0.306 1.00 0.00 C ATOM 0 H ALA A 58 6.942 3.552 -2.761 1.00 0.00 H new ATOM 0 HA ALA A 58 7.321 0.783 -1.922 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.642 1.428 0.486 1.00 0.00 H new ATOM 0 HB2 ALA A 58 8.996 2.018 -0.507 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.714 3.140 0.008 1.00 0.00 H new ATOM 908 N ILE A 59 5.168 1.053 -0.428 1.00 0.00 N ATOM 909 CA ILE A 59 3.729 1.060 -0.092 1.00 0.00 C ATOM 910 C ILE A 59 3.539 0.660 1.360 1.00 0.00 C ATOM 911 O ILE A 59 4.252 -0.205 1.866 1.00 0.00 O ATOM 912 CB ILE A 59 3.110 0.010 -1.010 1.00 0.00 C ATOM 913 CG1 ILE A 59 2.876 0.626 -2.397 1.00 0.00 C ATOM 914 CG2 ILE A 59 1.779 -0.458 -0.427 1.00 0.00 C ATOM 915 CD1 ILE A 59 3.716 -0.120 -3.435 1.00 0.00 C ATOM 0 H ILE A 59 5.722 0.354 0.067 1.00 0.00 H new ATOM 0 HA ILE A 59 3.274 2.042 -0.223 1.00 0.00 H new ATOM 0 HB ILE A 59 3.784 -0.842 -1.097 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.820 0.568 -2.659 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.144 1.682 -2.387 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.338 -1.208 -1.084 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.946 -0.892 0.559 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.101 0.391 -0.339 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.550 0.317 -4.420 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.771 -0.039 -3.175 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.426 -1.171 -3.451 1.00 0.00 H new ATOM 927 N ALA A 60 2.588 1.239 2.052 1.00 0.00 N ATOM 928 CA ALA A 60 2.470 0.820 3.462 1.00 0.00 C ATOM 929 C ALA A 60 1.681 -0.439 3.531 1.00 0.00 C ATOM 930 O ALA A 60 0.760 -0.676 2.712 1.00 0.00 O ATOM 931 CB ALA A 60 1.613 1.967 4.117 1.00 0.00 C ATOM 0 H ALA A 60 1.929 1.942 1.718 1.00 0.00 H new ATOM 0 HA ALA A 60 3.436 0.659 3.941 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.465 1.752 5.175 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.135 2.918 4.010 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.645 2.027 3.620 1.00 0.00 H new ATOM 937 N ILE A 61 2.026 -1.329 4.409 1.00 0.00 N ATOM 938 CA ILE A 61 1.318 -2.594 4.364 1.00 0.00 C ATOM 939 C ILE A 61 0.150 -2.482 5.266 1.00 0.00 C ATOM 940 O ILE A 61 0.109 -2.867 6.423 1.00 0.00 O ATOM 941 CB ILE A 61 2.376 -3.546 5.071 1.00 0.00 C ATOM 942 CG1 ILE A 61 3.823 -3.113 4.745 1.00 0.00 C ATOM 943 CG2 ILE A 61 2.194 -5.009 4.679 1.00 0.00 C ATOM 944 CD1 ILE A 61 4.802 -4.264 4.977 1.00 0.00 C ATOM 0 H ILE A 61 2.744 -1.228 5.127 1.00 0.00 H new ATOM 0 HA ILE A 61 0.986 -2.912 3.376 1.00 0.00 H new ATOM 0 HB ILE A 61 2.198 -3.452 6.142 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.883 -2.783 3.708 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.101 -2.262 5.367 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.941 -5.618 5.189 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.197 -5.342 4.967 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.314 -5.114 3.601 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.814 -3.934 4.741 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.756 -4.576 6.020 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.535 -5.104 4.336 1.00 0.00 H new ATOM 956 N ASN A 62 -0.909 -1.984 4.663 1.00 0.00 N ATOM 957 CA ASN A 62 -2.216 -1.828 5.335 1.00 0.00 C ATOM 958 C ASN A 62 -2.508 -3.050 6.161 1.00 0.00 C ATOM 959 O ASN A 62 -3.200 -3.936 5.740 1.00 0.00 O ATOM 960 CB ASN A 62 -3.237 -1.621 4.235 1.00 0.00 C ATOM 961 CG ASN A 62 -3.648 -0.139 4.177 1.00 0.00 C ATOM 962 OD1 ASN A 62 -3.524 0.492 3.158 1.00 0.00 O ATOM 963 ND2 ASN A 62 -4.148 0.434 5.234 1.00 0.00 N ATOM 0 H ASN A 62 -0.905 -1.671 3.692 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.234 -0.980 6.020 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.820 -1.930 3.276 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.113 -2.244 4.417 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.433 1.413 5.197 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.255 -0.096 6.099 1.00 0.00 H new ATOM 970 N GLY A 63 -1.928 -3.103 7.327 1.00 0.00 N ATOM 971 CA GLY A 63 -2.097 -4.274 8.222 1.00 0.00 C ATOM 972 C GLY A 63 -0.967 -4.241 9.239 1.00 0.00 C ATOM 973 O GLY A 63 -1.179 -4.369 10.428 1.00 0.00 O ATOM 0 H GLY A 63 -1.331 -2.366 7.702 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.064 -4.237 8.723 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.070 -5.201 7.649 1.00 0.00 H new ATOM 977 N VAL A 64 0.242 -4.060 8.770 1.00 0.00 N ATOM 978 CA VAL A 64 1.405 -4.013 9.698 1.00 0.00 C ATOM 979 C VAL A 64 2.138 -2.663 9.593 1.00 0.00 C ATOM 980 O VAL A 64 2.240 -1.954 10.572 1.00 0.00 O ATOM 981 CB VAL A 64 2.281 -5.188 9.265 1.00 0.00 C ATOM 982 CG1 VAL A 64 1.402 -6.431 9.143 1.00 0.00 C ATOM 983 CG2 VAL A 64 2.913 -4.902 7.906 1.00 0.00 C ATOM 0 H VAL A 64 0.471 -3.943 7.783 1.00 0.00 H new ATOM 0 HA VAL A 64 1.117 -4.095 10.746 1.00 0.00 H new ATOM 0 HB VAL A 64 3.069 -5.341 10.002 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.013 -7.280 8.834 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.941 -6.647 10.107 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.624 -6.255 8.400 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.535 -5.747 7.609 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.129 -4.750 7.165 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.528 -4.005 7.972 1.00 0.00 H new ATOM 993 N VAL A 65 2.653 -2.286 8.438 1.00 0.00 N ATOM 994 CA VAL A 65 3.382 -0.977 8.353 1.00 0.00 C ATOM 995 C VAL A 65 3.578 -0.524 6.901 1.00 0.00 C ATOM 996 O VAL A 65 2.662 -0.048 6.261 1.00 0.00 O ATOM 997 CB VAL A 65 4.749 -1.241 9.006 1.00 0.00 C ATOM 998 CG1 VAL A 65 5.638 -0.004 8.840 1.00 0.00 C ATOM 999 CG2 VAL A 65 4.563 -1.530 10.494 1.00 0.00 C ATOM 0 H VAL A 65 2.601 -2.818 7.569 1.00 0.00 H new ATOM 0 HA VAL A 65 2.820 -0.184 8.846 1.00 0.00 H new ATOM 0 HB VAL A 65 5.217 -2.100 8.526 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.608 -0.188 9.302 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.775 0.206 7.779 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.164 0.852 9.321 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.534 -1.716 10.953 1.00 0.00 H new ATOM 0 HG22 VAL A 65 4.093 -0.672 10.975 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.929 -2.408 10.618 1.00 0.00 H new ATOM 1009 N ARG A 66 4.780 -0.666 6.385 1.00 0.00 N ATOM 1010 CA ARG A 66 5.085 -0.233 4.989 1.00 0.00 C ATOM 1011 C ARG A 66 6.405 -0.861 4.542 1.00 0.00 C ATOM 1012 O ARG A 66 7.141 -1.399 5.341 1.00 0.00 O ATOM 1013 CB ARG A 66 5.236 1.290 5.085 1.00 0.00 C ATOM 1014 CG ARG A 66 5.118 1.912 3.691 1.00 0.00 C ATOM 1015 CD ARG A 66 4.311 3.211 3.759 1.00 0.00 C ATOM 1016 NE ARG A 66 4.295 3.598 5.201 1.00 0.00 N ATOM 1017 CZ ARG A 66 3.305 4.292 5.687 1.00 0.00 C ATOM 1018 NH1 ARG A 66 2.289 4.602 4.928 1.00 0.00 N ATOM 1019 NH2 ARG A 66 3.330 4.676 6.931 1.00 0.00 N ATOM 0 H ARG A 66 5.572 -1.071 6.885 1.00 0.00 H new ATOM 0 HA ARG A 66 4.317 -0.529 4.274 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.469 1.700 5.742 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.201 1.542 5.525 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.111 2.113 3.289 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.635 1.210 3.011 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.769 3.990 3.149 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.299 3.064 3.381 1.00 0.00 H new ATOM 0 HE ARG A 66 5.064 3.317 5.810 1.00 0.00 H new ATOM 0 HH11 ARG A 66 2.270 4.301 3.954 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.515 5.145 5.309 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.124 4.434 7.524 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.556 5.219 7.313 1.00 0.00 H new ATOM 1033 N PHE A 67 6.684 -0.863 3.261 1.00 0.00 N ATOM 1034 CA PHE A 67 7.936 -1.529 2.775 1.00 0.00 C ATOM 1035 C PHE A 67 8.549 -0.785 1.577 1.00 0.00 C ATOM 1036 O PHE A 67 8.079 0.250 1.174 1.00 0.00 O ATOM 1037 CB PHE A 67 7.506 -2.929 2.361 1.00 0.00 C ATOM 1038 CG PHE A 67 7.180 -2.959 0.881 1.00 0.00 C ATOM 1039 CD1 PHE A 67 6.713 -1.808 0.220 1.00 0.00 C ATOM 1040 CD2 PHE A 67 7.348 -4.143 0.168 1.00 0.00 C ATOM 1041 CE1 PHE A 67 6.416 -1.853 -1.144 1.00 0.00 C ATOM 1042 CE2 PHE A 67 7.050 -4.186 -1.200 1.00 0.00 C ATOM 1043 CZ PHE A 67 6.585 -3.045 -1.854 1.00 0.00 C ATOM 0 H PHE A 67 6.106 -0.437 2.536 1.00 0.00 H new ATOM 0 HA PHE A 67 8.703 -1.538 3.550 1.00 0.00 H new ATOM 0 HB2 PHE A 67 8.301 -3.642 2.580 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.634 -3.236 2.939 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.584 -0.887 0.769 1.00 0.00 H new ATOM 0 HD2 PHE A 67 7.708 -5.029 0.670 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.057 -0.969 -1.649 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.181 -5.106 -1.750 1.00 0.00 H new ATOM 0 HZ PHE A 67 6.356 -3.083 -2.909 1.00 0.00 H new ATOM 1053 N VAL A 68 9.608 -1.322 1.028 1.00 0.00 N ATOM 1054 CA VAL A 68 10.244 -0.707 -0.165 1.00 0.00 C ATOM 1055 C VAL A 68 9.694 -1.374 -1.431 1.00 0.00 C ATOM 1056 O VAL A 68 9.943 -2.546 -1.652 1.00 0.00 O ATOM 1057 CB VAL A 68 11.732 -0.911 -0.009 1.00 0.00 C ATOM 1058 CG1 VAL A 68 12.432 -0.421 -1.274 1.00 0.00 C ATOM 1059 CG2 VAL A 68 12.222 -0.104 1.194 1.00 0.00 C ATOM 0 H VAL A 68 10.062 -2.172 1.364 1.00 0.00 H new ATOM 0 HA VAL A 68 10.029 0.358 -0.252 1.00 0.00 H new ATOM 0 HB VAL A 68 11.954 -1.967 0.147 1.00 0.00 H new ATOM 0 HG11 VAL A 68 13.508 -0.563 -1.173 1.00 0.00 H new ATOM 0 HG12 VAL A 68 12.070 -0.987 -2.132 1.00 0.00 H new ATOM 0 HG13 VAL A 68 12.218 0.638 -1.421 1.00 0.00 H new ATOM 0 HG21 VAL A 68 13.296 -0.246 1.314 1.00 0.00 H new ATOM 0 HG22 VAL A 68 12.011 0.953 1.033 1.00 0.00 H new ATOM 0 HG23 VAL A 68 11.709 -0.444 2.093 1.00 0.00 H new ATOM 1069 N GLY A 69 8.995 -0.670 -2.259 1.00 0.00 N ATOM 1070 CA GLY A 69 8.489 -1.314 -3.504 1.00 0.00 C ATOM 1071 C GLY A 69 8.047 -0.258 -4.517 1.00 0.00 C ATOM 1072 O GLY A 69 7.217 0.576 -4.230 1.00 0.00 O ATOM 0 H GLY A 69 8.750 0.313 -2.138 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.269 -1.939 -3.939 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.651 -1.970 -3.266 1.00 0.00 H new ATOM 1076 N ALA A 70 8.573 -0.301 -5.710 1.00 0.00 N ATOM 1077 CA ALA A 70 8.148 0.691 -6.734 1.00 0.00 C ATOM 1078 C ALA A 70 7.006 0.085 -7.544 1.00 0.00 C ATOM 1079 O ALA A 70 5.851 0.350 -7.262 1.00 0.00 O ATOM 1080 CB ALA A 70 9.384 0.949 -7.599 1.00 0.00 C ATOM 0 H ALA A 70 9.274 -0.975 -6.018 1.00 0.00 H new ATOM 0 HA ALA A 70 7.788 1.627 -6.308 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.140 1.673 -8.376 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.188 1.342 -6.977 1.00 0.00 H new ATOM 0 HB3 ALA A 70 9.706 0.016 -8.061 1.00 0.00 H new ATOM 1086 N PRO A 71 7.342 -0.764 -8.487 1.00 0.00 N ATOM 1087 CA PRO A 71 6.287 -1.427 -9.281 1.00 0.00 C ATOM 1088 C PRO A 71 5.736 -2.622 -8.496 1.00 0.00 C ATOM 1089 O PRO A 71 5.141 -3.522 -9.054 1.00 0.00 O ATOM 1090 CB PRO A 71 7.048 -1.933 -10.507 1.00 0.00 C ATOM 1091 CG PRO A 71 8.469 -2.098 -10.057 1.00 0.00 C ATOM 1092 CD PRO A 71 8.691 -1.154 -8.913 1.00 0.00 C ATOM 0 HA PRO A 71 5.448 -0.775 -9.525 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.637 -2.878 -10.862 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.978 -1.225 -11.332 1.00 0.00 H new ATOM 0 HG2 PRO A 71 8.656 -3.126 -9.748 1.00 0.00 H new ATOM 0 HG3 PRO A 71 9.158 -1.880 -10.873 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.239 -1.635 -8.103 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.275 -0.287 -9.222 1.00 0.00 H new ATOM 1100 N SER A 72 5.919 -2.627 -7.198 1.00 0.00 N ATOM 1101 CA SER A 72 5.408 -3.762 -6.377 1.00 0.00 C ATOM 1102 C SER A 72 4.066 -3.416 -5.718 1.00 0.00 C ATOM 1103 O SER A 72 3.953 -3.367 -4.512 1.00 0.00 O ATOM 1104 CB SER A 72 6.477 -3.986 -5.311 1.00 0.00 C ATOM 1105 OG SER A 72 7.061 -2.742 -4.972 1.00 0.00 O ATOM 0 H SER A 72 6.399 -1.895 -6.675 1.00 0.00 H new ATOM 0 HA SER A 72 5.230 -4.648 -6.986 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.036 -4.448 -4.427 1.00 0.00 H new ATOM 0 HB3 SER A 72 7.240 -4.671 -5.681 1.00 0.00 H new ATOM 0 HG SER A 72 6.370 -2.139 -4.627 1.00 0.00 H new ATOM 1111 N ARG A 73 3.049 -3.208 -6.497 1.00 0.00 N ATOM 1112 CA ARG A 73 1.711 -2.896 -5.917 1.00 0.00 C ATOM 1113 C ARG A 73 1.109 -4.169 -5.320 1.00 0.00 C ATOM 1114 O ARG A 73 0.434 -4.138 -4.313 1.00 0.00 O ATOM 1115 CB ARG A 73 0.875 -2.372 -7.082 1.00 0.00 C ATOM 1116 CG ARG A 73 1.185 -3.190 -8.339 1.00 0.00 C ATOM 1117 CD ARG A 73 0.083 -2.993 -9.364 1.00 0.00 C ATOM 1118 NE ARG A 73 -0.702 -4.264 -9.339 1.00 0.00 N ATOM 1119 CZ ARG A 73 -0.617 -5.110 -10.326 1.00 0.00 C ATOM 1120 NH1 ARG A 73 0.404 -5.061 -11.139 1.00 0.00 N ATOM 1121 NH2 ARG A 73 -1.552 -6.003 -10.504 1.00 0.00 N ATOM 0 H ARG A 73 3.082 -3.240 -7.516 1.00 0.00 H new ATOM 0 HA ARG A 73 1.757 -2.160 -5.114 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -0.186 -2.441 -6.842 1.00 0.00 H new ATOM 0 HB3 ARG A 73 1.095 -1.319 -7.257 1.00 0.00 H new ATOM 0 HG2 ARG A 73 2.143 -2.882 -8.758 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.273 -4.246 -8.084 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.543 -2.138 -9.110 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.495 -2.804 -10.355 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.308 -4.470 -8.545 1.00 0.00 H new ATOM 0 HH11 ARG A 73 1.133 -4.361 -11.001 1.00 0.00 H new ATOM 0 HH12 ARG A 73 0.472 -5.723 -11.912 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.350 -6.039 -9.870 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.485 -6.665 -11.277 1.00 0.00 H new ATOM 1135 N GLU A 74 1.343 -5.295 -5.940 1.00 0.00 N ATOM 1136 CA GLU A 74 0.785 -6.569 -5.410 1.00 0.00 C ATOM 1137 C GLU A 74 1.089 -6.669 -3.923 1.00 0.00 C ATOM 1138 O GLU A 74 0.289 -7.142 -3.144 1.00 0.00 O ATOM 1139 CB GLU A 74 1.481 -7.679 -6.189 1.00 0.00 C ATOM 1140 CG GLU A 74 0.430 -8.625 -6.779 1.00 0.00 C ATOM 1141 CD GLU A 74 0.593 -8.686 -8.300 1.00 0.00 C ATOM 1142 OE1 GLU A 74 1.589 -8.179 -8.793 1.00 0.00 O ATOM 1143 OE2 GLU A 74 -0.279 -9.238 -8.947 1.00 0.00 O ATOM 0 H GLU A 74 1.897 -5.386 -6.791 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.297 -6.634 -5.526 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.090 -7.252 -6.986 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.155 -8.230 -5.534 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.541 -9.621 -6.351 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.571 -8.278 -6.524 1.00 0.00 H new ATOM 1150 N GLU A 75 2.247 -6.220 -3.521 1.00 0.00 N ATOM 1151 CA GLU A 75 2.595 -6.282 -2.079 1.00 0.00 C ATOM 1152 C GLU A 75 1.417 -5.755 -1.265 1.00 0.00 C ATOM 1153 O GLU A 75 1.090 -6.272 -0.219 1.00 0.00 O ATOM 1154 CB GLU A 75 3.805 -5.364 -1.931 1.00 0.00 C ATOM 1155 CG GLU A 75 5.016 -6.197 -1.516 1.00 0.00 C ATOM 1156 CD GLU A 75 5.397 -5.861 -0.073 1.00 0.00 C ATOM 1157 OE1 GLU A 75 4.826 -4.929 0.474 1.00 0.00 O ATOM 1158 OE2 GLU A 75 6.278 -6.523 0.454 1.00 0.00 O ATOM 0 H GLU A 75 2.961 -5.816 -4.127 1.00 0.00 H new ATOM 0 HA GLU A 75 2.813 -7.292 -1.731 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.006 -4.852 -2.872 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.604 -4.595 -1.185 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.788 -7.259 -1.605 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.855 -5.994 -2.181 1.00 0.00 H new ATOM 1165 N LEU A 76 0.749 -4.754 -1.773 1.00 0.00 N ATOM 1166 CA LEU A 76 -0.443 -4.215 -1.065 1.00 0.00 C ATOM 1167 C LEU A 76 -1.491 -5.315 -0.958 1.00 0.00 C ATOM 1168 O LEU A 76 -2.071 -5.538 0.082 1.00 0.00 O ATOM 1169 CB LEU A 76 -0.956 -3.080 -1.945 1.00 0.00 C ATOM 1170 CG LEU A 76 -0.074 -1.855 -1.757 1.00 0.00 C ATOM 1171 CD1 LEU A 76 1.291 -2.100 -2.414 1.00 0.00 C ATOM 1172 CD2 LEU A 76 -0.735 -0.637 -2.403 1.00 0.00 C ATOM 0 H LEU A 76 0.980 -4.287 -2.650 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.214 -3.866 -0.058 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.953 -3.387 -2.991 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.988 -2.842 -1.686 1.00 0.00 H new ATOM 0 HG LEU A 76 0.060 -1.671 -0.691 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.923 -1.222 -2.279 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.768 -2.964 -1.951 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.154 -2.288 -3.479 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.099 0.238 -2.266 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.874 -0.821 -3.468 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.704 -0.458 -1.936 1.00 0.00 H new ATOM 1184 N PHE A 77 -1.713 -6.029 -2.029 1.00 0.00 N ATOM 1185 CA PHE A 77 -2.707 -7.136 -1.989 1.00 0.00 C ATOM 1186 C PHE A 77 -2.334 -8.130 -0.887 1.00 0.00 C ATOM 1187 O PHE A 77 -3.184 -8.712 -0.245 1.00 0.00 O ATOM 1188 CB PHE A 77 -2.647 -7.790 -3.378 1.00 0.00 C ATOM 1189 CG PHE A 77 -2.502 -9.283 -3.228 1.00 0.00 C ATOM 1190 CD1 PHE A 77 -3.636 -10.080 -3.015 1.00 0.00 C ATOM 1191 CD2 PHE A 77 -1.232 -9.872 -3.289 1.00 0.00 C ATOM 1192 CE1 PHE A 77 -3.499 -11.465 -2.866 1.00 0.00 C ATOM 1193 CE2 PHE A 77 -1.095 -11.257 -3.139 1.00 0.00 C ATOM 1194 CZ PHE A 77 -2.228 -12.055 -2.929 1.00 0.00 C ATOM 0 H PHE A 77 -1.249 -5.893 -2.927 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.714 -6.785 -1.766 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.551 -7.557 -3.940 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.807 -7.388 -3.944 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -4.614 -9.625 -2.966 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.359 -9.257 -3.452 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.372 -12.079 -2.703 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.116 -11.711 -3.185 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.122 -13.124 -2.816 1.00 0.00 H new ATOM 1204 N GLU A 78 -1.061 -8.320 -0.670 1.00 0.00 N ATOM 1205 CA GLU A 78 -0.610 -9.254 0.393 1.00 0.00 C ATOM 1206 C GLU A 78 -0.740 -8.581 1.760 1.00 0.00 C ATOM 1207 O GLU A 78 -0.975 -9.227 2.763 1.00 0.00 O ATOM 1208 CB GLU A 78 0.846 -9.573 0.065 1.00 0.00 C ATOM 1209 CG GLU A 78 1.325 -10.730 0.945 1.00 0.00 C ATOM 1210 CD GLU A 78 2.196 -11.675 0.116 1.00 0.00 C ATOM 1211 OE1 GLU A 78 1.758 -12.072 -0.951 1.00 0.00 O ATOM 1212 OE2 GLU A 78 3.289 -11.983 0.562 1.00 0.00 O ATOM 0 H GLU A 78 -0.311 -7.863 -1.189 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.208 -10.164 0.432 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.943 -9.838 -0.988 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.468 -8.694 0.231 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.892 -10.345 1.793 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.470 -11.270 1.352 1.00 0.00 H new ATOM 1219 N ALA A 79 -0.570 -7.287 1.807 1.00 0.00 N ATOM 1220 CA ALA A 79 -0.673 -6.565 3.107 1.00 0.00 C ATOM 1221 C ALA A 79 -2.114 -6.591 3.594 1.00 0.00 C ATOM 1222 O ALA A 79 -2.386 -6.957 4.712 1.00 0.00 O ATOM 1223 CB ALA A 79 -0.230 -5.135 2.814 1.00 0.00 C ATOM 0 H ALA A 79 -0.364 -6.698 1.000 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.059 -7.020 3.884 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.281 -4.544 3.728 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.794 -5.141 2.442 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.887 -4.697 2.062 1.00 0.00 H new ATOM 1229 N ILE A 80 -3.048 -6.251 2.756 1.00 0.00 N ATOM 1230 CA ILE A 80 -4.473 -6.300 3.183 1.00 0.00 C ATOM 1231 C ILE A 80 -4.761 -7.681 3.771 1.00 0.00 C ATOM 1232 O ILE A 80 -5.513 -7.824 4.706 1.00 0.00 O ATOM 1233 CB ILE A 80 -5.286 -6.052 1.926 1.00 0.00 C ATOM 1234 CG1 ILE A 80 -5.324 -4.549 1.625 1.00 0.00 C ATOM 1235 CG2 ILE A 80 -6.708 -6.565 2.126 1.00 0.00 C ATOM 1236 CD1 ILE A 80 -3.984 -4.106 1.036 1.00 0.00 C ATOM 0 H ILE A 80 -2.889 -5.942 1.797 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.717 -5.561 3.946 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.824 -6.578 1.090 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -6.130 -4.329 0.925 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.533 -3.991 2.538 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.290 -6.386 1.222 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.683 -7.634 2.335 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.169 -6.042 2.964 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.015 -3.037 0.824 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.187 -4.311 1.751 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.793 -4.654 0.113 1.00 0.00 H new ATOM 1248 N ASN A 81 -4.147 -8.696 3.217 1.00 0.00 N ATOM 1249 CA ASN A 81 -4.346 -10.080 3.733 1.00 0.00 C ATOM 1250 C ASN A 81 -3.716 -10.174 5.116 1.00 0.00 C ATOM 1251 O ASN A 81 -4.201 -10.900 5.982 1.00 0.00 O ATOM 1252 CB ASN A 81 -3.658 -11.003 2.751 1.00 0.00 C ATOM 1253 CG ASN A 81 -3.469 -12.379 3.393 1.00 0.00 C ATOM 1254 OD1 ASN A 81 -3.749 -12.568 4.562 1.00 0.00 O ATOM 1255 ND2 ASN A 81 -3.002 -13.357 2.676 1.00 0.00 N ATOM 0 H ASN A 81 -3.511 -8.622 2.423 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.398 -10.350 3.824 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -4.252 -11.092 1.842 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -2.692 -10.589 2.461 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.872 -14.278 3.094 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.766 -13.203 1.696 1.00 0.00 H new ATOM 1262 N ASP A 82 -2.693 -9.356 5.383 1.00 0.00 N ATOM 1263 CA ASP A 82 -2.113 -9.560 6.734 1.00 0.00 C ATOM 1264 C ASP A 82 -2.784 -8.540 7.647 1.00 0.00 C ATOM 1265 O ASP A 82 -3.143 -8.933 8.772 1.00 0.00 O ATOM 1266 CB ASP A 82 -0.661 -8.883 6.522 1.00 0.00 C ATOM 1267 CG ASP A 82 0.277 -9.346 7.635 1.00 0.00 C ATOM 1268 OD1 ASP A 82 -0.112 -10.247 8.359 1.00 0.00 O ATOM 1269 OD2 ASP A 82 1.362 -8.806 7.748 1.00 0.00 O ATOM 0 H ASP A 82 -2.286 -8.638 4.784 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.169 -10.584 7.104 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.255 -9.161 5.549 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.748 -7.797 6.532 1.00 0.00 H new ATOM 1274 N GLU A 83 -3.326 -7.487 7.140 1.00 0.00 N ATOM 1275 CA GLU A 83 -4.169 -6.599 7.976 1.00 0.00 C ATOM 1276 C GLU A 83 -5.447 -7.330 8.335 1.00 0.00 C ATOM 1277 O GLU A 83 -5.859 -7.350 9.480 1.00 0.00 O ATOM 1278 CB GLU A 83 -4.516 -5.423 7.044 1.00 0.00 C ATOM 1279 CG GLU A 83 -6.024 -5.148 7.085 1.00 0.00 C ATOM 1280 CD GLU A 83 -6.452 -4.929 8.535 1.00 0.00 C ATOM 1281 OE1 GLU A 83 -5.624 -4.479 9.311 1.00 0.00 O ATOM 1282 OE2 GLU A 83 -7.591 -5.232 8.847 1.00 0.00 O ATOM 0 H GLU A 83 -3.223 -7.194 6.168 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.676 -6.285 8.896 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -3.967 -4.532 7.349 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -4.208 -5.653 6.024 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -6.263 -4.269 6.486 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -6.571 -5.986 6.654 1.00 0.00 H new ATOM 1289 N MET A 84 -6.063 -7.958 7.372 1.00 0.00 N ATOM 1290 CA MET A 84 -7.308 -8.727 7.671 1.00 0.00 C ATOM 1291 C MET A 84 -6.962 -10.088 8.304 1.00 0.00 C ATOM 1292 O MET A 84 -7.766 -10.678 9.002 1.00 0.00 O ATOM 1293 CB MET A 84 -7.964 -8.927 6.303 1.00 0.00 C ATOM 1294 CG MET A 84 -8.831 -10.189 6.311 1.00 0.00 C ATOM 1295 SD MET A 84 -8.325 -11.287 4.964 1.00 0.00 S ATOM 1296 CE MET A 84 -8.754 -10.183 3.610 1.00 0.00 C ATOM 0 H MET A 84 -5.763 -7.974 6.397 1.00 0.00 H new ATOM 0 HA MET A 84 -7.959 -8.211 8.377 1.00 0.00 H new ATOM 0 HB2 MET A 84 -8.575 -8.059 6.054 1.00 0.00 H new ATOM 0 HB3 MET A 84 -7.197 -9.009 5.533 1.00 0.00 H new ATOM 0 HG2 MET A 84 -8.733 -10.703 7.267 1.00 0.00 H new ATOM 0 HG3 MET A 84 -9.881 -9.921 6.199 1.00 0.00 H new ATOM 0 HE1 MET A 84 -9.122 -10.767 2.767 1.00 0.00 H new ATOM 0 HE2 MET A 84 -9.530 -9.490 3.937 1.00 0.00 H new ATOM 0 HE3 MET A 84 -7.871 -9.621 3.305 1.00 0.00 H new ATOM 1306 N GLU A 85 -5.776 -10.580 8.072 1.00 0.00 N ATOM 1307 CA GLU A 85 -5.386 -11.895 8.653 1.00 0.00 C ATOM 1308 C GLU A 85 -3.863 -12.056 8.628 1.00 0.00 C ATOM 1309 O GLU A 85 -3.334 -12.336 7.565 1.00 0.00 O ATOM 1310 CB GLU A 85 -6.053 -12.944 7.754 1.00 0.00 C ATOM 1311 CG GLU A 85 -6.259 -14.238 8.545 1.00 0.00 C ATOM 1312 CD GLU A 85 -7.377 -14.038 9.570 1.00 0.00 C ATOM 1313 OE1 GLU A 85 -8.413 -13.514 9.195 1.00 0.00 O ATOM 1314 OE2 GLU A 85 -7.179 -14.414 10.715 1.00 0.00 O ATOM 1315 OXT GLU A 85 -3.257 -11.898 9.672 1.00 0.00 O ATOM 0 H GLU A 85 -5.060 -10.127 7.504 1.00 0.00 H new ATOM 0 HA GLU A 85 -5.698 -11.993 9.693 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -7.011 -12.571 7.391 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -5.433 -13.135 6.878 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -6.513 -15.054 7.868 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -5.335 -14.519 9.050 1.00 0.00 H new TER 1322 GLU A 85