USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 469 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 NoAdj-H: A 43 HIS HD1 : A 43 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.106 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.26 X(o=-0.26,f=-0.37) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -2.02! K(o=-2!,f=-0.88) USER MOD Single : A 23 GLN : amide:sc= -0.148 K(o=-0.15,f=-1) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 176:sc= -0.116 (180deg=-0.144) USER MOD Single : A 34 ASN : amide:sc= -2.24 K(o=-2.2,f=-5!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc=-0.00503 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.464 36.377 12.369 1.00 0.00 N ATOM 2 CA GLY A 1 -26.987 35.025 12.146 1.00 0.00 C ATOM 3 C GLY A 1 -25.482 34.909 12.291 1.00 0.00 C ATOM 4 O GLY A 1 -24.895 35.479 13.211 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.498 36.403 12.258 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.211 36.680 13.331 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.026 37.018 11.677 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.470 34.351 12.854 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.279 34.700 11.147 1.00 0.00 H new ATOM 8 N SER A 2 -24.857 34.167 11.383 1.00 0.00 N ATOM 9 CA SER A 2 -23.412 33.974 11.417 1.00 0.00 C ATOM 10 C SER A 2 -22.920 33.326 10.127 1.00 0.00 C ATOM 11 O SER A 2 -23.713 32.835 9.324 1.00 0.00 O ATOM 12 CB SER A 2 -23.021 33.109 12.617 1.00 0.00 C ATOM 13 OG SER A 2 -21.613 33.061 12.774 1.00 0.00 O ATOM 0 H SER A 2 -25.328 33.690 10.615 1.00 0.00 H new ATOM 0 HA SER A 2 -22.941 34.952 11.514 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.478 33.510 13.522 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.410 32.099 12.484 1.00 0.00 H new ATOM 0 HG SER A 2 -21.389 32.504 13.548 1.00 0.00 H new ATOM 19 N SER A 3 -21.605 33.329 9.935 1.00 0.00 N ATOM 20 CA SER A 3 -21.005 32.745 8.741 1.00 0.00 C ATOM 21 C SER A 3 -19.604 32.219 9.038 1.00 0.00 C ATOM 22 O SER A 3 -18.863 32.805 9.825 1.00 0.00 O ATOM 23 CB SER A 3 -20.945 33.781 7.616 1.00 0.00 C ATOM 24 OG SER A 3 -20.537 33.186 6.396 1.00 0.00 O ATOM 0 H SER A 3 -20.934 33.729 10.591 1.00 0.00 H new ATOM 0 HA SER A 3 -21.628 31.909 8.423 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.924 34.242 7.490 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.251 34.576 7.886 1.00 0.00 H new ATOM 0 HG SER A 3 -20.508 33.868 5.693 1.00 0.00 H new ATOM 30 N GLY A 4 -19.248 31.108 8.400 1.00 0.00 N ATOM 31 CA GLY A 4 -17.938 30.520 8.608 1.00 0.00 C ATOM 32 C GLY A 4 -18.009 29.180 9.313 1.00 0.00 C ATOM 33 O GLY A 4 -18.407 29.102 10.475 1.00 0.00 O ATOM 0 H GLY A 4 -19.844 30.605 7.743 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.442 30.395 7.645 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.325 31.204 9.195 1.00 0.00 H new ATOM 37 N SER A 5 -17.624 28.121 8.607 1.00 0.00 N ATOM 38 CA SER A 5 -17.651 26.776 9.170 1.00 0.00 C ATOM 39 C SER A 5 -16.307 26.080 8.979 1.00 0.00 C ATOM 40 O SER A 5 -15.512 26.465 8.122 1.00 0.00 O ATOM 41 CB SER A 5 -18.763 25.950 8.520 1.00 0.00 C ATOM 42 OG SER A 5 -18.428 25.604 7.187 1.00 0.00 O ATOM 0 H SER A 5 -17.290 28.169 7.644 1.00 0.00 H new ATOM 0 HA SER A 5 -17.848 26.860 10.239 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.935 25.045 9.102 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.694 26.517 8.529 1.00 0.00 H new ATOM 0 HG SER A 5 -19.154 25.075 6.794 1.00 0.00 H new ATOM 48 N SER A 6 -16.061 25.052 9.785 1.00 0.00 N ATOM 49 CA SER A 6 -14.812 24.303 9.709 1.00 0.00 C ATOM 50 C SER A 6 -14.928 22.975 10.450 1.00 0.00 C ATOM 51 O SER A 6 -15.928 22.709 11.116 1.00 0.00 O ATOM 52 CB SER A 6 -13.662 25.127 10.292 1.00 0.00 C ATOM 53 OG SER A 6 -13.900 25.442 11.653 1.00 0.00 O ATOM 0 H SER A 6 -16.710 24.719 10.498 1.00 0.00 H new ATOM 0 HA SER A 6 -14.605 24.096 8.659 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.729 24.570 10.202 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.541 26.046 9.718 1.00 0.00 H new ATOM 0 HG SER A 6 -13.150 25.967 12.003 1.00 0.00 H new ATOM 59 N GLY A 7 -13.897 22.144 10.330 1.00 0.00 N ATOM 60 CA GLY A 7 -13.902 20.854 10.993 1.00 0.00 C ATOM 61 C GLY A 7 -12.557 20.159 10.922 1.00 0.00 C ATOM 62 O GLY A 7 -11.578 20.735 10.445 1.00 0.00 O ATOM 0 H GLY A 7 -13.058 22.342 9.785 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.184 20.987 12.038 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.660 20.218 10.537 1.00 0.00 H new ATOM 66 N ASP A 8 -12.506 18.921 11.399 1.00 0.00 N ATOM 67 CA ASP A 8 -11.270 18.147 11.388 1.00 0.00 C ATOM 68 C ASP A 8 -10.443 18.462 10.145 1.00 0.00 C ATOM 69 O ASP A 8 -10.990 18.718 9.073 1.00 0.00 O ATOM 70 CB ASP A 8 -11.580 16.650 11.444 1.00 0.00 C ATOM 71 CG ASP A 8 -10.344 15.813 11.712 1.00 0.00 C ATOM 72 OD1 ASP A 8 -9.500 16.244 12.525 1.00 0.00 O ATOM 73 OD2 ASP A 8 -10.222 14.726 11.109 1.00 0.00 O ATOM 0 H ASP A 8 -13.307 18.431 11.799 1.00 0.00 H new ATOM 0 HA ASP A 8 -10.689 18.423 12.268 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -12.318 16.464 12.224 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -12.028 16.339 10.500 1.00 0.00 H new ATOM 78 N MET A 9 -9.123 18.441 10.298 1.00 0.00 N ATOM 79 CA MET A 9 -8.221 18.724 9.188 1.00 0.00 C ATOM 80 C MET A 9 -8.765 18.148 7.884 1.00 0.00 C ATOM 81 O MET A 9 -8.638 16.956 7.604 1.00 0.00 O ATOM 82 CB MET A 9 -6.832 18.151 9.472 1.00 0.00 C ATOM 83 CG MET A 9 -6.858 16.718 9.979 1.00 0.00 C ATOM 84 SD MET A 9 -5.220 16.105 10.416 1.00 0.00 S ATOM 85 CE MET A 9 -5.334 16.082 12.204 1.00 0.00 C ATOM 0 H MET A 9 -8.655 18.231 11.179 1.00 0.00 H new ATOM 0 HA MET A 9 -8.145 19.806 9.082 1.00 0.00 H new ATOM 0 HB2 MET A 9 -6.237 18.194 8.560 1.00 0.00 H new ATOM 0 HB3 MET A 9 -6.332 18.780 10.209 1.00 0.00 H new ATOM 0 HG2 MET A 9 -7.509 16.657 10.851 1.00 0.00 H new ATOM 0 HG3 MET A 9 -7.290 16.074 9.213 1.00 0.00 H new ATOM 0 HE1 MET A 9 -4.394 15.724 12.624 1.00 0.00 H new ATOM 0 HE2 MET A 9 -5.534 17.089 12.569 1.00 0.00 H new ATOM 0 HE3 MET A 9 -6.143 15.418 12.508 1.00 0.00 H new ATOM 95 N PRO A 10 -9.387 19.011 7.068 1.00 0.00 N ATOM 96 CA PRO A 10 -9.963 18.610 5.781 1.00 0.00 C ATOM 97 C PRO A 10 -8.893 18.256 4.753 1.00 0.00 C ATOM 98 O PRO A 10 -7.717 18.572 4.932 1.00 0.00 O ATOM 99 CB PRO A 10 -10.741 19.851 5.338 1.00 0.00 C ATOM 100 CG PRO A 10 -10.063 20.988 6.023 1.00 0.00 C ATOM 101 CD PRO A 10 -9.576 20.447 7.338 1.00 0.00 C ATOM 0 HA PRO A 10 -10.578 17.715 5.871 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.715 19.969 4.255 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.790 19.784 5.626 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.234 21.365 5.425 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.752 21.819 6.174 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -8.646 20.923 7.649 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.301 20.614 8.134 1.00 0.00 H new ATOM 109 N VAL A 11 -9.310 17.599 3.675 1.00 0.00 N ATOM 110 CA VAL A 11 -8.388 17.204 2.617 1.00 0.00 C ATOM 111 C VAL A 11 -8.002 18.397 1.750 1.00 0.00 C ATOM 112 O VAL A 11 -8.525 19.498 1.923 1.00 0.00 O ATOM 113 CB VAL A 11 -8.997 16.108 1.722 1.00 0.00 C ATOM 114 CG1 VAL A 11 -9.334 14.874 2.544 1.00 0.00 C ATOM 115 CG2 VAL A 11 -10.230 16.633 1.002 1.00 0.00 C ATOM 0 H VAL A 11 -10.280 17.329 3.512 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.496 16.810 3.105 1.00 0.00 H new ATOM 0 HB VAL A 11 -8.260 15.824 0.971 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -9.763 14.111 1.895 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.427 14.487 3.009 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -10.054 15.138 3.319 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.647 15.846 0.374 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -10.974 16.945 1.735 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.953 17.484 0.380 1.00 0.00 H new ATOM 125 N ASP A 12 -7.085 18.171 0.816 1.00 0.00 N ATOM 126 CA ASP A 12 -6.630 19.227 -0.081 1.00 0.00 C ATOM 127 C ASP A 12 -5.755 18.657 -1.192 1.00 0.00 C ATOM 128 O ASP A 12 -5.090 17.634 -1.029 1.00 0.00 O ATOM 129 CB ASP A 12 -5.856 20.290 0.700 1.00 0.00 C ATOM 130 CG ASP A 12 -6.755 21.395 1.220 1.00 0.00 C ATOM 131 OD1 ASP A 12 -7.701 21.778 0.500 1.00 0.00 O ATOM 132 OD2 ASP A 12 -6.512 21.878 2.346 1.00 0.00 O ATOM 0 H ASP A 12 -6.642 17.266 0.660 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.508 19.687 -0.535 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.342 19.819 1.538 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.089 20.722 0.058 1.00 0.00 H new ATOM 137 N PRO A 13 -5.754 19.332 -2.351 1.00 0.00 N ATOM 138 CA PRO A 13 -4.965 18.911 -3.512 1.00 0.00 C ATOM 139 C PRO A 13 -3.467 19.092 -3.293 1.00 0.00 C ATOM 140 O PRO A 13 -2.655 18.362 -3.857 1.00 0.00 O ATOM 141 CB PRO A 13 -5.457 19.834 -4.630 1.00 0.00 C ATOM 142 CG PRO A 13 -5.963 21.046 -3.925 1.00 0.00 C ATOM 143 CD PRO A 13 -6.523 20.560 -2.616 1.00 0.00 C ATOM 0 HA PRO A 13 -5.094 17.850 -3.728 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -4.651 20.085 -5.320 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -6.244 19.360 -5.217 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -5.161 21.767 -3.763 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -6.729 21.549 -4.515 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -6.390 21.297 -1.824 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -7.592 20.358 -2.686 1.00 0.00 H new ATOM 151 N ASN A 14 -3.109 20.072 -2.468 1.00 0.00 N ATOM 152 CA ASN A 14 -1.708 20.349 -2.174 1.00 0.00 C ATOM 153 C ASN A 14 -0.941 19.056 -1.912 1.00 0.00 C ATOM 154 O ASN A 14 0.034 18.753 -2.599 1.00 0.00 O ATOM 155 CB ASN A 14 -1.593 21.277 -0.963 1.00 0.00 C ATOM 156 CG ASN A 14 -2.547 22.453 -1.044 1.00 0.00 C ATOM 157 OD1 ASN A 14 -3.359 22.671 -0.145 1.00 0.00 O ATOM 158 ND2 ASN A 14 -2.451 23.218 -2.125 1.00 0.00 N ATOM 0 H ASN A 14 -3.770 20.686 -1.992 1.00 0.00 H new ATOM 0 HA ASN A 14 -1.271 20.841 -3.043 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.795 20.711 -0.054 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.570 21.647 -0.888 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.066 24.025 -2.235 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.763 22.999 -2.845 1.00 0.00 H new ATOM 165 N GLU A 15 -1.389 18.299 -0.916 1.00 0.00 N ATOM 166 CA GLU A 15 -0.744 17.040 -0.564 1.00 0.00 C ATOM 167 C GLU A 15 -1.766 15.909 -0.486 1.00 0.00 C ATOM 168 O GLU A 15 -2.386 15.669 0.550 1.00 0.00 O ATOM 169 CB GLU A 15 -0.011 17.172 0.772 1.00 0.00 C ATOM 170 CG GLU A 15 1.352 17.833 0.655 1.00 0.00 C ATOM 171 CD GLU A 15 1.843 18.398 1.974 1.00 0.00 C ATOM 172 OE1 GLU A 15 1.355 19.475 2.375 1.00 0.00 O ATOM 173 OE2 GLU A 15 2.713 17.763 2.605 1.00 0.00 O ATOM 0 H GLU A 15 -2.196 18.536 -0.339 1.00 0.00 H new ATOM 0 HA GLU A 15 -0.021 16.801 -1.344 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.628 17.750 1.460 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.111 16.181 1.209 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.074 17.105 0.285 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.301 18.634 -0.082 1.00 0.00 H new ATOM 180 N PRO A 16 -1.947 15.197 -1.608 1.00 0.00 N ATOM 181 CA PRO A 16 -2.893 14.079 -1.693 1.00 0.00 C ATOM 182 C PRO A 16 -2.436 12.871 -0.883 1.00 0.00 C ATOM 183 O PRO A 16 -1.259 12.746 -0.544 1.00 0.00 O ATOM 184 CB PRO A 16 -2.914 13.745 -3.187 1.00 0.00 C ATOM 185 CG PRO A 16 -1.596 14.216 -3.699 1.00 0.00 C ATOM 186 CD PRO A 16 -1.243 15.427 -2.880 1.00 0.00 C ATOM 0 HA PRO A 16 -3.870 14.340 -1.287 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -3.043 12.675 -3.352 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -3.738 14.248 -3.693 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.837 13.440 -3.596 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.655 14.465 -4.759 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -0.166 15.513 -2.733 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.573 16.348 -3.361 1.00 0.00 H new ATOM 194 N THR A 17 -3.375 11.981 -0.576 1.00 0.00 N ATOM 195 CA THR A 17 -3.069 10.782 0.195 1.00 0.00 C ATOM 196 C THR A 17 -3.882 9.590 -0.297 1.00 0.00 C ATOM 197 O THR A 17 -5.095 9.688 -0.481 1.00 0.00 O ATOM 198 CB THR A 17 -3.344 10.994 1.695 1.00 0.00 C ATOM 199 OG1 THR A 17 -4.608 11.642 1.875 1.00 0.00 O ATOM 200 CG2 THR A 17 -2.245 11.829 2.335 1.00 0.00 C ATOM 0 H THR A 17 -4.354 12.068 -0.850 1.00 0.00 H new ATOM 0 HA THR A 17 -2.008 10.577 0.054 1.00 0.00 H new ATOM 0 HB THR A 17 -3.365 10.017 2.179 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.776 11.771 2.832 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.462 11.965 3.395 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.288 11.319 2.223 1.00 0.00 H new ATOM 0 HG23 THR A 17 -2.196 12.802 1.847 1.00 0.00 H new ATOM 208 N TYR A 18 -3.207 8.466 -0.506 1.00 0.00 N ATOM 209 CA TYR A 18 -3.867 7.255 -0.978 1.00 0.00 C ATOM 210 C TYR A 18 -3.713 6.121 0.032 1.00 0.00 C ATOM 211 O TYR A 18 -4.685 5.690 0.652 1.00 0.00 O ATOM 212 CB TYR A 18 -3.293 6.829 -2.331 1.00 0.00 C ATOM 213 CG TYR A 18 -3.383 7.902 -3.392 1.00 0.00 C ATOM 214 CD1 TYR A 18 -4.531 8.053 -4.160 1.00 0.00 C ATOM 215 CD2 TYR A 18 -2.321 8.767 -3.625 1.00 0.00 C ATOM 216 CE1 TYR A 18 -4.618 9.032 -5.131 1.00 0.00 C ATOM 217 CE2 TYR A 18 -2.399 9.750 -4.593 1.00 0.00 C ATOM 218 CZ TYR A 18 -3.549 9.878 -5.344 1.00 0.00 C ATOM 219 OH TYR A 18 -3.632 10.855 -6.309 1.00 0.00 O ATOM 0 H TYR A 18 -2.203 8.368 -0.356 1.00 0.00 H new ATOM 0 HA TYR A 18 -4.929 7.473 -1.094 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.249 6.546 -2.200 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -3.823 5.942 -2.678 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -5.370 7.393 -3.995 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.419 8.669 -3.039 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.518 9.135 -5.720 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -1.564 10.414 -4.761 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.795 11.365 -6.331 1.00 0.00 H new ATOM 229 N CYS A 19 -2.484 5.644 0.192 1.00 0.00 N ATOM 230 CA CYS A 19 -2.199 4.561 1.125 1.00 0.00 C ATOM 231 C CYS A 19 -2.885 4.805 2.466 1.00 0.00 C ATOM 232 O CYS A 19 -3.266 5.932 2.786 1.00 0.00 O ATOM 233 CB CYS A 19 -0.689 4.420 1.331 1.00 0.00 C ATOM 234 SG CYS A 19 -0.226 3.397 2.765 1.00 0.00 S ATOM 0 H CYS A 19 -1.668 5.991 -0.313 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.589 3.636 0.699 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.250 3.987 0.432 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.255 5.413 1.451 1.00 0.00 H new ATOM 239 N LEU A 20 -3.039 3.741 3.248 1.00 0.00 N ATOM 240 CA LEU A 20 -3.679 3.839 4.555 1.00 0.00 C ATOM 241 C LEU A 20 -2.978 4.874 5.429 1.00 0.00 C ATOM 242 O LEU A 20 -3.624 5.725 6.041 1.00 0.00 O ATOM 243 CB LEU A 20 -3.671 2.477 5.252 1.00 0.00 C ATOM 244 CG LEU A 20 -4.191 1.298 4.428 1.00 0.00 C ATOM 245 CD1 LEU A 20 -3.065 0.674 3.619 1.00 0.00 C ATOM 246 CD2 LEU A 20 -4.840 0.261 5.333 1.00 0.00 C ATOM 0 H LEU A 20 -2.729 2.801 2.999 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.710 4.157 4.404 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.650 2.256 5.561 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.270 2.552 6.160 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.946 1.668 3.734 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.454 -0.163 3.039 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.646 1.420 2.943 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.287 0.317 4.294 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.204 -0.571 4.730 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.106 -0.105 6.051 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.675 0.715 5.867 1.00 0.00 H new ATOM 258 N CYS A 21 -1.653 4.797 5.480 1.00 0.00 N ATOM 259 CA CYS A 21 -0.862 5.728 6.276 1.00 0.00 C ATOM 260 C CYS A 21 -1.244 7.172 5.964 1.00 0.00 C ATOM 261 O CYS A 21 -0.926 8.088 6.723 1.00 0.00 O ATOM 262 CB CYS A 21 0.630 5.515 6.016 1.00 0.00 C ATOM 263 SG CYS A 21 1.179 6.047 4.362 1.00 0.00 S ATOM 0 H CYS A 21 -1.104 4.099 4.979 1.00 0.00 H new ATOM 0 HA CYS A 21 -1.071 5.535 7.328 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.201 6.059 6.769 1.00 0.00 H new ATOM 0 HB3 CYS A 21 0.863 4.458 6.142 1.00 0.00 H new ATOM 268 N HIS A 22 -1.928 7.367 4.841 1.00 0.00 N ATOM 269 CA HIS A 22 -2.355 8.699 4.427 1.00 0.00 C ATOM 270 C HIS A 22 -1.150 9.590 4.138 1.00 0.00 C ATOM 271 O HIS A 22 -1.019 10.674 4.705 1.00 0.00 O ATOM 272 CB HIS A 22 -3.227 9.337 5.509 1.00 0.00 C ATOM 273 CG HIS A 22 -4.510 8.603 5.754 1.00 0.00 C ATOM 274 ND1 HIS A 22 -5.526 8.532 4.824 1.00 0.00 N ATOM 275 CD2 HIS A 22 -4.937 7.903 6.831 1.00 0.00 C ATOM 276 CE1 HIS A 22 -6.524 7.822 5.319 1.00 0.00 C ATOM 277 NE2 HIS A 22 -6.192 7.428 6.536 1.00 0.00 N ATOM 0 H HIS A 22 -2.198 6.620 4.202 1.00 0.00 H new ATOM 0 HA HIS A 22 -2.939 8.599 3.512 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -2.661 9.384 6.439 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.454 10.364 5.222 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -4.393 7.747 7.751 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -7.453 7.601 4.815 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -6.773 6.863 7.156 1.00 0.00 H new ATOM 286 N GLN A 23 -0.274 9.124 3.254 1.00 0.00 N ATOM 287 CA GLN A 23 0.920 9.878 2.892 1.00 0.00 C ATOM 288 C GLN A 23 0.868 10.312 1.431 1.00 0.00 C ATOM 289 O GLN A 23 0.082 9.785 0.644 1.00 0.00 O ATOM 290 CB GLN A 23 2.175 9.039 3.142 1.00 0.00 C ATOM 291 CG GLN A 23 2.543 8.919 4.612 1.00 0.00 C ATOM 292 CD GLN A 23 3.478 10.021 5.071 1.00 0.00 C ATOM 293 OE1 GLN A 23 4.374 10.437 4.336 1.00 0.00 O ATOM 294 NE2 GLN A 23 3.274 10.501 6.293 1.00 0.00 N ATOM 0 H GLN A 23 -0.369 8.228 2.775 1.00 0.00 H new ATOM 0 HA GLN A 23 0.958 10.771 3.516 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.023 8.041 2.731 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.012 9.482 2.601 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.634 8.945 5.213 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.014 7.952 4.787 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.519 10.127 6.868 1.00 0.00 H new ATOM 0 HE22 GLN A 23 3.872 11.244 6.656 1.00 0.00 H new ATOM 303 N VAL A 24 1.710 11.278 1.075 1.00 0.00 N ATOM 304 CA VAL A 24 1.760 11.782 -0.292 1.00 0.00 C ATOM 305 C VAL A 24 2.582 10.863 -1.187 1.00 0.00 C ATOM 306 O VAL A 24 3.436 10.116 -0.710 1.00 0.00 O ATOM 307 CB VAL A 24 2.357 13.201 -0.345 1.00 0.00 C ATOM 308 CG1 VAL A 24 1.581 14.141 0.565 1.00 0.00 C ATOM 309 CG2 VAL A 24 3.830 13.173 0.035 1.00 0.00 C ATOM 0 H VAL A 24 2.366 11.727 1.714 1.00 0.00 H new ATOM 0 HA VAL A 24 0.733 11.814 -0.655 1.00 0.00 H new ATOM 0 HB VAL A 24 2.275 13.573 -1.366 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.017 15.139 0.515 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.541 14.183 0.243 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.628 13.776 1.591 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.236 14.184 -0.008 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.937 12.781 1.046 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.373 12.534 -0.661 1.00 0.00 H new ATOM 319 N SER A 25 2.319 10.923 -2.489 1.00 0.00 N ATOM 320 CA SER A 25 3.033 10.093 -3.452 1.00 0.00 C ATOM 321 C SER A 25 4.530 10.087 -3.159 1.00 0.00 C ATOM 322 O SER A 25 5.243 11.035 -3.489 1.00 0.00 O ATOM 323 CB SER A 25 2.782 10.597 -4.875 1.00 0.00 C ATOM 324 OG SER A 25 3.399 9.752 -5.831 1.00 0.00 O ATOM 0 H SER A 25 1.617 11.538 -2.901 1.00 0.00 H new ATOM 0 HA SER A 25 2.659 9.073 -3.364 1.00 0.00 H new ATOM 0 HB2 SER A 25 1.710 10.643 -5.064 1.00 0.00 H new ATOM 0 HB3 SER A 25 3.168 11.611 -4.978 1.00 0.00 H new ATOM 0 HG SER A 25 3.223 10.094 -6.732 1.00 0.00 H new ATOM 330 N TYR A 26 5.000 9.011 -2.538 1.00 0.00 N ATOM 331 CA TYR A 26 6.412 8.880 -2.198 1.00 0.00 C ATOM 332 C TYR A 26 6.878 7.436 -2.352 1.00 0.00 C ATOM 333 O TYR A 26 6.085 6.501 -2.249 1.00 0.00 O ATOM 334 CB TYR A 26 6.659 9.357 -0.765 1.00 0.00 C ATOM 335 CG TYR A 26 6.417 8.290 0.278 1.00 0.00 C ATOM 336 CD1 TYR A 26 7.337 7.269 0.482 1.00 0.00 C ATOM 337 CD2 TYR A 26 5.268 8.302 1.060 1.00 0.00 C ATOM 338 CE1 TYR A 26 7.120 6.292 1.434 1.00 0.00 C ATOM 339 CE2 TYR A 26 5.044 7.330 2.015 1.00 0.00 C ATOM 340 CZ TYR A 26 5.972 6.326 2.198 1.00 0.00 C ATOM 341 OH TYR A 26 5.752 5.355 3.147 1.00 0.00 O ATOM 0 H TYR A 26 4.424 8.217 -2.260 1.00 0.00 H new ATOM 0 HA TYR A 26 6.984 9.503 -2.886 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.687 9.710 -0.680 1.00 0.00 H new ATOM 0 HB3 TYR A 26 6.012 10.209 -0.558 1.00 0.00 H new ATOM 0 HD1 TYR A 26 8.237 7.239 -0.114 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.538 9.085 0.918 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.846 5.505 1.579 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.147 7.356 2.616 1.00 0.00 H new ATOM 0 HH TYR A 26 4.899 5.525 3.598 1.00 0.00 H new ATOM 351 N GLY A 27 8.173 7.262 -2.601 1.00 0.00 N ATOM 352 CA GLY A 27 8.724 5.930 -2.765 1.00 0.00 C ATOM 353 C GLY A 27 8.016 5.139 -3.848 1.00 0.00 C ATOM 354 O GLY A 27 7.248 5.697 -4.630 1.00 0.00 O ATOM 0 H GLY A 27 8.850 8.020 -2.692 1.00 0.00 H new ATOM 0 HA2 GLY A 27 9.784 6.006 -3.009 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.652 5.391 -1.820 1.00 0.00 H new ATOM 358 N GLU A 28 8.277 3.836 -3.893 1.00 0.00 N ATOM 359 CA GLU A 28 7.660 2.969 -4.890 1.00 0.00 C ATOM 360 C GLU A 28 6.204 2.683 -4.536 1.00 0.00 C ATOM 361 O GLU A 28 5.870 2.460 -3.373 1.00 0.00 O ATOM 362 CB GLU A 28 8.436 1.655 -5.005 1.00 0.00 C ATOM 363 CG GLU A 28 9.672 1.753 -5.884 1.00 0.00 C ATOM 364 CD GLU A 28 10.270 0.396 -6.203 1.00 0.00 C ATOM 365 OE1 GLU A 28 10.807 -0.248 -5.278 1.00 0.00 O ATOM 366 OE2 GLU A 28 10.201 -0.020 -7.378 1.00 0.00 O ATOM 0 H GLU A 28 8.910 3.358 -3.252 1.00 0.00 H new ATOM 0 HA GLU A 28 7.688 3.485 -5.850 1.00 0.00 H new ATOM 0 HB2 GLU A 28 8.734 1.330 -4.008 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.775 0.886 -5.406 1.00 0.00 H new ATOM 0 HG2 GLU A 28 9.413 2.259 -6.814 1.00 0.00 H new ATOM 0 HG3 GLU A 28 10.421 2.368 -5.384 1.00 0.00 H new ATOM 373 N MET A 29 5.343 2.691 -5.548 1.00 0.00 N ATOM 374 CA MET A 29 3.922 2.432 -5.344 1.00 0.00 C ATOM 375 C MET A 29 3.396 1.441 -6.378 1.00 0.00 C ATOM 376 O MET A 29 4.082 1.122 -7.349 1.00 0.00 O ATOM 377 CB MET A 29 3.127 3.737 -5.420 1.00 0.00 C ATOM 378 CG MET A 29 3.474 4.725 -4.318 1.00 0.00 C ATOM 379 SD MET A 29 2.367 6.148 -4.287 1.00 0.00 S ATOM 380 CE MET A 29 0.939 5.448 -3.463 1.00 0.00 C ATOM 0 H MET A 29 5.604 2.874 -6.517 1.00 0.00 H new ATOM 0 HA MET A 29 3.797 1.996 -4.353 1.00 0.00 H new ATOM 0 HB2 MET A 29 3.306 4.206 -6.387 1.00 0.00 H new ATOM 0 HB3 MET A 29 2.063 3.508 -5.369 1.00 0.00 H new ATOM 0 HG2 MET A 29 3.434 4.217 -3.354 1.00 0.00 H new ATOM 0 HG3 MET A 29 4.499 5.070 -4.454 1.00 0.00 H new ATOM 0 HE1 MET A 29 0.192 6.226 -3.305 1.00 0.00 H new ATOM 0 HE2 MET A 29 0.514 4.657 -4.081 1.00 0.00 H new ATOM 0 HE3 MET A 29 1.241 5.034 -2.501 1.00 0.00 H new ATOM 390 N ILE A 30 2.177 0.959 -6.162 1.00 0.00 N ATOM 391 CA ILE A 30 1.560 0.006 -7.076 1.00 0.00 C ATOM 392 C ILE A 30 0.062 0.259 -7.205 1.00 0.00 C ATOM 393 O ILE A 30 -0.535 0.950 -6.381 1.00 0.00 O ATOM 394 CB ILE A 30 1.786 -1.445 -6.613 1.00 0.00 C ATOM 395 CG1 ILE A 30 0.872 -1.775 -5.431 1.00 0.00 C ATOM 396 CG2 ILE A 30 3.245 -1.661 -6.237 1.00 0.00 C ATOM 397 CD1 ILE A 30 1.374 -1.236 -4.110 1.00 0.00 C ATOM 0 H ILE A 30 1.597 1.213 -5.362 1.00 0.00 H new ATOM 0 HA ILE A 30 2.035 0.147 -8.047 1.00 0.00 H new ATOM 0 HB ILE A 30 1.540 -2.115 -7.437 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.121 -1.370 -5.626 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.765 -2.857 -5.356 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.388 -2.691 -5.912 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.877 -1.462 -7.103 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.516 -0.984 -5.427 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.677 -1.508 -3.318 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.354 -1.661 -3.892 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.454 -0.150 -4.167 1.00 0.00 H new ATOM 409 N GLY A 31 -0.541 -0.309 -8.246 1.00 0.00 N ATOM 410 CA GLY A 31 -1.965 -0.134 -8.464 1.00 0.00 C ATOM 411 C GLY A 31 -2.737 -1.430 -8.314 1.00 0.00 C ATOM 412 O GLY A 31 -2.480 -2.401 -9.027 1.00 0.00 O ATOM 0 H GLY A 31 -0.069 -0.887 -8.941 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.351 0.599 -7.756 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.130 0.270 -9.463 1.00 0.00 H new ATOM 416 N CYS A 32 -3.686 -1.448 -7.384 1.00 0.00 N ATOM 417 CA CYS A 32 -4.497 -2.635 -7.141 1.00 0.00 C ATOM 418 C CYS A 32 -5.141 -3.127 -8.433 1.00 0.00 C ATOM 419 O CYS A 32 -5.441 -2.339 -9.330 1.00 0.00 O ATOM 420 CB CYS A 32 -5.578 -2.334 -6.101 1.00 0.00 C ATOM 421 SG CYS A 32 -6.437 -3.813 -5.473 1.00 0.00 S ATOM 0 H CYS A 32 -3.912 -0.653 -6.786 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.844 -3.420 -6.760 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -5.123 -1.807 -5.262 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -6.313 -1.659 -6.541 1.00 0.00 H new ATOM 426 N ASP A 33 -5.352 -4.436 -8.521 1.00 0.00 N ATOM 427 CA ASP A 33 -5.962 -5.035 -9.703 1.00 0.00 C ATOM 428 C ASP A 33 -7.456 -5.256 -9.490 1.00 0.00 C ATOM 429 O ASP A 33 -8.041 -6.184 -10.047 1.00 0.00 O ATOM 430 CB ASP A 33 -5.279 -6.362 -10.038 1.00 0.00 C ATOM 431 CG ASP A 33 -5.475 -6.764 -11.487 1.00 0.00 C ATOM 432 OD1 ASP A 33 -6.534 -7.345 -11.804 1.00 0.00 O ATOM 433 OD2 ASP A 33 -4.569 -6.497 -12.303 1.00 0.00 O ATOM 0 H ASP A 33 -5.110 -5.103 -7.788 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.831 -4.347 -10.538 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.213 -6.282 -9.827 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.674 -7.144 -9.390 1.00 0.00 H new ATOM 438 N ASN A 34 -8.066 -4.398 -8.679 1.00 0.00 N ATOM 439 CA ASN A 34 -9.492 -4.501 -8.391 1.00 0.00 C ATOM 440 C ASN A 34 -10.231 -3.247 -8.847 1.00 0.00 C ATOM 441 O ASN A 34 -9.943 -2.133 -8.410 1.00 0.00 O ATOM 442 CB ASN A 34 -9.717 -4.723 -6.894 1.00 0.00 C ATOM 443 CG ASN A 34 -11.119 -5.211 -6.585 1.00 0.00 C ATOM 444 OD1 ASN A 34 -11.740 -5.902 -7.394 1.00 0.00 O ATOM 445 ND2 ASN A 34 -11.625 -4.852 -5.411 1.00 0.00 N ATOM 0 H ASN A 34 -7.596 -3.624 -8.210 1.00 0.00 H new ATOM 0 HA ASN A 34 -9.887 -5.355 -8.941 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -8.993 -5.449 -6.525 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -9.534 -3.791 -6.360 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -12.565 -5.150 -5.148 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -11.074 -4.279 -4.772 1.00 0.00 H new ATOM 452 N PRO A 35 -11.208 -3.431 -9.748 1.00 0.00 N ATOM 453 CA PRO A 35 -12.010 -2.326 -10.283 1.00 0.00 C ATOM 454 C PRO A 35 -12.950 -1.734 -9.239 1.00 0.00 C ATOM 455 O PRO A 35 -13.643 -0.750 -9.500 1.00 0.00 O ATOM 456 CB PRO A 35 -12.809 -2.982 -11.411 1.00 0.00 C ATOM 457 CG PRO A 35 -12.889 -4.420 -11.033 1.00 0.00 C ATOM 458 CD PRO A 35 -11.606 -4.731 -10.313 1.00 0.00 C ATOM 0 HA PRO A 35 -11.389 -1.493 -10.611 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.802 -2.541 -11.501 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -12.314 -2.853 -12.374 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -13.751 -4.608 -10.393 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -13.004 -5.050 -11.915 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -11.753 -5.479 -9.534 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -10.849 -5.123 -10.992 1.00 0.00 H new ATOM 466 N ASP A 36 -12.968 -2.337 -8.055 1.00 0.00 N ATOM 467 CA ASP A 36 -13.822 -1.868 -6.971 1.00 0.00 C ATOM 468 C ASP A 36 -13.024 -1.037 -5.971 1.00 0.00 C ATOM 469 O ASP A 36 -13.588 -0.239 -5.220 1.00 0.00 O ATOM 470 CB ASP A 36 -14.477 -3.053 -6.259 1.00 0.00 C ATOM 471 CG ASP A 36 -15.167 -2.646 -4.972 1.00 0.00 C ATOM 472 OD1 ASP A 36 -14.493 -2.615 -3.921 1.00 0.00 O ATOM 473 OD2 ASP A 36 -16.381 -2.358 -5.015 1.00 0.00 O ATOM 0 H ASP A 36 -12.400 -3.152 -7.822 1.00 0.00 H new ATOM 0 HA ASP A 36 -14.600 -1.238 -7.402 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -15.203 -3.517 -6.926 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -13.719 -3.805 -6.039 1.00 0.00 H new ATOM 478 N CYS A 37 -11.709 -1.229 -5.966 1.00 0.00 N ATOM 479 CA CYS A 37 -10.833 -0.499 -5.058 1.00 0.00 C ATOM 480 C CYS A 37 -10.901 1.002 -5.326 1.00 0.00 C ATOM 481 O CYS A 37 -10.719 1.450 -6.458 1.00 0.00 O ATOM 482 CB CYS A 37 -9.391 -0.989 -5.204 1.00 0.00 C ATOM 483 SG CYS A 37 -8.385 -0.797 -3.697 1.00 0.00 S ATOM 0 H CYS A 37 -11.227 -1.884 -6.581 1.00 0.00 H new ATOM 0 HA CYS A 37 -11.172 -0.684 -4.039 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -9.403 -2.041 -5.488 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -8.914 -0.444 -6.019 1.00 0.00 H new ATOM 488 N SER A 38 -11.164 1.773 -4.276 1.00 0.00 N ATOM 489 CA SER A 38 -11.259 3.223 -4.397 1.00 0.00 C ATOM 490 C SER A 38 -9.872 3.857 -4.450 1.00 0.00 C ATOM 491 O SER A 38 -9.602 4.714 -5.291 1.00 0.00 O ATOM 492 CB SER A 38 -12.053 3.803 -3.225 1.00 0.00 C ATOM 493 OG SER A 38 -12.346 5.174 -3.435 1.00 0.00 O ATOM 0 H SER A 38 -11.315 1.418 -3.332 1.00 0.00 H new ATOM 0 HA SER A 38 -11.779 3.451 -5.327 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.981 3.245 -3.099 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.483 3.687 -2.303 1.00 0.00 H new ATOM 0 HG SER A 38 -12.855 5.520 -2.673 1.00 0.00 H new ATOM 499 N ILE A 39 -8.998 3.428 -3.546 1.00 0.00 N ATOM 500 CA ILE A 39 -7.639 3.951 -3.490 1.00 0.00 C ATOM 501 C ILE A 39 -6.803 3.437 -4.657 1.00 0.00 C ATOM 502 O ILE A 39 -6.356 4.212 -5.502 1.00 0.00 O ATOM 503 CB ILE A 39 -6.944 3.573 -2.169 1.00 0.00 C ATOM 504 CG1 ILE A 39 -7.648 4.241 -0.987 1.00 0.00 C ATOM 505 CG2 ILE A 39 -5.475 3.969 -2.210 1.00 0.00 C ATOM 506 CD1 ILE A 39 -7.188 3.728 0.360 1.00 0.00 C ATOM 0 H ILE A 39 -9.207 2.720 -2.842 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.716 5.036 -3.552 1.00 0.00 H new ATOM 0 HB ILE A 39 -7.005 2.492 -2.041 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -7.478 5.317 -1.034 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.723 4.084 -1.079 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.998 3.695 -1.269 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.981 3.450 -3.032 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.392 5.046 -2.359 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -7.730 4.246 1.151 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -7.383 2.658 0.428 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.119 3.910 0.473 1.00 0.00 H new ATOM 518 N GLU A 40 -6.598 2.124 -4.698 1.00 0.00 N ATOM 519 CA GLU A 40 -5.816 1.507 -5.762 1.00 0.00 C ATOM 520 C GLU A 40 -4.429 2.135 -5.853 1.00 0.00 C ATOM 521 O GLU A 40 -3.935 2.420 -6.945 1.00 0.00 O ATOM 522 CB GLU A 40 -6.540 1.646 -7.103 1.00 0.00 C ATOM 523 CG GLU A 40 -5.948 0.786 -8.207 1.00 0.00 C ATOM 524 CD GLU A 40 -6.708 0.907 -9.513 1.00 0.00 C ATOM 525 OE1 GLU A 40 -7.043 2.047 -9.900 1.00 0.00 O ATOM 526 OE2 GLU A 40 -6.969 -0.136 -10.148 1.00 0.00 O ATOM 0 H GLU A 40 -6.962 1.468 -4.007 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.701 0.449 -5.527 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.588 1.380 -6.969 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.514 2.690 -7.414 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.909 1.073 -8.368 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.945 -0.256 -7.888 1.00 0.00 H new ATOM 533 N TRP A 41 -3.806 2.349 -4.700 1.00 0.00 N ATOM 534 CA TRP A 41 -2.475 2.944 -4.649 1.00 0.00 C ATOM 535 C TRP A 41 -1.887 2.842 -3.246 1.00 0.00 C ATOM 536 O TRP A 41 -2.485 3.306 -2.276 1.00 0.00 O ATOM 537 CB TRP A 41 -2.533 4.409 -5.086 1.00 0.00 C ATOM 538 CG TRP A 41 -2.536 4.586 -6.574 1.00 0.00 C ATOM 539 CD1 TRP A 41 -3.605 4.914 -7.358 1.00 0.00 C ATOM 540 CD2 TRP A 41 -1.418 4.442 -7.456 1.00 0.00 C ATOM 541 NE1 TRP A 41 -3.219 4.982 -8.675 1.00 0.00 N ATOM 542 CE2 TRP A 41 -1.882 4.698 -8.762 1.00 0.00 C ATOM 543 CE3 TRP A 41 -0.070 4.124 -7.271 1.00 0.00 C ATOM 544 CZ2 TRP A 41 -1.044 4.644 -9.873 1.00 0.00 C ATOM 545 CZ3 TRP A 41 0.760 4.070 -8.375 1.00 0.00 C ATOM 546 CH2 TRP A 41 0.271 4.330 -9.662 1.00 0.00 C ATOM 0 H TRP A 41 -4.201 2.120 -3.788 1.00 0.00 H new ATOM 0 HA TRP A 41 -1.830 2.393 -5.334 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -3.430 4.869 -4.671 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -1.679 4.940 -4.666 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -4.607 5.094 -6.996 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -3.829 5.207 -9.461 1.00 0.00 H new ATOM 0 HE3 TRP A 41 0.317 3.924 -6.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -1.419 4.843 -10.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 1.803 3.823 -8.243 1.00 0.00 H new ATOM 0 HH2 TRP A 41 0.945 4.282 -10.504 1.00 0.00 H new ATOM 557 N PHE A 42 -0.710 2.232 -3.146 1.00 0.00 N ATOM 558 CA PHE A 42 -0.041 2.068 -1.861 1.00 0.00 C ATOM 559 C PHE A 42 1.473 2.174 -2.019 1.00 0.00 C ATOM 560 O PHE A 42 1.983 2.347 -3.127 1.00 0.00 O ATOM 561 CB PHE A 42 -0.407 0.718 -1.240 1.00 0.00 C ATOM 562 CG PHE A 42 -1.887 0.472 -1.172 1.00 0.00 C ATOM 563 CD1 PHE A 42 -2.603 0.151 -2.314 1.00 0.00 C ATOM 564 CD2 PHE A 42 -2.563 0.561 0.035 1.00 0.00 C ATOM 565 CE1 PHE A 42 -3.965 -0.077 -2.255 1.00 0.00 C ATOM 566 CE2 PHE A 42 -3.925 0.333 0.100 1.00 0.00 C ATOM 567 CZ PHE A 42 -4.626 0.015 -1.046 1.00 0.00 C ATOM 0 H PHE A 42 -0.200 1.843 -3.939 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.377 2.867 -1.200 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.059 -0.078 -1.820 1.00 0.00 H new ATOM 0 HB3 PHE A 42 0.009 0.665 -0.234 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.091 0.078 -3.262 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.020 0.811 0.934 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.511 -0.327 -3.153 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.440 0.404 1.047 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.690 -0.162 -0.997 1.00 0.00 H new ATOM 577 N HIS A 43 2.187 2.070 -0.903 1.00 0.00 N ATOM 578 CA HIS A 43 3.643 2.153 -0.916 1.00 0.00 C ATOM 579 C HIS A 43 4.269 0.786 -0.658 1.00 0.00 C ATOM 580 O HIS A 43 3.774 0.010 0.160 1.00 0.00 O ATOM 581 CB HIS A 43 4.127 3.154 0.134 1.00 0.00 C ATOM 582 CG HIS A 43 3.432 4.479 0.063 1.00 0.00 C ATOM 583 ND1 HIS A 43 2.592 4.942 1.053 1.00 0.00 N ATOM 584 CD2 HIS A 43 3.459 5.443 -0.887 1.00 0.00 C ATOM 585 CE1 HIS A 43 2.130 6.132 0.715 1.00 0.00 C ATOM 586 NE2 HIS A 43 2.641 6.460 -0.458 1.00 0.00 N ATOM 0 H HIS A 43 1.781 1.928 0.022 1.00 0.00 H new ATOM 0 HA HIS A 43 3.953 2.494 -1.904 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.979 2.728 1.126 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.199 3.308 0.010 1.00 0.00 H new ATOM 0 HD2 HIS A 43 4.019 5.417 -1.810 1.00 0.00 H new ATOM 0 HE1 HIS A 43 1.450 6.735 1.299 1.00 0.00 H new ATOM 0 HE2 HIS A 43 2.458 7.327 -0.963 1.00 0.00 H new ATOM 594 N PHE A 44 5.358 0.497 -1.362 1.00 0.00 N ATOM 595 CA PHE A 44 6.050 -0.778 -1.211 1.00 0.00 C ATOM 596 C PHE A 44 6.376 -1.049 0.255 1.00 0.00 C ATOM 597 O PHE A 44 5.869 -2.001 0.848 1.00 0.00 O ATOM 598 CB PHE A 44 7.336 -0.786 -2.040 1.00 0.00 C ATOM 599 CG PHE A 44 7.119 -1.157 -3.479 1.00 0.00 C ATOM 600 CD1 PHE A 44 6.175 -0.491 -4.245 1.00 0.00 C ATOM 601 CD2 PHE A 44 7.858 -2.171 -4.067 1.00 0.00 C ATOM 602 CE1 PHE A 44 5.973 -0.831 -5.569 1.00 0.00 C ATOM 603 CE2 PHE A 44 7.660 -2.515 -5.391 1.00 0.00 C ATOM 604 CZ PHE A 44 6.717 -1.843 -6.143 1.00 0.00 C ATOM 0 H PHE A 44 5.781 1.128 -2.043 1.00 0.00 H new ATOM 0 HA PHE A 44 5.389 -1.567 -1.571 1.00 0.00 H new ATOM 0 HB2 PHE A 44 7.795 0.201 -1.993 1.00 0.00 H new ATOM 0 HB3 PHE A 44 8.042 -1.487 -1.595 1.00 0.00 H new ATOM 0 HD1 PHE A 44 5.591 0.302 -3.802 1.00 0.00 H new ATOM 0 HD2 PHE A 44 8.598 -2.699 -3.484 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.233 -0.305 -6.155 1.00 0.00 H new ATOM 0 HE2 PHE A 44 8.242 -3.308 -5.837 1.00 0.00 H new ATOM 0 HZ PHE A 44 6.561 -2.108 -7.178 1.00 0.00 H new ATOM 614 N ALA A 45 7.225 -0.206 0.833 1.00 0.00 N ATOM 615 CA ALA A 45 7.618 -0.354 2.229 1.00 0.00 C ATOM 616 C ALA A 45 6.406 -0.630 3.113 1.00 0.00 C ATOM 617 O ALA A 45 6.430 -1.531 3.952 1.00 0.00 O ATOM 618 CB ALA A 45 8.348 0.893 2.706 1.00 0.00 C ATOM 0 H ALA A 45 7.654 0.587 0.356 1.00 0.00 H new ATOM 0 HA ALA A 45 8.292 -1.207 2.303 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.636 0.769 3.750 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.240 1.047 2.099 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.691 1.758 2.611 1.00 0.00 H new ATOM 624 N CYS A 46 5.349 0.151 2.921 1.00 0.00 N ATOM 625 CA CYS A 46 4.128 -0.008 3.702 1.00 0.00 C ATOM 626 C CYS A 46 3.534 -1.400 3.504 1.00 0.00 C ATOM 627 O CYS A 46 3.250 -2.109 4.470 1.00 0.00 O ATOM 628 CB CYS A 46 3.103 1.057 3.308 1.00 0.00 C ATOM 629 SG CYS A 46 3.250 2.613 4.244 1.00 0.00 S ATOM 0 H CYS A 46 5.313 0.901 2.231 1.00 0.00 H new ATOM 0 HA CYS A 46 4.381 0.114 4.755 1.00 0.00 H new ATOM 0 HB2 CYS A 46 3.210 1.273 2.245 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.101 0.652 3.452 1.00 0.00 H new ATOM 634 N VAL A 47 3.348 -1.785 2.245 1.00 0.00 N ATOM 635 CA VAL A 47 2.789 -3.091 1.920 1.00 0.00 C ATOM 636 C VAL A 47 3.872 -4.164 1.906 1.00 0.00 C ATOM 637 O VAL A 47 3.793 -5.131 1.150 1.00 0.00 O ATOM 638 CB VAL A 47 2.082 -3.074 0.552 1.00 0.00 C ATOM 639 CG1 VAL A 47 0.878 -2.145 0.585 1.00 0.00 C ATOM 640 CG2 VAL A 47 3.053 -2.663 -0.545 1.00 0.00 C ATOM 0 H VAL A 47 3.577 -1.210 1.434 1.00 0.00 H new ATOM 0 HA VAL A 47 2.059 -3.325 2.695 1.00 0.00 H new ATOM 0 HB VAL A 47 1.728 -4.081 0.333 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.391 -2.146 -0.390 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.174 -2.489 1.343 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.205 -1.134 0.826 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.536 -2.656 -1.505 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.439 -1.666 -0.334 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.880 -3.372 -0.583 1.00 0.00 H new ATOM 650 N GLY A 48 4.885 -3.986 2.749 1.00 0.00 N ATOM 651 CA GLY A 48 5.970 -4.948 2.819 1.00 0.00 C ATOM 652 C GLY A 48 6.302 -5.545 1.466 1.00 0.00 C ATOM 653 O GLY A 48 6.142 -6.748 1.254 1.00 0.00 O ATOM 0 H GLY A 48 4.974 -3.193 3.384 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.857 -4.462 3.226 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.699 -5.747 3.509 1.00 0.00 H new ATOM 657 N LEU A 49 6.765 -4.704 0.547 1.00 0.00 N ATOM 658 CA LEU A 49 7.120 -5.156 -0.794 1.00 0.00 C ATOM 659 C LEU A 49 8.589 -4.873 -1.093 1.00 0.00 C ATOM 660 O LEU A 49 8.942 -3.788 -1.556 1.00 0.00 O ATOM 661 CB LEU A 49 6.234 -4.470 -1.835 1.00 0.00 C ATOM 662 CG LEU A 49 4.943 -5.201 -2.205 1.00 0.00 C ATOM 663 CD1 LEU A 49 4.129 -4.380 -3.192 1.00 0.00 C ATOM 664 CD2 LEU A 49 5.254 -6.575 -2.779 1.00 0.00 C ATOM 0 H LEU A 49 6.903 -3.706 0.706 1.00 0.00 H new ATOM 0 HA LEU A 49 6.960 -6.233 -0.843 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.973 -3.479 -1.464 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.820 -4.326 -2.743 1.00 0.00 H new ATOM 0 HG LEU A 49 4.351 -5.334 -1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.214 -4.916 -3.444 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.875 -3.419 -2.744 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.713 -4.215 -4.097 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.323 -7.081 -3.037 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.867 -6.465 -3.674 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.795 -7.165 -2.039 1.00 0.00 H new ATOM 676 N THR A 50 9.442 -5.857 -0.827 1.00 0.00 N ATOM 677 CA THR A 50 10.872 -5.715 -1.068 1.00 0.00 C ATOM 678 C THR A 50 11.150 -5.336 -2.518 1.00 0.00 C ATOM 679 O THR A 50 12.023 -4.514 -2.800 1.00 0.00 O ATOM 680 CB THR A 50 11.630 -7.014 -0.735 1.00 0.00 C ATOM 681 OG1 THR A 50 13.034 -6.831 -0.948 1.00 0.00 O ATOM 682 CG2 THR A 50 11.128 -8.168 -1.591 1.00 0.00 C ATOM 0 H THR A 50 9.167 -6.762 -0.444 1.00 0.00 H new ATOM 0 HA THR A 50 11.225 -4.919 -0.413 1.00 0.00 H new ATOM 0 HB THR A 50 11.451 -7.255 0.313 1.00 0.00 H new ATOM 0 HG1 THR A 50 13.508 -7.661 -0.733 1.00 0.00 H new ATOM 0 HG21 THR A 50 11.678 -9.075 -1.338 1.00 0.00 H new ATOM 0 HG22 THR A 50 10.065 -8.324 -1.404 1.00 0.00 H new ATOM 0 HG23 THR A 50 11.281 -7.933 -2.644 1.00 0.00 H new ATOM 690 N THR A 51 10.401 -5.938 -3.437 1.00 0.00 N ATOM 691 CA THR A 51 10.567 -5.664 -4.858 1.00 0.00 C ATOM 692 C THR A 51 9.230 -5.713 -5.588 1.00 0.00 C ATOM 693 O THR A 51 8.237 -6.207 -5.053 1.00 0.00 O ATOM 694 CB THR A 51 11.535 -6.666 -5.515 1.00 0.00 C ATOM 695 OG1 THR A 51 11.073 -8.005 -5.302 1.00 0.00 O ATOM 696 CG2 THR A 51 12.939 -6.513 -4.949 1.00 0.00 C ATOM 0 H THR A 51 9.673 -6.619 -3.221 1.00 0.00 H new ATOM 0 HA THR A 51 10.985 -4.661 -4.939 1.00 0.00 H new ATOM 0 HB THR A 51 11.567 -6.459 -6.585 1.00 0.00 H new ATOM 0 HG1 THR A 51 11.693 -8.636 -5.724 1.00 0.00 H new ATOM 0 HG21 THR A 51 13.605 -7.231 -5.428 1.00 0.00 H new ATOM 0 HG22 THR A 51 13.299 -5.502 -5.138 1.00 0.00 H new ATOM 0 HG23 THR A 51 12.920 -6.696 -3.875 1.00 0.00 H new ATOM 704 N LYS A 52 9.210 -5.200 -6.813 1.00 0.00 N ATOM 705 CA LYS A 52 7.995 -5.187 -7.618 1.00 0.00 C ATOM 706 C LYS A 52 7.405 -6.589 -7.736 1.00 0.00 C ATOM 707 O LYS A 52 8.026 -7.507 -8.272 1.00 0.00 O ATOM 708 CB LYS A 52 8.288 -4.627 -9.012 1.00 0.00 C ATOM 709 CG LYS A 52 7.071 -4.027 -9.695 1.00 0.00 C ATOM 710 CD LYS A 52 7.453 -3.284 -10.964 1.00 0.00 C ATOM 711 CE LYS A 52 6.224 -2.826 -11.733 1.00 0.00 C ATOM 712 NZ LYS A 52 6.589 -2.127 -12.997 1.00 0.00 N ATOM 0 H LYS A 52 10.023 -4.787 -7.271 1.00 0.00 H new ATOM 0 HA LYS A 52 7.267 -4.546 -7.121 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.062 -3.864 -8.932 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.689 -5.424 -9.638 1.00 0.00 H new ATOM 0 HG2 LYS A 52 6.361 -4.818 -9.935 1.00 0.00 H new ATOM 0 HG3 LYS A 52 6.568 -3.344 -9.010 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.067 -2.420 -10.710 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.059 -3.931 -11.597 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.597 -3.688 -11.963 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.632 -2.159 -11.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.724 -1.830 -13.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.166 -1.290 -12.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.132 -2.772 -13.606 1.00 0.00 H new ATOM 726 N PRO A 53 6.177 -6.759 -7.225 1.00 0.00 N ATOM 727 CA PRO A 53 5.476 -8.046 -7.262 1.00 0.00 C ATOM 728 C PRO A 53 5.049 -8.433 -8.674 1.00 0.00 C ATOM 729 O PRO A 53 4.347 -7.680 -9.349 1.00 0.00 O ATOM 730 CB PRO A 53 4.248 -7.808 -6.379 1.00 0.00 C ATOM 731 CG PRO A 53 4.017 -6.337 -6.441 1.00 0.00 C ATOM 732 CD PRO A 53 5.377 -5.709 -6.572 1.00 0.00 C ATOM 0 HA PRO A 53 6.110 -8.865 -6.922 1.00 0.00 H new ATOM 0 HB2 PRO A 53 3.383 -8.361 -6.746 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.426 -8.138 -5.356 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.384 -6.077 -7.289 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.509 -5.984 -5.544 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.343 -4.799 -7.171 1.00 0.00 H new ATOM 0 HD3 PRO A 53 5.789 -5.436 -5.600 1.00 0.00 H new ATOM 740 N ARG A 54 5.477 -9.611 -9.115 1.00 0.00 N ATOM 741 CA ARG A 54 5.139 -10.097 -10.448 1.00 0.00 C ATOM 742 C ARG A 54 3.694 -10.586 -10.498 1.00 0.00 C ATOM 743 O ARG A 54 3.138 -11.016 -9.489 1.00 0.00 O ATOM 744 CB ARG A 54 6.086 -11.227 -10.857 1.00 0.00 C ATOM 745 CG ARG A 54 5.905 -11.682 -12.296 1.00 0.00 C ATOM 746 CD ARG A 54 7.018 -12.625 -12.726 1.00 0.00 C ATOM 747 NE ARG A 54 8.297 -11.934 -12.869 1.00 0.00 N ATOM 748 CZ ARG A 54 8.665 -11.291 -13.971 1.00 0.00 C ATOM 749 NH1 ARG A 54 7.857 -11.251 -15.021 1.00 0.00 N ATOM 750 NH2 ARG A 54 9.845 -10.686 -14.024 1.00 0.00 N ATOM 0 H ARG A 54 6.058 -10.247 -8.569 1.00 0.00 H new ATOM 0 HA ARG A 54 5.249 -9.269 -11.148 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.115 -10.896 -10.716 1.00 0.00 H new ATOM 0 HB3 ARG A 54 5.931 -12.078 -10.194 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.942 -12.181 -12.402 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.888 -10.813 -12.954 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.118 -13.425 -11.993 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.751 -13.093 -13.674 1.00 0.00 H new ATOM 0 HE ARG A 54 8.943 -11.946 -12.079 1.00 0.00 H new ATOM 0 HH11 ARG A 54 6.949 -11.715 -14.984 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.143 -10.756 -15.866 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.470 -10.715 -13.218 1.00 0.00 H new ATOM 0 HH22 ARG A 54 10.127 -10.192 -14.871 1.00 0.00 H new ATOM 764 N GLY A 55 3.092 -10.515 -11.681 1.00 0.00 N ATOM 765 CA GLY A 55 1.718 -10.953 -11.841 1.00 0.00 C ATOM 766 C GLY A 55 0.721 -9.934 -11.327 1.00 0.00 C ATOM 767 O GLY A 55 0.997 -8.734 -11.316 1.00 0.00 O ATOM 0 H GLY A 55 3.531 -10.162 -12.531 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.523 -11.148 -12.895 1.00 0.00 H new ATOM 0 HA3 GLY A 55 1.576 -11.895 -11.311 1.00 0.00 H new ATOM 771 N LYS A 56 -0.444 -10.410 -10.900 1.00 0.00 N ATOM 772 CA LYS A 56 -1.487 -9.533 -10.382 1.00 0.00 C ATOM 773 C LYS A 56 -1.304 -9.295 -8.886 1.00 0.00 C ATOM 774 O LYS A 56 -1.203 -10.241 -8.105 1.00 0.00 O ATOM 775 CB LYS A 56 -2.868 -10.136 -10.648 1.00 0.00 C ATOM 776 CG LYS A 56 -2.973 -11.604 -10.271 1.00 0.00 C ATOM 777 CD LYS A 56 -4.422 -12.037 -10.117 1.00 0.00 C ATOM 778 CE LYS A 56 -5.007 -12.507 -11.439 1.00 0.00 C ATOM 779 NZ LYS A 56 -4.613 -13.908 -11.754 1.00 0.00 N ATOM 0 H LYS A 56 -0.690 -11.400 -10.903 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.410 -8.575 -10.897 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -3.615 -9.572 -10.090 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -3.107 -10.023 -11.705 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -2.490 -12.213 -11.035 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.438 -11.780 -9.338 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.487 -12.840 -9.383 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.012 -11.205 -9.732 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.094 -12.435 -11.401 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.672 -11.847 -12.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.032 -14.190 -12.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.577 -13.972 -11.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.955 -14.542 -11.004 1.00 0.00 H new ATOM 793 N TRP A 57 -1.263 -8.026 -8.495 1.00 0.00 N ATOM 794 CA TRP A 57 -1.094 -7.665 -7.092 1.00 0.00 C ATOM 795 C TRP A 57 -2.383 -7.085 -6.520 1.00 0.00 C ATOM 796 O TRP A 57 -3.031 -6.249 -7.149 1.00 0.00 O ATOM 797 CB TRP A 57 0.046 -6.656 -6.938 1.00 0.00 C ATOM 798 CG TRP A 57 0.312 -6.273 -5.514 1.00 0.00 C ATOM 799 CD1 TRP A 57 1.142 -6.909 -4.635 1.00 0.00 C ATOM 800 CD2 TRP A 57 -0.257 -5.167 -4.803 1.00 0.00 C ATOM 801 NE1 TRP A 57 1.124 -6.265 -3.421 1.00 0.00 N ATOM 802 CE2 TRP A 57 0.274 -5.193 -3.499 1.00 0.00 C ATOM 803 CE3 TRP A 57 -1.161 -4.157 -5.143 1.00 0.00 C ATOM 804 CZ2 TRP A 57 -0.071 -4.249 -2.536 1.00 0.00 C ATOM 805 CZ3 TRP A 57 -1.503 -3.221 -4.186 1.00 0.00 C ATOM 806 CH2 TRP A 57 -0.959 -3.271 -2.895 1.00 0.00 C ATOM 0 H TRP A 57 -1.344 -7.231 -9.129 1.00 0.00 H new ATOM 0 HA TRP A 57 -0.847 -8.570 -6.537 1.00 0.00 H new ATOM 0 HB2 TRP A 57 0.954 -7.076 -7.369 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -0.193 -5.759 -7.509 1.00 0.00 H new ATOM 0 HD1 TRP A 57 1.726 -7.789 -4.861 1.00 0.00 H new ATOM 0 HE1 TRP A 57 1.657 -6.540 -2.596 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -1.584 -4.109 -6.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 0.347 -4.287 -1.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -2.202 -2.437 -4.437 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -1.246 -2.524 -2.170 1.00 0.00 H new ATOM 817 N PHE A 58 -2.749 -7.535 -5.324 1.00 0.00 N ATOM 818 CA PHE A 58 -3.962 -7.061 -4.668 1.00 0.00 C ATOM 819 C PHE A 58 -3.641 -6.456 -3.305 1.00 0.00 C ATOM 820 O PHE A 58 -3.039 -7.106 -2.450 1.00 0.00 O ATOM 821 CB PHE A 58 -4.961 -8.209 -4.507 1.00 0.00 C ATOM 822 CG PHE A 58 -5.436 -8.778 -5.813 1.00 0.00 C ATOM 823 CD1 PHE A 58 -6.327 -8.074 -6.608 1.00 0.00 C ATOM 824 CD2 PHE A 58 -4.991 -10.016 -6.247 1.00 0.00 C ATOM 825 CE1 PHE A 58 -6.766 -8.596 -7.810 1.00 0.00 C ATOM 826 CE2 PHE A 58 -5.426 -10.543 -7.449 1.00 0.00 C ATOM 827 CZ PHE A 58 -6.314 -9.832 -8.232 1.00 0.00 C ATOM 0 H PHE A 58 -2.223 -8.227 -4.790 1.00 0.00 H new ATOM 0 HA PHE A 58 -4.406 -6.287 -5.294 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.498 -9.003 -3.921 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -5.822 -7.854 -3.940 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -6.682 -7.107 -6.284 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -4.296 -10.576 -5.639 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.462 -8.038 -8.419 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.072 -11.510 -7.775 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.654 -10.241 -9.172 1.00 0.00 H new ATOM 837 N CYS A 59 -4.048 -5.206 -3.108 1.00 0.00 N ATOM 838 CA CYS A 59 -3.805 -4.511 -1.850 1.00 0.00 C ATOM 839 C CYS A 59 -4.205 -5.380 -0.662 1.00 0.00 C ATOM 840 O CYS A 59 -5.064 -6.257 -0.763 1.00 0.00 O ATOM 841 CB CYS A 59 -4.579 -3.192 -1.815 1.00 0.00 C ATOM 842 SG CYS A 59 -6.363 -3.385 -1.503 1.00 0.00 S ATOM 0 H CYS A 59 -4.548 -4.654 -3.805 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.738 -4.301 -1.780 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.153 -2.553 -1.041 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.441 -2.677 -2.766 1.00 0.00 H new ATOM 847 N PRO A 60 -3.569 -5.133 0.493 1.00 0.00 N ATOM 848 CA PRO A 60 -3.842 -5.882 1.723 1.00 0.00 C ATOM 849 C PRO A 60 -5.217 -5.566 2.300 1.00 0.00 C ATOM 850 O PRO A 60 -5.570 -6.037 3.382 1.00 0.00 O ATOM 851 CB PRO A 60 -2.741 -5.411 2.677 1.00 0.00 C ATOM 852 CG PRO A 60 -2.362 -4.058 2.179 1.00 0.00 C ATOM 853 CD PRO A 60 -2.534 -4.103 0.686 1.00 0.00 C ATOM 0 HA PRO A 60 -3.845 -6.959 1.553 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.100 -5.368 3.705 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -1.889 -6.091 2.665 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -2.994 -3.288 2.622 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.333 -3.818 2.446 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -2.848 -3.138 0.288 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -1.604 -4.368 0.182 1.00 0.00 H new ATOM 861 N ARG A 61 -5.991 -4.767 1.572 1.00 0.00 N ATOM 862 CA ARG A 61 -7.328 -4.389 2.013 1.00 0.00 C ATOM 863 C ARG A 61 -8.394 -5.155 1.235 1.00 0.00 C ATOM 864 O ARG A 61 -9.520 -5.321 1.704 1.00 0.00 O ATOM 865 CB ARG A 61 -7.538 -2.884 1.839 1.00 0.00 C ATOM 866 CG ARG A 61 -6.670 -2.037 2.756 1.00 0.00 C ATOM 867 CD ARG A 61 -7.213 -0.623 2.888 1.00 0.00 C ATOM 868 NE ARG A 61 -7.512 -0.028 1.588 1.00 0.00 N ATOM 869 CZ ARG A 61 -8.398 0.946 1.412 1.00 0.00 C ATOM 870 NH1 ARG A 61 -9.068 1.432 2.447 1.00 0.00 N ATOM 871 NH2 ARG A 61 -8.615 1.435 0.198 1.00 0.00 N ATOM 0 H ARG A 61 -5.715 -4.369 0.674 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.421 -4.643 3.069 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.329 -2.614 0.804 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -8.586 -2.648 2.025 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.618 -2.501 3.741 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.653 -2.002 2.366 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.117 -0.637 3.497 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.486 -0.003 3.412 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.013 -0.380 0.771 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.904 1.058 3.382 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.748 2.180 2.309 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.101 1.063 -0.601 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.295 2.183 0.064 1.00 0.00 H new ATOM 885 N CYS A 62 -8.031 -5.620 0.045 1.00 0.00 N ATOM 886 CA CYS A 62 -8.955 -6.368 -0.799 1.00 0.00 C ATOM 887 C CYS A 62 -8.785 -7.871 -0.593 1.00 0.00 C ATOM 888 O CYS A 62 -9.763 -8.600 -0.432 1.00 0.00 O ATOM 889 CB CYS A 62 -8.733 -6.016 -2.271 1.00 0.00 C ATOM 890 SG CYS A 62 -9.212 -4.313 -2.709 1.00 0.00 S ATOM 0 H CYS A 62 -7.102 -5.492 -0.357 1.00 0.00 H new ATOM 0 HA CYS A 62 -9.971 -6.093 -0.516 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -7.680 -6.159 -2.513 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -9.300 -6.712 -2.889 1.00 0.00 H new ATOM 895 N SER A 63 -7.536 -8.326 -0.600 1.00 0.00 N ATOM 896 CA SER A 63 -7.237 -9.741 -0.418 1.00 0.00 C ATOM 897 C SER A 63 -7.751 -10.235 0.931 1.00 0.00 C ATOM 898 O SER A 63 -8.142 -11.394 1.071 1.00 0.00 O ATOM 899 CB SER A 63 -5.731 -9.984 -0.523 1.00 0.00 C ATOM 900 OG SER A 63 -5.392 -11.289 -0.085 1.00 0.00 O ATOM 0 H SER A 63 -6.715 -7.735 -0.730 1.00 0.00 H new ATOM 0 HA SER A 63 -7.743 -10.298 -1.207 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.409 -9.849 -1.556 1.00 0.00 H new ATOM 0 HB3 SER A 63 -5.198 -9.246 0.076 1.00 0.00 H new ATOM 0 HG SER A 63 -4.424 -11.419 -0.164 1.00 0.00 H new ATOM 906 N GLN A 64 -7.745 -9.348 1.921 1.00 0.00 N ATOM 907 CA GLN A 64 -8.209 -9.693 3.259 1.00 0.00 C ATOM 908 C GLN A 64 -9.730 -9.612 3.346 1.00 0.00 C ATOM 909 O GLN A 64 -10.279 -9.137 4.339 1.00 0.00 O ATOM 910 CB GLN A 64 -7.577 -8.764 4.297 1.00 0.00 C ATOM 911 CG GLN A 64 -7.616 -9.317 5.712 1.00 0.00 C ATOM 912 CD GLN A 64 -7.010 -8.368 6.726 1.00 0.00 C ATOM 913 OE1 GLN A 64 -7.446 -7.224 6.862 1.00 0.00 O ATOM 914 NE2 GLN A 64 -5.997 -8.837 7.446 1.00 0.00 N ATOM 0 H GLN A 64 -7.424 -8.385 1.821 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.905 -10.719 3.468 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.540 -8.574 4.019 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -8.094 -7.805 4.276 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -8.650 -9.526 5.988 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -7.080 -10.266 5.742 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -5.667 -9.791 7.301 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.549 -8.243 8.144 1.00 0.00 H new ATOM 923 N GLU A 65 -10.403 -10.078 2.299 1.00 0.00 N ATOM 924 CA GLU A 65 -11.861 -10.057 2.258 1.00 0.00 C ATOM 925 C GLU A 65 -12.436 -11.419 2.632 1.00 0.00 C ATOM 926 O GLU A 65 -11.778 -12.448 2.473 1.00 0.00 O ATOM 927 CB GLU A 65 -12.348 -9.650 0.865 1.00 0.00 C ATOM 928 CG GLU A 65 -13.861 -9.649 0.726 1.00 0.00 C ATOM 929 CD GLU A 65 -14.514 -8.500 1.469 1.00 0.00 C ATOM 930 OE1 GLU A 65 -14.756 -8.643 2.686 1.00 0.00 O ATOM 931 OE2 GLU A 65 -14.784 -7.459 0.835 1.00 0.00 O ATOM 0 H GLU A 65 -9.963 -10.474 1.469 1.00 0.00 H new ATOM 0 HA GLU A 65 -12.209 -9.324 2.986 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -11.970 -8.654 0.633 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.924 -10.332 0.128 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -14.125 -9.591 -0.330 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -14.257 -10.592 1.102 1.00 0.00 H new ATOM 938 N SER A 66 -13.668 -11.418 3.131 1.00 0.00 N ATOM 939 CA SER A 66 -14.331 -12.653 3.532 1.00 0.00 C ATOM 940 C SER A 66 -14.064 -13.766 2.524 1.00 0.00 C ATOM 941 O SER A 66 -13.498 -14.804 2.864 1.00 0.00 O ATOM 942 CB SER A 66 -15.838 -12.426 3.671 1.00 0.00 C ATOM 943 OG SER A 66 -16.162 -11.918 4.954 1.00 0.00 O ATOM 0 H SER A 66 -14.227 -10.576 3.267 1.00 0.00 H new ATOM 0 HA SER A 66 -13.926 -12.956 4.497 1.00 0.00 H new ATOM 0 HB2 SER A 66 -16.176 -11.729 2.905 1.00 0.00 H new ATOM 0 HB3 SER A 66 -16.367 -13.364 3.504 1.00 0.00 H new ATOM 0 HG SER A 66 -17.130 -11.780 5.016 1.00 0.00 H new ATOM 949 N GLY A 67 -14.477 -13.541 1.280 1.00 0.00 N ATOM 950 CA GLY A 67 -14.273 -14.533 0.240 1.00 0.00 C ATOM 951 C GLY A 67 -15.000 -15.832 0.528 1.00 0.00 C ATOM 952 O GLY A 67 -14.487 -16.717 1.213 1.00 0.00 O ATOM 0 H GLY A 67 -14.949 -12.690 0.974 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -14.616 -14.131 -0.713 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.206 -14.732 0.136 1.00 0.00 H new ATOM 956 N PRO A 68 -16.226 -15.959 -0.002 1.00 0.00 N ATOM 957 CA PRO A 68 -17.051 -17.155 0.189 1.00 0.00 C ATOM 958 C PRO A 68 -16.497 -18.366 -0.555 1.00 0.00 C ATOM 959 O PRO A 68 -16.229 -18.300 -1.754 1.00 0.00 O ATOM 960 CB PRO A 68 -18.408 -16.746 -0.391 1.00 0.00 C ATOM 961 CG PRO A 68 -18.091 -15.679 -1.380 1.00 0.00 C ATOM 962 CD PRO A 68 -16.900 -14.944 -0.830 1.00 0.00 C ATOM 0 HA PRO A 68 -17.093 -17.459 1.235 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -18.906 -17.591 -0.866 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -19.077 -16.378 0.387 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -17.868 -16.107 -2.357 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -18.938 -15.006 -1.512 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -16.251 -14.578 -1.626 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -17.199 -14.078 -0.240 1.00 0.00 H new ATOM 970 N SER A 69 -16.329 -19.471 0.165 1.00 0.00 N ATOM 971 CA SER A 69 -15.804 -20.696 -0.426 1.00 0.00 C ATOM 972 C SER A 69 -16.932 -21.550 -0.997 1.00 0.00 C ATOM 973 O SER A 69 -17.929 -21.812 -0.325 1.00 0.00 O ATOM 974 CB SER A 69 -15.022 -21.496 0.617 1.00 0.00 C ATOM 975 OG SER A 69 -15.896 -22.135 1.531 1.00 0.00 O ATOM 0 H SER A 69 -16.549 -19.543 1.158 1.00 0.00 H new ATOM 0 HA SER A 69 -15.133 -20.419 -1.239 1.00 0.00 H new ATOM 0 HB2 SER A 69 -14.403 -22.242 0.118 1.00 0.00 H new ATOM 0 HB3 SER A 69 -14.347 -20.832 1.158 1.00 0.00 H new ATOM 0 HG SER A 69 -15.371 -22.641 2.186 1.00 0.00 H new ATOM 981 N SER A 70 -16.766 -21.981 -2.243 1.00 0.00 N ATOM 982 CA SER A 70 -17.771 -22.802 -2.908 1.00 0.00 C ATOM 983 C SER A 70 -17.490 -24.286 -2.691 1.00 0.00 C ATOM 984 O SER A 70 -16.415 -24.781 -3.026 1.00 0.00 O ATOM 985 CB SER A 70 -17.804 -22.492 -4.406 1.00 0.00 C ATOM 986 OG SER A 70 -19.034 -22.895 -4.983 1.00 0.00 O ATOM 0 H SER A 70 -15.945 -21.775 -2.813 1.00 0.00 H new ATOM 0 HA SER A 70 -18.743 -22.566 -2.474 1.00 0.00 H new ATOM 0 HB2 SER A 70 -17.658 -21.423 -4.563 1.00 0.00 H new ATOM 0 HB3 SER A 70 -16.980 -23.003 -4.905 1.00 0.00 H new ATOM 0 HG SER A 70 -19.031 -22.685 -5.940 1.00 0.00 H new ATOM 992 N GLY A 71 -18.467 -24.991 -2.128 1.00 0.00 N ATOM 993 CA GLY A 71 -18.306 -26.411 -1.875 1.00 0.00 C ATOM 994 C GLY A 71 -16.964 -26.741 -1.252 1.00 0.00 C ATOM 995 O GLY A 71 -16.933 -27.368 -0.194 1.00 0.00 O ATOM 0 H GLY A 71 -19.367 -24.604 -1.843 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -19.103 -26.752 -1.214 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -18.412 -26.958 -2.812 1.00 0.00 H new TER 999 GLY A 71 HETATM 1000 ZN ZN A 201 1.967 4.212 3.170 1.00 0.00 ZN HETATM 1001 ZN ZN A 401 -7.471 -2.982 -3.508 1.00 0.00 ZN