USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 620 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 59 ASN : amide:sc= 0.454 K(o=-0.68,f=-13!) USER MOD Set 1.2: A 62 ASN : amide:sc= -1.13 K(o=-0.68,f=-5.5!) USER MOD Set 2.1: A 47 SER OG : rot 114:sc= 0.749 USER MOD Set 2.2: A 49 HIS : no HE2:sc= -0.5 K(o=0.25,f=-1.7) USER MOD Set 3.1: A 30 LYS NZ :NH3+ -167:sc= 1.06 (180deg=0.878) USER MOD Set 3.2: A 46 CYS SG : rot -140:sc= -1.15 USER MOD Set 4.1: A 24 ASN : amide:sc= -0.323 K(o=0.11,f=-1.7) USER MOD Set 4.2: A 78 GLN : amide:sc= 0.429 K(o=0.11,f=-0.82) USER MOD Set 5.1: A 16 SER OG : rot 180:sc= -0.623 USER MOD Set 5.2: A 56 GLN : amide:sc= 1.56 K(o=0.93,f=-2!) USER MOD Single : A 7 ASN : amide:sc= -0.945 K(o=-0.95,f=-3.9!) USER MOD Single : A 8 LYS NZ :NH3+ -157:sc= -0.0857 (180deg=-0.46) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc=-0.00655 USER MOD Single : A 14 MET CE :methyl 176:sc= -0.737 (180deg=-0.764) USER MOD Single : A 15 ASN : amide:sc= 1.03 K(o=1,f=-1.6) USER MOD Single : A 22 ASN : amide:sc= 0.762 K(o=0.76,f=-0.077) USER MOD Single : A 25 THR OG1 : rot 110:sc= 0.421 USER MOD Single : A 29 LYS NZ :NH3+ 145:sc= 1.14 (180deg=0.209) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -33:sc= 0.247 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0335) USER MOD Single : A 57 TYR OH : rot 5:sc= 0.842 USER MOD Single : A 74 MET CE :methyl -134:sc= -0.0636 (180deg=-1.14) USER MOD Single : A 83 ASN : amide:sc= 0.605 K(o=0.61,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 67 N ASN A 7 -4.436 11.811 6.480 1.00 0.00 N ATOM 68 CA ASN A 7 -4.821 11.687 7.881 1.00 0.00 C ATOM 69 C ASN A 7 -5.371 12.983 8.484 1.00 0.00 C ATOM 70 O ASN A 7 -5.466 13.094 9.707 1.00 0.00 O ATOM 71 CB ASN A 7 -3.667 11.102 8.700 1.00 0.00 C ATOM 72 CG ASN A 7 -2.445 12.005 8.748 1.00 0.00 C ATOM 73 OD1 ASN A 7 -2.428 13.082 8.158 1.00 0.00 O ATOM 74 ND2 ASN A 7 -1.405 11.572 9.453 1.00 0.00 N ATOM 0 HA ASN A 7 -5.658 10.989 7.922 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.011 10.914 9.717 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -3.382 10.139 8.277 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -0.560 12.139 9.516 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -1.452 10.672 9.931 1.00 0.00 H new ATOM 81 N LYS A 8 -5.735 13.962 7.650 1.00 0.00 N ATOM 82 CA LYS A 8 -6.377 15.191 8.118 1.00 0.00 C ATOM 83 C LYS A 8 -7.749 14.848 8.694 1.00 0.00 C ATOM 84 O LYS A 8 -8.225 13.727 8.534 1.00 0.00 O ATOM 85 CB LYS A 8 -6.511 16.186 6.958 1.00 0.00 C ATOM 86 CG LYS A 8 -5.285 17.086 6.748 1.00 0.00 C ATOM 87 CD LYS A 8 -3.979 16.328 6.485 1.00 0.00 C ATOM 88 CE LYS A 8 -3.275 15.902 7.777 1.00 0.00 C ATOM 89 NZ LYS A 8 -2.830 17.067 8.570 1.00 0.00 N ATOM 0 H LYS A 8 -5.594 13.925 6.640 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.768 15.654 8.895 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.700 15.631 6.039 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.383 16.816 7.135 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.479 17.753 5.908 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.155 17.714 7.630 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.191 15.445 5.883 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.308 16.959 5.901 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.952 15.292 8.375 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.415 15.278 7.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.052 16.782 9.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.501 17.818 7.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.624 17.422 9.141 1.00 0.00 H new ATOM 103 N THR A 9 -8.399 15.800 9.362 1.00 0.00 N ATOM 104 CA THR A 9 -9.690 15.544 9.999 1.00 0.00 C ATOM 105 C THR A 9 -10.713 16.622 9.650 1.00 0.00 C ATOM 106 O THR A 9 -11.615 16.905 10.437 1.00 0.00 O ATOM 107 CB THR A 9 -9.522 15.363 11.511 1.00 0.00 C ATOM 108 OG1 THR A 9 -8.874 16.487 12.071 1.00 0.00 O ATOM 109 CG2 THR A 9 -8.696 14.110 11.812 1.00 0.00 C ATOM 0 H THR A 9 -8.054 16.753 9.476 1.00 0.00 H new ATOM 0 HA THR A 9 -10.085 14.608 9.603 1.00 0.00 H new ATOM 0 HB THR A 9 -10.514 15.257 11.951 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.774 16.359 13.038 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.587 13.997 12.891 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.202 13.234 11.405 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.711 14.205 11.355 1.00 0.00 H new ATOM 117 N ASP A 10 -10.572 17.225 8.468 1.00 0.00 N ATOM 118 CA ASP A 10 -11.490 18.248 7.995 1.00 0.00 C ATOM 119 C ASP A 10 -12.843 17.631 7.625 1.00 0.00 C ATOM 120 O ASP A 10 -12.909 16.451 7.274 1.00 0.00 O ATOM 121 CB ASP A 10 -10.861 18.975 6.805 1.00 0.00 C ATOM 122 CG ASP A 10 -9.635 19.775 7.239 1.00 0.00 C ATOM 123 OD1 ASP A 10 -9.836 20.914 7.719 1.00 0.00 O ATOM 124 OD2 ASP A 10 -8.514 19.244 7.089 1.00 0.00 O ATOM 0 H ASP A 10 -9.816 17.014 7.816 1.00 0.00 H new ATOM 0 HA ASP A 10 -11.673 18.971 8.790 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -10.576 18.251 6.041 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -11.594 19.643 6.353 1.00 0.00 H new ATOM 129 N PRO A 11 -13.928 18.418 7.700 1.00 0.00 N ATOM 130 CA PRO A 11 -15.294 17.954 7.515 1.00 0.00 C ATOM 131 C PRO A 11 -15.593 17.470 6.093 1.00 0.00 C ATOM 132 O PRO A 11 -16.674 16.934 5.848 1.00 0.00 O ATOM 133 CB PRO A 11 -16.174 19.148 7.881 1.00 0.00 C ATOM 134 CG PRO A 11 -15.284 20.355 7.596 1.00 0.00 C ATOM 135 CD PRO A 11 -13.906 19.839 7.995 1.00 0.00 C ATOM 0 HA PRO A 11 -15.481 17.081 8.140 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -17.085 19.172 7.283 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -16.480 19.114 8.927 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -15.321 20.650 6.547 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -15.578 21.226 8.182 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.119 20.345 7.435 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.710 20.018 9.052 1.00 0.00 H new ATOM 143 N ARG A 12 -14.657 17.647 5.153 1.00 0.00 N ATOM 144 CA ARG A 12 -14.820 17.137 3.792 1.00 0.00 C ATOM 145 C ARG A 12 -13.667 16.225 3.394 1.00 0.00 C ATOM 146 O ARG A 12 -13.764 15.522 2.391 1.00 0.00 O ATOM 147 CB ARG A 12 -15.015 18.299 2.808 1.00 0.00 C ATOM 148 CG ARG A 12 -13.783 19.195 2.639 1.00 0.00 C ATOM 149 CD ARG A 12 -12.814 18.640 1.594 1.00 0.00 C ATOM 150 NE ARG A 12 -11.688 19.557 1.389 1.00 0.00 N ATOM 151 CZ ARG A 12 -10.866 19.510 0.336 1.00 0.00 C ATOM 152 NH1 ARG A 12 -11.034 18.595 -0.617 1.00 0.00 N ATOM 153 NH2 ARG A 12 -9.868 20.381 0.235 1.00 0.00 N ATOM 0 H ARG A 12 -13.779 18.141 5.313 1.00 0.00 H new ATOM 0 HA ARG A 12 -15.719 16.522 3.758 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -15.291 17.893 1.835 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -15.851 18.911 3.147 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -14.099 20.196 2.345 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -13.270 19.291 3.596 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -12.443 17.667 1.916 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -13.339 18.485 0.651 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.522 20.275 2.094 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -11.796 17.921 -0.548 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.401 18.569 -1.416 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.730 21.085 0.960 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.240 20.346 -0.568 1.00 0.00 H new ATOM 167 N SER A 13 -12.579 16.225 4.169 1.00 0.00 N ATOM 168 CA SER A 13 -11.435 15.365 3.895 1.00 0.00 C ATOM 169 C SER A 13 -11.615 13.996 4.542 1.00 0.00 C ATOM 170 O SER A 13 -11.024 13.016 4.100 1.00 0.00 O ATOM 171 CB SER A 13 -10.150 16.040 4.373 1.00 0.00 C ATOM 172 OG SER A 13 -10.020 17.301 3.747 1.00 0.00 O ATOM 0 H SER A 13 -12.471 16.815 4.994 1.00 0.00 H new ATOM 0 HA SER A 13 -11.363 15.209 2.819 1.00 0.00 H new ATOM 0 HB2 SER A 13 -10.171 16.160 5.456 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.289 15.415 4.138 1.00 0.00 H new ATOM 0 HG SER A 13 -9.197 17.735 4.054 1.00 0.00 H new ATOM 178 N MET A 14 -12.440 13.928 5.592 1.00 0.00 N ATOM 179 CA MET A 14 -12.771 12.683 6.269 1.00 0.00 C ATOM 180 C MET A 14 -13.709 11.830 5.421 1.00 0.00 C ATOM 181 O MET A 14 -13.896 10.648 5.710 1.00 0.00 O ATOM 182 CB MET A 14 -13.430 13.021 7.607 1.00 0.00 C ATOM 183 CG MET A 14 -12.361 13.366 8.644 1.00 0.00 C ATOM 184 SD MET A 14 -12.065 12.068 9.875 1.00 0.00 S ATOM 185 CE MET A 14 -11.770 10.638 8.798 1.00 0.00 C ATOM 0 H MET A 14 -12.897 14.746 5.995 1.00 0.00 H new ATOM 0 HA MET A 14 -11.860 12.107 6.432 1.00 0.00 H new ATOM 0 HB2 MET A 14 -14.113 13.861 7.483 1.00 0.00 H new ATOM 0 HB3 MET A 14 -14.024 12.175 7.953 1.00 0.00 H new ATOM 0 HG2 MET A 14 -11.426 13.579 8.127 1.00 0.00 H new ATOM 0 HG3 MET A 14 -12.655 14.280 9.161 1.00 0.00 H new ATOM 0 HE1 MET A 14 -11.502 9.774 9.406 1.00 0.00 H new ATOM 0 HE2 MET A 14 -12.674 10.417 8.231 1.00 0.00 H new ATOM 0 HE3 MET A 14 -10.956 10.863 8.109 1.00 0.00 H new ATOM 195 N ASN A 15 -14.297 12.421 4.377 1.00 0.00 N ATOM 196 CA ASN A 15 -15.208 11.719 3.491 1.00 0.00 C ATOM 197 C ASN A 15 -14.762 11.802 2.033 1.00 0.00 C ATOM 198 O ASN A 15 -15.517 11.414 1.144 1.00 0.00 O ATOM 199 CB ASN A 15 -16.645 12.207 3.703 1.00 0.00 C ATOM 200 CG ASN A 15 -16.733 13.719 3.811 1.00 0.00 C ATOM 201 OD1 ASN A 15 -16.900 14.418 2.817 1.00 0.00 O ATOM 202 ND2 ASN A 15 -16.617 14.228 5.034 1.00 0.00 N ATOM 0 H ASN A 15 -14.150 13.399 4.129 1.00 0.00 H new ATOM 0 HA ASN A 15 -15.185 10.660 3.746 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -17.267 11.868 2.875 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -17.049 11.757 4.610 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -16.666 15.237 5.173 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -16.479 13.609 5.833 1.00 0.00 H new ATOM 209 N SER A 16 -13.547 12.297 1.780 1.00 0.00 N ATOM 210 CA SER A 16 -12.976 12.334 0.440 1.00 0.00 C ATOM 211 C SER A 16 -11.811 11.358 0.314 1.00 0.00 C ATOM 212 O SER A 16 -11.110 11.359 -0.695 1.00 0.00 O ATOM 213 CB SER A 16 -12.549 13.753 0.076 1.00 0.00 C ATOM 214 OG SER A 16 -11.456 14.141 0.871 1.00 0.00 O ATOM 0 H SER A 16 -12.936 12.682 2.501 1.00 0.00 H new ATOM 0 HA SER A 16 -13.745 12.022 -0.266 1.00 0.00 H new ATOM 0 HB2 SER A 16 -12.278 13.802 -0.979 1.00 0.00 H new ATOM 0 HB3 SER A 16 -13.381 14.442 0.224 1.00 0.00 H new ATOM 0 HG SER A 16 -11.185 15.052 0.632 1.00 0.00 H new ATOM 220 N ARG A 17 -11.594 10.518 1.331 1.00 0.00 N ATOM 221 CA ARG A 17 -10.538 9.514 1.305 1.00 0.00 C ATOM 222 C ARG A 17 -11.118 8.109 1.455 1.00 0.00 C ATOM 223 O ARG A 17 -12.308 7.947 1.730 1.00 0.00 O ATOM 224 CB ARG A 17 -9.486 9.844 2.367 1.00 0.00 C ATOM 225 CG ARG A 17 -9.996 9.528 3.766 1.00 0.00 C ATOM 226 CD ARG A 17 -8.921 9.871 4.786 1.00 0.00 C ATOM 227 NE ARG A 17 -8.656 11.308 4.776 1.00 0.00 N ATOM 228 CZ ARG A 17 -8.567 12.058 5.870 1.00 0.00 C ATOM 229 NH1 ARG A 17 -8.697 11.525 7.080 1.00 0.00 N ATOM 230 NH2 ARG A 17 -8.345 13.360 5.745 1.00 0.00 N ATOM 0 H ARG A 17 -12.145 10.518 2.189 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.039 9.532 0.336 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.577 9.275 2.171 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.221 10.899 2.304 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -10.903 10.097 3.972 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.259 8.473 3.839 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.240 9.560 5.781 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.006 9.324 4.559 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.531 11.765 3.872 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -8.868 10.525 7.181 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.626 12.116 7.908 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -8.245 13.774 4.818 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.274 13.947 6.576 1.00 0.00 H new ATOM 244 N VAL A 18 -10.266 7.098 1.271 1.00 0.00 N ATOM 245 CA VAL A 18 -10.668 5.700 1.239 1.00 0.00 C ATOM 246 C VAL A 18 -9.860 4.888 2.245 1.00 0.00 C ATOM 247 O VAL A 18 -8.642 5.042 2.321 1.00 0.00 O ATOM 248 CB VAL A 18 -10.427 5.154 -0.171 1.00 0.00 C ATOM 249 CG1 VAL A 18 -10.931 3.720 -0.287 1.00 0.00 C ATOM 250 CG2 VAL A 18 -11.121 6.003 -1.232 1.00 0.00 C ATOM 0 H VAL A 18 -9.264 7.235 1.139 1.00 0.00 H new ATOM 0 HA VAL A 18 -11.723 5.622 1.501 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.351 5.186 -0.342 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.750 3.351 -1.297 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -10.404 3.090 0.429 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.000 3.692 -0.077 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.926 5.583 -2.219 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -12.195 6.011 -1.047 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.738 7.023 -1.190 1.00 0.00 H new ATOM 260 N PHE A 19 -10.539 4.026 3.007 1.00 0.00 N ATOM 261 CA PHE A 19 -9.892 3.063 3.881 1.00 0.00 C ATOM 262 C PHE A 19 -9.812 1.733 3.139 1.00 0.00 C ATOM 263 O PHE A 19 -10.767 1.349 2.465 1.00 0.00 O ATOM 264 CB PHE A 19 -10.694 2.930 5.178 1.00 0.00 C ATOM 265 CG PHE A 19 -10.224 1.823 6.095 1.00 0.00 C ATOM 266 CD1 PHE A 19 -8.864 1.682 6.414 1.00 0.00 C ATOM 267 CD2 PHE A 19 -11.157 0.927 6.631 1.00 0.00 C ATOM 268 CE1 PHE A 19 -8.447 0.646 7.263 1.00 0.00 C ATOM 269 CE2 PHE A 19 -10.741 -0.105 7.483 1.00 0.00 C ATOM 270 CZ PHE A 19 -9.383 -0.249 7.797 1.00 0.00 C ATOM 0 H PHE A 19 -11.558 3.982 3.030 1.00 0.00 H new ATOM 0 HA PHE A 19 -8.886 3.388 4.145 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.648 3.876 5.718 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -11.741 2.757 4.927 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -8.139 2.371 6.006 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -12.204 1.032 6.386 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.400 0.538 7.506 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -11.467 -0.789 7.897 1.00 0.00 H new ATOM 0 HZ PHE A 19 -9.059 -1.047 8.448 1.00 0.00 H new ATOM 280 N ILE A 20 -8.682 1.032 3.254 1.00 0.00 N ATOM 281 CA ILE A 20 -8.466 -0.236 2.576 1.00 0.00 C ATOM 282 C ILE A 20 -7.892 -1.226 3.581 1.00 0.00 C ATOM 283 O ILE A 20 -6.685 -1.254 3.806 1.00 0.00 O ATOM 284 CB ILE A 20 -7.497 -0.037 1.399 1.00 0.00 C ATOM 285 CG1 ILE A 20 -7.989 1.074 0.460 1.00 0.00 C ATOM 286 CG2 ILE A 20 -7.349 -1.356 0.630 1.00 0.00 C ATOM 287 CD1 ILE A 20 -6.912 1.472 -0.550 1.00 0.00 C ATOM 0 H ILE A 20 -7.892 1.334 3.824 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.406 -0.621 2.181 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.527 0.265 1.793 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.879 0.736 -0.070 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.279 1.946 1.047 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -6.662 -1.215 -0.205 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.957 -2.124 1.297 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.322 -1.667 0.250 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.295 2.260 -1.198 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.031 1.834 -0.019 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.641 0.606 -1.153 1.00 0.00 H new ATOM 299 N GLY A 21 -8.759 -2.040 4.187 1.00 0.00 N ATOM 300 CA GLY A 21 -8.360 -3.006 5.203 1.00 0.00 C ATOM 301 C GLY A 21 -8.169 -4.412 4.641 1.00 0.00 C ATOM 302 O GLY A 21 -8.546 -4.695 3.506 1.00 0.00 O ATOM 0 H GLY A 21 -9.759 -2.045 3.984 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.430 -2.676 5.666 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.115 -3.033 5.988 1.00 0.00 H new ATOM 306 N ASN A 22 -7.579 -5.292 5.457 1.00 0.00 N ATOM 307 CA ASN A 22 -7.350 -6.695 5.136 1.00 0.00 C ATOM 308 C ASN A 22 -6.534 -6.881 3.853 1.00 0.00 C ATOM 309 O ASN A 22 -6.576 -7.937 3.223 1.00 0.00 O ATOM 310 CB ASN A 22 -8.689 -7.447 5.127 1.00 0.00 C ATOM 311 CG ASN A 22 -8.509 -8.949 5.287 1.00 0.00 C ATOM 312 OD1 ASN A 22 -8.326 -9.441 6.397 1.00 0.00 O ATOM 313 ND2 ASN A 22 -8.558 -9.692 4.186 1.00 0.00 N ATOM 0 H ASN A 22 -7.240 -5.035 6.384 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.729 -7.135 5.916 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -9.320 -7.071 5.933 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.211 -7.243 4.192 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.442 -10.703 4.248 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.712 -9.251 3.279 1.00 0.00 H new ATOM 320 N LEU A 23 -5.787 -5.848 3.454 1.00 0.00 N ATOM 321 CA LEU A 23 -5.007 -5.863 2.227 1.00 0.00 C ATOM 322 C LEU A 23 -3.788 -6.776 2.367 1.00 0.00 C ATOM 323 O LEU A 23 -3.228 -6.912 3.454 1.00 0.00 O ATOM 324 CB LEU A 23 -4.599 -4.420 1.902 1.00 0.00 C ATOM 325 CG LEU A 23 -3.732 -4.280 0.650 1.00 0.00 C ATOM 326 CD1 LEU A 23 -4.437 -4.807 -0.602 1.00 0.00 C ATOM 327 CD2 LEU A 23 -3.422 -2.803 0.441 1.00 0.00 C ATOM 0 H LEU A 23 -5.710 -4.977 3.980 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.603 -6.264 1.407 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.500 -3.819 1.775 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.058 -4.007 2.753 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.826 -4.867 0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.783 -4.687 -1.466 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.673 -5.863 -0.470 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.358 -4.247 -0.764 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.804 -2.683 -0.449 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.353 -2.250 0.313 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.887 -2.417 1.309 1.00 0.00 H new ATOM 339 N ASN A 24 -3.377 -7.396 1.258 1.00 0.00 N ATOM 340 CA ASN A 24 -2.146 -8.165 1.203 1.00 0.00 C ATOM 341 C ASN A 24 -0.986 -7.192 1.016 1.00 0.00 C ATOM 342 O ASN A 24 -0.664 -6.796 -0.102 1.00 0.00 O ATOM 343 CB ASN A 24 -2.238 -9.176 0.061 1.00 0.00 C ATOM 344 CG ASN A 24 -0.923 -9.919 -0.130 1.00 0.00 C ATOM 345 OD1 ASN A 24 -0.679 -10.953 0.483 1.00 0.00 O ATOM 346 ND2 ASN A 24 -0.063 -9.386 -0.990 1.00 0.00 N ATOM 0 H ASN A 24 -3.892 -7.375 0.378 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.983 -8.725 2.124 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.035 -9.890 0.269 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.504 -8.661 -0.862 1.00 0.00 H new ATOM 0 HD21 ASN A 24 0.836 -9.838 -1.159 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.301 -8.525 -1.482 1.00 0.00 H new ATOM 353 N THR A 25 -0.356 -6.807 2.123 1.00 0.00 N ATOM 354 CA THR A 25 0.694 -5.798 2.138 1.00 0.00 C ATOM 355 C THR A 25 2.083 -6.408 1.958 1.00 0.00 C ATOM 356 O THR A 25 3.091 -5.737 2.170 1.00 0.00 O ATOM 357 CB THR A 25 0.555 -4.950 3.403 1.00 0.00 C ATOM 358 OG1 THR A 25 0.685 -5.755 4.557 1.00 0.00 O ATOM 359 CG2 THR A 25 -0.842 -4.325 3.405 1.00 0.00 C ATOM 0 H THR A 25 -0.564 -7.193 3.044 1.00 0.00 H new ATOM 0 HA THR A 25 0.574 -5.138 1.279 1.00 0.00 H new ATOM 0 HB THR A 25 1.333 -4.187 3.413 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.531 -5.549 5.006 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.966 -3.714 4.299 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.963 -3.701 2.520 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.594 -5.114 3.398 1.00 0.00 H new ATOM 367 N LEU A 26 2.129 -7.686 1.566 1.00 0.00 N ATOM 368 CA LEU A 26 3.367 -8.423 1.359 1.00 0.00 C ATOM 369 C LEU A 26 3.852 -8.284 -0.078 1.00 0.00 C ATOM 370 O LEU A 26 5.053 -8.331 -0.337 1.00 0.00 O ATOM 371 CB LEU A 26 3.086 -9.905 1.627 1.00 0.00 C ATOM 372 CG LEU A 26 2.894 -10.273 3.097 1.00 0.00 C ATOM 373 CD1 LEU A 26 4.224 -10.225 3.843 1.00 0.00 C ATOM 374 CD2 LEU A 26 1.899 -9.381 3.834 1.00 0.00 C ATOM 0 H LEU A 26 1.292 -8.239 1.383 1.00 0.00 H new ATOM 0 HA LEU A 26 4.131 -8.028 2.028 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.191 -10.194 1.076 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.911 -10.494 1.226 1.00 0.00 H new ATOM 0 HG LEU A 26 2.486 -11.284 3.086 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.065 -10.490 4.888 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.920 -10.932 3.391 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.639 -9.219 3.783 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.818 -9.706 4.871 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.245 -8.348 3.803 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.923 -9.451 3.354 1.00 0.00 H new ATOM 386 N VAL A 27 2.911 -8.117 -1.010 1.00 0.00 N ATOM 387 CA VAL A 27 3.218 -8.060 -2.440 1.00 0.00 C ATOM 388 C VAL A 27 2.754 -6.741 -3.044 1.00 0.00 C ATOM 389 O VAL A 27 3.215 -6.354 -4.117 1.00 0.00 O ATOM 390 CB VAL A 27 2.582 -9.262 -3.148 1.00 0.00 C ATOM 391 CG1 VAL A 27 3.031 -9.357 -4.607 1.00 0.00 C ATOM 392 CG2 VAL A 27 2.977 -10.569 -2.457 1.00 0.00 C ATOM 0 H VAL A 27 1.919 -8.018 -0.795 1.00 0.00 H new ATOM 0 HA VAL A 27 4.298 -8.110 -2.578 1.00 0.00 H new ATOM 0 HB VAL A 27 1.503 -9.114 -3.103 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.560 -10.221 -5.077 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.738 -8.451 -5.137 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.115 -9.467 -4.648 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.515 -11.409 -2.976 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.061 -10.680 -2.481 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.637 -10.550 -1.422 1.00 0.00 H new ATOM 402 N VAL A 28 1.845 -6.033 -2.362 1.00 0.00 N ATOM 403 CA VAL A 28 1.422 -4.710 -2.799 1.00 0.00 C ATOM 404 C VAL A 28 2.447 -3.682 -2.334 1.00 0.00 C ATOM 405 O VAL A 28 3.197 -3.930 -1.392 1.00 0.00 O ATOM 406 CB VAL A 28 0.008 -4.414 -2.279 1.00 0.00 C ATOM 407 CG1 VAL A 28 0.057 -3.625 -0.972 1.00 0.00 C ATOM 408 CG2 VAL A 28 -0.803 -3.614 -3.297 1.00 0.00 C ATOM 0 H VAL A 28 1.393 -6.359 -1.508 1.00 0.00 H new ATOM 0 HA VAL A 28 1.374 -4.662 -3.887 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.472 -5.378 -2.109 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.958 -3.429 -0.627 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.592 -4.203 -0.218 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.573 -2.679 -1.137 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.799 -3.421 -2.898 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.303 -2.667 -3.497 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.887 -4.183 -4.223 1.00 0.00 H new ATOM 418 N LYS A 29 2.476 -2.526 -2.993 1.00 0.00 N ATOM 419 CA LYS A 29 3.366 -1.427 -2.640 1.00 0.00 C ATOM 420 C LYS A 29 2.625 -0.109 -2.790 1.00 0.00 C ATOM 421 O LYS A 29 1.501 -0.073 -3.292 1.00 0.00 O ATOM 422 CB LYS A 29 4.640 -1.441 -3.498 1.00 0.00 C ATOM 423 CG LYS A 29 4.407 -1.973 -4.914 1.00 0.00 C ATOM 424 CD LYS A 29 4.749 -3.466 -4.958 1.00 0.00 C ATOM 425 CE LYS A 29 4.157 -4.145 -6.192 1.00 0.00 C ATOM 426 NZ LYS A 29 4.600 -3.504 -7.443 1.00 0.00 N ATOM 0 H LYS A 29 1.877 -2.326 -3.794 1.00 0.00 H new ATOM 0 HA LYS A 29 3.676 -1.547 -1.602 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.041 -0.429 -3.558 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.395 -2.054 -3.006 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.369 -1.817 -5.207 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.024 -1.426 -5.626 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.832 -3.591 -4.958 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.372 -3.953 -4.059 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.447 -5.196 -6.201 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.069 -4.115 -6.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.713 -4.227 -8.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.890 -2.807 -7.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.510 -3.026 -7.285 1.00 0.00 H new ATOM 440 N LYS A 30 3.248 0.992 -2.363 1.00 0.00 N ATOM 441 CA LYS A 30 2.621 2.300 -2.463 1.00 0.00 C ATOM 442 C LYS A 30 2.285 2.611 -3.913 1.00 0.00 C ATOM 443 O LYS A 30 1.257 3.222 -4.184 1.00 0.00 O ATOM 444 CB LYS A 30 3.558 3.369 -1.898 1.00 0.00 C ATOM 445 CG LYS A 30 2.896 4.732 -2.087 1.00 0.00 C ATOM 446 CD LYS A 30 3.658 5.830 -1.355 1.00 0.00 C ATOM 447 CE LYS A 30 2.991 7.175 -1.647 1.00 0.00 C ATOM 448 NZ LYS A 30 3.227 7.606 -3.040 1.00 0.00 N ATOM 0 H LYS A 30 4.180 0.998 -1.948 1.00 0.00 H new ATOM 0 HA LYS A 30 1.697 2.296 -1.884 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.752 3.184 -0.842 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.520 3.340 -2.409 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.846 4.969 -3.150 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.870 4.693 -1.720 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.661 5.636 -0.282 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.699 5.847 -1.679 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.919 7.097 -1.466 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.376 7.930 -0.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.958 8.605 -3.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.234 7.493 -3.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.655 7.024 -3.685 1.00 0.00 H new ATOM 462 N SER A 31 3.152 2.184 -4.837 1.00 0.00 N ATOM 463 CA SER A 31 3.013 2.469 -6.257 1.00 0.00 C ATOM 464 C SER A 31 1.908 1.621 -6.877 1.00 0.00 C ATOM 465 O SER A 31 1.543 1.830 -8.032 1.00 0.00 O ATOM 466 CB SER A 31 4.342 2.211 -6.964 1.00 0.00 C ATOM 467 OG SER A 31 5.362 2.985 -6.372 1.00 0.00 O ATOM 0 H SER A 31 3.976 1.626 -4.611 1.00 0.00 H new ATOM 0 HA SER A 31 2.739 3.517 -6.378 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.596 1.153 -6.904 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.254 2.458 -8.022 1.00 0.00 H new ATOM 0 HG SER A 31 6.211 2.812 -6.830 1.00 0.00 H new ATOM 473 N ASP A 32 1.372 0.664 -6.112 1.00 0.00 N ATOM 474 CA ASP A 32 0.276 -0.167 -6.560 1.00 0.00 C ATOM 475 C ASP A 32 -1.048 0.389 -6.046 1.00 0.00 C ATOM 476 O ASP A 32 -2.036 0.373 -6.772 1.00 0.00 O ATOM 477 CB ASP A 32 0.510 -1.601 -6.077 1.00 0.00 C ATOM 478 CG ASP A 32 1.312 -2.406 -7.096 1.00 0.00 C ATOM 479 OD1 ASP A 32 2.345 -1.881 -7.567 1.00 0.00 O ATOM 480 OD2 ASP A 32 0.887 -3.544 -7.394 1.00 0.00 O ATOM 0 H ASP A 32 1.693 0.453 -5.167 1.00 0.00 H new ATOM 0 HA ASP A 32 0.228 -0.170 -7.649 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.041 -1.584 -5.125 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.449 -2.088 -5.899 1.00 0.00 H new ATOM 485 N VAL A 33 -1.094 0.888 -4.807 1.00 0.00 N ATOM 486 CA VAL A 33 -2.340 1.432 -4.287 1.00 0.00 C ATOM 487 C VAL A 33 -2.708 2.696 -5.058 1.00 0.00 C ATOM 488 O VAL A 33 -3.881 2.921 -5.353 1.00 0.00 O ATOM 489 CB VAL A 33 -2.214 1.700 -2.783 1.00 0.00 C ATOM 490 CG1 VAL A 33 -3.536 2.237 -2.236 1.00 0.00 C ATOM 491 CG2 VAL A 33 -1.878 0.411 -2.031 1.00 0.00 C ATOM 0 H VAL A 33 -0.303 0.924 -4.164 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.142 0.707 -4.424 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.417 2.430 -2.639 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.438 2.425 -1.167 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.790 3.166 -2.746 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.324 1.503 -2.405 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.793 0.623 -0.965 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.669 -0.322 -2.193 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.933 0.012 -2.398 1.00 0.00 H new ATOM 501 N GLU A 34 -1.720 3.529 -5.400 1.00 0.00 N ATOM 502 CA GLU A 34 -1.961 4.721 -6.202 1.00 0.00 C ATOM 503 C GLU A 34 -2.161 4.384 -7.683 1.00 0.00 C ATOM 504 O GLU A 34 -2.283 5.290 -8.507 1.00 0.00 O ATOM 505 CB GLU A 34 -0.844 5.744 -5.990 1.00 0.00 C ATOM 506 CG GLU A 34 0.486 5.274 -6.581 1.00 0.00 C ATOM 507 CD GLU A 34 1.574 6.324 -6.368 1.00 0.00 C ATOM 508 OE1 GLU A 34 2.208 6.289 -5.289 1.00 0.00 O ATOM 509 OE2 GLU A 34 1.768 7.154 -7.284 1.00 0.00 O ATOM 0 H GLU A 34 -0.745 3.395 -5.131 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.894 5.171 -5.864 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.129 6.691 -6.448 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.721 5.930 -4.923 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.784 4.335 -6.116 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.367 5.078 -7.647 1.00 0.00 H new ATOM 516 N ALA A 35 -2.194 3.091 -8.029 1.00 0.00 N ATOM 517 CA ALA A 35 -2.408 2.648 -9.398 1.00 0.00 C ATOM 518 C ALA A 35 -3.669 1.788 -9.526 1.00 0.00 C ATOM 519 O ALA A 35 -4.127 1.526 -10.637 1.00 0.00 O ATOM 520 CB ALA A 35 -1.178 1.871 -9.857 1.00 0.00 C ATOM 0 H ALA A 35 -2.072 2.329 -7.363 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.556 3.522 -10.033 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.324 1.532 -10.883 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.301 2.517 -9.809 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.029 1.008 -9.207 1.00 0.00 H new ATOM 526 N ILE A 36 -4.229 1.350 -8.396 1.00 0.00 N ATOM 527 CA ILE A 36 -5.433 0.528 -8.365 1.00 0.00 C ATOM 528 C ILE A 36 -6.646 1.388 -8.023 1.00 0.00 C ATOM 529 O ILE A 36 -7.780 0.996 -8.295 1.00 0.00 O ATOM 530 CB ILE A 36 -5.219 -0.607 -7.356 1.00 0.00 C ATOM 531 CG1 ILE A 36 -4.112 -1.538 -7.869 1.00 0.00 C ATOM 532 CG2 ILE A 36 -6.498 -1.422 -7.144 1.00 0.00 C ATOM 533 CD1 ILE A 36 -3.544 -2.386 -6.735 1.00 0.00 C ATOM 0 H ILE A 36 -3.854 1.560 -7.471 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.626 0.088 -9.343 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.936 -0.162 -6.402 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.510 -2.187 -8.649 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.315 -0.947 -8.321 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.308 -2.217 -6.423 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.286 -0.771 -6.766 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.812 -1.859 -8.092 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.761 -3.037 -7.124 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.126 -1.734 -5.968 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.339 -2.993 -6.301 1.00 0.00 H new ATOM 545 N PHE A 37 -6.421 2.564 -7.426 1.00 0.00 N ATOM 546 CA PHE A 37 -7.501 3.468 -7.053 1.00 0.00 C ATOM 547 C PHE A 37 -7.489 4.744 -7.902 1.00 0.00 C ATOM 548 O PHE A 37 -8.423 5.541 -7.828 1.00 0.00 O ATOM 549 CB PHE A 37 -7.414 3.755 -5.554 1.00 0.00 C ATOM 550 CG PHE A 37 -7.781 2.558 -4.703 1.00 0.00 C ATOM 551 CD1 PHE A 37 -6.926 1.446 -4.632 1.00 0.00 C ATOM 552 CD2 PHE A 37 -8.992 2.561 -3.989 1.00 0.00 C ATOM 553 CE1 PHE A 37 -7.285 0.335 -3.860 1.00 0.00 C ATOM 554 CE2 PHE A 37 -9.351 1.447 -3.216 1.00 0.00 C ATOM 555 CZ PHE A 37 -8.495 0.337 -3.146 1.00 0.00 C ATOM 0 H PHE A 37 -5.490 2.909 -7.192 1.00 0.00 H new ATOM 0 HA PHE A 37 -8.460 2.992 -7.256 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.401 4.072 -5.308 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -8.076 4.585 -5.309 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.991 1.448 -5.173 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -9.645 3.420 -4.036 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -6.632 -0.524 -3.813 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -10.286 1.443 -2.675 1.00 0.00 H new ATOM 0 HZ PHE A 37 -8.767 -0.517 -2.543 1.00 0.00 H new ATOM 565 N SER A 38 -6.447 4.956 -8.713 1.00 0.00 N ATOM 566 CA SER A 38 -6.382 6.117 -9.596 1.00 0.00 C ATOM 567 C SER A 38 -7.288 5.923 -10.816 1.00 0.00 C ATOM 568 O SER A 38 -7.487 6.845 -11.606 1.00 0.00 O ATOM 569 CB SER A 38 -4.928 6.357 -9.998 1.00 0.00 C ATOM 570 OG SER A 38 -4.812 7.552 -10.745 1.00 0.00 O ATOM 0 H SER A 38 -5.639 4.337 -8.773 1.00 0.00 H new ATOM 0 HA SER A 38 -6.747 7.000 -9.071 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.303 6.416 -9.107 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.564 5.516 -10.588 1.00 0.00 H new ATOM 0 HG SER A 38 -5.622 7.682 -11.282 1.00 0.00 H new ATOM 576 N LYS A 39 -7.845 4.716 -10.969 1.00 0.00 N ATOM 577 CA LYS A 39 -8.762 4.379 -12.051 1.00 0.00 C ATOM 578 C LYS A 39 -10.217 4.657 -11.669 1.00 0.00 C ATOM 579 O LYS A 39 -11.121 4.385 -12.455 1.00 0.00 O ATOM 580 CB LYS A 39 -8.540 2.926 -12.472 1.00 0.00 C ATOM 581 CG LYS A 39 -8.848 1.979 -11.312 1.00 0.00 C ATOM 582 CD LYS A 39 -8.487 0.543 -11.673 1.00 0.00 C ATOM 583 CE LYS A 39 -9.405 0.018 -12.777 1.00 0.00 C ATOM 584 NZ LYS A 39 -9.086 -1.381 -13.113 1.00 0.00 N ATOM 0 H LYS A 39 -7.666 3.939 -10.333 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.551 5.021 -12.906 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -9.177 2.687 -13.323 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.509 2.789 -12.797 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.290 2.287 -10.428 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.906 2.040 -11.059 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.449 0.495 -12.002 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.571 -0.091 -10.791 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.444 0.090 -12.455 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.303 0.641 -13.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.724 -1.712 -13.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.101 -1.443 -13.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.207 -1.977 -12.269 1.00 0.00 H new ATOM 598 N TYR A 40 -10.439 5.198 -10.465 1.00 0.00 N ATOM 599 CA TYR A 40 -11.766 5.537 -9.967 1.00 0.00 C ATOM 600 C TYR A 40 -11.858 7.001 -9.538 1.00 0.00 C ATOM 601 O TYR A 40 -12.932 7.460 -9.150 1.00 0.00 O ATOM 602 CB TYR A 40 -12.125 4.613 -8.801 1.00 0.00 C ATOM 603 CG TYR A 40 -12.647 3.264 -9.229 1.00 0.00 C ATOM 604 CD1 TYR A 40 -13.995 3.125 -9.585 1.00 0.00 C ATOM 605 CD2 TYR A 40 -11.789 2.156 -9.274 1.00 0.00 C ATOM 606 CE1 TYR A 40 -14.494 1.879 -9.989 1.00 0.00 C ATOM 607 CE2 TYR A 40 -12.279 0.911 -9.690 1.00 0.00 C ATOM 608 CZ TYR A 40 -13.632 0.767 -10.055 1.00 0.00 C ATOM 609 OH TYR A 40 -14.110 -0.441 -10.466 1.00 0.00 O ATOM 0 H TYR A 40 -9.690 5.413 -9.806 1.00 0.00 H new ATOM 0 HA TYR A 40 -12.479 5.396 -10.779 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -11.242 4.469 -8.179 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -12.876 5.102 -8.180 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -14.652 3.981 -9.548 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -10.753 2.262 -8.989 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -15.537 1.772 -10.249 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -11.617 0.059 -9.731 1.00 0.00 H new ATOM 0 HH TYR A 40 -13.385 -1.101 -10.455 1.00 0.00 H new ATOM 619 N GLY A 41 -10.749 7.744 -9.603 1.00 0.00 N ATOM 620 CA GLY A 41 -10.746 9.141 -9.207 1.00 0.00 C ATOM 621 C GLY A 41 -9.341 9.729 -9.201 1.00 0.00 C ATOM 622 O GLY A 41 -8.355 9.001 -9.315 1.00 0.00 O ATOM 0 H GLY A 41 -9.847 7.395 -9.927 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.375 9.713 -9.889 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -11.184 9.237 -8.213 1.00 0.00 H new ATOM 626 N LYS A 42 -9.250 11.054 -9.068 1.00 0.00 N ATOM 627 CA LYS A 42 -7.969 11.744 -9.003 1.00 0.00 C ATOM 628 C LYS A 42 -7.407 11.627 -7.593 1.00 0.00 C ATOM 629 O LYS A 42 -7.957 12.205 -6.656 1.00 0.00 O ATOM 630 CB LYS A 42 -8.155 13.214 -9.399 1.00 0.00 C ATOM 631 CG LYS A 42 -6.906 14.046 -9.086 1.00 0.00 C ATOM 632 CD LYS A 42 -5.659 13.526 -9.806 1.00 0.00 C ATOM 633 CE LYS A 42 -4.437 14.274 -9.271 1.00 0.00 C ATOM 634 NZ LYS A 42 -3.203 13.829 -9.943 1.00 0.00 N ATOM 0 H LYS A 42 -10.059 11.672 -9.003 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.264 11.289 -9.699 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.378 13.279 -10.464 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.012 13.629 -8.868 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.082 15.082 -9.374 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.730 14.040 -8.010 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.548 12.454 -9.642 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.753 13.676 -10.881 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.569 15.346 -9.420 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.349 14.110 -8.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.391 14.353 -9.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.066 12.811 -9.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.280 14.008 -10.965 1.00 0.00 H new ATOM 648 N ILE A 43 -6.310 10.883 -7.442 1.00 0.00 N ATOM 649 CA ILE A 43 -5.636 10.761 -6.162 1.00 0.00 C ATOM 650 C ILE A 43 -4.693 11.945 -5.994 1.00 0.00 C ATOM 651 O ILE A 43 -3.885 12.229 -6.880 1.00 0.00 O ATOM 652 CB ILE A 43 -4.897 9.420 -6.087 1.00 0.00 C ATOM 653 CG1 ILE A 43 -5.920 8.277 -6.157 1.00 0.00 C ATOM 654 CG2 ILE A 43 -4.102 9.337 -4.782 1.00 0.00 C ATOM 655 CD1 ILE A 43 -5.287 6.890 -6.031 1.00 0.00 C ATOM 0 H ILE A 43 -5.873 10.356 -8.198 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.357 10.776 -5.344 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.203 9.336 -6.924 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.655 8.407 -5.362 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.459 8.338 -7.102 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.579 8.382 -4.735 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.377 10.150 -4.745 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.783 9.420 -3.935 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.065 6.129 -6.088 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.573 6.741 -6.841 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.772 6.811 -5.074 1.00 0.00 H new ATOM 667 N VAL A 44 -4.801 12.630 -4.855 1.00 0.00 N ATOM 668 CA VAL A 44 -3.937 13.754 -4.515 1.00 0.00 C ATOM 669 C VAL A 44 -3.124 13.439 -3.263 1.00 0.00 C ATOM 670 O VAL A 44 -2.348 14.271 -2.801 1.00 0.00 O ATOM 671 CB VAL A 44 -4.754 15.040 -4.360 1.00 0.00 C ATOM 672 CG1 VAL A 44 -5.241 15.506 -5.733 1.00 0.00 C ATOM 673 CG2 VAL A 44 -5.964 14.836 -3.451 1.00 0.00 C ATOM 0 H VAL A 44 -5.496 12.417 -4.140 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.234 13.917 -5.331 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.106 15.790 -3.907 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.822 16.421 -5.621 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.383 15.697 -6.378 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.865 14.732 -6.180 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.517 15.771 -3.367 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.612 14.068 -3.874 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.628 14.523 -2.463 1.00 0.00 H new ATOM 683 N GLY A 45 -3.300 12.235 -2.718 1.00 0.00 N ATOM 684 CA GLY A 45 -2.533 11.747 -1.583 1.00 0.00 C ATOM 685 C GLY A 45 -2.727 10.240 -1.456 1.00 0.00 C ATOM 686 O GLY A 45 -3.807 9.734 -1.744 1.00 0.00 O ATOM 0 H GLY A 45 -3.990 11.566 -3.061 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.476 11.980 -1.716 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.856 12.245 -0.669 1.00 0.00 H new ATOM 690 N CYS A 46 -1.698 9.509 -1.029 1.00 0.00 N ATOM 691 CA CYS A 46 -1.805 8.068 -0.879 1.00 0.00 C ATOM 692 C CYS A 46 -0.766 7.527 0.095 1.00 0.00 C ATOM 693 O CYS A 46 0.288 8.129 0.299 1.00 0.00 O ATOM 694 CB CYS A 46 -1.650 7.406 -2.249 1.00 0.00 C ATOM 695 SG CYS A 46 -0.084 7.925 -3.004 1.00 0.00 S ATOM 0 H CYS A 46 -0.786 9.894 -0.783 1.00 0.00 H new ATOM 0 HA CYS A 46 -2.787 7.834 -0.467 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -1.673 6.321 -2.144 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -2.485 7.682 -2.894 1.00 0.00 H new ATOM 0 HG CYS A 46 -0.262 8.131 -4.275 1.00 0.00 H new ATOM 701 N SER A 47 -1.074 6.375 0.694 1.00 0.00 N ATOM 702 CA SER A 47 -0.165 5.688 1.598 1.00 0.00 C ATOM 703 C SER A 47 -0.521 4.208 1.698 1.00 0.00 C ATOM 704 O SER A 47 -1.615 3.797 1.322 1.00 0.00 O ATOM 705 CB SER A 47 -0.232 6.334 2.981 1.00 0.00 C ATOM 706 OG SER A 47 -1.500 6.118 3.563 1.00 0.00 O ATOM 0 H SER A 47 -1.964 5.895 0.562 1.00 0.00 H new ATOM 0 HA SER A 47 0.848 5.772 1.206 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.545 5.918 3.622 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.039 7.404 2.900 1.00 0.00 H new ATOM 0 HG SER A 47 -1.404 5.548 4.355 1.00 0.00 H new ATOM 712 N VAL A 48 0.414 3.410 2.212 1.00 0.00 N ATOM 713 CA VAL A 48 0.205 1.985 2.422 1.00 0.00 C ATOM 714 C VAL A 48 0.936 1.565 3.694 1.00 0.00 C ATOM 715 O VAL A 48 2.007 2.089 4.005 1.00 0.00 O ATOM 716 CB VAL A 48 0.645 1.206 1.176 1.00 0.00 C ATOM 717 CG1 VAL A 48 2.109 1.472 0.841 1.00 0.00 C ATOM 718 CG2 VAL A 48 0.443 -0.300 1.342 1.00 0.00 C ATOM 0 H VAL A 48 1.338 3.738 2.494 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.851 1.757 2.565 1.00 0.00 H new ATOM 0 HB VAL A 48 0.015 1.559 0.359 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.388 0.905 -0.047 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.251 2.536 0.651 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.735 1.166 1.679 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.768 -0.813 0.436 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.029 -0.655 2.190 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.612 -0.508 1.518 1.00 0.00 H new ATOM 728 N HIS A 49 0.352 0.616 4.428 1.00 0.00 N ATOM 729 CA HIS A 49 0.827 0.207 5.741 1.00 0.00 C ATOM 730 C HIS A 49 0.776 -1.314 5.853 1.00 0.00 C ATOM 731 O HIS A 49 0.628 -1.997 4.841 1.00 0.00 O ATOM 732 CB HIS A 49 -0.068 0.865 6.798 1.00 0.00 C ATOM 733 CG HIS A 49 -0.201 2.360 6.645 1.00 0.00 C ATOM 734 ND1 HIS A 49 0.536 3.320 7.344 1.00 0.00 N ATOM 735 CD2 HIS A 49 -1.066 2.994 5.799 1.00 0.00 C ATOM 736 CE1 HIS A 49 0.093 4.507 6.896 1.00 0.00 C ATOM 737 NE2 HIS A 49 -0.863 4.343 5.966 1.00 0.00 N ATOM 0 H HIS A 49 -0.475 0.106 4.118 1.00 0.00 H new ATOM 0 HA HIS A 49 1.860 0.521 5.894 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -1.060 0.416 6.750 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.334 0.646 7.787 1.00 0.00 H new ATOM 0 HD1 HIS A 49 1.258 3.155 8.046 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -1.772 2.526 5.129 1.00 0.00 H new ATOM 0 HE1 HIS A 49 0.457 5.465 7.238 1.00 0.00 H new ATOM 745 N LYS A 50 0.895 -1.856 7.069 1.00 0.00 N ATOM 746 CA LYS A 50 0.735 -3.289 7.282 1.00 0.00 C ATOM 747 C LYS A 50 -0.747 -3.624 7.418 1.00 0.00 C ATOM 748 O LYS A 50 -1.446 -3.046 8.247 1.00 0.00 O ATOM 749 CB LYS A 50 1.499 -3.741 8.529 1.00 0.00 C ATOM 750 CG LYS A 50 3.004 -3.713 8.275 1.00 0.00 C ATOM 751 CD LYS A 50 3.739 -4.347 9.459 1.00 0.00 C ATOM 752 CE LYS A 50 5.225 -4.520 9.152 1.00 0.00 C ATOM 753 NZ LYS A 50 5.899 -3.218 8.984 1.00 0.00 N ATOM 0 H LYS A 50 1.101 -1.323 7.914 1.00 0.00 H new ATOM 0 HA LYS A 50 1.146 -3.820 6.423 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.254 -3.090 9.368 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.190 -4.749 8.806 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.238 -4.253 7.358 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.340 -2.686 8.134 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.617 -3.722 10.344 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.296 -5.316 9.690 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.702 -5.076 9.959 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.343 -5.112 8.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.921 -3.369 8.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.517 -2.735 8.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.735 -2.631 9.827 1.00 0.00 H new ATOM 767 N GLY A 51 -1.226 -4.563 6.602 1.00 0.00 N ATOM 768 CA GLY A 51 -2.599 -5.045 6.629 1.00 0.00 C ATOM 769 C GLY A 51 -3.632 -4.036 6.118 1.00 0.00 C ATOM 770 O GLY A 51 -4.783 -4.414 5.905 1.00 0.00 O ATOM 0 H GLY A 51 -0.654 -5.017 5.890 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.665 -5.951 6.027 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.854 -5.322 7.652 1.00 0.00 H new ATOM 774 N PHE A 52 -3.257 -2.770 5.911 1.00 0.00 N ATOM 775 CA PHE A 52 -4.182 -1.768 5.394 1.00 0.00 C ATOM 776 C PHE A 52 -3.452 -0.706 4.577 1.00 0.00 C ATOM 777 O PHE A 52 -2.223 -0.656 4.561 1.00 0.00 O ATOM 778 CB PHE A 52 -4.952 -1.092 6.537 1.00 0.00 C ATOM 779 CG PHE A 52 -4.091 -0.338 7.518 1.00 0.00 C ATOM 780 CD1 PHE A 52 -3.563 -0.992 8.640 1.00 0.00 C ATOM 781 CD2 PHE A 52 -3.822 1.021 7.306 1.00 0.00 C ATOM 782 CE1 PHE A 52 -2.749 -0.289 9.541 1.00 0.00 C ATOM 783 CE2 PHE A 52 -3.014 1.723 8.206 1.00 0.00 C ATOM 784 CZ PHE A 52 -2.474 1.065 9.321 1.00 0.00 C ATOM 0 H PHE A 52 -2.317 -2.419 6.095 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.887 -2.286 4.744 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.680 -0.403 6.109 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.514 -1.853 7.078 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.783 -2.036 8.811 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.239 1.526 6.447 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.336 -0.792 10.403 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.806 2.770 8.043 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.844 1.605 10.012 1.00 0.00 H new ATOM 794 N ALA A 53 -4.225 0.145 3.898 1.00 0.00 N ATOM 795 CA ALA A 53 -3.718 1.268 3.131 1.00 0.00 C ATOM 796 C ALA A 53 -4.746 2.400 3.140 1.00 0.00 C ATOM 797 O ALA A 53 -5.899 2.189 3.525 1.00 0.00 O ATOM 798 CB ALA A 53 -3.418 0.806 1.706 1.00 0.00 C ATOM 0 H ALA A 53 -5.241 0.064 3.870 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.796 1.643 3.576 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.037 1.645 1.124 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.671 0.012 1.730 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.332 0.431 1.245 1.00 0.00 H new ATOM 804 N PHE A 54 -4.334 3.598 2.716 1.00 0.00 N ATOM 805 CA PHE A 54 -5.204 4.761 2.674 1.00 0.00 C ATOM 806 C PHE A 54 -4.960 5.554 1.397 1.00 0.00 C ATOM 807 O PHE A 54 -3.830 5.654 0.921 1.00 0.00 O ATOM 808 CB PHE A 54 -4.964 5.635 3.910 1.00 0.00 C ATOM 809 CG PHE A 54 -5.834 5.279 5.091 1.00 0.00 C ATOM 810 CD1 PHE A 54 -7.188 5.648 5.078 1.00 0.00 C ATOM 811 CD2 PHE A 54 -5.307 4.600 6.197 1.00 0.00 C ATOM 812 CE1 PHE A 54 -8.018 5.322 6.157 1.00 0.00 C ATOM 813 CE2 PHE A 54 -6.137 4.267 7.276 1.00 0.00 C ATOM 814 CZ PHE A 54 -7.494 4.627 7.250 1.00 0.00 C ATOM 0 H PHE A 54 -3.384 3.782 2.393 1.00 0.00 H new ATOM 0 HA PHE A 54 -6.243 4.431 2.678 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.918 5.551 4.204 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -5.138 6.678 3.645 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -7.591 6.185 4.232 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.261 4.333 6.218 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -9.060 5.607 6.145 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.734 3.735 8.125 1.00 0.00 H new ATOM 0 HZ PHE A 54 -8.136 4.366 8.079 1.00 0.00 H new ATOM 824 N VAL A 55 -6.032 6.120 0.839 1.00 0.00 N ATOM 825 CA VAL A 55 -5.976 6.895 -0.392 1.00 0.00 C ATOM 826 C VAL A 55 -6.811 8.155 -0.229 1.00 0.00 C ATOM 827 O VAL A 55 -7.900 8.107 0.332 1.00 0.00 O ATOM 828 CB VAL A 55 -6.486 6.053 -1.567 1.00 0.00 C ATOM 829 CG1 VAL A 55 -6.532 6.880 -2.848 1.00 0.00 C ATOM 830 CG2 VAL A 55 -5.559 4.857 -1.796 1.00 0.00 C ATOM 0 H VAL A 55 -6.969 6.050 1.236 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.944 7.178 -0.601 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.491 5.710 -1.320 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.897 6.261 -3.668 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.201 7.729 -2.709 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.531 7.241 -3.084 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.929 4.265 -2.633 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.554 5.214 -2.021 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.533 4.240 -0.898 1.00 0.00 H new ATOM 840 N GLN A 56 -6.304 9.286 -0.721 1.00 0.00 N ATOM 841 CA GLN A 56 -6.940 10.583 -0.579 1.00 0.00 C ATOM 842 C GLN A 56 -7.304 11.127 -1.954 1.00 0.00 C ATOM 843 O GLN A 56 -6.431 11.413 -2.776 1.00 0.00 O ATOM 844 CB GLN A 56 -5.974 11.506 0.174 1.00 0.00 C ATOM 845 CG GLN A 56 -6.486 12.934 0.352 1.00 0.00 C ATOM 846 CD GLN A 56 -7.737 12.986 1.217 1.00 0.00 C ATOM 847 OE1 GLN A 56 -7.664 12.924 2.444 1.00 0.00 O ATOM 848 NE2 GLN A 56 -8.891 13.102 0.576 1.00 0.00 N ATOM 0 H GLN A 56 -5.425 9.320 -1.237 1.00 0.00 H new ATOM 0 HA GLN A 56 -7.866 10.510 -0.009 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.772 11.079 1.156 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.025 11.536 -0.362 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.706 13.545 0.805 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.702 13.366 -0.625 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -8.906 13.150 -0.443 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -9.764 13.143 1.101 1.00 0.00 H new ATOM 857 N TYR A 57 -8.606 11.271 -2.202 1.00 0.00 N ATOM 858 CA TYR A 57 -9.121 11.839 -3.438 1.00 0.00 C ATOM 859 C TYR A 57 -9.349 13.338 -3.271 1.00 0.00 C ATOM 860 O TYR A 57 -9.080 13.904 -2.211 1.00 0.00 O ATOM 861 CB TYR A 57 -10.421 11.149 -3.849 1.00 0.00 C ATOM 862 CG TYR A 57 -10.283 9.731 -4.340 1.00 0.00 C ATOM 863 CD1 TYR A 57 -9.394 9.431 -5.383 1.00 0.00 C ATOM 864 CD2 TYR A 57 -11.064 8.720 -3.772 1.00 0.00 C ATOM 865 CE1 TYR A 57 -9.315 8.129 -5.892 1.00 0.00 C ATOM 866 CE2 TYR A 57 -10.996 7.414 -4.279 1.00 0.00 C ATOM 867 CZ TYR A 57 -10.126 7.119 -5.344 1.00 0.00 C ATOM 868 OH TYR A 57 -10.074 5.853 -5.841 1.00 0.00 O ATOM 0 H TYR A 57 -9.334 10.994 -1.544 1.00 0.00 H new ATOM 0 HA TYR A 57 -8.384 11.679 -4.225 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -11.099 11.154 -2.995 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -10.892 11.741 -4.633 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -8.768 10.208 -5.795 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -11.719 8.945 -2.943 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -8.636 7.902 -6.700 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -11.611 6.636 -3.852 1.00 0.00 H new ATOM 0 HH TYR A 57 -9.369 5.797 -6.520 1.00 0.00 H new ATOM 878 N VAL A 58 -9.851 13.984 -4.326 1.00 0.00 N ATOM 879 CA VAL A 58 -10.113 15.418 -4.314 1.00 0.00 C ATOM 880 C VAL A 58 -11.452 15.722 -3.641 1.00 0.00 C ATOM 881 O VAL A 58 -11.637 16.812 -3.102 1.00 0.00 O ATOM 882 CB VAL A 58 -10.087 15.949 -5.752 1.00 0.00 C ATOM 883 CG1 VAL A 58 -10.390 17.448 -5.797 1.00 0.00 C ATOM 884 CG2 VAL A 58 -8.709 15.732 -6.372 1.00 0.00 C ATOM 0 H VAL A 58 -10.085 13.527 -5.207 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.337 15.919 -3.736 1.00 0.00 H new ATOM 0 HB VAL A 58 -10.849 15.404 -6.309 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.364 17.794 -6.830 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -11.379 17.632 -5.378 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -9.643 17.988 -5.215 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.705 16.114 -7.393 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.958 16.260 -5.784 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.478 14.667 -6.382 1.00 0.00 H new ATOM 894 N ASN A 59 -12.389 14.768 -3.667 1.00 0.00 N ATOM 895 CA ASN A 59 -13.731 14.965 -3.136 1.00 0.00 C ATOM 896 C ASN A 59 -14.361 13.639 -2.698 1.00 0.00 C ATOM 897 O ASN A 59 -13.762 12.575 -2.850 1.00 0.00 O ATOM 898 CB ASN A 59 -14.587 15.626 -4.218 1.00 0.00 C ATOM 899 CG ASN A 59 -14.643 14.780 -5.478 1.00 0.00 C ATOM 900 OD1 ASN A 59 -15.086 13.639 -5.450 1.00 0.00 O ATOM 901 ND2 ASN A 59 -14.192 15.329 -6.596 1.00 0.00 N ATOM 0 H ASN A 59 -12.233 13.839 -4.058 1.00 0.00 H new ATOM 0 HA ASN A 59 -13.676 15.603 -2.254 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -15.597 15.783 -3.839 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -14.179 16.608 -4.456 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -14.208 14.799 -7.467 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.829 16.282 -6.586 1.00 0.00 H new ATOM 908 N GLU A 60 -15.579 13.717 -2.153 1.00 0.00 N ATOM 909 CA GLU A 60 -16.312 12.556 -1.668 1.00 0.00 C ATOM 910 C GLU A 60 -16.804 11.680 -2.815 1.00 0.00 C ATOM 911 O GLU A 60 -16.834 10.458 -2.698 1.00 0.00 O ATOM 912 CB GLU A 60 -17.489 13.059 -0.824 1.00 0.00 C ATOM 913 CG GLU A 60 -18.532 11.962 -0.607 1.00 0.00 C ATOM 914 CD GLU A 60 -19.581 12.386 0.415 1.00 0.00 C ATOM 915 OE1 GLU A 60 -20.142 13.491 0.249 1.00 0.00 O ATOM 916 OE2 GLU A 60 -19.815 11.597 1.360 1.00 0.00 O ATOM 0 H GLU A 60 -16.083 14.596 -2.038 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.650 11.935 -1.065 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -17.123 13.410 0.141 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -17.954 13.912 -1.318 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -19.018 11.728 -1.554 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -18.039 11.051 -0.268 1.00 0.00 H new ATOM 923 N ARG A 61 -17.191 12.298 -3.931 1.00 0.00 N ATOM 924 CA ARG A 61 -17.716 11.595 -5.093 1.00 0.00 C ATOM 925 C ARG A 61 -16.703 10.553 -5.575 1.00 0.00 C ATOM 926 O ARG A 61 -17.076 9.437 -5.938 1.00 0.00 O ATOM 927 CB ARG A 61 -18.049 12.671 -6.133 1.00 0.00 C ATOM 928 CG ARG A 61 -17.743 12.294 -7.584 1.00 0.00 C ATOM 929 CD ARG A 61 -18.658 11.176 -8.078 1.00 0.00 C ATOM 930 NE ARG A 61 -18.360 10.812 -9.468 1.00 0.00 N ATOM 931 CZ ARG A 61 -18.885 9.753 -10.089 1.00 0.00 C ATOM 932 NH1 ARG A 61 -19.743 8.952 -9.465 1.00 0.00 N ATOM 933 NH2 ARG A 61 -18.551 9.493 -11.351 1.00 0.00 N ATOM 0 H ARG A 61 -17.147 13.310 -4.051 1.00 0.00 H new ATOM 0 HA ARG A 61 -18.621 11.028 -4.874 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -19.109 12.914 -6.054 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -17.495 13.576 -5.885 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -17.861 13.170 -8.221 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -16.703 11.978 -7.667 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -18.542 10.301 -7.439 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -19.698 11.494 -7.999 1.00 0.00 H new ATOM 0 HE ARG A 61 -17.714 11.403 -9.991 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -20.009 9.143 -8.499 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -20.136 8.147 -9.952 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -17.896 10.102 -11.841 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -18.950 8.685 -11.828 1.00 0.00 H new ATOM 947 N ASN A 62 -15.420 10.912 -5.577 1.00 0.00 N ATOM 948 CA ASN A 62 -14.359 10.013 -6.010 1.00 0.00 C ATOM 949 C ASN A 62 -14.205 8.862 -5.011 1.00 0.00 C ATOM 950 O ASN A 62 -13.890 7.736 -5.396 1.00 0.00 O ATOM 951 CB ASN A 62 -13.061 10.817 -6.121 1.00 0.00 C ATOM 952 CG ASN A 62 -12.964 11.592 -7.430 1.00 0.00 C ATOM 953 OD1 ASN A 62 -11.977 11.490 -8.146 1.00 0.00 O ATOM 954 ND2 ASN A 62 -13.980 12.378 -7.769 1.00 0.00 N ATOM 0 H ASN A 62 -15.091 11.830 -5.279 1.00 0.00 H new ATOM 0 HA ASN A 62 -14.602 9.580 -6.980 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -12.996 11.513 -5.285 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.210 10.140 -6.039 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -13.946 12.909 -8.639 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -14.794 12.450 -7.159 1.00 0.00 H new ATOM 961 N ALA A 63 -14.427 9.128 -3.719 1.00 0.00 N ATOM 962 CA ALA A 63 -14.318 8.085 -2.706 1.00 0.00 C ATOM 963 C ALA A 63 -15.437 7.057 -2.865 1.00 0.00 C ATOM 964 O ALA A 63 -15.185 5.861 -2.730 1.00 0.00 O ATOM 965 CB ALA A 63 -14.334 8.707 -1.311 1.00 0.00 C ATOM 0 H ALA A 63 -14.680 10.048 -3.358 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.370 7.564 -2.839 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -14.252 7.920 -0.561 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.494 9.394 -1.209 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -15.267 9.251 -1.166 1.00 0.00 H new ATOM 971 N ARG A 64 -16.666 7.501 -3.151 1.00 0.00 N ATOM 972 CA ARG A 64 -17.790 6.592 -3.354 1.00 0.00 C ATOM 973 C ARG A 64 -17.563 5.740 -4.596 1.00 0.00 C ATOM 974 O ARG A 64 -18.096 4.639 -4.687 1.00 0.00 O ATOM 975 CB ARG A 64 -19.088 7.388 -3.525 1.00 0.00 C ATOM 976 CG ARG A 64 -19.404 8.308 -2.343 1.00 0.00 C ATOM 977 CD ARG A 64 -19.633 7.536 -1.047 1.00 0.00 C ATOM 978 NE ARG A 64 -19.876 8.472 0.056 1.00 0.00 N ATOM 979 CZ ARG A 64 -20.211 8.115 1.297 1.00 0.00 C ATOM 980 NH1 ARG A 64 -20.369 6.837 1.625 1.00 0.00 N ATOM 981 NH2 ARG A 64 -20.388 9.051 2.222 1.00 0.00 N ATOM 0 H ARG A 64 -16.904 8.488 -3.246 1.00 0.00 H new ATOM 0 HA ARG A 64 -17.870 5.946 -2.480 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -19.020 7.987 -4.433 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -19.915 6.692 -3.664 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -18.582 9.010 -2.203 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -20.292 8.898 -2.573 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -20.484 6.864 -1.159 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -18.765 6.916 -0.825 1.00 0.00 H new ATOM 0 HE ARG A 64 -19.782 9.469 -0.140 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -20.234 6.110 0.923 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -20.625 6.583 2.579 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -20.268 10.035 1.981 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -20.644 8.786 3.173 1.00 0.00 H new ATOM 995 N ALA A 65 -16.771 6.238 -5.550 1.00 0.00 N ATOM 996 CA ALA A 65 -16.490 5.507 -6.773 1.00 0.00 C ATOM 997 C ALA A 65 -15.620 4.281 -6.493 1.00 0.00 C ATOM 998 O ALA A 65 -15.865 3.219 -7.055 1.00 0.00 O ATOM 999 CB ALA A 65 -15.792 6.436 -7.763 1.00 0.00 C ATOM 0 H ALA A 65 -16.315 7.149 -5.491 1.00 0.00 H new ATOM 0 HA ALA A 65 -17.430 5.157 -7.198 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -15.578 5.893 -8.683 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -16.440 7.284 -7.984 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -14.859 6.795 -7.329 1.00 0.00 H new ATOM 1005 N ALA A 66 -14.609 4.418 -5.628 1.00 0.00 N ATOM 1006 CA ALA A 66 -13.724 3.301 -5.323 1.00 0.00 C ATOM 1007 C ALA A 66 -14.220 2.478 -4.139 1.00 0.00 C ATOM 1008 O ALA A 66 -13.956 1.279 -4.070 1.00 0.00 O ATOM 1009 CB ALA A 66 -12.325 3.848 -5.073 1.00 0.00 C ATOM 0 H ALA A 66 -14.389 5.283 -5.134 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.708 2.620 -6.174 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.648 3.025 -4.843 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -11.973 4.369 -5.964 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.351 4.542 -4.233 1.00 0.00 H new ATOM 1015 N VAL A 67 -14.941 3.104 -3.207 1.00 0.00 N ATOM 1016 CA VAL A 67 -15.506 2.406 -2.053 1.00 0.00 C ATOM 1017 C VAL A 67 -16.646 1.484 -2.490 1.00 0.00 C ATOM 1018 O VAL A 67 -16.973 0.535 -1.782 1.00 0.00 O ATOM 1019 CB VAL A 67 -15.944 3.423 -0.995 1.00 0.00 C ATOM 1020 CG1 VAL A 67 -16.871 2.791 0.041 1.00 0.00 C ATOM 1021 CG2 VAL A 67 -14.709 3.964 -0.278 1.00 0.00 C ATOM 0 H VAL A 67 -15.148 4.102 -3.231 1.00 0.00 H new ATOM 0 HA VAL A 67 -14.745 1.770 -1.600 1.00 0.00 H new ATOM 0 HB VAL A 67 -16.484 4.224 -1.501 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -17.161 3.542 0.776 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -17.762 2.405 -0.455 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -16.353 1.974 0.543 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -15.015 4.689 0.477 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.178 3.142 0.202 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -14.052 4.448 -1.000 1.00 0.00 H new ATOM 1031 N ALA A 68 -17.252 1.756 -3.645 1.00 0.00 N ATOM 1032 CA ALA A 68 -18.262 0.877 -4.221 1.00 0.00 C ATOM 1033 C ALA A 68 -17.751 0.167 -5.477 1.00 0.00 C ATOM 1034 O ALA A 68 -18.403 -0.750 -5.968 1.00 0.00 O ATOM 1035 CB ALA A 68 -19.518 1.693 -4.512 1.00 0.00 C ATOM 0 H ALA A 68 -17.057 2.587 -4.203 1.00 0.00 H new ATOM 0 HA ALA A 68 -18.499 0.092 -3.503 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -20.281 1.045 -4.944 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -19.893 2.127 -3.585 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -19.279 2.490 -5.216 1.00 0.00 H new ATOM 1041 N GLY A 69 -16.591 0.583 -6.000 1.00 0.00 N ATOM 1042 CA GLY A 69 -16.030 -0.004 -7.210 1.00 0.00 C ATOM 1043 C GLY A 69 -15.045 -1.140 -6.933 1.00 0.00 C ATOM 1044 O GLY A 69 -15.068 -2.153 -7.631 1.00 0.00 O ATOM 0 H GLY A 69 -16.024 1.329 -5.597 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -16.842 -0.380 -7.832 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -15.524 0.774 -7.782 1.00 0.00 H new ATOM 1048 N GLU A 70 -14.187 -0.983 -5.922 1.00 0.00 N ATOM 1049 CA GLU A 70 -13.140 -1.953 -5.616 1.00 0.00 C ATOM 1050 C GLU A 70 -13.439 -2.758 -4.357 1.00 0.00 C ATOM 1051 O GLU A 70 -12.782 -3.767 -4.119 1.00 0.00 O ATOM 1052 CB GLU A 70 -11.805 -1.219 -5.460 1.00 0.00 C ATOM 1053 CG GLU A 70 -11.343 -0.588 -6.774 1.00 0.00 C ATOM 1054 CD GLU A 70 -10.911 -1.655 -7.776 1.00 0.00 C ATOM 1055 OE1 GLU A 70 -11.797 -2.190 -8.479 1.00 0.00 O ATOM 1056 OE2 GLU A 70 -9.691 -1.932 -7.838 1.00 0.00 O ATOM 0 H GLU A 70 -14.201 -0.179 -5.294 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.092 -2.662 -6.443 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -11.904 -0.444 -4.700 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -11.046 -1.917 -5.106 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.151 0.008 -7.199 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.513 0.092 -6.582 1.00 0.00 H new ATOM 1063 N ASP A 71 -14.408 -2.345 -3.536 1.00 0.00 N ATOM 1064 CA ASP A 71 -14.682 -3.054 -2.296 1.00 0.00 C ATOM 1065 C ASP A 71 -15.059 -4.510 -2.575 1.00 0.00 C ATOM 1066 O ASP A 71 -15.923 -4.786 -3.408 1.00 0.00 O ATOM 1067 CB ASP A 71 -15.783 -2.331 -1.522 1.00 0.00 C ATOM 1068 CG ASP A 71 -16.188 -3.123 -0.282 1.00 0.00 C ATOM 1069 OD1 ASP A 71 -15.273 -3.609 0.418 1.00 0.00 O ATOM 1070 OD2 ASP A 71 -17.411 -3.238 -0.049 1.00 0.00 O ATOM 0 H ASP A 71 -15.004 -1.536 -3.708 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.780 -3.064 -1.684 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.436 -1.340 -1.228 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -16.651 -2.187 -2.166 1.00 0.00 H new ATOM 1075 N GLY A 72 -14.405 -5.439 -1.872 1.00 0.00 N ATOM 1076 CA GLY A 72 -14.671 -6.862 -2.005 1.00 0.00 C ATOM 1077 C GLY A 72 -13.898 -7.501 -3.153 1.00 0.00 C ATOM 1078 O GLY A 72 -14.208 -8.631 -3.533 1.00 0.00 O ATOM 0 H GLY A 72 -13.675 -5.218 -1.194 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -14.411 -7.365 -1.073 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -15.739 -7.015 -2.162 1.00 0.00 H new ATOM 1082 N ARG A 73 -12.901 -6.807 -3.714 1.00 0.00 N ATOM 1083 CA ARG A 73 -12.128 -7.341 -4.829 1.00 0.00 C ATOM 1084 C ARG A 73 -10.902 -8.097 -4.336 1.00 0.00 C ATOM 1085 O ARG A 73 -10.474 -7.912 -3.199 1.00 0.00 O ATOM 1086 CB ARG A 73 -11.744 -6.243 -5.822 1.00 0.00 C ATOM 1087 CG ARG A 73 -10.503 -5.451 -5.399 1.00 0.00 C ATOM 1088 CD ARG A 73 -9.903 -4.739 -6.607 1.00 0.00 C ATOM 1089 NE ARG A 73 -9.203 -5.693 -7.474 1.00 0.00 N ATOM 1090 CZ ARG A 73 -8.498 -5.355 -8.557 1.00 0.00 C ATOM 1091 NH1 ARG A 73 -8.405 -4.088 -8.950 1.00 0.00 N ATOM 1092 NH2 ARG A 73 -7.877 -6.299 -9.257 1.00 0.00 N ATOM 0 H ARG A 73 -12.615 -5.876 -3.411 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.763 -8.050 -5.359 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.564 -6.693 -6.799 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.583 -5.557 -5.937 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -10.770 -4.723 -4.633 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -9.766 -6.122 -4.959 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.691 -4.239 -7.170 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -9.210 -3.966 -6.273 1.00 0.00 H new ATOM 0 HE ARG A 73 -9.258 -6.683 -7.233 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -8.877 -3.354 -8.422 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.862 -3.850 -9.780 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -7.941 -7.275 -8.966 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.337 -6.048 -10.085 1.00 0.00 H new ATOM 1106 N MET A 74 -10.333 -8.947 -5.189 1.00 0.00 N ATOM 1107 CA MET A 74 -9.120 -9.671 -4.853 1.00 0.00 C ATOM 1108 C MET A 74 -7.893 -8.987 -5.447 1.00 0.00 C ATOM 1109 O MET A 74 -7.920 -8.529 -6.592 1.00 0.00 O ATOM 1110 CB MET A 74 -9.235 -11.123 -5.308 1.00 0.00 C ATOM 1111 CG MET A 74 -7.900 -11.843 -5.107 1.00 0.00 C ATOM 1112 SD MET A 74 -8.027 -13.641 -5.001 1.00 0.00 S ATOM 1113 CE MET A 74 -8.768 -13.726 -3.352 1.00 0.00 C ATOM 0 H MET A 74 -10.698 -9.148 -6.120 1.00 0.00 H new ATOM 0 HA MET A 74 -8.995 -9.666 -3.770 1.00 0.00 H new ATOM 0 HB2 MET A 74 -10.019 -11.628 -4.743 1.00 0.00 H new ATOM 0 HB3 MET A 74 -9.524 -11.162 -6.358 1.00 0.00 H new ATOM 0 HG2 MET A 74 -7.236 -11.586 -5.932 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.434 -11.470 -4.195 1.00 0.00 H new ATOM 0 HE1 MET A 74 -8.255 -14.485 -2.761 1.00 0.00 H new ATOM 0 HE2 MET A 74 -8.673 -12.758 -2.860 1.00 0.00 H new ATOM 0 HE3 MET A 74 -9.823 -13.986 -3.440 1.00 0.00 H new ATOM 1123 N ILE A 75 -6.821 -8.929 -4.653 1.00 0.00 N ATOM 1124 CA ILE A 75 -5.524 -8.404 -5.062 1.00 0.00 C ATOM 1125 C ILE A 75 -4.441 -9.260 -4.409 1.00 0.00 C ATOM 1126 O ILE A 75 -4.523 -9.564 -3.220 1.00 0.00 O ATOM 1127 CB ILE A 75 -5.378 -6.931 -4.640 1.00 0.00 C ATOM 1128 CG1 ILE A 75 -6.537 -6.094 -5.207 1.00 0.00 C ATOM 1129 CG2 ILE A 75 -4.042 -6.373 -5.136 1.00 0.00 C ATOM 1130 CD1 ILE A 75 -6.528 -4.650 -4.711 1.00 0.00 C ATOM 0 H ILE A 75 -6.835 -9.254 -3.686 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.429 -8.444 -6.147 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.406 -6.877 -3.552 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -6.483 -6.099 -6.296 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.483 -6.561 -4.933 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.948 -5.330 -4.833 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.224 -6.951 -4.706 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.001 -6.440 -6.223 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -7.369 -4.111 -5.146 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.612 -4.638 -3.624 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.596 -4.169 -5.008 1.00 0.00 H new ATOM 1142 N ALA A 76 -3.428 -9.645 -5.187 1.00 0.00 N ATOM 1143 CA ALA A 76 -2.323 -10.475 -4.725 1.00 0.00 C ATOM 1144 C ALA A 76 -2.749 -11.769 -4.017 1.00 0.00 C ATOM 1145 O ALA A 76 -1.941 -12.374 -3.312 1.00 0.00 O ATOM 1146 CB ALA A 76 -1.377 -9.629 -3.879 1.00 0.00 C ATOM 0 H ALA A 76 -3.355 -9.383 -6.170 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.797 -10.832 -5.610 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.549 -10.247 -3.531 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.989 -8.806 -4.480 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.916 -9.229 -3.020 1.00 0.00 H new ATOM 1152 N GLY A 77 -4.002 -12.207 -4.187 1.00 0.00 N ATOM 1153 CA GLY A 77 -4.465 -13.486 -3.663 1.00 0.00 C ATOM 1154 C GLY A 77 -5.375 -13.369 -2.443 1.00 0.00 C ATOM 1155 O GLY A 77 -5.840 -14.391 -1.941 1.00 0.00 O ATOM 0 H GLY A 77 -4.717 -11.683 -4.691 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.999 -14.017 -4.451 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.599 -14.093 -3.400 1.00 0.00 H new ATOM 1159 N GLN A 78 -5.640 -12.152 -1.959 1.00 0.00 N ATOM 1160 CA GLN A 78 -6.554 -11.922 -0.843 1.00 0.00 C ATOM 1161 C GLN A 78 -7.517 -10.790 -1.171 1.00 0.00 C ATOM 1162 O GLN A 78 -7.244 -9.960 -2.037 1.00 0.00 O ATOM 1163 CB GLN A 78 -5.784 -11.604 0.442 1.00 0.00 C ATOM 1164 CG GLN A 78 -5.105 -12.844 1.030 1.00 0.00 C ATOM 1165 CD GLN A 78 -3.598 -12.646 1.143 1.00 0.00 C ATOM 1166 OE1 GLN A 78 -3.052 -12.557 2.239 1.00 0.00 O ATOM 1167 NE2 GLN A 78 -2.922 -12.576 0.002 1.00 0.00 N ATOM 0 H GLN A 78 -5.225 -11.299 -2.333 1.00 0.00 H new ATOM 0 HA GLN A 78 -7.125 -12.836 -0.681 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -5.031 -10.844 0.234 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -6.468 -11.182 1.179 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -5.521 -13.057 2.015 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -5.315 -13.709 0.401 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.414 -12.655 -0.888 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -1.911 -12.444 0.016 1.00 0.00 H new ATOM 1176 N VAL A 79 -8.652 -10.759 -0.471 1.00 0.00 N ATOM 1177 CA VAL A 79 -9.655 -9.718 -0.645 1.00 0.00 C ATOM 1178 C VAL A 79 -9.438 -8.619 0.387 1.00 0.00 C ATOM 1179 O VAL A 79 -8.985 -8.878 1.502 1.00 0.00 O ATOM 1180 CB VAL A 79 -11.063 -10.314 -0.558 1.00 0.00 C ATOM 1181 CG1 VAL A 79 -12.145 -9.236 -0.644 1.00 0.00 C ATOM 1182 CG2 VAL A 79 -11.278 -11.294 -1.709 1.00 0.00 C ATOM 0 H VAL A 79 -8.898 -11.457 0.231 1.00 0.00 H new ATOM 0 HA VAL A 79 -9.553 -9.274 -1.635 1.00 0.00 H new ATOM 0 HB VAL A 79 -11.142 -10.817 0.406 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -13.128 -9.702 -0.578 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -12.022 -8.531 0.178 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -12.057 -8.707 -1.593 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -12.281 -11.717 -1.645 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -11.165 -10.771 -2.658 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.542 -12.095 -1.647 1.00 0.00 H new ATOM 1192 N LEU A 80 -9.769 -7.389 -0.001 1.00 0.00 N ATOM 1193 CA LEU A 80 -9.615 -6.212 0.835 1.00 0.00 C ATOM 1194 C LEU A 80 -10.975 -5.577 1.090 1.00 0.00 C ATOM 1195 O LEU A 80 -11.847 -5.567 0.222 1.00 0.00 O ATOM 1196 CB LEU A 80 -8.589 -5.209 0.273 1.00 0.00 C ATOM 1197 CG LEU A 80 -8.293 -5.228 -1.235 1.00 0.00 C ATOM 1198 CD1 LEU A 80 -7.603 -6.511 -1.701 1.00 0.00 C ATOM 1199 CD2 LEU A 80 -9.559 -4.984 -2.047 1.00 0.00 C ATOM 0 H LEU A 80 -10.158 -7.185 -0.922 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.202 -6.531 1.792 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.930 -4.206 0.531 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.647 -5.370 0.797 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.592 -4.412 -1.411 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.423 -6.458 -2.775 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.653 -6.623 -1.179 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.241 -7.367 -1.482 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.319 -5.003 -3.110 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.289 -5.763 -1.826 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.976 -4.011 -1.787 1.00 0.00 H new ATOM 1211 N ASP A 81 -11.140 -5.049 2.304 1.00 0.00 N ATOM 1212 CA ASP A 81 -12.373 -4.434 2.757 1.00 0.00 C ATOM 1213 C ASP A 81 -12.228 -2.923 2.636 1.00 0.00 C ATOM 1214 O ASP A 81 -11.532 -2.298 3.436 1.00 0.00 O ATOM 1215 CB ASP A 81 -12.629 -4.874 4.202 1.00 0.00 C ATOM 1216 CG ASP A 81 -13.897 -4.257 4.783 1.00 0.00 C ATOM 1217 OD1 ASP A 81 -14.880 -4.123 4.023 1.00 0.00 O ATOM 1218 OD2 ASP A 81 -13.868 -3.924 5.989 1.00 0.00 O ATOM 0 H ASP A 81 -10.402 -5.040 3.008 1.00 0.00 H new ATOM 0 HA ASP A 81 -13.226 -4.742 2.153 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.707 -5.961 4.239 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -11.776 -4.594 4.820 1.00 0.00 H new ATOM 1223 N ILE A 82 -12.885 -2.333 1.634 1.00 0.00 N ATOM 1224 CA ILE A 82 -12.764 -0.914 1.351 1.00 0.00 C ATOM 1225 C ILE A 82 -14.013 -0.186 1.841 1.00 0.00 C ATOM 1226 O ILE A 82 -15.128 -0.681 1.682 1.00 0.00 O ATOM 1227 CB ILE A 82 -12.523 -0.727 -0.147 1.00 0.00 C ATOM 1228 CG1 ILE A 82 -11.241 -1.459 -0.564 1.00 0.00 C ATOM 1229 CG2 ILE A 82 -12.420 0.756 -0.500 1.00 0.00 C ATOM 1230 CD1 ILE A 82 -11.176 -1.601 -2.079 1.00 0.00 C ATOM 0 H ILE A 82 -13.512 -2.830 1.002 1.00 0.00 H new ATOM 0 HA ILE A 82 -11.915 -0.482 1.881 1.00 0.00 H new ATOM 0 HB ILE A 82 -13.370 -1.148 -0.689 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -10.370 -0.910 -0.207 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -11.210 -2.444 -0.099 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.248 0.864 -1.571 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -13.348 1.260 -0.228 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -11.590 1.203 0.047 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -10.260 -2.123 -2.357 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -12.038 -2.170 -2.428 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -11.184 -0.612 -2.538 1.00 0.00 H new ATOM 1242 N ASN A 83 -13.826 0.993 2.437 1.00 0.00 N ATOM 1243 CA ASN A 83 -14.925 1.734 3.027 1.00 0.00 C ATOM 1244 C ASN A 83 -14.586 3.218 3.108 1.00 0.00 C ATOM 1245 O ASN A 83 -13.423 3.608 2.996 1.00 0.00 O ATOM 1246 CB ASN A 83 -15.195 1.161 4.425 1.00 0.00 C ATOM 1247 CG ASN A 83 -16.558 1.570 4.965 1.00 0.00 C ATOM 1248 OD1 ASN A 83 -17.552 0.894 4.714 1.00 0.00 O ATOM 1249 ND2 ASN A 83 -16.626 2.672 5.707 1.00 0.00 N ATOM 0 H ASN A 83 -12.918 1.450 2.520 1.00 0.00 H new ATOM 0 HA ASN A 83 -15.817 1.635 2.409 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -15.133 0.073 4.387 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -14.419 1.501 5.110 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -17.523 2.977 6.086 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -15.782 3.212 5.897 1.00 0.00 H new ATOM 1256 N LEU A 84 -15.606 4.055 3.308 1.00 0.00 N ATOM 1257 CA LEU A 84 -15.405 5.472 3.552 1.00 0.00 C ATOM 1258 C LEU A 84 -14.644 5.614 4.871 1.00 0.00 C ATOM 1259 O LEU A 84 -14.869 4.833 5.793 1.00 0.00 O ATOM 1260 CB LEU A 84 -16.768 6.169 3.615 1.00 0.00 C ATOM 1261 CG LEU A 84 -16.902 7.355 2.651 1.00 0.00 C ATOM 1262 CD1 LEU A 84 -15.914 8.455 3.012 1.00 0.00 C ATOM 1263 CD2 LEU A 84 -16.677 6.947 1.196 1.00 0.00 C ATOM 0 H LEU A 84 -16.584 3.766 3.304 1.00 0.00 H new ATOM 0 HA LEU A 84 -14.828 5.937 2.753 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -17.548 5.441 3.392 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -16.940 6.519 4.633 1.00 0.00 H new ATOM 0 HG LEU A 84 -17.924 7.722 2.751 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -16.025 9.287 2.316 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -16.110 8.802 4.027 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -14.898 8.065 2.952 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -16.782 7.821 0.553 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -15.675 6.533 1.085 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -17.413 6.195 0.911 1.00 0.00 H new ATOM 1275 N ALA A 85 -13.750 6.596 4.980 1.00 0.00 N ATOM 1276 CA ALA A 85 -12.881 6.683 6.144 1.00 0.00 C ATOM 1277 C ALA A 85 -13.577 7.267 7.372 1.00 0.00 C ATOM 1278 O ALA A 85 -12.958 7.362 8.430 1.00 0.00 O ATOM 1279 CB ALA A 85 -11.634 7.478 5.783 1.00 0.00 C ATOM 0 H ALA A 85 -13.612 7.330 4.286 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.600 5.668 6.424 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -10.981 7.545 6.653 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -11.106 6.978 4.971 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -11.921 8.481 5.466 1.00 0.00 H new ATOM 1285 N ALA A 86 -14.848 7.654 7.246 1.00 0.00 N ATOM 1286 CA ALA A 86 -15.618 8.190 8.355 1.00 0.00 C ATOM 1287 C ALA A 86 -16.965 7.483 8.486 1.00 0.00 C ATOM 1288 O ALA A 86 -17.844 7.962 9.200 1.00 0.00 O ATOM 1289 CB ALA A 86 -15.787 9.693 8.171 1.00 0.00 C ATOM 0 H ALA A 86 -15.367 7.602 6.369 1.00 0.00 H new ATOM 0 HA ALA A 86 -15.079 8.010 9.285 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -16.365 10.099 9.002 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -14.807 10.169 8.144 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -16.311 9.888 7.235 1.00 0.00 H new