USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 918 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 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 95 GLN : amide:sc= -1.7 K(o=-1.9,f=-2.4) USER MOD Set 1.3: A 96 GLN : amide:sc= -0.185 K(o=-1.9,f=-4.9!) USER MOD Set 2.1: A 81 MET CE :methyl -120:sc= 0 (180deg=0) USER MOD Set 2.2: A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 150:sc= -1.22 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 83:sc= -2.78! USER MOD Single : A 35 ASN : amide:sc= -0.422 K(o=-0.42,f=-5.2!) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.435 F(o=-3!,f=-0.43) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -153:sc=-0.00591 (180deg=-0.965) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -70:sc= -3.04! USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.126 X(o=-0.13,f=0) USER MOD Single : A 71 GLN : amide:sc= -0.322 X(o=-0.32,f=-0.53) USER MOD Single : A 73 HIS : no HD1:sc= -26.3! C(o=-26!,f=-29!) USER MOD Single : A 75 MET CE :methyl -161:sc= 0 (180deg=-0.288) USER MOD Single : A 84 HIS :FLIP no HD1:sc= -1.42 F(o=-3.6!,f=-1.4) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -81:sc= 1.14 USER MOD Single : A 94 TYR OH : rot 51:sc= -0.791! USER MOD Single : A 101 TYR OH : rot -177:sc= -5.85! USER MOD Single : A 104 LYS NZ :NH3+ 151:sc= -0.572 (180deg=-1.62!) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc= -0.129 X(o=-0.13,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 37 N ARG A 3 10.303 -13.557 0.447 1.00 0.00 N ATOM 38 CA ARG A 3 11.503 -12.799 0.784 1.00 0.00 C ATOM 39 C ARG A 3 11.151 -11.426 1.344 1.00 0.00 C ATOM 40 O ARG A 3 11.347 -11.154 2.529 1.00 0.00 O ATOM 41 CB ARG A 3 12.418 -12.651 -0.441 1.00 0.00 C ATOM 42 CG ARG A 3 11.700 -12.240 -1.720 1.00 0.00 C ATOM 43 CD ARG A 3 12.237 -12.991 -2.929 1.00 0.00 C ATOM 44 NE ARG A 3 11.169 -13.388 -3.847 1.00 0.00 N ATOM 45 CZ ARG A 3 10.741 -14.641 -4.001 1.00 0.00 C ATOM 46 NH1 ARG A 3 11.279 -15.632 -3.298 1.00 0.00 N ATOM 47 NH2 ARG A 3 9.763 -14.900 -4.861 1.00 0.00 N ATOM 0 HA ARG A 3 12.037 -13.356 1.554 1.00 0.00 H new ATOM 0 HB2 ARG A 3 13.187 -11.911 -0.217 1.00 0.00 H new ATOM 0 HB3 ARG A 3 12.928 -13.599 -0.614 1.00 0.00 H new ATOM 0 HG2 ARG A 3 10.632 -12.432 -1.616 1.00 0.00 H new ATOM 0 HG3 ARG A 3 11.817 -11.168 -1.875 1.00 0.00 H new ATOM 0 HD2 ARG A 3 12.954 -12.362 -3.457 1.00 0.00 H new ATOM 0 HD3 ARG A 3 12.776 -13.878 -2.595 1.00 0.00 H new ATOM 0 HE ARG A 3 10.724 -12.659 -4.405 1.00 0.00 H new ATOM 0 HH11 ARG A 3 12.027 -15.438 -2.633 1.00 0.00 H new ATOM 0 HH12 ARG A 3 10.944 -16.587 -3.424 1.00 0.00 H new ATOM 0 HH21 ARG A 3 9.343 -14.142 -5.400 1.00 0.00 H new ATOM 0 HH22 ARG A 3 9.431 -15.857 -4.983 1.00 0.00 H new ATOM 61 N GLY A 4 10.639 -10.572 0.480 1.00 0.00 N ATOM 62 CA GLY A 4 10.266 -9.231 0.875 1.00 0.00 C ATOM 63 C GLY A 4 9.983 -8.353 -0.324 1.00 0.00 C ATOM 64 O GLY A 4 10.883 -7.703 -0.858 1.00 0.00 O ATOM 0 H GLY A 4 10.472 -10.785 -0.503 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.383 -9.272 1.513 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.067 -8.790 1.468 1.00 0.00 H new ATOM 68 N ILE A 5 8.733 -8.341 -0.763 1.00 0.00 N ATOM 69 CA ILE A 5 8.347 -7.544 -1.913 1.00 0.00 C ATOM 70 C ILE A 5 7.322 -6.484 -1.538 1.00 0.00 C ATOM 71 O ILE A 5 6.181 -6.802 -1.203 1.00 0.00 O ATOM 72 CB ILE A 5 7.766 -8.419 -3.039 1.00 0.00 C ATOM 73 CG1 ILE A 5 8.658 -9.640 -3.283 1.00 0.00 C ATOM 74 CG2 ILE A 5 7.612 -7.598 -4.313 1.00 0.00 C ATOM 75 CD1 ILE A 5 10.059 -9.286 -3.727 1.00 0.00 C ATOM 0 H ILE A 5 7.972 -8.873 -0.340 1.00 0.00 H new ATOM 0 HA ILE A 5 9.255 -7.057 -2.269 1.00 0.00 H new ATOM 0 HB ILE A 5 6.781 -8.775 -2.736 1.00 0.00 H new ATOM 0 HG12 ILE A 5 8.714 -10.228 -2.367 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.195 -10.273 -4.040 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.200 -8.226 -5.103 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.939 -6.761 -4.127 1.00 0.00 H new ATOM 0 HG23 ILE A 5 8.586 -7.219 -4.621 1.00 0.00 H new ATOM 0 HD11 ILE A 5 10.634 -10.199 -3.881 1.00 0.00 H new ATOM 0 HD12 ILE A 5 10.014 -8.724 -4.660 1.00 0.00 H new ATOM 0 HD13 ILE A 5 10.541 -8.679 -2.961 1.00 0.00 H new ATOM 87 N VAL A 6 7.730 -5.222 -1.613 1.00 0.00 N ATOM 88 CA VAL A 6 6.836 -4.114 -1.301 1.00 0.00 C ATOM 89 C VAL A 6 6.395 -3.424 -2.581 1.00 0.00 C ATOM 90 O VAL A 6 7.222 -3.053 -3.412 1.00 0.00 O ATOM 91 CB VAL A 6 7.505 -3.072 -0.376 1.00 0.00 C ATOM 92 CG1 VAL A 6 8.655 -2.383 -1.086 1.00 0.00 C ATOM 93 CG2 VAL A 6 6.495 -2.040 0.096 1.00 0.00 C ATOM 0 H VAL A 6 8.672 -4.942 -1.886 1.00 0.00 H new ATOM 0 HA VAL A 6 5.975 -4.533 -0.780 1.00 0.00 H new ATOM 0 HB VAL A 6 7.896 -3.600 0.494 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.111 -1.654 -0.417 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.399 -3.124 -1.377 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.282 -1.875 -1.975 1.00 0.00 H new ATOM 0 HG21 VAL A 6 6.989 -1.318 0.745 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.073 -1.524 -0.766 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.697 -2.537 0.648 1.00 0.00 H new ATOM 103 N TRP A 7 5.096 -3.256 -2.741 1.00 0.00 N ATOM 104 CA TRP A 7 4.566 -2.608 -3.928 1.00 0.00 C ATOM 105 C TRP A 7 3.851 -1.325 -3.544 1.00 0.00 C ATOM 106 O TRP A 7 3.038 -1.302 -2.621 1.00 0.00 O ATOM 107 CB TRP A 7 3.643 -3.563 -4.679 1.00 0.00 C ATOM 108 CG TRP A 7 4.397 -4.528 -5.552 1.00 0.00 C ATOM 109 CD1 TRP A 7 5.740 -4.784 -5.512 1.00 0.00 C ATOM 110 CD2 TRP A 7 3.865 -5.360 -6.590 1.00 0.00 C ATOM 111 NE1 TRP A 7 6.078 -5.698 -6.475 1.00 0.00 N ATOM 112 CE2 TRP A 7 4.944 -6.078 -7.143 1.00 0.00 C ATOM 113 CE3 TRP A 7 2.584 -5.569 -7.108 1.00 0.00 C ATOM 114 CZ2 TRP A 7 4.780 -6.984 -8.189 1.00 0.00 C ATOM 115 CZ3 TRP A 7 2.423 -6.469 -8.143 1.00 0.00 C ATOM 116 CH2 TRP A 7 3.515 -7.168 -8.675 1.00 0.00 C ATOM 0 H TRP A 7 4.391 -3.557 -2.069 1.00 0.00 H new ATOM 0 HA TRP A 7 5.387 -2.346 -4.595 1.00 0.00 H new ATOM 0 HB2 TRP A 7 3.042 -4.121 -3.961 1.00 0.00 H new ATOM 0 HB3 TRP A 7 2.952 -2.986 -5.294 1.00 0.00 H new ATOM 0 HD1 TRP A 7 6.435 -4.331 -4.820 1.00 0.00 H new ATOM 0 HE1 TRP A 7 7.020 -6.040 -6.664 1.00 0.00 H new ATOM 0 HE3 TRP A 7 1.735 -5.036 -6.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 5.621 -7.521 -8.601 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 1.437 -6.637 -8.550 1.00 0.00 H new ATOM 0 HH2 TRP A 7 3.354 -7.865 -9.484 1.00 0.00 H new ATOM 127 N VAL A 8 4.198 -0.245 -4.232 1.00 0.00 N ATOM 128 CA VAL A 8 3.627 1.060 -3.933 1.00 0.00 C ATOM 129 C VAL A 8 2.918 1.669 -5.132 1.00 0.00 C ATOM 130 O VAL A 8 3.297 1.445 -6.276 1.00 0.00 O ATOM 131 CB VAL A 8 4.716 2.048 -3.468 1.00 0.00 C ATOM 132 CG1 VAL A 8 4.128 3.052 -2.492 1.00 0.00 C ATOM 133 CG2 VAL A 8 5.911 1.312 -2.858 1.00 0.00 C ATOM 0 H VAL A 8 4.870 -0.247 -4.999 1.00 0.00 H new ATOM 0 HA VAL A 8 2.901 0.894 -3.137 1.00 0.00 H new ATOM 0 HB VAL A 8 5.084 2.590 -4.339 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.906 3.745 -2.170 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.327 3.607 -2.980 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.729 2.526 -1.625 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.661 2.036 -2.540 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.580 0.731 -1.997 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.345 0.643 -3.602 1.00 0.00 H new ATOM 143 N VAL A 9 1.891 2.462 -4.859 1.00 0.00 N ATOM 144 CA VAL A 9 1.140 3.126 -5.917 1.00 0.00 C ATOM 145 C VAL A 9 1.096 4.635 -5.678 1.00 0.00 C ATOM 146 O VAL A 9 0.499 5.105 -4.709 1.00 0.00 O ATOM 147 CB VAL A 9 -0.298 2.567 -6.053 1.00 0.00 C ATOM 148 CG1 VAL A 9 -0.594 2.239 -7.513 1.00 0.00 C ATOM 149 CG2 VAL A 9 -0.495 1.334 -5.177 1.00 0.00 C ATOM 0 H VAL A 9 1.559 2.661 -3.915 1.00 0.00 H new ATOM 0 HA VAL A 9 1.661 2.925 -6.853 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.996 3.331 -5.713 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.607 1.846 -7.600 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.502 3.143 -8.115 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.116 1.493 -7.869 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.514 0.964 -5.293 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.209 0.558 -5.477 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.322 1.598 -4.134 1.00 0.00 H new ATOM 159 N ASP A 10 1.748 5.387 -6.566 1.00 0.00 N ATOM 160 CA ASP A 10 1.805 6.844 -6.457 1.00 0.00 C ATOM 161 C ASP A 10 2.275 7.477 -7.767 1.00 0.00 C ATOM 162 O ASP A 10 2.182 6.868 -8.832 1.00 0.00 O ATOM 163 CB ASP A 10 2.740 7.250 -5.314 1.00 0.00 C ATOM 164 CG ASP A 10 2.188 8.395 -4.487 1.00 0.00 C ATOM 165 OD1 ASP A 10 1.035 8.808 -4.733 1.00 0.00 O ATOM 166 OD2 ASP A 10 2.914 8.881 -3.595 1.00 0.00 O ATOM 0 H ASP A 10 2.246 5.008 -7.372 1.00 0.00 H new ATOM 0 HA ASP A 10 0.799 7.207 -6.245 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.912 6.390 -4.667 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.707 7.538 -5.726 1.00 0.00 H new ATOM 171 N ASP A 11 2.772 8.707 -7.678 1.00 0.00 N ATOM 172 CA ASP A 11 3.247 9.441 -8.848 1.00 0.00 C ATOM 173 C ASP A 11 4.505 8.819 -9.467 1.00 0.00 C ATOM 174 O ASP A 11 5.030 9.340 -10.451 1.00 0.00 O ATOM 175 CB ASP A 11 3.522 10.901 -8.479 1.00 0.00 C ATOM 176 CG ASP A 11 3.279 11.847 -9.638 1.00 0.00 C ATOM 177 OD1 ASP A 11 2.305 11.630 -10.389 1.00 0.00 O ATOM 178 OD2 ASP A 11 4.064 12.806 -9.796 1.00 0.00 O ATOM 0 H ASP A 11 2.857 9.220 -6.801 1.00 0.00 H new ATOM 0 HA ASP A 11 2.456 9.387 -9.596 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.886 11.187 -7.641 1.00 0.00 H new ATOM 0 HB3 ASP A 11 4.554 11.000 -8.144 1.00 0.00 H new ATOM 183 N ASP A 12 4.990 7.711 -8.905 1.00 0.00 N ATOM 184 CA ASP A 12 6.182 7.053 -9.437 1.00 0.00 C ATOM 185 C ASP A 12 7.421 7.941 -9.269 1.00 0.00 C ATOM 186 O ASP A 12 7.432 8.839 -8.428 1.00 0.00 O ATOM 187 CB ASP A 12 5.970 6.700 -10.918 1.00 0.00 C ATOM 188 CG ASP A 12 6.756 5.475 -11.354 1.00 0.00 C ATOM 189 OD1 ASP A 12 7.424 4.860 -10.497 1.00 0.00 O ATOM 190 OD2 ASP A 12 6.709 5.138 -12.556 1.00 0.00 O ATOM 0 H ASP A 12 4.580 7.255 -8.090 1.00 0.00 H new ATOM 0 HA ASP A 12 6.349 6.135 -8.874 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.909 6.527 -11.096 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.262 7.551 -11.534 1.00 0.00 H new ATOM 195 N SER A 13 8.453 7.683 -10.081 1.00 0.00 N ATOM 196 CA SER A 13 9.701 8.441 -10.055 1.00 0.00 C ATOM 197 C SER A 13 10.058 8.961 -8.658 1.00 0.00 C ATOM 198 O SER A 13 10.752 8.285 -7.899 1.00 0.00 O ATOM 199 CB SER A 13 9.619 9.575 -11.072 1.00 0.00 C ATOM 200 OG SER A 13 10.911 9.997 -11.476 1.00 0.00 O ATOM 0 H SER A 13 8.442 6.937 -10.777 1.00 0.00 H new ATOM 0 HA SER A 13 10.511 7.765 -10.327 1.00 0.00 H new ATOM 0 HB2 SER A 13 9.053 9.245 -11.943 1.00 0.00 H new ATOM 0 HB3 SER A 13 9.078 10.416 -10.639 1.00 0.00 H new ATOM 0 HG SER A 13 10.829 10.723 -12.129 1.00 0.00 H new ATOM 206 N SER A 14 9.594 10.159 -8.329 1.00 0.00 N ATOM 207 CA SER A 14 9.876 10.766 -7.030 1.00 0.00 C ATOM 208 C SER A 14 9.487 9.837 -5.883 1.00 0.00 C ATOM 209 O SER A 14 10.315 9.509 -5.032 1.00 0.00 O ATOM 210 CB SER A 14 9.136 12.096 -6.895 1.00 0.00 C ATOM 211 OG SER A 14 9.756 12.928 -5.930 1.00 0.00 O ATOM 0 H SER A 14 9.018 10.734 -8.945 1.00 0.00 H new ATOM 0 HA SER A 14 10.950 10.943 -6.973 1.00 0.00 H new ATOM 0 HB2 SER A 14 9.116 12.604 -7.859 1.00 0.00 H new ATOM 0 HB3 SER A 14 8.100 11.912 -6.610 1.00 0.00 H new ATOM 0 HG SER A 14 9.265 13.774 -5.863 1.00 0.00 H new ATOM 217 N ILE A 15 8.227 9.416 -5.862 1.00 0.00 N ATOM 218 CA ILE A 15 7.736 8.526 -4.816 1.00 0.00 C ATOM 219 C ILE A 15 8.400 7.154 -4.907 1.00 0.00 C ATOM 220 O ILE A 15 8.499 6.433 -3.916 1.00 0.00 O ATOM 221 CB ILE A 15 6.205 8.350 -4.881 1.00 0.00 C ATOM 222 CG1 ILE A 15 5.510 9.706 -5.020 1.00 0.00 C ATOM 223 CG2 ILE A 15 5.702 7.622 -3.644 1.00 0.00 C ATOM 224 CD1 ILE A 15 5.744 10.636 -3.849 1.00 0.00 C ATOM 0 H ILE A 15 7.527 9.677 -6.557 1.00 0.00 H new ATOM 0 HA ILE A 15 7.993 8.993 -3.865 1.00 0.00 H new ATOM 0 HB ILE A 15 5.966 7.751 -5.760 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.859 10.191 -5.932 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.438 9.544 -5.135 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.620 7.506 -3.705 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.170 6.639 -3.585 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.955 8.199 -2.754 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.220 11.576 -4.021 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.369 10.173 -2.936 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.812 10.829 -3.746 1.00 0.00 H new ATOM 236 N ARG A 16 8.857 6.805 -6.104 1.00 0.00 N ATOM 237 CA ARG A 16 9.517 5.523 -6.328 1.00 0.00 C ATOM 238 C ARG A 16 10.954 5.560 -5.825 1.00 0.00 C ATOM 239 O ARG A 16 11.421 4.622 -5.181 1.00 0.00 O ATOM 240 CB ARG A 16 9.511 5.168 -7.817 1.00 0.00 C ATOM 241 CG ARG A 16 9.968 3.743 -8.096 1.00 0.00 C ATOM 242 CD ARG A 16 11.233 3.714 -8.935 1.00 0.00 C ATOM 243 NE ARG A 16 10.934 3.775 -10.362 1.00 0.00 N ATOM 244 CZ ARG A 16 11.828 3.541 -11.318 1.00 0.00 C ATOM 245 NH1 ARG A 16 13.079 3.226 -11.008 1.00 0.00 N ATOM 246 NH2 ARG A 16 11.468 3.624 -12.591 1.00 0.00 N ATOM 0 H ARG A 16 8.783 7.392 -6.935 1.00 0.00 H new ATOM 0 HA ARG A 16 8.965 4.763 -5.774 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.504 5.304 -8.212 1.00 0.00 H new ATOM 0 HB3 ARG A 16 10.159 5.862 -8.352 1.00 0.00 H new ATOM 0 HG2 ARG A 16 10.145 3.226 -7.153 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.176 3.201 -8.613 1.00 0.00 H new ATOM 0 HD2 ARG A 16 11.871 4.554 -8.660 1.00 0.00 H new ATOM 0 HD3 ARG A 16 11.793 2.804 -8.719 1.00 0.00 H new ATOM 0 HE ARG A 16 9.982 4.011 -10.643 1.00 0.00 H new ATOM 0 HH11 ARG A 16 13.361 3.162 -10.030 1.00 0.00 H new ATOM 0 HH12 ARG A 16 13.758 3.048 -11.748 1.00 0.00 H new ATOM 0 HH21 ARG A 16 10.508 3.867 -12.835 1.00 0.00 H new ATOM 0 HH22 ARG A 16 12.151 3.445 -13.327 1.00 0.00 H new ATOM 260 N TRP A 17 11.657 6.644 -6.135 1.00 0.00 N ATOM 261 CA TRP A 17 13.048 6.790 -5.728 1.00 0.00 C ATOM 262 C TRP A 17 13.187 6.856 -4.209 1.00 0.00 C ATOM 263 O TRP A 17 14.125 6.296 -3.638 1.00 0.00 O ATOM 264 CB TRP A 17 13.666 8.040 -6.359 1.00 0.00 C ATOM 265 CG TRP A 17 15.131 8.155 -6.087 1.00 0.00 C ATOM 266 CD1 TRP A 17 16.139 7.541 -6.770 1.00 0.00 C ATOM 267 CD2 TRP A 17 15.751 8.919 -5.050 1.00 0.00 C ATOM 268 NE1 TRP A 17 17.352 7.874 -6.219 1.00 0.00 N ATOM 269 CE2 TRP A 17 17.140 8.721 -5.161 1.00 0.00 C ATOM 270 CE3 TRP A 17 15.269 9.753 -4.037 1.00 0.00 C ATOM 271 CZ2 TRP A 17 18.050 9.325 -4.299 1.00 0.00 C ATOM 272 CZ3 TRP A 17 16.172 10.353 -3.182 1.00 0.00 C ATOM 273 CH2 TRP A 17 17.549 10.136 -3.316 1.00 0.00 C ATOM 0 H TRP A 17 11.287 7.432 -6.666 1.00 0.00 H new ATOM 0 HA TRP A 17 13.582 5.908 -6.080 1.00 0.00 H new ATOM 0 HB2 TRP A 17 13.501 8.019 -7.436 1.00 0.00 H new ATOM 0 HB3 TRP A 17 13.158 8.925 -5.976 1.00 0.00 H new ATOM 0 HD1 TRP A 17 16.003 6.888 -7.620 1.00 0.00 H new ATOM 0 HE1 TRP A 17 18.262 7.545 -6.543 1.00 0.00 H new ATOM 0 HE3 TRP A 17 14.209 9.925 -3.925 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 19.112 9.160 -4.401 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 15.810 11.000 -2.397 1.00 0.00 H new ATOM 0 HH2 TRP A 17 18.230 10.618 -2.630 1.00 0.00 H new ATOM 284 N VAL A 18 12.264 7.555 -3.563 1.00 0.00 N ATOM 285 CA VAL A 18 12.301 7.709 -2.114 1.00 0.00 C ATOM 286 C VAL A 18 12.005 6.412 -1.377 1.00 0.00 C ATOM 287 O VAL A 18 12.653 6.095 -0.380 1.00 0.00 O ATOM 288 CB VAL A 18 11.308 8.779 -1.623 1.00 0.00 C ATOM 289 CG1 VAL A 18 11.610 9.151 -0.179 1.00 0.00 C ATOM 290 CG2 VAL A 18 11.350 10.007 -2.519 1.00 0.00 C ATOM 0 H VAL A 18 11.481 8.024 -4.018 1.00 0.00 H new ATOM 0 HA VAL A 18 13.321 8.020 -1.889 1.00 0.00 H new ATOM 0 HB VAL A 18 10.301 8.366 -1.671 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.902 9.908 0.157 1.00 0.00 H new ATOM 0 HG12 VAL A 18 11.521 8.266 0.451 1.00 0.00 H new ATOM 0 HG13 VAL A 18 12.624 9.546 -0.109 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.641 10.749 -2.153 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.355 10.430 -2.510 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.085 9.723 -3.538 1.00 0.00 H new ATOM 300 N LEU A 19 11.008 5.684 -1.847 1.00 0.00 N ATOM 301 CA LEU A 19 10.612 4.440 -1.202 1.00 0.00 C ATOM 302 C LEU A 19 11.447 3.248 -1.661 1.00 0.00 C ATOM 303 O LEU A 19 11.536 2.244 -0.953 1.00 0.00 O ATOM 304 CB LEU A 19 9.120 4.163 -1.419 1.00 0.00 C ATOM 305 CG LEU A 19 8.318 3.948 -0.132 1.00 0.00 C ATOM 306 CD1 LEU A 19 8.453 5.154 0.788 1.00 0.00 C ATOM 307 CD2 LEU A 19 6.853 3.678 -0.448 1.00 0.00 C ATOM 0 H LEU A 19 10.458 5.930 -2.670 1.00 0.00 H new ATOM 0 HA LEU A 19 10.798 4.569 -0.136 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.685 4.998 -1.968 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.016 3.279 -2.049 1.00 0.00 H new ATOM 0 HG LEU A 19 8.722 3.075 0.381 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.877 4.984 1.698 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.502 5.300 1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.077 6.042 0.281 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.302 3.528 0.481 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.434 4.529 -0.985 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.773 2.783 -1.066 1.00 0.00 H new ATOM 319 N GLU A 20 12.053 3.345 -2.836 1.00 0.00 N ATOM 320 CA GLU A 20 12.865 2.248 -3.342 1.00 0.00 C ATOM 321 C GLU A 20 14.118 2.062 -2.502 1.00 0.00 C ATOM 322 O GLU A 20 14.369 0.982 -1.967 1.00 0.00 O ATOM 323 CB GLU A 20 13.227 2.446 -4.819 1.00 0.00 C ATOM 324 CG GLU A 20 14.178 3.594 -5.108 1.00 0.00 C ATOM 325 CD GLU A 20 14.452 3.756 -6.592 1.00 0.00 C ATOM 326 OE1 GLU A 20 13.497 3.644 -7.389 1.00 0.00 O ATOM 327 OE2 GLU A 20 15.622 4.000 -6.956 1.00 0.00 O ATOM 0 H GLU A 20 12.000 4.159 -3.449 1.00 0.00 H new ATOM 0 HA GLU A 20 12.265 1.341 -3.267 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.673 1.524 -5.193 1.00 0.00 H new ATOM 0 HB3 GLU A 20 12.308 2.607 -5.382 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.757 4.519 -4.716 1.00 0.00 H new ATOM 0 HG3 GLU A 20 15.118 3.425 -4.584 1.00 0.00 H new ATOM 334 N ARG A 21 14.901 3.120 -2.399 1.00 0.00 N ATOM 335 CA ARG A 21 16.140 3.080 -1.629 1.00 0.00 C ATOM 336 C ARG A 21 15.874 2.820 -0.152 1.00 0.00 C ATOM 337 O ARG A 21 16.492 1.942 0.451 1.00 0.00 O ATOM 338 CB ARG A 21 16.917 4.386 -1.798 1.00 0.00 C ATOM 339 CG ARG A 21 17.434 4.598 -3.212 1.00 0.00 C ATOM 340 CD ARG A 21 18.950 4.524 -3.271 1.00 0.00 C ATOM 341 NE ARG A 21 19.433 4.313 -4.633 1.00 0.00 N ATOM 342 CZ ARG A 21 20.621 3.794 -4.929 1.00 0.00 C ATOM 343 NH1 ARG A 21 21.452 3.427 -3.960 1.00 0.00 N ATOM 344 NH2 ARG A 21 20.979 3.640 -6.197 1.00 0.00 N ATOM 0 H ARG A 21 14.705 4.020 -2.837 1.00 0.00 H new ATOM 0 HA ARG A 21 16.739 2.254 -2.014 1.00 0.00 H new ATOM 0 HB2 ARG A 21 16.273 5.222 -1.525 1.00 0.00 H new ATOM 0 HB3 ARG A 21 17.759 4.392 -1.106 1.00 0.00 H new ATOM 0 HG2 ARG A 21 17.007 3.844 -3.873 1.00 0.00 H new ATOM 0 HG3 ARG A 21 17.102 5.569 -3.579 1.00 0.00 H new ATOM 0 HD2 ARG A 21 19.374 5.446 -2.874 1.00 0.00 H new ATOM 0 HD3 ARG A 21 19.299 3.712 -2.632 1.00 0.00 H new ATOM 0 HE ARG A 21 18.822 4.580 -5.405 1.00 0.00 H new ATOM 0 HH11 ARG A 21 21.180 3.543 -2.984 1.00 0.00 H new ATOM 0 HH12 ARG A 21 22.362 3.029 -4.192 1.00 0.00 H new ATOM 0 HH21 ARG A 21 20.343 3.920 -6.944 1.00 0.00 H new ATOM 0 HH22 ARG A 21 21.890 3.242 -6.425 1.00 0.00 H new ATOM 358 N ALA A 22 14.957 3.584 0.430 1.00 0.00 N ATOM 359 CA ALA A 22 14.621 3.428 1.842 1.00 0.00 C ATOM 360 C ALA A 22 14.232 1.996 2.157 1.00 0.00 C ATOM 361 O ALA A 22 14.822 1.352 3.024 1.00 0.00 O ATOM 362 CB ALA A 22 13.501 4.381 2.232 1.00 0.00 C ATOM 0 H ALA A 22 14.434 4.316 -0.051 1.00 0.00 H new ATOM 0 HA ALA A 22 15.507 3.673 2.427 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.264 4.251 3.288 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.820 5.408 2.056 1.00 0.00 H new ATOM 0 HB3 ALA A 22 12.616 4.167 1.632 1.00 0.00 H new ATOM 368 N LEU A 23 13.239 1.510 1.441 1.00 0.00 N ATOM 369 CA LEU A 23 12.756 0.149 1.626 1.00 0.00 C ATOM 370 C LEU A 23 13.824 -0.857 1.218 1.00 0.00 C ATOM 371 O LEU A 23 13.893 -1.974 1.749 1.00 0.00 O ATOM 372 CB LEU A 23 11.478 -0.072 0.818 1.00 0.00 C ATOM 373 CG LEU A 23 10.658 -1.302 1.209 1.00 0.00 C ATOM 374 CD1 LEU A 23 11.170 -2.531 0.479 1.00 0.00 C ATOM 375 CD2 LEU A 23 10.680 -1.521 2.715 1.00 0.00 C ATOM 0 H LEU A 23 12.746 2.037 0.721 1.00 0.00 H new ATOM 0 HA LEU A 23 12.531 0.001 2.682 1.00 0.00 H new ATOM 0 HB2 LEU A 23 10.847 0.811 0.919 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.744 -0.154 -0.236 1.00 0.00 H new ATOM 0 HG LEU A 23 9.623 -1.128 0.914 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.577 -3.399 0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 23 11.087 -2.376 -0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.214 -2.702 0.742 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.089 -2.402 2.963 1.00 0.00 H new ATOM 0 HD22 LEU A 23 11.708 -1.669 3.046 1.00 0.00 H new ATOM 0 HD23 LEU A 23 10.259 -0.649 3.216 1.00 0.00 H new ATOM 387 N ALA A 24 14.676 -0.452 0.290 1.00 0.00 N ATOM 388 CA ALA A 24 15.752 -1.309 -0.155 1.00 0.00 C ATOM 389 C ALA A 24 16.737 -1.496 0.987 1.00 0.00 C ATOM 390 O ALA A 24 17.316 -2.571 1.154 1.00 0.00 O ATOM 391 CB ALA A 24 16.440 -0.732 -1.382 1.00 0.00 C ATOM 0 H ALA A 24 14.640 0.460 -0.165 1.00 0.00 H new ATOM 0 HA ALA A 24 15.345 -2.278 -0.443 1.00 0.00 H new ATOM 0 HB1 ALA A 24 17.245 -1.397 -1.694 1.00 0.00 H new ATOM 0 HB2 ALA A 24 15.717 -0.632 -2.191 1.00 0.00 H new ATOM 0 HB3 ALA A 24 16.852 0.248 -1.141 1.00 0.00 H new ATOM 397 N GLY A 25 16.898 -0.446 1.793 1.00 0.00 N ATOM 398 CA GLY A 25 17.788 -0.527 2.932 1.00 0.00 C ATOM 399 C GLY A 25 17.340 -1.597 3.908 1.00 0.00 C ATOM 400 O GLY A 25 18.154 -2.166 4.635 1.00 0.00 O ATOM 0 H GLY A 25 16.429 0.452 1.675 1.00 0.00 H new ATOM 0 HA2 GLY A 25 18.800 -0.744 2.590 1.00 0.00 H new ATOM 0 HA3 GLY A 25 17.823 0.438 3.438 1.00 0.00 H new ATOM 404 N ALA A 26 16.040 -1.877 3.911 1.00 0.00 N ATOM 405 CA ALA A 26 15.479 -2.892 4.789 1.00 0.00 C ATOM 406 C ALA A 26 15.769 -4.292 4.258 1.00 0.00 C ATOM 407 O ALA A 26 15.656 -5.279 4.986 1.00 0.00 O ATOM 408 CB ALA A 26 13.980 -2.690 4.943 1.00 0.00 C ATOM 0 H ALA A 26 15.356 -1.413 3.313 1.00 0.00 H new ATOM 0 HA ALA A 26 15.950 -2.792 5.767 1.00 0.00 H new ATOM 0 HB1 ALA A 26 13.575 -3.457 5.603 1.00 0.00 H new ATOM 0 HB2 ALA A 26 13.787 -1.706 5.370 1.00 0.00 H new ATOM 0 HB3 ALA A 26 13.501 -2.762 3.967 1.00 0.00 H new ATOM 414 N GLY A 27 16.162 -4.370 2.989 1.00 0.00 N ATOM 415 CA GLY A 27 16.478 -5.649 2.388 1.00 0.00 C ATOM 416 C GLY A 27 15.341 -6.232 1.565 1.00 0.00 C ATOM 417 O GLY A 27 15.269 -7.448 1.393 1.00 0.00 O ATOM 0 H GLY A 27 16.266 -3.568 2.368 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.355 -5.535 1.751 1.00 0.00 H new ATOM 0 HA3 GLY A 27 16.745 -6.355 3.175 1.00 0.00 H new ATOM 421 N LEU A 28 14.451 -5.384 1.046 1.00 0.00 N ATOM 422 CA LEU A 28 13.342 -5.880 0.242 1.00 0.00 C ATOM 423 C LEU A 28 13.213 -5.115 -1.072 1.00 0.00 C ATOM 424 O LEU A 28 13.897 -4.116 -1.291 1.00 0.00 O ATOM 425 CB LEU A 28 12.030 -5.836 1.029 1.00 0.00 C ATOM 426 CG LEU A 28 12.192 -5.804 2.546 1.00 0.00 C ATOM 427 CD1 LEU A 28 12.249 -4.370 3.029 1.00 0.00 C ATOM 428 CD2 LEU A 28 11.071 -6.575 3.226 1.00 0.00 C ATOM 0 H LEU A 28 14.477 -4.371 1.166 1.00 0.00 H new ATOM 0 HA LEU A 28 13.558 -6.920 -0.003 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.467 -4.955 0.720 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.433 -6.707 0.760 1.00 0.00 H new ATOM 0 HG LEU A 28 13.130 -6.292 2.812 1.00 0.00 H new ATOM 0 HD11 LEU A 28 12.365 -4.355 4.113 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.096 -3.864 2.567 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.327 -3.857 2.756 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.208 -6.538 4.307 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.112 -6.127 2.966 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.089 -7.613 2.893 1.00 0.00 H new ATOM 440 N THR A 29 12.340 -5.604 -1.951 1.00 0.00 N ATOM 441 CA THR A 29 12.131 -4.976 -3.254 1.00 0.00 C ATOM 442 C THR A 29 10.961 -3.998 -3.213 1.00 0.00 C ATOM 443 O THR A 29 9.878 -4.333 -2.737 1.00 0.00 O ATOM 444 CB THR A 29 11.874 -6.050 -4.314 1.00 0.00 C ATOM 445 OG1 THR A 29 13.037 -6.831 -4.537 1.00 0.00 O ATOM 446 CG2 THR A 29 11.437 -5.485 -5.647 1.00 0.00 C ATOM 0 H THR A 29 11.767 -6.431 -1.785 1.00 0.00 H new ATOM 0 HA THR A 29 13.032 -4.418 -3.511 1.00 0.00 H new ATOM 0 HB THR A 29 11.064 -6.658 -3.913 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.849 -7.512 -5.217 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.272 -6.300 -6.351 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.511 -4.924 -5.519 1.00 0.00 H new ATOM 0 HG23 THR A 29 12.212 -4.823 -6.033 1.00 0.00 H new ATOM 454 N CYS A 30 11.186 -2.786 -3.719 1.00 0.00 N ATOM 455 CA CYS A 30 10.147 -1.760 -3.739 1.00 0.00 C ATOM 456 C CYS A 30 9.892 -1.241 -5.145 1.00 0.00 C ATOM 457 O CYS A 30 10.755 -0.617 -5.762 1.00 0.00 O ATOM 458 CB CYS A 30 10.526 -0.605 -2.814 1.00 0.00 C ATOM 459 SG CYS A 30 9.236 0.650 -2.631 1.00 0.00 S ATOM 0 H CYS A 30 12.077 -2.492 -4.119 1.00 0.00 H new ATOM 0 HA CYS A 30 9.225 -2.220 -3.383 1.00 0.00 H new ATOM 0 HB2 CYS A 30 10.769 -1.007 -1.830 1.00 0.00 H new ATOM 0 HB3 CYS A 30 11.429 -0.129 -3.196 1.00 0.00 H new ATOM 0 HG CYS A 30 9.322 1.192 -1.453 1.00 0.00 H new ATOM 465 N THR A 31 8.680 -1.492 -5.626 1.00 0.00 N ATOM 466 CA THR A 31 8.252 -1.048 -6.944 1.00 0.00 C ATOM 467 C THR A 31 7.082 -0.081 -6.776 1.00 0.00 C ATOM 468 O THR A 31 6.388 -0.124 -5.760 1.00 0.00 O ATOM 469 CB THR A 31 7.821 -2.244 -7.802 1.00 0.00 C ATOM 470 OG1 THR A 31 7.862 -1.920 -9.181 1.00 0.00 O ATOM 471 CG2 THR A 31 6.419 -2.706 -7.495 1.00 0.00 C ATOM 0 H THR A 31 7.967 -2.009 -5.112 1.00 0.00 H new ATOM 0 HA THR A 31 9.081 -0.550 -7.447 1.00 0.00 H new ATOM 0 HB THR A 31 8.525 -3.041 -7.563 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.585 -2.698 -9.708 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.168 -3.554 -8.132 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.356 -3.006 -6.449 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.719 -1.892 -7.682 1.00 0.00 H new ATOM 479 N THR A 32 6.855 0.783 -7.753 1.00 0.00 N ATOM 480 CA THR A 32 5.759 1.737 -7.664 1.00 0.00 C ATOM 481 C THR A 32 4.929 1.779 -8.947 1.00 0.00 C ATOM 482 O THR A 32 5.430 1.510 -10.038 1.00 0.00 O ATOM 483 CB THR A 32 6.305 3.119 -7.329 1.00 0.00 C ATOM 484 OG1 THR A 32 7.110 3.606 -8.386 1.00 0.00 O ATOM 485 CG2 THR A 32 7.143 3.127 -6.069 1.00 0.00 C ATOM 0 H THR A 32 7.408 0.844 -8.608 1.00 0.00 H new ATOM 0 HA THR A 32 5.093 1.409 -6.866 1.00 0.00 H new ATOM 0 HB THR A 32 5.433 3.755 -7.176 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.539 4.005 -9.075 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.505 4.137 -5.879 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.536 2.795 -5.226 1.00 0.00 H new ATOM 0 HG23 THR A 32 7.992 2.454 -6.192 1.00 0.00 H new ATOM 493 N PHE A 33 3.652 2.116 -8.792 1.00 0.00 N ATOM 494 CA PHE A 33 2.715 2.200 -9.909 1.00 0.00 C ATOM 495 C PHE A 33 2.050 3.571 -9.937 1.00 0.00 C ATOM 496 O PHE A 33 2.273 4.395 -9.052 1.00 0.00 O ATOM 497 CB PHE A 33 1.645 1.112 -9.832 1.00 0.00 C ATOM 498 CG PHE A 33 2.193 -0.281 -9.704 1.00 0.00 C ATOM 499 CD1 PHE A 33 2.922 -0.635 -8.587 1.00 0.00 C ATOM 500 CD2 PHE A 33 1.979 -1.234 -10.688 1.00 0.00 C ATOM 501 CE1 PHE A 33 3.433 -1.908 -8.448 1.00 0.00 C ATOM 502 CE2 PHE A 33 2.486 -2.512 -10.557 1.00 0.00 C ATOM 503 CZ PHE A 33 3.214 -2.850 -9.438 1.00 0.00 C ATOM 0 H PHE A 33 3.237 2.339 -7.887 1.00 0.00 H new ATOM 0 HA PHE A 33 3.285 2.050 -10.826 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.996 1.315 -8.980 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.023 1.165 -10.726 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.095 0.096 -7.811 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.409 -0.974 -11.568 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.003 -2.169 -7.569 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.312 -3.245 -11.331 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.613 -3.848 -9.333 1.00 0.00 H new ATOM 513 N GLU A 34 1.260 3.819 -10.972 1.00 0.00 N ATOM 514 CA GLU A 34 0.589 5.097 -11.134 1.00 0.00 C ATOM 515 C GLU A 34 -0.383 5.394 -9.976 1.00 0.00 C ATOM 516 O GLU A 34 0.048 5.712 -8.868 1.00 0.00 O ATOM 517 CB GLU A 34 -0.151 5.095 -12.477 1.00 0.00 C ATOM 518 CG GLU A 34 -0.982 3.837 -12.709 1.00 0.00 C ATOM 519 CD GLU A 34 -2.437 4.119 -13.032 1.00 0.00 C ATOM 520 OE1 GLU A 34 -2.718 5.156 -13.669 1.00 0.00 O ATOM 521 OE2 GLU A 34 -3.298 3.300 -12.633 1.00 0.00 O ATOM 0 H GLU A 34 1.069 3.147 -11.715 1.00 0.00 H new ATOM 0 HA GLU A 34 1.338 5.889 -11.119 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.804 5.967 -12.525 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.575 5.196 -13.284 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.541 3.267 -13.527 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.931 3.209 -11.819 1.00 0.00 H new ATOM 528 N ASN A 35 -1.685 5.315 -10.240 1.00 0.00 N ATOM 529 CA ASN A 35 -2.701 5.603 -9.238 1.00 0.00 C ATOM 530 C ASN A 35 -2.927 4.429 -8.302 1.00 0.00 C ATOM 531 O ASN A 35 -2.589 4.486 -7.119 1.00 0.00 O ATOM 532 CB ASN A 35 -4.016 5.973 -9.924 1.00 0.00 C ATOM 533 CG ASN A 35 -4.353 7.446 -9.788 1.00 0.00 C ATOM 534 OD1 ASN A 35 -5.478 7.804 -9.441 1.00 0.00 O ATOM 535 ND2 ASN A 35 -3.379 8.307 -10.060 1.00 0.00 N ATOM 0 H ASN A 35 -2.061 5.051 -11.150 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.343 6.441 -8.640 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.955 5.715 -10.981 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -4.824 5.379 -9.497 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.549 9.310 -9.984 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.461 7.965 -10.344 1.00 0.00 H new ATOM 542 N GLY A 36 -3.516 3.377 -8.838 1.00 0.00 N ATOM 543 CA GLY A 36 -3.799 2.206 -8.036 1.00 0.00 C ATOM 544 C GLY A 36 -4.193 0.993 -8.854 1.00 0.00 C ATOM 545 O GLY A 36 -3.837 -0.133 -8.508 1.00 0.00 O ATOM 0 H GLY A 36 -3.804 3.310 -9.814 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.919 1.962 -7.440 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.602 2.440 -7.337 1.00 0.00 H new ATOM 549 N ASN A 37 -4.933 1.210 -9.938 1.00 0.00 N ATOM 550 CA ASN A 37 -5.363 0.102 -10.780 1.00 0.00 C ATOM 551 C ASN A 37 -4.163 -0.616 -11.372 1.00 0.00 C ATOM 552 O ASN A 37 -4.208 -1.822 -11.616 1.00 0.00 O ATOM 553 CB ASN A 37 -6.300 0.583 -11.886 1.00 0.00 C ATOM 554 CG ASN A 37 -7.714 0.797 -11.379 1.00 0.00 C ATOM 555 OD1 ASN A 37 -8.292 -0.236 -10.766 1.00 0.00 O flip ATOM 556 ND2 ASN A 37 -8.280 1.879 -11.531 1.00 0.00 N flip ATOM 0 H ASN A 37 -5.243 2.130 -10.250 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.913 -0.601 -10.155 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.920 1.515 -12.304 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -6.311 -0.148 -12.695 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.800 2.643 -12.006 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.229 2.012 -11.182 1.00 0.00 H new ATOM 563 N GLU A 38 -3.081 0.124 -11.587 1.00 0.00 N ATOM 564 CA GLU A 38 -1.868 -0.462 -12.135 1.00 0.00 C ATOM 565 C GLU A 38 -1.430 -1.666 -11.305 1.00 0.00 C ATOM 566 O GLU A 38 -1.295 -2.768 -11.836 1.00 0.00 O ATOM 567 CB GLU A 38 -0.747 0.568 -12.182 1.00 0.00 C ATOM 568 CG GLU A 38 -0.006 0.612 -13.512 1.00 0.00 C ATOM 569 CD GLU A 38 1.493 0.431 -13.359 1.00 0.00 C ATOM 570 OE1 GLU A 38 2.119 1.238 -12.639 1.00 0.00 O ATOM 571 OE2 GLU A 38 2.039 -0.522 -13.952 1.00 0.00 O ATOM 0 H GLU A 38 -3.021 1.123 -11.391 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.084 -0.794 -13.151 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.164 1.554 -11.976 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.034 0.351 -11.387 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.396 -0.168 -14.166 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.204 1.566 -14.001 1.00 0.00 H new ATOM 578 N VAL A 39 -1.213 -1.466 -9.996 1.00 0.00 N ATOM 579 CA VAL A 39 -0.797 -2.575 -9.138 1.00 0.00 C ATOM 580 C VAL A 39 -1.739 -3.761 -9.307 1.00 0.00 C ATOM 581 O VAL A 39 -1.300 -4.901 -9.455 1.00 0.00 O ATOM 582 CB VAL A 39 -0.758 -2.200 -7.641 1.00 0.00 C ATOM 583 CG1 VAL A 39 0.092 -3.198 -6.876 1.00 0.00 C ATOM 584 CG2 VAL A 39 -0.237 -0.788 -7.428 1.00 0.00 C ATOM 0 H VAL A 39 -1.316 -0.569 -9.522 1.00 0.00 H new ATOM 0 HA VAL A 39 0.215 -2.832 -9.452 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.779 -2.233 -7.262 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.113 -2.925 -5.821 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.333 -4.196 -6.984 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.107 -3.191 -7.273 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.225 -0.562 -6.362 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.774 -0.709 -7.827 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.886 -0.079 -7.942 1.00 0.00 H new ATOM 594 N LEU A 40 -3.037 -3.480 -9.277 1.00 0.00 N ATOM 595 CA LEU A 40 -4.051 -4.520 -9.422 1.00 0.00 C ATOM 596 C LEU A 40 -3.840 -5.314 -10.707 1.00 0.00 C ATOM 597 O LEU A 40 -3.946 -6.540 -10.720 1.00 0.00 O ATOM 598 CB LEU A 40 -5.452 -3.903 -9.411 1.00 0.00 C ATOM 599 CG LEU A 40 -5.699 -2.869 -8.307 1.00 0.00 C ATOM 600 CD1 LEU A 40 -7.105 -2.297 -8.401 1.00 0.00 C ATOM 601 CD2 LEU A 40 -5.474 -3.494 -6.940 1.00 0.00 C ATOM 0 H LEU A 40 -3.413 -2.540 -9.153 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.957 -5.203 -8.577 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.631 -3.430 -10.377 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.184 -4.704 -9.307 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.991 -2.052 -8.442 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.254 -1.566 -7.606 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.237 -1.813 -9.369 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.833 -3.101 -8.295 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.653 -2.748 -6.165 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.160 -4.330 -6.805 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.447 -3.853 -6.868 1.00 0.00 H new ATOM 613 N ALA A 41 -3.539 -4.605 -11.789 1.00 0.00 N ATOM 614 CA ALA A 41 -3.312 -5.241 -13.079 1.00 0.00 C ATOM 615 C ALA A 41 -2.099 -6.159 -13.035 1.00 0.00 C ATOM 616 O ALA A 41 -2.160 -7.315 -13.452 1.00 0.00 O ATOM 617 CB ALA A 41 -3.140 -4.185 -14.158 1.00 0.00 C ATOM 0 H ALA A 41 -3.447 -3.589 -11.797 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.183 -5.852 -13.316 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.971 -4.671 -15.119 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.040 -3.573 -14.215 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.286 -3.553 -13.916 1.00 0.00 H new ATOM 623 N ALA A 42 -1.000 -5.628 -12.523 1.00 0.00 N ATOM 624 CA ALA A 42 0.243 -6.381 -12.409 1.00 0.00 C ATOM 625 C ALA A 42 0.132 -7.462 -11.341 1.00 0.00 C ATOM 626 O ALA A 42 0.823 -8.479 -11.396 1.00 0.00 O ATOM 627 CB ALA A 42 1.407 -5.444 -12.100 1.00 0.00 C ATOM 0 H ALA A 42 -0.942 -4.670 -12.177 1.00 0.00 H new ATOM 0 HA ALA A 42 0.432 -6.869 -13.365 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.327 -6.022 -12.018 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.508 -4.713 -12.902 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.218 -4.927 -11.159 1.00 0.00 H new ATOM 633 N LEU A 43 -0.742 -7.232 -10.370 1.00 0.00 N ATOM 634 CA LEU A 43 -0.947 -8.179 -9.286 1.00 0.00 C ATOM 635 C LEU A 43 -1.505 -9.498 -9.798 1.00 0.00 C ATOM 636 O LEU A 43 -1.386 -10.533 -9.141 1.00 0.00 O ATOM 637 CB LEU A 43 -1.889 -7.587 -8.246 1.00 0.00 C ATOM 638 CG LEU A 43 -1.208 -6.740 -7.180 1.00 0.00 C ATOM 639 CD1 LEU A 43 -2.178 -5.720 -6.627 1.00 0.00 C ATOM 640 CD2 LEU A 43 -0.677 -7.624 -6.068 1.00 0.00 C ATOM 0 H LEU A 43 -1.321 -6.394 -10.312 1.00 0.00 H new ATOM 0 HA LEU A 43 0.022 -8.377 -8.828 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.633 -6.975 -8.756 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.425 -8.400 -7.757 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.369 -6.212 -7.633 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.680 -5.120 -5.865 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.522 -5.071 -7.432 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.032 -6.233 -6.184 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.192 -7.006 -5.312 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.502 -8.173 -5.614 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.046 -8.330 -6.478 1.00 0.00 H new ATOM 652 N ALA A 44 -2.113 -9.459 -10.974 1.00 0.00 N ATOM 653 CA ALA A 44 -2.683 -10.655 -11.571 1.00 0.00 C ATOM 654 C ALA A 44 -1.613 -11.724 -11.791 1.00 0.00 C ATOM 655 O ALA A 44 -1.930 -12.895 -11.996 1.00 0.00 O ATOM 656 CB ALA A 44 -3.369 -10.313 -12.887 1.00 0.00 C ATOM 0 H ALA A 44 -2.224 -8.613 -11.532 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.425 -11.057 -10.881 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.791 -11.218 -13.323 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.166 -9.592 -12.705 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.641 -9.884 -13.576 1.00 0.00 H new ATOM 662 N SER A 45 -0.346 -11.313 -11.752 1.00 0.00 N ATOM 663 CA SER A 45 0.759 -12.235 -11.954 1.00 0.00 C ATOM 664 C SER A 45 1.714 -12.262 -10.758 1.00 0.00 C ATOM 665 O SER A 45 2.715 -12.979 -10.780 1.00 0.00 O ATOM 666 CB SER A 45 1.528 -11.862 -13.223 1.00 0.00 C ATOM 667 OG SER A 45 1.015 -12.549 -14.350 1.00 0.00 O ATOM 0 H SER A 45 -0.065 -10.347 -11.582 1.00 0.00 H new ATOM 0 HA SER A 45 0.334 -13.233 -12.059 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.463 -10.787 -13.388 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.584 -12.102 -13.096 1.00 0.00 H new ATOM 0 HG SER A 45 1.522 -12.292 -15.148 1.00 0.00 H new ATOM 673 N LYS A 46 1.410 -11.490 -9.717 1.00 0.00 N ATOM 674 CA LYS A 46 2.257 -11.453 -8.530 1.00 0.00 C ATOM 675 C LYS A 46 1.545 -10.786 -7.361 1.00 0.00 C ATOM 676 O LYS A 46 0.586 -10.038 -7.549 1.00 0.00 O ATOM 677 CB LYS A 46 3.564 -10.714 -8.823 1.00 0.00 C ATOM 678 CG LYS A 46 4.782 -11.381 -8.207 1.00 0.00 C ATOM 679 CD LYS A 46 5.685 -10.372 -7.513 1.00 0.00 C ATOM 680 CE LYS A 46 7.151 -10.703 -7.729 1.00 0.00 C ATOM 681 NZ LYS A 46 8.045 -9.610 -7.257 1.00 0.00 N ATOM 0 H LYS A 46 0.589 -10.886 -9.672 1.00 0.00 H new ATOM 0 HA LYS A 46 2.480 -12.484 -8.257 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.702 -10.647 -9.902 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.488 -9.693 -8.448 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.460 -12.135 -7.489 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.345 -11.900 -8.983 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.476 -9.372 -7.893 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.466 -10.359 -6.445 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.396 -11.625 -7.202 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.329 -10.885 -8.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.934 -9.632 -7.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.576 -8.692 -7.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.250 -9.741 -6.246 1.00 0.00 H new ATOM 695 N THR A 47 2.025 -11.058 -6.151 1.00 0.00 N ATOM 696 CA THR A 47 1.440 -10.477 -4.958 1.00 0.00 C ATOM 697 C THR A 47 2.518 -10.037 -3.964 1.00 0.00 C ATOM 698 O THR A 47 3.203 -10.871 -3.373 1.00 0.00 O ATOM 699 CB THR A 47 0.495 -11.483 -4.290 1.00 0.00 C ATOM 700 OG1 THR A 47 -0.584 -11.818 -5.149 1.00 0.00 O ATOM 701 CG2 THR A 47 -0.099 -10.978 -2.991 1.00 0.00 C ATOM 0 H THR A 47 2.817 -11.677 -5.976 1.00 0.00 H new ATOM 0 HA THR A 47 0.876 -9.594 -5.259 1.00 0.00 H new ATOM 0 HB THR A 47 1.115 -12.354 -4.078 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.171 -12.462 -4.701 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.757 -11.739 -2.572 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.702 -10.762 -2.284 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.670 -10.069 -3.181 1.00 0.00 H new ATOM 709 N PRO A 48 2.671 -8.716 -3.753 1.00 0.00 N ATOM 710 CA PRO A 48 3.655 -8.173 -2.810 1.00 0.00 C ATOM 711 C PRO A 48 3.301 -8.506 -1.364 1.00 0.00 C ATOM 712 O PRO A 48 2.132 -8.718 -1.037 1.00 0.00 O ATOM 713 CB PRO A 48 3.574 -6.662 -3.042 1.00 0.00 C ATOM 714 CG PRO A 48 2.205 -6.441 -3.577 1.00 0.00 C ATOM 715 CD PRO A 48 1.900 -7.647 -4.411 1.00 0.00 C ATOM 0 HA PRO A 48 4.650 -8.588 -2.970 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.732 -6.109 -2.116 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.335 -6.327 -3.747 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.482 -6.330 -2.769 1.00 0.00 H new ATOM 0 HG3 PRO A 48 2.159 -5.530 -4.174 1.00 0.00 H new ATOM 0 HD2 PRO A 48 0.833 -7.869 -4.423 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.208 -7.508 -5.447 1.00 0.00 H new ATOM 723 N ASP A 49 4.309 -8.554 -0.503 1.00 0.00 N ATOM 724 CA ASP A 49 4.092 -8.865 0.906 1.00 0.00 C ATOM 725 C ASP A 49 3.474 -7.684 1.650 1.00 0.00 C ATOM 726 O ASP A 49 2.811 -7.863 2.672 1.00 0.00 O ATOM 727 CB ASP A 49 5.413 -9.253 1.572 1.00 0.00 C ATOM 728 CG ASP A 49 6.008 -10.521 0.993 1.00 0.00 C ATOM 729 OD1 ASP A 49 5.252 -11.495 0.795 1.00 0.00 O ATOM 730 OD2 ASP A 49 7.232 -10.540 0.743 1.00 0.00 O ATOM 0 H ASP A 49 5.283 -8.382 -0.753 1.00 0.00 H new ATOM 0 HA ASP A 49 3.397 -9.703 0.955 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.126 -8.437 1.458 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.251 -9.388 2.641 1.00 0.00 H new ATOM 735 N VAL A 50 3.712 -6.476 1.149 1.00 0.00 N ATOM 736 CA VAL A 50 3.196 -5.273 1.783 1.00 0.00 C ATOM 737 C VAL A 50 2.850 -4.205 0.745 1.00 0.00 C ATOM 738 O VAL A 50 3.733 -3.524 0.229 1.00 0.00 O ATOM 739 CB VAL A 50 4.237 -4.711 2.767 1.00 0.00 C ATOM 740 CG1 VAL A 50 5.540 -4.416 2.039 1.00 0.00 C ATOM 741 CG2 VAL A 50 3.709 -3.472 3.470 1.00 0.00 C ATOM 0 H VAL A 50 4.260 -6.307 0.305 1.00 0.00 H new ATOM 0 HA VAL A 50 2.286 -5.540 2.320 1.00 0.00 H new ATOM 0 HB VAL A 50 4.433 -5.463 3.532 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.269 -4.019 2.745 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.926 -5.335 1.597 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.360 -3.683 1.253 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.464 -3.095 4.160 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.478 -2.705 2.731 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.806 -3.726 4.025 1.00 0.00 H new ATOM 751 N LEU A 51 1.565 -4.063 0.439 1.00 0.00 N ATOM 752 CA LEU A 51 1.129 -3.075 -0.543 1.00 0.00 C ATOM 753 C LEU A 51 0.897 -1.709 0.104 1.00 0.00 C ATOM 754 O LEU A 51 0.324 -1.611 1.184 1.00 0.00 O ATOM 755 CB LEU A 51 -0.146 -3.553 -1.252 1.00 0.00 C ATOM 756 CG LEU A 51 -0.544 -2.756 -2.498 1.00 0.00 C ATOM 757 CD1 LEU A 51 0.604 -2.705 -3.498 1.00 0.00 C ATOM 758 CD2 LEU A 51 -1.787 -3.361 -3.143 1.00 0.00 C ATOM 0 H LEU A 51 0.812 -4.614 0.852 1.00 0.00 H new ATOM 0 HA LEU A 51 1.924 -2.965 -1.280 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.013 -4.597 -1.536 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.971 -3.519 -0.541 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.773 -1.736 -2.191 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.298 -2.134 -4.375 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.468 -2.226 -3.036 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.869 -3.718 -3.800 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.056 -2.783 -4.027 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.582 -4.392 -3.432 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.612 -3.341 -2.431 1.00 0.00 H new ATOM 770 N LEU A 52 1.354 -0.658 -0.569 1.00 0.00 N ATOM 771 CA LEU A 52 1.207 0.709 -0.076 1.00 0.00 C ATOM 772 C LEU A 52 0.553 1.585 -1.142 1.00 0.00 C ATOM 773 O LEU A 52 1.015 1.625 -2.282 1.00 0.00 O ATOM 774 CB LEU A 52 2.581 1.279 0.302 1.00 0.00 C ATOM 775 CG LEU A 52 2.584 2.376 1.376 1.00 0.00 C ATOM 776 CD1 LEU A 52 4.004 2.849 1.647 1.00 0.00 C ATOM 777 CD2 LEU A 52 1.707 3.553 0.962 1.00 0.00 C ATOM 0 H LEU A 52 1.834 -0.728 -1.466 1.00 0.00 H new ATOM 0 HA LEU A 52 0.571 0.699 0.809 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.210 0.458 0.648 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.046 1.679 -0.599 1.00 0.00 H new ATOM 0 HG LEU A 52 2.172 1.951 2.291 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.989 3.627 2.411 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.607 2.010 1.995 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.435 3.250 0.730 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.728 4.314 1.742 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.083 3.977 0.031 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.682 3.210 0.817 1.00 0.00 H new ATOM 789 N SER A 53 -0.519 2.286 -0.776 1.00 0.00 N ATOM 790 CA SER A 53 -1.216 3.155 -1.723 1.00 0.00 C ATOM 791 C SER A 53 -1.354 4.575 -1.181 1.00 0.00 C ATOM 792 O SER A 53 -1.797 4.790 -0.049 1.00 0.00 O ATOM 793 CB SER A 53 -2.593 2.582 -2.070 1.00 0.00 C ATOM 794 OG SER A 53 -2.628 2.148 -3.419 1.00 0.00 O ATOM 0 H SER A 53 -0.921 2.270 0.161 1.00 0.00 H new ATOM 0 HA SER A 53 -0.616 3.200 -2.632 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.823 1.747 -1.408 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.360 3.339 -1.906 1.00 0.00 H new ATOM 0 HG SER A 53 -2.603 2.926 -4.014 1.00 0.00 H new ATOM 800 N ASP A 54 -0.954 5.541 -2.002 1.00 0.00 N ATOM 801 CA ASP A 54 -1.005 6.949 -1.627 1.00 0.00 C ATOM 802 C ASP A 54 -2.415 7.535 -1.756 1.00 0.00 C ATOM 803 O ASP A 54 -2.620 8.715 -1.473 1.00 0.00 O ATOM 804 CB ASP A 54 -0.026 7.749 -2.489 1.00 0.00 C ATOM 805 CG ASP A 54 0.825 8.693 -1.664 1.00 0.00 C ATOM 806 OD1 ASP A 54 0.290 9.721 -1.198 1.00 0.00 O ATOM 807 OD2 ASP A 54 2.024 8.403 -1.476 1.00 0.00 O ATOM 0 H ASP A 54 -0.588 5.372 -2.939 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.720 7.019 -0.577 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.621 7.062 -3.034 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.582 8.320 -3.232 1.00 0.00 H new ATOM 812 N ILE A 55 -3.384 6.714 -2.185 1.00 0.00 N ATOM 813 CA ILE A 55 -4.776 7.161 -2.358 1.00 0.00 C ATOM 814 C ILE A 55 -4.845 8.598 -2.884 1.00 0.00 C ATOM 815 O ILE A 55 -4.797 9.556 -2.113 1.00 0.00 O ATOM 816 CB ILE A 55 -5.595 7.046 -1.043 1.00 0.00 C ATOM 817 CG1 ILE A 55 -7.008 7.591 -1.248 1.00 0.00 C ATOM 818 CG2 ILE A 55 -4.915 7.773 0.106 1.00 0.00 C ATOM 819 CD1 ILE A 55 -7.992 7.150 -0.184 1.00 0.00 C ATOM 0 H ILE A 55 -3.230 5.733 -2.420 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.220 6.494 -3.097 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.653 5.989 -0.782 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.969 8.680 -1.265 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.373 7.270 -2.223 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.517 7.670 1.009 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.929 7.341 0.277 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.811 8.829 -0.143 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.973 7.576 -0.396 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.062 6.062 -0.181 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.651 7.494 0.792 1.00 0.00 H new ATOM 831 N ARG A 56 -4.951 8.737 -4.206 1.00 0.00 N ATOM 832 CA ARG A 56 -5.012 10.054 -4.834 1.00 0.00 C ATOM 833 C ARG A 56 -6.321 10.259 -5.595 1.00 0.00 C ATOM 834 O ARG A 56 -6.335 10.839 -6.682 1.00 0.00 O ATOM 835 CB ARG A 56 -3.823 10.240 -5.781 1.00 0.00 C ATOM 836 CG ARG A 56 -2.532 10.614 -5.069 1.00 0.00 C ATOM 837 CD ARG A 56 -1.838 11.783 -5.753 1.00 0.00 C ATOM 838 NE ARG A 56 -0.515 12.042 -5.189 1.00 0.00 N ATOM 839 CZ ARG A 56 -0.020 13.261 -4.973 1.00 0.00 C ATOM 840 NH1 ARG A 56 -0.724 14.343 -5.286 1.00 0.00 N ATOM 841 NH2 ARG A 56 1.189 13.398 -4.445 1.00 0.00 N ATOM 0 H ARG A 56 -4.996 7.955 -4.860 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.968 10.801 -4.041 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.666 9.317 -6.340 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.065 11.015 -6.508 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.749 10.874 -4.033 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.863 9.753 -5.049 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.743 11.575 -6.819 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.454 12.677 -5.657 1.00 0.00 H new ATOM 0 HE ARG A 56 0.066 11.240 -4.945 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.653 14.246 -5.696 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -0.336 15.271 -5.116 1.00 0.00 H new ATOM 0 HH21 ARG A 56 1.737 12.572 -4.205 1.00 0.00 H new ATOM 0 HH22 ARG A 56 1.570 14.329 -4.279 1.00 0.00 H new ATOM 855 N MET A 57 -7.419 9.797 -5.010 1.00 0.00 N ATOM 856 CA MET A 57 -8.737 9.939 -5.616 1.00 0.00 C ATOM 857 C MET A 57 -8.829 9.264 -6.991 1.00 0.00 C ATOM 858 O MET A 57 -9.368 9.844 -7.934 1.00 0.00 O ATOM 859 CB MET A 57 -9.110 11.422 -5.727 1.00 0.00 C ATOM 860 CG MET A 57 -10.239 11.829 -4.791 1.00 0.00 C ATOM 861 SD MET A 57 -11.429 12.930 -5.574 1.00 0.00 S ATOM 862 CE MET A 57 -10.497 14.456 -5.593 1.00 0.00 C ATOM 0 H MET A 57 -7.422 9.317 -4.110 1.00 0.00 H new ATOM 0 HA MET A 57 -9.447 9.431 -4.963 1.00 0.00 H new ATOM 0 HB2 MET A 57 -8.231 12.028 -5.510 1.00 0.00 H new ATOM 0 HB3 MET A 57 -9.402 11.640 -6.754 1.00 0.00 H new ATOM 0 HG2 MET A 57 -10.754 10.935 -4.440 1.00 0.00 H new ATOM 0 HG3 MET A 57 -9.819 12.320 -3.914 1.00 0.00 H new ATOM 0 HE1 MET A 57 -11.097 15.243 -6.049 1.00 0.00 H new ATOM 0 HE2 MET A 57 -10.242 14.740 -4.572 1.00 0.00 H new ATOM 0 HE3 MET A 57 -9.583 14.317 -6.170 1.00 0.00 H new ATOM 872 N PRO A 58 -8.333 8.018 -7.122 1.00 0.00 N ATOM 873 CA PRO A 58 -8.399 7.280 -8.389 1.00 0.00 C ATOM 874 C PRO A 58 -9.849 7.044 -8.818 1.00 0.00 C ATOM 875 O PRO A 58 -10.381 7.777 -9.651 1.00 0.00 O ATOM 876 CB PRO A 58 -7.693 5.953 -8.077 1.00 0.00 C ATOM 877 CG PRO A 58 -7.741 5.829 -6.592 1.00 0.00 C ATOM 878 CD PRO A 58 -7.702 7.230 -6.052 1.00 0.00 C ATOM 0 HA PRO A 58 -7.935 7.821 -9.214 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.197 5.115 -8.559 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.665 5.958 -8.439 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.648 5.314 -6.274 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -6.897 5.246 -6.223 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -8.249 7.315 -5.113 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -6.681 7.559 -5.858 1.00 0.00 H new ATOM 886 N GLY A 59 -10.492 6.041 -8.222 1.00 0.00 N ATOM 887 CA GLY A 59 -11.885 5.753 -8.531 1.00 0.00 C ATOM 888 C GLY A 59 -12.784 6.188 -7.390 1.00 0.00 C ATOM 889 O GLY A 59 -13.323 7.294 -7.401 1.00 0.00 O ATOM 0 H GLY A 59 -10.072 5.421 -7.529 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -12.174 6.269 -9.447 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.010 4.686 -8.713 1.00 0.00 H new ATOM 893 N MET A 60 -12.898 5.336 -6.378 1.00 0.00 N ATOM 894 CA MET A 60 -13.683 5.657 -5.190 1.00 0.00 C ATOM 895 C MET A 60 -12.779 6.390 -4.218 1.00 0.00 C ATOM 896 O MET A 60 -12.527 5.924 -3.102 1.00 0.00 O ATOM 897 CB MET A 60 -14.262 4.397 -4.526 1.00 0.00 C ATOM 898 CG MET A 60 -15.013 4.673 -3.224 1.00 0.00 C ATOM 899 SD MET A 60 -16.758 5.029 -3.498 1.00 0.00 S ATOM 900 CE MET A 60 -17.464 3.391 -3.342 1.00 0.00 C ATOM 0 H MET A 60 -12.457 4.417 -6.355 1.00 0.00 H new ATOM 0 HA MET A 60 -14.530 6.279 -5.480 1.00 0.00 H new ATOM 0 HB2 MET A 60 -14.938 3.907 -5.227 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.450 3.698 -4.325 1.00 0.00 H new ATOM 0 HG2 MET A 60 -14.920 3.810 -2.565 1.00 0.00 H new ATOM 0 HG3 MET A 60 -14.549 5.516 -2.712 1.00 0.00 H new ATOM 0 HE1 MET A 60 -18.543 3.445 -3.486 1.00 0.00 H new ATOM 0 HE2 MET A 60 -17.029 2.734 -4.095 1.00 0.00 H new ATOM 0 HE3 MET A 60 -17.250 2.996 -2.349 1.00 0.00 H new ATOM 910 N ASP A 61 -12.253 7.521 -4.682 1.00 0.00 N ATOM 911 CA ASP A 61 -11.337 8.346 -3.900 1.00 0.00 C ATOM 912 C ASP A 61 -10.036 7.608 -3.583 1.00 0.00 C ATOM 913 O ASP A 61 -9.049 8.216 -3.177 1.00 0.00 O ATOM 914 CB ASP A 61 -12.004 8.772 -2.604 1.00 0.00 C ATOM 915 CG ASP A 61 -12.450 10.222 -2.628 1.00 0.00 C ATOM 916 OD1 ASP A 61 -13.405 10.538 -3.368 1.00 0.00 O ATOM 917 OD2 ASP A 61 -11.842 11.041 -1.908 1.00 0.00 O ATOM 0 H ASP A 61 -12.450 7.891 -5.612 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.091 9.222 -4.500 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.867 8.133 -2.416 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.311 8.622 -1.776 1.00 0.00 H new ATOM 922 N GLY A 62 -10.063 6.298 -3.751 1.00 0.00 N ATOM 923 CA GLY A 62 -8.916 5.468 -3.461 1.00 0.00 C ATOM 924 C GLY A 62 -9.347 4.233 -2.711 1.00 0.00 C ATOM 925 O GLY A 62 -8.762 3.162 -2.863 1.00 0.00 O ATOM 0 H GLY A 62 -10.877 5.786 -4.090 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.418 5.185 -4.389 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.192 6.028 -2.869 1.00 0.00 H new ATOM 929 N LEU A 63 -10.410 4.381 -1.922 1.00 0.00 N ATOM 930 CA LEU A 63 -10.966 3.270 -1.168 1.00 0.00 C ATOM 931 C LEU A 63 -11.317 2.141 -2.127 1.00 0.00 C ATOM 932 O LEU A 63 -11.258 0.959 -1.779 1.00 0.00 O ATOM 933 CB LEU A 63 -12.214 3.728 -0.406 1.00 0.00 C ATOM 934 CG LEU A 63 -12.240 3.398 1.090 1.00 0.00 C ATOM 935 CD1 LEU A 63 -10.920 3.724 1.753 1.00 0.00 C ATOM 936 CD2 LEU A 63 -13.366 4.145 1.782 1.00 0.00 C ATOM 0 H LEU A 63 -10.902 5.265 -1.791 1.00 0.00 H new ATOM 0 HA LEU A 63 -10.232 2.913 -0.446 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.312 4.807 -0.523 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -13.089 3.276 -0.874 1.00 0.00 H new ATOM 0 HG LEU A 63 -12.412 2.326 1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -10.975 3.477 2.813 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.125 3.143 1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.708 4.787 1.638 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -13.368 3.898 2.844 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -13.220 5.218 1.660 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -14.320 3.856 1.340 1.00 0.00 H new ATOM 948 N ALA A 64 -11.665 2.526 -3.354 1.00 0.00 N ATOM 949 CA ALA A 64 -12.007 1.557 -4.388 1.00 0.00 C ATOM 950 C ALA A 64 -10.889 0.534 -4.541 1.00 0.00 C ATOM 951 O ALA A 64 -11.140 -0.654 -4.736 1.00 0.00 O ATOM 952 CB ALA A 64 -12.257 2.269 -5.707 1.00 0.00 C ATOM 0 H ALA A 64 -11.717 3.500 -3.653 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.917 1.034 -4.095 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -12.512 1.537 -6.473 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -13.081 2.973 -5.590 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.358 2.808 -6.005 1.00 0.00 H new ATOM 958 N LEU A 65 -9.651 1.006 -4.435 1.00 0.00 N ATOM 959 CA LEU A 65 -8.487 0.137 -4.549 1.00 0.00 C ATOM 960 C LEU A 65 -8.625 -1.061 -3.614 1.00 0.00 C ATOM 961 O LEU A 65 -8.467 -2.205 -4.030 1.00 0.00 O ATOM 962 CB LEU A 65 -7.207 0.922 -4.227 1.00 0.00 C ATOM 963 CG LEU A 65 -6.109 0.851 -5.291 1.00 0.00 C ATOM 964 CD1 LEU A 65 -6.641 1.313 -6.639 1.00 0.00 C ATOM 965 CD2 LEU A 65 -4.911 1.692 -4.874 1.00 0.00 C ATOM 0 H LEU A 65 -9.429 1.988 -4.270 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.424 -0.230 -5.573 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.472 1.968 -4.071 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.801 0.552 -3.285 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.787 -0.186 -5.386 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.846 1.256 -7.383 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.469 0.672 -6.942 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.989 2.343 -6.559 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.139 1.631 -5.641 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.220 2.730 -4.752 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.515 1.318 -3.930 1.00 0.00 H new ATOM 977 N LEU A 66 -8.940 -0.788 -2.353 1.00 0.00 N ATOM 978 CA LEU A 66 -9.114 -1.840 -1.358 1.00 0.00 C ATOM 979 C LEU A 66 -10.101 -2.892 -1.839 1.00 0.00 C ATOM 980 O LEU A 66 -9.872 -4.092 -1.680 1.00 0.00 O ATOM 981 CB LEU A 66 -9.587 -1.234 -0.046 1.00 0.00 C ATOM 982 CG LEU A 66 -8.564 -0.337 0.644 1.00 0.00 C ATOM 983 CD1 LEU A 66 -9.137 0.217 1.929 1.00 0.00 C ATOM 984 CD2 LEU A 66 -7.279 -1.099 0.922 1.00 0.00 C ATOM 0 H LEU A 66 -9.081 0.156 -1.994 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.153 -2.329 -1.203 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -10.491 -0.655 -0.234 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.861 -2.041 0.634 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.330 0.493 -0.022 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.397 0.855 2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -10.030 0.801 1.707 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.397 -0.605 2.596 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.564 -0.440 1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.493 -1.950 1.569 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.857 -1.455 -0.018 1.00 0.00 H new ATOM 996 N LYS A 67 -11.194 -2.438 -2.433 1.00 0.00 N ATOM 997 CA LYS A 67 -12.208 -3.349 -2.945 1.00 0.00 C ATOM 998 C LYS A 67 -11.600 -4.297 -3.976 1.00 0.00 C ATOM 999 O LYS A 67 -11.818 -5.509 -3.927 1.00 0.00 O ATOM 1000 CB LYS A 67 -13.365 -2.562 -3.561 1.00 0.00 C ATOM 1001 CG LYS A 67 -14.285 -1.941 -2.525 1.00 0.00 C ATOM 1002 CD LYS A 67 -15.521 -1.331 -3.166 1.00 0.00 C ATOM 1003 CE LYS A 67 -16.682 -1.276 -2.186 1.00 0.00 C ATOM 1004 NZ LYS A 67 -17.395 -2.577 -2.089 1.00 0.00 N ATOM 0 H LYS A 67 -11.402 -1.449 -2.572 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.594 -3.942 -2.116 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.962 -1.775 -4.198 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.946 -3.225 -4.202 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.586 -2.701 -1.804 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.745 -1.173 -1.972 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -15.292 -0.325 -3.518 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.807 -1.917 -4.039 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -16.311 -0.992 -1.201 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -17.383 -0.502 -2.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -18.179 -2.494 -1.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -17.772 -2.837 -3.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -16.734 -3.312 -1.766 1.00 0.00 H new ATOM 1018 N GLN A 68 -10.828 -3.737 -4.906 1.00 0.00 N ATOM 1019 CA GLN A 68 -10.178 -4.531 -5.946 1.00 0.00 C ATOM 1020 C GLN A 68 -9.149 -5.482 -5.338 1.00 0.00 C ATOM 1021 O GLN A 68 -8.906 -6.571 -5.859 1.00 0.00 O ATOM 1022 CB GLN A 68 -9.483 -3.620 -6.967 1.00 0.00 C ATOM 1023 CG GLN A 68 -10.353 -2.488 -7.496 1.00 0.00 C ATOM 1024 CD GLN A 68 -11.412 -2.971 -8.466 1.00 0.00 C ATOM 1025 OE1 GLN A 68 -12.605 -2.747 -8.260 1.00 0.00 O ATOM 1026 NE2 GLN A 68 -10.980 -3.640 -9.530 1.00 0.00 N ATOM 0 H GLN A 68 -10.638 -2.736 -4.960 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.950 -5.113 -6.449 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.592 -3.192 -6.507 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.147 -4.227 -7.808 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.835 -1.984 -6.659 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.721 -1.750 -7.991 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -9.981 -3.802 -9.660 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -11.647 -3.991 -10.217 1.00 0.00 H new ATOM 1035 N ILE A 69 -8.539 -5.051 -4.238 1.00 0.00 N ATOM 1036 CA ILE A 69 -7.523 -5.841 -3.551 1.00 0.00 C ATOM 1037 C ILE A 69 -8.075 -7.183 -3.078 1.00 0.00 C ATOM 1038 O ILE A 69 -7.445 -8.225 -3.255 1.00 0.00 O ATOM 1039 CB ILE A 69 -6.946 -5.052 -2.351 1.00 0.00 C ATOM 1040 CG1 ILE A 69 -6.275 -3.763 -2.848 1.00 0.00 C ATOM 1041 CG2 ILE A 69 -5.967 -5.905 -1.550 1.00 0.00 C ATOM 1042 CD1 ILE A 69 -5.945 -2.775 -1.752 1.00 0.00 C ATOM 0 H ILE A 69 -8.733 -4.150 -3.800 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.725 -6.041 -4.266 1.00 0.00 H new ATOM 0 HB ILE A 69 -7.766 -4.785 -1.684 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -5.357 -4.024 -3.375 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.932 -3.280 -3.572 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.578 -5.324 -0.714 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.480 -6.789 -1.171 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.142 -6.213 -2.193 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.474 -1.893 -2.187 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.861 -2.482 -1.239 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.262 -3.237 -1.039 1.00 0.00 H new ATOM 1054 N LYS A 70 -9.251 -7.144 -2.477 1.00 0.00 N ATOM 1055 CA LYS A 70 -9.897 -8.352 -1.971 1.00 0.00 C ATOM 1056 C LYS A 70 -10.352 -9.260 -3.106 1.00 0.00 C ATOM 1057 O LYS A 70 -10.423 -10.479 -2.951 1.00 0.00 O ATOM 1058 CB LYS A 70 -11.094 -7.984 -1.093 1.00 0.00 C ATOM 1059 CG LYS A 70 -12.236 -7.331 -1.857 1.00 0.00 C ATOM 1060 CD LYS A 70 -13.581 -7.928 -1.474 1.00 0.00 C ATOM 1061 CE LYS A 70 -14.727 -7.137 -2.079 1.00 0.00 C ATOM 1062 NZ LYS A 70 -15.068 -5.941 -1.258 1.00 0.00 N ATOM 0 H LYS A 70 -9.783 -6.287 -2.325 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.162 -8.894 -1.376 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.464 -8.885 -0.603 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.761 -7.307 -0.306 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.243 -6.260 -1.656 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.075 -7.454 -2.928 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.632 -8.963 -1.813 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.679 -7.943 -0.389 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.458 -6.821 -3.087 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.604 -7.778 -2.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.855 -5.427 -1.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.349 -6.244 -0.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.239 -5.316 -1.193 1.00 0.00 H new ATOM 1076 N GLN A 71 -10.673 -8.653 -4.239 1.00 0.00 N ATOM 1077 CA GLN A 71 -11.139 -9.391 -5.401 1.00 0.00 C ATOM 1078 C GLN A 71 -9.977 -9.936 -6.221 1.00 0.00 C ATOM 1079 O GLN A 71 -10.078 -10.996 -6.838 1.00 0.00 O ATOM 1080 CB GLN A 71 -12.014 -8.493 -6.276 1.00 0.00 C ATOM 1081 CG GLN A 71 -13.412 -8.278 -5.725 1.00 0.00 C ATOM 1082 CD GLN A 71 -14.035 -6.981 -6.207 1.00 0.00 C ATOM 1083 OE1 GLN A 71 -15.122 -6.976 -6.785 1.00 0.00 O ATOM 1084 NE2 GLN A 71 -13.342 -5.873 -5.974 1.00 0.00 N ATOM 0 H GLN A 71 -10.618 -7.644 -4.377 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.726 -10.237 -5.044 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.526 -7.525 -6.390 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -12.089 -8.932 -7.271 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -14.047 -9.113 -6.019 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -13.373 -8.275 -4.636 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.445 -5.925 -5.491 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.707 -4.970 -6.278 1.00 0.00 H new ATOM 1093 N ARG A 72 -8.885 -9.189 -6.238 1.00 0.00 N ATOM 1094 CA ARG A 72 -7.701 -9.572 -7.000 1.00 0.00 C ATOM 1095 C ARG A 72 -6.736 -10.409 -6.178 1.00 0.00 C ATOM 1096 O ARG A 72 -6.489 -11.576 -6.482 1.00 0.00 O ATOM 1097 CB ARG A 72 -6.980 -8.328 -7.505 1.00 0.00 C ATOM 1098 CG ARG A 72 -7.822 -7.461 -8.422 1.00 0.00 C ATOM 1099 CD ARG A 72 -7.138 -7.249 -9.762 1.00 0.00 C ATOM 1100 NE ARG A 72 -7.229 -8.431 -10.614 1.00 0.00 N ATOM 1101 CZ ARG A 72 -8.266 -8.700 -11.403 1.00 0.00 C ATOM 1102 NH1 ARG A 72 -9.302 -7.872 -11.455 1.00 0.00 N ATOM 1103 NH2 ARG A 72 -8.268 -9.803 -12.139 1.00 0.00 N ATOM 0 H ARG A 72 -8.791 -8.309 -5.731 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.042 -10.178 -7.840 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.661 -7.732 -6.650 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.078 -8.633 -8.036 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.794 -7.929 -8.577 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.005 -6.497 -7.948 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.593 -6.399 -10.271 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.090 -6.999 -9.599 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.451 -9.090 -10.604 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.306 -7.024 -10.888 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -10.094 -8.084 -12.062 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -7.475 -10.444 -12.100 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -9.062 -10.011 -12.744 1.00 0.00 H new ATOM 1117 N HIS A 73 -6.179 -9.795 -5.151 1.00 0.00 N ATOM 1118 CA HIS A 73 -5.217 -10.474 -4.292 1.00 0.00 C ATOM 1119 C HIS A 73 -5.887 -11.041 -3.047 1.00 0.00 C ATOM 1120 O HIS A 73 -6.979 -10.618 -2.666 1.00 0.00 O ATOM 1121 CB HIS A 73 -4.067 -9.544 -3.879 1.00 0.00 C ATOM 1122 CG HIS A 73 -4.253 -8.096 -4.227 1.00 0.00 C ATOM 1123 ND1 HIS A 73 -4.054 -7.084 -3.321 1.00 0.00 N ATOM 1124 CD2 HIS A 73 -4.584 -7.490 -5.389 1.00 0.00 C ATOM 1125 CE1 HIS A 73 -4.244 -5.923 -3.906 1.00 0.00 C ATOM 1126 NE2 HIS A 73 -4.570 -6.137 -5.159 1.00 0.00 N ATOM 0 H HIS A 73 -6.373 -8.829 -4.889 1.00 0.00 H new ATOM 0 HA HIS A 73 -4.804 -11.296 -4.876 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -3.925 -9.626 -2.801 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -3.149 -9.898 -4.349 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.816 -7.979 -6.324 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -4.148 -4.956 -3.435 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -4.779 -5.416 -5.849 1.00 0.00 H new ATOM 1135 N PRO A 74 -5.237 -12.024 -2.400 1.00 0.00 N ATOM 1136 CA PRO A 74 -5.750 -12.674 -1.210 1.00 0.00 C ATOM 1137 C PRO A 74 -5.198 -12.094 0.090 1.00 0.00 C ATOM 1138 O PRO A 74 -4.090 -12.426 0.510 1.00 0.00 O ATOM 1139 CB PRO A 74 -5.253 -14.103 -1.394 1.00 0.00 C ATOM 1140 CG PRO A 74 -3.952 -13.967 -2.130 1.00 0.00 C ATOM 1141 CD PRO A 74 -3.944 -12.604 -2.790 1.00 0.00 C ATOM 0 HA PRO A 74 -6.830 -12.561 -1.117 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -5.114 -14.600 -0.434 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -5.967 -14.700 -1.961 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.111 -14.066 -1.444 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -3.849 -14.755 -2.876 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -3.110 -11.995 -2.442 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.850 -12.683 -3.873 1.00 0.00 H new ATOM 1149 N MET A 75 -5.999 -11.262 0.741 1.00 0.00 N ATOM 1150 CA MET A 75 -5.628 -10.669 2.017 1.00 0.00 C ATOM 1151 C MET A 75 -4.321 -9.885 1.953 1.00 0.00 C ATOM 1152 O MET A 75 -3.652 -9.705 2.971 1.00 0.00 O ATOM 1153 CB MET A 75 -5.500 -11.780 3.047 1.00 0.00 C ATOM 1154 CG MET A 75 -6.825 -12.245 3.617 1.00 0.00 C ATOM 1155 SD MET A 75 -6.697 -12.713 5.353 1.00 0.00 S ATOM 1156 CE MET A 75 -8.381 -13.213 5.693 1.00 0.00 C ATOM 0 H MET A 75 -6.919 -10.981 0.402 1.00 0.00 H new ATOM 0 HA MET A 75 -6.408 -9.959 2.292 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.994 -12.630 2.589 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.866 -11.434 3.863 1.00 0.00 H new ATOM 0 HG2 MET A 75 -7.563 -11.450 3.511 1.00 0.00 H new ATOM 0 HG3 MET A 75 -7.188 -13.095 3.040 1.00 0.00 H new ATOM 0 HE1 MET A 75 -8.552 -13.206 6.769 1.00 0.00 H new ATOM 0 HE2 MET A 75 -9.071 -12.520 5.211 1.00 0.00 H new ATOM 0 HE3 MET A 75 -8.547 -14.218 5.306 1.00 0.00 H new ATOM 1166 N LEU A 76 -3.954 -9.415 0.770 1.00 0.00 N ATOM 1167 CA LEU A 76 -2.719 -8.651 0.616 1.00 0.00 C ATOM 1168 C LEU A 76 -2.738 -7.387 1.471 1.00 0.00 C ATOM 1169 O LEU A 76 -3.510 -6.467 1.204 1.00 0.00 O ATOM 1170 CB LEU A 76 -2.519 -8.247 -0.836 1.00 0.00 C ATOM 1171 CG LEU A 76 -1.070 -8.073 -1.270 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -1.005 -7.770 -2.755 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -0.407 -6.966 -0.467 1.00 0.00 C ATOM 0 H LEU A 76 -4.485 -9.546 -0.091 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.901 -9.294 0.942 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.984 -9.000 -1.473 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.048 -7.311 -1.011 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.531 -9.001 -1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.035 -7.647 -3.056 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.450 -8.593 -3.314 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.554 -6.852 -2.963 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.628 -6.853 -0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.941 -6.030 -0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.432 -7.220 0.593 1.00 0.00 H new ATOM 1185 N PRO A 77 -1.886 -7.313 2.509 1.00 0.00 N ATOM 1186 CA PRO A 77 -1.815 -6.140 3.386 1.00 0.00 C ATOM 1187 C PRO A 77 -1.457 -4.868 2.619 1.00 0.00 C ATOM 1188 O PRO A 77 -0.370 -4.748 2.053 1.00 0.00 O ATOM 1189 CB PRO A 77 -0.712 -6.499 4.385 1.00 0.00 C ATOM 1190 CG PRO A 77 -0.631 -7.986 4.338 1.00 0.00 C ATOM 1191 CD PRO A 77 -0.930 -8.356 2.914 1.00 0.00 C ATOM 0 HA PRO A 77 -2.773 -5.926 3.859 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.238 -6.041 4.108 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.955 -6.147 5.387 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.358 -8.335 4.636 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -1.349 -8.440 5.021 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.033 -8.347 2.295 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.361 -9.354 2.836 1.00 0.00 H new ATOM 1199 N VAL A 78 -2.390 -3.930 2.609 1.00 0.00 N ATOM 1200 CA VAL A 78 -2.220 -2.657 1.923 1.00 0.00 C ATOM 1201 C VAL A 78 -2.205 -1.499 2.916 1.00 0.00 C ATOM 1202 O VAL A 78 -2.907 -1.524 3.926 1.00 0.00 O ATOM 1203 CB VAL A 78 -3.353 -2.422 0.904 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -3.058 -1.208 0.033 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -3.568 -3.665 0.051 1.00 0.00 C ATOM 0 H VAL A 78 -3.290 -4.029 3.078 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.265 -2.699 1.400 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.272 -2.222 1.454 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.872 -1.063 -0.677 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.964 -0.323 0.662 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.126 -1.368 -0.510 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.371 -3.482 -0.663 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.650 -3.900 -0.488 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.837 -4.504 0.692 1.00 0.00 H new ATOM 1215 N ILE A 79 -1.406 -0.480 2.622 1.00 0.00 N ATOM 1216 CA ILE A 79 -1.313 0.684 3.493 1.00 0.00 C ATOM 1217 C ILE A 79 -1.749 1.947 2.765 1.00 0.00 C ATOM 1218 O ILE A 79 -1.075 2.414 1.848 1.00 0.00 O ATOM 1219 CB ILE A 79 0.119 0.877 4.026 1.00 0.00 C ATOM 1220 CG1 ILE A 79 0.671 -0.446 4.563 1.00 0.00 C ATOM 1221 CG2 ILE A 79 0.146 1.944 5.112 1.00 0.00 C ATOM 1222 CD1 ILE A 79 1.892 -0.940 3.820 1.00 0.00 C ATOM 0 H ILE A 79 -0.816 -0.436 1.791 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.981 0.504 4.335 1.00 0.00 H new ATOM 0 HB ILE A 79 0.752 1.208 3.202 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.922 -0.324 5.617 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.109 -1.205 4.507 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.166 2.066 5.476 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.209 2.890 4.702 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.500 1.641 5.936 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.227 -1.881 4.256 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.641 -1.095 2.771 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.689 -0.200 3.897 1.00 0.00 H new ATOM 1234 N ILE A 80 -2.886 2.488 3.177 1.00 0.00 N ATOM 1235 CA ILE A 80 -3.426 3.693 2.563 1.00 0.00 C ATOM 1236 C ILE A 80 -3.192 4.920 3.436 1.00 0.00 C ATOM 1237 O ILE A 80 -3.202 4.833 4.663 1.00 0.00 O ATOM 1238 CB ILE A 80 -4.933 3.557 2.307 1.00 0.00 C ATOM 1239 CG1 ILE A 80 -5.244 2.201 1.663 1.00 0.00 C ATOM 1240 CG2 ILE A 80 -5.417 4.700 1.431 1.00 0.00 C ATOM 1241 CD1 ILE A 80 -4.554 1.991 0.333 1.00 0.00 C ATOM 0 H ILE A 80 -3.454 2.111 3.936 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.902 3.820 1.616 1.00 0.00 H new ATOM 0 HB ILE A 80 -5.461 3.607 3.259 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.946 1.406 2.347 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -6.321 2.113 1.522 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.488 4.595 1.255 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -5.223 5.649 1.931 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.888 4.677 0.478 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.820 1.011 -0.064 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.870 2.764 -0.367 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.474 2.046 0.471 1.00 0.00 H new ATOM 1253 N MET A 81 -2.988 6.064 2.792 1.00 0.00 N ATOM 1254 CA MET A 81 -2.758 7.312 3.511 1.00 0.00 C ATOM 1255 C MET A 81 -4.029 7.771 4.233 1.00 0.00 C ATOM 1256 O MET A 81 -4.164 7.590 5.442 1.00 0.00 O ATOM 1257 CB MET A 81 -2.269 8.393 2.544 1.00 0.00 C ATOM 1258 CG MET A 81 -2.089 9.758 3.189 1.00 0.00 C ATOM 1259 SD MET A 81 -2.153 11.108 1.995 1.00 0.00 S ATOM 1260 CE MET A 81 -2.448 12.501 3.082 1.00 0.00 C ATOM 0 H MET A 81 -2.977 6.153 1.776 1.00 0.00 H new ATOM 0 HA MET A 81 -1.989 7.139 4.264 1.00 0.00 H new ATOM 0 HB2 MET A 81 -1.319 8.078 2.112 1.00 0.00 H new ATOM 0 HB3 MET A 81 -2.980 8.481 1.722 1.00 0.00 H new ATOM 0 HG2 MET A 81 -2.866 9.906 3.940 1.00 0.00 H new ATOM 0 HG3 MET A 81 -1.132 9.785 3.711 1.00 0.00 H new ATOM 0 HE1 MET A 81 -3.388 12.981 2.811 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.503 12.153 4.113 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.633 13.218 2.984 1.00 0.00 H new ATOM 1270 N THR A 82 -4.957 8.365 3.486 1.00 0.00 N ATOM 1271 CA THR A 82 -6.212 8.851 4.064 1.00 0.00 C ATOM 1272 C THR A 82 -7.382 7.953 3.672 1.00 0.00 C ATOM 1273 O THR A 82 -7.305 7.216 2.693 1.00 0.00 O ATOM 1274 CB THR A 82 -6.488 10.284 3.605 1.00 0.00 C ATOM 1275 OG1 THR A 82 -5.302 11.057 3.628 1.00 0.00 O ATOM 1276 CG2 THR A 82 -7.518 10.999 4.454 1.00 0.00 C ATOM 0 H THR A 82 -4.866 8.522 2.482 1.00 0.00 H new ATOM 0 HA THR A 82 -6.109 8.832 5.149 1.00 0.00 H new ATOM 0 HB THR A 82 -6.878 10.190 2.592 1.00 0.00 H new ATOM 0 HG1 THR A 82 -5.500 11.969 3.329 1.00 0.00 H new ATOM 0 HG21 THR A 82 -7.665 12.010 4.073 1.00 0.00 H new ATOM 0 HG22 THR A 82 -8.462 10.455 4.415 1.00 0.00 H new ATOM 0 HG23 THR A 82 -7.169 11.047 5.486 1.00 0.00 H new ATOM 1284 N ALA A 83 -8.462 8.017 4.450 1.00 0.00 N ATOM 1285 CA ALA A 83 -9.649 7.206 4.190 1.00 0.00 C ATOM 1286 C ALA A 83 -10.611 7.897 3.224 1.00 0.00 C ATOM 1287 O ALA A 83 -11.476 7.253 2.636 1.00 0.00 O ATOM 1288 CB ALA A 83 -10.361 6.877 5.495 1.00 0.00 C ATOM 0 H ALA A 83 -8.539 8.623 5.267 1.00 0.00 H new ATOM 0 HA ALA A 83 -9.316 6.281 3.719 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.243 6.272 5.286 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -9.687 6.322 6.147 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -10.663 7.801 5.988 1.00 0.00 H new ATOM 1294 N HIS A 84 -10.444 9.207 3.057 1.00 0.00 N ATOM 1295 CA HIS A 84 -11.283 9.987 2.155 1.00 0.00 C ATOM 1296 C HIS A 84 -12.774 9.701 2.367 1.00 0.00 C ATOM 1297 O HIS A 84 -13.433 10.374 3.159 1.00 0.00 O ATOM 1298 CB HIS A 84 -10.886 9.696 0.713 1.00 0.00 C ATOM 1299 CG HIS A 84 -9.695 10.475 0.250 1.00 0.00 C ATOM 1300 ND1 HIS A 84 -8.792 10.208 -0.720 1.00 0.00 N flip ATOM 1301 CD2 HIS A 84 -9.315 11.678 0.804 1.00 0.00 C flip ATOM 1302 CE1 HIS A 84 -7.892 11.243 -0.734 1.00 0.00 C flip ATOM 1303 NE2 HIS A 84 -8.229 12.117 0.195 1.00 0.00 N flip ATOM 0 H HIS A 84 -9.729 9.752 3.539 1.00 0.00 H new ATOM 0 HA HIS A 84 -11.125 11.043 2.374 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -10.675 8.631 0.611 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -11.731 9.918 0.061 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -9.826 12.183 1.611 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -7.045 11.329 -1.398 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -7.735 12.984 0.407 1.00 0.00 H new ATOM 1312 N SER A 85 -13.302 8.710 1.650 1.00 0.00 N ATOM 1313 CA SER A 85 -14.711 8.353 1.758 1.00 0.00 C ATOM 1314 C SER A 85 -14.959 7.453 2.968 1.00 0.00 C ATOM 1315 O SER A 85 -14.080 7.270 3.808 1.00 0.00 O ATOM 1316 CB SER A 85 -15.178 7.656 0.476 1.00 0.00 C ATOM 1317 OG SER A 85 -15.479 8.601 -0.538 1.00 0.00 O ATOM 0 H SER A 85 -12.773 8.141 0.989 1.00 0.00 H new ATOM 0 HA SER A 85 -15.284 9.270 1.895 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.402 6.976 0.125 1.00 0.00 H new ATOM 0 HB3 SER A 85 -16.060 7.051 0.688 1.00 0.00 H new ATOM 0 HG SER A 85 -15.773 8.131 -1.346 1.00 0.00 H new ATOM 1323 N ASP A 86 -16.170 6.898 3.046 1.00 0.00 N ATOM 1324 CA ASP A 86 -16.559 6.015 4.149 1.00 0.00 C ATOM 1325 C ASP A 86 -15.441 5.057 4.540 1.00 0.00 C ATOM 1326 O ASP A 86 -15.143 4.109 3.821 1.00 0.00 O ATOM 1327 CB ASP A 86 -17.805 5.213 3.765 1.00 0.00 C ATOM 1328 CG ASP A 86 -19.042 6.081 3.644 1.00 0.00 C ATOM 1329 OD1 ASP A 86 -19.585 6.487 4.692 1.00 0.00 O ATOM 1330 OD2 ASP A 86 -19.466 6.355 2.501 1.00 0.00 O ATOM 0 H ASP A 86 -16.904 7.046 2.353 1.00 0.00 H new ATOM 0 HA ASP A 86 -16.773 6.649 5.010 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -17.628 4.705 2.817 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -17.980 4.440 4.513 1.00 0.00 H new ATOM 1335 N LEU A 87 -14.848 5.300 5.705 1.00 0.00 N ATOM 1336 CA LEU A 87 -13.778 4.452 6.225 1.00 0.00 C ATOM 1337 C LEU A 87 -14.151 2.971 6.145 1.00 0.00 C ATOM 1338 O LEU A 87 -13.283 2.099 6.191 1.00 0.00 O ATOM 1339 CB LEU A 87 -13.464 4.832 7.676 1.00 0.00 C ATOM 1340 CG LEU A 87 -12.056 5.380 7.919 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -11.854 5.705 9.392 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -11.006 4.387 7.443 1.00 0.00 C ATOM 0 H LEU A 87 -15.092 6.083 6.311 1.00 0.00 H new ATOM 0 HA LEU A 87 -12.894 4.612 5.608 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.188 5.578 8.003 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.607 3.952 8.304 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.944 6.300 7.346 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -10.847 6.093 9.544 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -12.582 6.454 9.703 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -11.988 4.801 9.986 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.011 4.794 7.624 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.119 3.449 7.987 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -11.135 4.205 6.376 1.00 0.00 H new ATOM 1354 N ASP A 88 -15.449 2.695 6.056 1.00 0.00 N ATOM 1355 CA ASP A 88 -15.949 1.324 6.002 1.00 0.00 C ATOM 1356 C ASP A 88 -15.193 0.461 4.991 1.00 0.00 C ATOM 1357 O ASP A 88 -14.850 -0.682 5.296 1.00 0.00 O ATOM 1358 CB ASP A 88 -17.442 1.313 5.673 1.00 0.00 C ATOM 1359 CG ASP A 88 -18.098 -0.011 6.012 1.00 0.00 C ATOM 1360 OD1 ASP A 88 -17.366 -1.007 6.197 1.00 0.00 O ATOM 1361 OD2 ASP A 88 -19.342 -0.053 6.096 1.00 0.00 O ATOM 0 H ASP A 88 -16.178 3.407 6.020 1.00 0.00 H new ATOM 0 HA ASP A 88 -15.785 0.892 6.989 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -17.938 2.113 6.223 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -17.579 1.522 4.612 1.00 0.00 H new ATOM 1366 N ALA A 89 -14.918 0.990 3.796 1.00 0.00 N ATOM 1367 CA ALA A 89 -14.192 0.216 2.802 1.00 0.00 C ATOM 1368 C ALA A 89 -12.719 0.126 3.188 1.00 0.00 C ATOM 1369 O ALA A 89 -12.014 -0.788 2.763 1.00 0.00 O ATOM 1370 CB ALA A 89 -14.384 0.780 1.392 1.00 0.00 C ATOM 0 H ALA A 89 -15.183 1.930 3.503 1.00 0.00 H new ATOM 0 HA ALA A 89 -14.601 -0.794 2.783 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -13.826 0.174 0.679 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -15.443 0.761 1.134 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -14.020 1.807 1.358 1.00 0.00 H new ATOM 1376 N ALA A 90 -12.272 1.065 4.027 1.00 0.00 N ATOM 1377 CA ALA A 90 -10.894 1.073 4.506 1.00 0.00 C ATOM 1378 C ALA A 90 -10.701 0.033 5.600 1.00 0.00 C ATOM 1379 O ALA A 90 -9.870 -0.869 5.480 1.00 0.00 O ATOM 1380 CB ALA A 90 -10.493 2.447 5.022 1.00 0.00 C ATOM 0 H ALA A 90 -12.847 1.827 4.386 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.252 0.825 3.661 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.461 2.418 5.371 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.584 3.178 4.219 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.147 2.731 5.847 1.00 0.00 H new ATOM 1386 N VAL A 91 -11.472 0.173 6.674 1.00 0.00 N ATOM 1387 CA VAL A 91 -11.387 -0.743 7.803 1.00 0.00 C ATOM 1388 C VAL A 91 -11.654 -2.179 7.379 1.00 0.00 C ATOM 1389 O VAL A 91 -10.825 -3.062 7.590 1.00 0.00 O ATOM 1390 CB VAL A 91 -12.367 -0.356 8.924 1.00 0.00 C ATOM 1391 CG1 VAL A 91 -12.097 -1.183 10.173 1.00 0.00 C ATOM 1392 CG2 VAL A 91 -12.272 1.133 9.227 1.00 0.00 C ATOM 0 H VAL A 91 -12.164 0.914 6.785 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.368 -0.669 8.184 1.00 0.00 H new ATOM 0 HB VAL A 91 -13.382 -0.568 8.587 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.798 -0.898 10.957 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -12.221 -2.241 9.943 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.078 -1.003 10.515 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -12.972 1.388 10.022 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -11.258 1.376 9.545 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.517 1.703 8.331 1.00 0.00 H new ATOM 1402 N SER A 92 -12.816 -2.406 6.776 1.00 0.00 N ATOM 1403 CA SER A 92 -13.187 -3.740 6.319 1.00 0.00 C ATOM 1404 C SER A 92 -12.091 -4.332 5.435 1.00 0.00 C ATOM 1405 O SER A 92 -11.926 -5.550 5.357 1.00 0.00 O ATOM 1406 CB SER A 92 -14.510 -3.693 5.554 1.00 0.00 C ATOM 1407 OG SER A 92 -14.340 -3.102 4.277 1.00 0.00 O ATOM 0 H SER A 92 -13.515 -1.686 6.593 1.00 0.00 H new ATOM 0 HA SER A 92 -13.309 -4.378 7.194 1.00 0.00 H new ATOM 0 HB2 SER A 92 -14.905 -4.703 5.441 1.00 0.00 H new ATOM 0 HB3 SER A 92 -15.244 -3.126 6.126 1.00 0.00 H new ATOM 0 HG SER A 92 -14.336 -2.126 4.366 1.00 0.00 H new ATOM 1413 N ALA A 93 -11.337 -3.458 4.773 1.00 0.00 N ATOM 1414 CA ALA A 93 -10.257 -3.896 3.901 1.00 0.00 C ATOM 1415 C ALA A 93 -9.243 -4.726 4.666 1.00 0.00 C ATOM 1416 O ALA A 93 -8.810 -5.782 4.206 1.00 0.00 O ATOM 1417 CB ALA A 93 -9.573 -2.704 3.255 1.00 0.00 C ATOM 0 H ALA A 93 -11.455 -2.446 4.825 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.692 -4.518 3.119 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -8.769 -3.053 2.607 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -10.298 -2.145 2.664 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -9.160 -2.058 4.030 1.00 0.00 H new ATOM 1423 N TYR A 94 -8.862 -4.234 5.838 1.00 0.00 N ATOM 1424 CA TYR A 94 -7.884 -4.926 6.677 1.00 0.00 C ATOM 1425 C TYR A 94 -8.245 -6.398 6.825 1.00 0.00 C ATOM 1426 O TYR A 94 -7.378 -7.249 7.024 1.00 0.00 O ATOM 1427 CB TYR A 94 -7.785 -4.283 8.067 1.00 0.00 C ATOM 1428 CG TYR A 94 -7.730 -2.770 8.062 1.00 0.00 C ATOM 1429 CD1 TYR A 94 -6.976 -2.083 7.121 1.00 0.00 C ATOM 1430 CD2 TYR A 94 -8.429 -2.030 9.009 1.00 0.00 C ATOM 1431 CE1 TYR A 94 -6.919 -0.703 7.120 1.00 0.00 C ATOM 1432 CE2 TYR A 94 -8.376 -0.649 9.014 1.00 0.00 C ATOM 1433 CZ TYR A 94 -7.621 0.008 8.069 1.00 0.00 C ATOM 1434 OH TYR A 94 -7.569 1.382 8.073 1.00 0.00 O ATOM 0 H TYR A 94 -9.213 -3.361 6.231 1.00 0.00 H new ATOM 0 HA TYR A 94 -6.916 -4.840 6.183 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -8.642 -4.600 8.661 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -6.894 -4.664 8.566 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.424 -2.637 6.376 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -9.022 -2.542 9.752 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -6.328 -0.184 6.380 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -8.925 -0.088 9.756 1.00 0.00 H new ATOM 0 HH TYR A 94 -7.765 1.719 7.174 1.00 0.00 H new ATOM 1444 N GLN A 95 -9.533 -6.680 6.726 1.00 0.00 N ATOM 1445 CA GLN A 95 -10.029 -8.041 6.848 1.00 0.00 C ATOM 1446 C GLN A 95 -9.767 -8.828 5.566 1.00 0.00 C ATOM 1447 O GLN A 95 -9.439 -10.014 5.604 1.00 0.00 O ATOM 1448 CB GLN A 95 -11.536 -8.020 7.182 1.00 0.00 C ATOM 1449 CG GLN A 95 -12.464 -8.282 5.996 1.00 0.00 C ATOM 1450 CD GLN A 95 -13.724 -7.446 6.028 1.00 0.00 C ATOM 1451 OE1 GLN A 95 -14.213 -7.071 7.094 1.00 0.00 O ATOM 1452 NE2 GLN A 95 -14.253 -7.146 4.846 1.00 0.00 N ATOM 0 H GLN A 95 -10.257 -5.981 6.561 1.00 0.00 H new ATOM 0 HA GLN A 95 -9.498 -8.539 7.659 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -11.733 -8.768 7.950 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -11.784 -7.049 7.611 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -11.925 -8.080 5.070 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.736 -9.337 5.983 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -13.811 -7.480 3.990 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -15.101 -6.582 4.795 1.00 0.00 H new ATOM 1461 N GLN A 96 -9.949 -8.158 4.435 1.00 0.00 N ATOM 1462 CA GLN A 96 -9.772 -8.782 3.133 1.00 0.00 C ATOM 1463 C GLN A 96 -8.422 -8.454 2.492 1.00 0.00 C ATOM 1464 O GLN A 96 -8.173 -8.835 1.348 1.00 0.00 O ATOM 1465 CB GLN A 96 -10.906 -8.352 2.203 1.00 0.00 C ATOM 1466 CG GLN A 96 -11.064 -6.843 2.090 1.00 0.00 C ATOM 1467 CD GLN A 96 -12.467 -6.435 1.683 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -13.427 -7.176 1.896 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -12.590 -5.251 1.099 1.00 0.00 N ATOM 0 H GLN A 96 -10.221 -7.176 4.395 1.00 0.00 H new ATOM 0 HA GLN A 96 -9.794 -9.861 3.287 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -10.727 -8.765 1.210 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -11.841 -8.781 2.563 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -10.818 -6.383 3.047 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -10.351 -6.460 1.360 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -11.765 -4.671 0.943 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -13.509 -4.920 0.806 1.00 0.00 H new ATOM 1478 N GLY A 97 -7.552 -7.756 3.217 1.00 0.00 N ATOM 1479 CA GLY A 97 -6.250 -7.415 2.665 1.00 0.00 C ATOM 1480 C GLY A 97 -5.927 -5.934 2.766 1.00 0.00 C ATOM 1481 O GLY A 97 -6.044 -5.200 1.785 1.00 0.00 O ATOM 0 H GLY A 97 -7.721 -7.423 4.166 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.481 -7.985 3.187 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.216 -7.717 1.618 1.00 0.00 H new ATOM 1485 N ALA A 98 -5.507 -5.501 3.950 1.00 0.00 N ATOM 1486 CA ALA A 98 -5.145 -4.108 4.182 1.00 0.00 C ATOM 1487 C ALA A 98 -4.508 -3.944 5.560 1.00 0.00 C ATOM 1488 O ALA A 98 -5.059 -4.380 6.568 1.00 0.00 O ATOM 1489 CB ALA A 98 -6.347 -3.198 4.017 1.00 0.00 C ATOM 0 H ALA A 98 -5.409 -6.100 4.769 1.00 0.00 H new ATOM 0 HA ALA A 98 -4.409 -3.815 3.433 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -6.049 -2.165 4.196 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -6.739 -3.293 3.004 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -7.119 -3.482 4.732 1.00 0.00 H new ATOM 1495 N PHE A 99 -3.328 -3.339 5.596 1.00 0.00 N ATOM 1496 CA PHE A 99 -2.602 -3.150 6.843 1.00 0.00 C ATOM 1497 C PHE A 99 -3.271 -2.122 7.758 1.00 0.00 C ATOM 1498 O PHE A 99 -3.541 -2.409 8.923 1.00 0.00 O ATOM 1499 CB PHE A 99 -1.170 -2.716 6.544 1.00 0.00 C ATOM 1500 CG PHE A 99 -0.261 -2.781 7.734 1.00 0.00 C ATOM 1501 CD1 PHE A 99 -0.188 -3.928 8.511 1.00 0.00 C ATOM 1502 CD2 PHE A 99 0.526 -1.695 8.076 1.00 0.00 C ATOM 1503 CE1 PHE A 99 0.656 -3.988 9.604 1.00 0.00 C ATOM 1504 CE2 PHE A 99 1.369 -1.748 9.168 1.00 0.00 C ATOM 1505 CZ PHE A 99 1.434 -2.896 9.934 1.00 0.00 C ATOM 0 H PHE A 99 -2.853 -2.970 4.772 1.00 0.00 H new ATOM 0 HA PHE A 99 -2.605 -4.105 7.369 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -0.765 -3.348 5.754 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.181 -1.695 6.161 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.797 -4.783 8.259 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.480 -0.795 7.481 1.00 0.00 H new ATOM 0 HE1 PHE A 99 0.707 -4.888 10.199 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.977 -0.893 9.423 1.00 0.00 H new ATOM 0 HZ PHE A 99 2.092 -2.939 10.789 1.00 0.00 H new ATOM 1515 N ASP A 100 -3.524 -0.925 7.234 1.00 0.00 N ATOM 1516 CA ASP A 100 -4.148 0.132 8.034 1.00 0.00 C ATOM 1517 C ASP A 100 -4.319 1.421 7.233 1.00 0.00 C ATOM 1518 O ASP A 100 -4.116 1.445 6.019 1.00 0.00 O ATOM 1519 CB ASP A 100 -3.312 0.409 9.289 1.00 0.00 C ATOM 1520 CG ASP A 100 -4.111 0.248 10.568 1.00 0.00 C ATOM 1521 OD1 ASP A 100 -4.175 -0.884 11.090 1.00 0.00 O ATOM 1522 OD2 ASP A 100 -4.674 1.256 11.047 1.00 0.00 O ATOM 0 H ASP A 100 -3.311 -0.662 6.272 1.00 0.00 H new ATOM 0 HA ASP A 100 -5.139 -0.218 8.325 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -2.459 -0.269 9.310 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -2.913 1.422 9.239 1.00 0.00 H new ATOM 1527 N TYR A 101 -4.694 2.491 7.931 1.00 0.00 N ATOM 1528 CA TYR A 101 -4.898 3.796 7.307 1.00 0.00 C ATOM 1529 C TYR A 101 -4.250 4.896 8.145 1.00 0.00 C ATOM 1530 O TYR A 101 -4.088 4.749 9.356 1.00 0.00 O ATOM 1531 CB TYR A 101 -6.394 4.075 7.122 1.00 0.00 C ATOM 1532 CG TYR A 101 -6.897 3.769 5.726 1.00 0.00 C ATOM 1533 CD1 TYR A 101 -7.043 2.459 5.291 1.00 0.00 C ATOM 1534 CD2 TYR A 101 -7.209 4.791 4.840 1.00 0.00 C ATOM 1535 CE1 TYR A 101 -7.484 2.176 4.010 1.00 0.00 C ATOM 1536 CE2 TYR A 101 -7.654 4.516 3.562 1.00 0.00 C ATOM 1537 CZ TYR A 101 -7.790 3.212 3.150 1.00 0.00 C ATOM 1538 OH TYR A 101 -8.222 2.942 1.871 1.00 0.00 O ATOM 0 H TYR A 101 -4.864 2.479 8.937 1.00 0.00 H new ATOM 0 HA TYR A 101 -4.425 3.786 6.325 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -6.958 3.481 7.841 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -6.591 5.123 7.349 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -6.809 1.647 5.963 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -7.102 5.818 5.155 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -7.588 1.151 3.685 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -7.895 5.324 2.887 1.00 0.00 H new ATOM 0 HH TYR A 101 -8.348 3.783 1.384 1.00 0.00 H new ATOM 1548 N LEU A 102 -3.875 5.995 7.495 1.00 0.00 N ATOM 1549 CA LEU A 102 -3.236 7.109 8.190 1.00 0.00 C ATOM 1550 C LEU A 102 -4.226 8.247 8.431 1.00 0.00 C ATOM 1551 O LEU A 102 -4.835 8.761 7.493 1.00 0.00 O ATOM 1552 CB LEU A 102 -2.043 7.628 7.380 1.00 0.00 C ATOM 1553 CG LEU A 102 -0.696 7.005 7.736 1.00 0.00 C ATOM 1554 CD1 LEU A 102 -0.781 5.494 7.713 1.00 0.00 C ATOM 1555 CD2 LEU A 102 0.373 7.482 6.773 1.00 0.00 C ATOM 0 H LEU A 102 -4.002 6.138 6.493 1.00 0.00 H new ATOM 0 HA LEU A 102 -2.886 6.743 9.155 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.238 7.452 6.322 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.974 8.707 7.516 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.429 7.319 8.745 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.190 5.071 7.970 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.525 5.160 8.437 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -1.070 5.161 6.716 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.329 7.030 7.038 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.104 7.192 5.757 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.456 8.567 6.830 1.00 0.00 H new ATOM 1567 N PRO A 103 -4.401 8.660 9.699 1.00 0.00 N ATOM 1568 CA PRO A 103 -5.325 9.740 10.053 1.00 0.00 C ATOM 1569 C PRO A 103 -4.841 11.103 9.570 1.00 0.00 C ATOM 1570 O PRO A 103 -5.546 11.797 8.837 1.00 0.00 O ATOM 1571 CB PRO A 103 -5.367 9.694 11.583 1.00 0.00 C ATOM 1572 CG PRO A 103 -4.088 9.045 11.993 1.00 0.00 C ATOM 1573 CD PRO A 103 -3.714 8.104 10.881 1.00 0.00 C ATOM 0 HA PRO A 103 -6.301 9.606 9.586 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -5.452 10.696 12.004 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -6.227 9.125 11.936 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -3.308 9.790 12.151 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -4.209 8.507 12.933 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -2.634 8.067 10.735 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -4.042 7.086 11.092 1.00 0.00 H new ATOM 1581 N LYS A 104 -3.639 11.481 9.984 1.00 0.00 N ATOM 1582 CA LYS A 104 -3.070 12.764 9.585 1.00 0.00 C ATOM 1583 C LYS A 104 -1.618 12.614 9.124 1.00 0.00 C ATOM 1584 O LYS A 104 -1.285 12.999 8.004 1.00 0.00 O ATOM 1585 CB LYS A 104 -3.176 13.784 10.723 1.00 0.00 C ATOM 1586 CG LYS A 104 -3.113 15.227 10.248 1.00 0.00 C ATOM 1587 CD LYS A 104 -3.443 16.199 11.368 1.00 0.00 C ATOM 1588 CE LYS A 104 -4.931 16.507 11.419 1.00 0.00 C ATOM 1589 NZ LYS A 104 -5.720 15.364 11.953 1.00 0.00 N ATOM 0 H LYS A 104 -3.041 10.922 10.593 1.00 0.00 H new ATOM 0 HA LYS A 104 -3.649 13.133 8.738 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -4.113 13.626 11.257 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.370 13.608 11.435 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.116 15.440 9.862 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.811 15.370 9.424 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -3.125 15.778 12.322 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -2.884 17.124 11.225 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -5.098 17.385 12.043 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -5.284 16.755 10.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -6.575 15.722 12.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -5.994 14.736 11.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -5.144 14.834 12.637 1.00 0.00 H new ATOM 1603 N PRO A 105 -0.722 12.051 9.966 1.00 0.00 N ATOM 1604 CA PRO A 105 0.682 11.869 9.589 1.00 0.00 C ATOM 1605 C PRO A 105 0.823 11.035 8.321 1.00 0.00 C ATOM 1606 O PRO A 105 -0.090 10.301 7.946 1.00 0.00 O ATOM 1607 CB PRO A 105 1.291 11.133 10.786 1.00 0.00 C ATOM 1608 CG PRO A 105 0.386 11.448 11.923 1.00 0.00 C ATOM 1609 CD PRO A 105 -0.990 11.544 11.327 1.00 0.00 C ATOM 0 HA PRO A 105 1.173 12.817 9.372 1.00 0.00 H new ATOM 0 HB2 PRO A 105 1.342 10.059 10.606 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.308 11.472 10.984 1.00 0.00 H new ATOM 0 HG2 PRO A 105 0.430 10.671 12.686 1.00 0.00 H new ATOM 0 HG3 PRO A 105 0.671 12.384 12.404 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -1.491 10.576 11.307 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -1.629 12.222 11.893 1.00 0.00 H new ATOM 1617 N PHE A 106 1.974 11.148 7.671 1.00 0.00 N ATOM 1618 CA PHE A 106 2.235 10.398 6.448 1.00 0.00 C ATOM 1619 C PHE A 106 3.729 10.441 6.110 1.00 0.00 C ATOM 1620 O PHE A 106 4.525 9.770 6.761 1.00 0.00 O ATOM 1621 CB PHE A 106 1.393 10.944 5.283 1.00 0.00 C ATOM 1622 CG PHE A 106 1.591 10.186 3.994 1.00 0.00 C ATOM 1623 CD1 PHE A 106 1.210 8.860 3.895 1.00 0.00 C ATOM 1624 CD2 PHE A 106 2.167 10.794 2.889 1.00 0.00 C ATOM 1625 CE1 PHE A 106 1.398 8.151 2.726 1.00 0.00 C ATOM 1626 CE2 PHE A 106 2.357 10.091 1.714 1.00 0.00 C ATOM 1627 CZ PHE A 106 1.972 8.767 1.633 1.00 0.00 C ATOM 0 H PHE A 106 2.741 11.751 7.969 1.00 0.00 H new ATOM 0 HA PHE A 106 1.947 9.359 6.610 1.00 0.00 H new ATOM 0 HB2 PHE A 106 0.339 10.909 5.558 1.00 0.00 H new ATOM 0 HB3 PHE A 106 1.645 11.992 5.122 1.00 0.00 H new ATOM 0 HD1 PHE A 106 0.758 8.372 4.746 1.00 0.00 H new ATOM 0 HD2 PHE A 106 2.471 11.829 2.947 1.00 0.00 H new ATOM 0 HE1 PHE A 106 1.096 7.116 2.667 1.00 0.00 H new ATOM 0 HE2 PHE A 106 2.806 10.577 0.860 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.120 8.215 0.716 1.00 0.00 H new ATOM 1637 N ASP A 107 4.111 11.229 5.099 1.00 0.00 N ATOM 1638 CA ASP A 107 5.513 11.343 4.686 1.00 0.00 C ATOM 1639 C ASP A 107 6.206 9.978 4.686 1.00 0.00 C ATOM 1640 O ASP A 107 5.604 8.964 5.028 1.00 0.00 O ATOM 1641 CB ASP A 107 6.267 12.308 5.604 1.00 0.00 C ATOM 1642 CG ASP A 107 6.329 11.819 7.037 1.00 0.00 C ATOM 1643 OD1 ASP A 107 6.833 10.698 7.261 1.00 0.00 O ATOM 1644 OD2 ASP A 107 5.876 12.557 7.936 1.00 0.00 O ATOM 0 H ASP A 107 3.466 11.798 4.551 1.00 0.00 H new ATOM 0 HA ASP A 107 5.526 11.734 3.669 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.280 12.446 5.227 1.00 0.00 H new ATOM 0 HB3 ASP A 107 5.781 13.283 5.577 1.00 0.00 H new ATOM 1649 N ILE A 108 7.472 9.952 4.302 1.00 0.00 N ATOM 1650 CA ILE A 108 8.210 8.697 4.279 1.00 0.00 C ATOM 1651 C ILE A 108 8.435 8.168 5.686 1.00 0.00 C ATOM 1652 O ILE A 108 8.328 6.966 5.934 1.00 0.00 O ATOM 1653 CB ILE A 108 9.551 8.832 3.527 1.00 0.00 C ATOM 1654 CG1 ILE A 108 9.521 7.961 2.278 1.00 0.00 C ATOM 1655 CG2 ILE A 108 10.731 8.437 4.405 1.00 0.00 C ATOM 1656 CD1 ILE A 108 8.407 8.316 1.319 1.00 0.00 C ATOM 0 H ILE A 108 8.004 10.770 4.006 1.00 0.00 H new ATOM 0 HA ILE A 108 7.599 7.977 3.735 1.00 0.00 H new ATOM 0 HB ILE A 108 9.681 9.878 3.250 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.476 8.049 1.761 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.415 6.918 2.575 1.00 0.00 H new ATOM 0 HG21 ILE A 108 11.657 8.545 3.840 1.00 0.00 H new ATOM 0 HG22 ILE A 108 10.764 9.082 5.283 1.00 0.00 H new ATOM 0 HG23 ILE A 108 10.618 7.400 4.721 1.00 0.00 H new ATOM 0 HD11 ILE A 108 8.448 7.655 0.453 1.00 0.00 H new ATOM 0 HD12 ILE A 108 7.446 8.200 1.819 1.00 0.00 H new ATOM 0 HD13 ILE A 108 8.524 9.349 0.992 1.00 0.00 H new ATOM 1668 N ASP A 109 8.756 9.067 6.595 1.00 0.00 N ATOM 1669 CA ASP A 109 9.013 8.695 7.985 1.00 0.00 C ATOM 1670 C ASP A 109 7.908 7.803 8.541 1.00 0.00 C ATOM 1671 O ASP A 109 8.172 6.688 8.979 1.00 0.00 O ATOM 1672 CB ASP A 109 9.158 9.944 8.852 1.00 0.00 C ATOM 1673 CG ASP A 109 9.775 9.636 10.201 1.00 0.00 C ATOM 1674 OD1 ASP A 109 10.544 8.657 10.293 1.00 0.00 O ATOM 1675 OD2 ASP A 109 9.490 10.374 11.168 1.00 0.00 O ATOM 0 H ASP A 109 8.847 10.064 6.402 1.00 0.00 H new ATOM 0 HA ASP A 109 9.945 8.131 8.007 1.00 0.00 H new ATOM 0 HB2 ASP A 109 9.775 10.676 8.331 1.00 0.00 H new ATOM 0 HB3 ASP A 109 8.178 10.399 8.998 1.00 0.00 H new ATOM 1680 N GLU A 110 6.672 8.295 8.530 1.00 0.00 N ATOM 1681 CA GLU A 110 5.546 7.527 9.046 1.00 0.00 C ATOM 1682 C GLU A 110 5.119 6.440 8.067 1.00 0.00 C ATOM 1683 O GLU A 110 4.668 5.369 8.474 1.00 0.00 O ATOM 1684 CB GLU A 110 4.361 8.443 9.368 1.00 0.00 C ATOM 1685 CG GLU A 110 4.635 9.421 10.498 1.00 0.00 C ATOM 1686 CD GLU A 110 4.557 8.767 11.864 1.00 0.00 C ATOM 1687 OE1 GLU A 110 3.454 8.745 12.450 1.00 0.00 O ATOM 1688 OE2 GLU A 110 5.600 8.279 12.349 1.00 0.00 O ATOM 0 H GLU A 110 6.427 9.218 8.171 1.00 0.00 H new ATOM 0 HA GLU A 110 5.875 7.045 9.967 1.00 0.00 H new ATOM 0 HB2 GLU A 110 4.092 9.003 8.472 1.00 0.00 H new ATOM 0 HB3 GLU A 110 3.500 7.829 9.631 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.625 9.858 10.364 1.00 0.00 H new ATOM 0 HG3 GLU A 110 3.916 10.239 10.449 1.00 0.00 H new ATOM 1695 N ALA A 111 5.267 6.713 6.779 1.00 0.00 N ATOM 1696 CA ALA A 111 4.899 5.747 5.754 1.00 0.00 C ATOM 1697 C ALA A 111 5.803 4.524 5.828 1.00 0.00 C ATOM 1698 O ALA A 111 5.336 3.407 6.054 1.00 0.00 O ATOM 1699 CB ALA A 111 4.955 6.381 4.374 1.00 0.00 C ATOM 0 H ALA A 111 5.638 7.592 6.419 1.00 0.00 H new ATOM 0 HA ALA A 111 3.873 5.425 5.934 1.00 0.00 H new ATOM 0 HB1 ALA A 111 4.677 5.642 3.623 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.262 7.221 4.331 1.00 0.00 H new ATOM 0 HB3 ALA A 111 5.967 6.735 4.177 1.00 0.00 H new ATOM 1705 N VAL A 112 7.105 4.741 5.656 1.00 0.00 N ATOM 1706 CA VAL A 112 8.070 3.651 5.727 1.00 0.00 C ATOM 1707 C VAL A 112 8.015 2.979 7.093 1.00 0.00 C ATOM 1708 O VAL A 112 8.254 1.783 7.231 1.00 0.00 O ATOM 1709 CB VAL A 112 9.506 4.135 5.464 1.00 0.00 C ATOM 1710 CG1 VAL A 112 10.469 2.955 5.470 1.00 0.00 C ATOM 1711 CG2 VAL A 112 9.581 4.890 4.145 1.00 0.00 C ATOM 0 H VAL A 112 7.513 5.657 5.468 1.00 0.00 H new ATOM 0 HA VAL A 112 7.799 2.937 4.949 1.00 0.00 H new ATOM 0 HB VAL A 112 9.797 4.819 6.262 1.00 0.00 H new ATOM 0 HG11 VAL A 112 11.482 3.311 5.283 1.00 0.00 H new ATOM 0 HG12 VAL A 112 10.432 2.460 6.440 1.00 0.00 H new ATOM 0 HG13 VAL A 112 10.183 2.248 4.691 1.00 0.00 H new ATOM 0 HG21 VAL A 112 10.604 5.225 3.975 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.275 4.232 3.331 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.918 5.754 4.182 1.00 0.00 H new ATOM 1721 N ALA A 113 7.680 3.766 8.097 1.00 0.00 N ATOM 1722 CA ALA A 113 7.565 3.261 9.454 1.00 0.00 C ATOM 1723 C ALA A 113 6.447 2.235 9.534 1.00 0.00 C ATOM 1724 O ALA A 113 6.592 1.171 10.133 1.00 0.00 O ATOM 1725 CB ALA A 113 7.279 4.403 10.404 1.00 0.00 C ATOM 0 H ALA A 113 7.482 4.762 7.999 1.00 0.00 H new ATOM 0 HA ALA A 113 8.505 2.786 9.736 1.00 0.00 H new ATOM 0 HB1 ALA A 113 7.194 4.018 11.420 1.00 0.00 H new ATOM 0 HB2 ALA A 113 8.092 5.127 10.357 1.00 0.00 H new ATOM 0 HB3 ALA A 113 6.345 4.887 10.120 1.00 0.00 H new ATOM 1731 N LEU A 114 5.322 2.587 8.926 1.00 0.00 N ATOM 1732 CA LEU A 114 4.148 1.736 8.914 1.00 0.00 C ATOM 1733 C LEU A 114 4.290 0.598 7.910 1.00 0.00 C ATOM 1734 O LEU A 114 3.630 -0.434 8.041 1.00 0.00 O ATOM 1735 CB LEU A 114 2.914 2.587 8.603 1.00 0.00 C ATOM 1736 CG LEU A 114 1.565 1.868 8.670 1.00 0.00 C ATOM 1737 CD1 LEU A 114 1.216 1.510 10.105 1.00 0.00 C ATOM 1738 CD2 LEU A 114 0.475 2.742 8.068 1.00 0.00 C ATOM 0 H LEU A 114 5.201 3.470 8.429 1.00 0.00 H new ATOM 0 HA LEU A 114 4.037 1.280 9.898 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.891 3.425 9.300 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.030 3.006 7.604 1.00 0.00 H new ATOM 0 HG LEU A 114 1.639 0.945 8.094 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.253 1.000 10.129 1.00 0.00 H new ATOM 0 HD12 LEU A 114 1.985 0.854 10.514 1.00 0.00 H new ATOM 0 HD13 LEU A 114 1.160 2.419 10.703 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -0.481 2.220 8.121 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.409 3.677 8.625 1.00 0.00 H new ATOM 0 HD23 LEU A 114 0.714 2.956 7.026 1.00 0.00 H new ATOM 1750 N VAL A 115 5.151 0.772 6.910 1.00 0.00 N ATOM 1751 CA VAL A 115 5.348 -0.277 5.910 1.00 0.00 C ATOM 1752 C VAL A 115 6.265 -1.379 6.432 1.00 0.00 C ATOM 1753 O VAL A 115 6.016 -2.562 6.199 1.00 0.00 O ATOM 1754 CB VAL A 115 5.891 0.257 4.561 1.00 0.00 C ATOM 1755 CG1 VAL A 115 7.373 0.589 4.642 1.00 0.00 C ATOM 1756 CG2 VAL A 115 5.637 -0.763 3.460 1.00 0.00 C ATOM 0 H VAL A 115 5.714 1.611 6.770 1.00 0.00 H new ATOM 0 HA VAL A 115 4.357 -0.689 5.722 1.00 0.00 H new ATOM 0 HB VAL A 115 5.361 1.181 4.328 1.00 0.00 H new ATOM 0 HG11 VAL A 115 7.716 0.960 3.676 1.00 0.00 H new ATOM 0 HG12 VAL A 115 7.534 1.353 5.402 1.00 0.00 H new ATOM 0 HG13 VAL A 115 7.933 -0.308 4.905 1.00 0.00 H new ATOM 0 HG21 VAL A 115 6.021 -0.381 2.514 1.00 0.00 H new ATOM 0 HG22 VAL A 115 6.142 -1.697 3.706 1.00 0.00 H new ATOM 0 HG23 VAL A 115 4.566 -0.942 3.370 1.00 0.00 H new ATOM 1766 N GLU A 116 7.324 -0.988 7.136 1.00 0.00 N ATOM 1767 CA GLU A 116 8.272 -1.953 7.686 1.00 0.00 C ATOM 1768 C GLU A 116 7.622 -2.794 8.779 1.00 0.00 C ATOM 1769 O GLU A 116 7.729 -4.021 8.775 1.00 0.00 O ATOM 1770 CB GLU A 116 9.508 -1.243 8.245 1.00 0.00 C ATOM 1771 CG GLU A 116 10.372 -0.595 7.179 1.00 0.00 C ATOM 1772 CD GLU A 116 11.736 -0.194 7.705 1.00 0.00 C ATOM 1773 OE1 GLU A 116 11.796 0.414 8.795 1.00 0.00 O ATOM 1774 OE2 GLU A 116 12.744 -0.490 7.030 1.00 0.00 O ATOM 0 H GLU A 116 7.547 -0.013 7.339 1.00 0.00 H new ATOM 0 HA GLU A 116 8.581 -2.612 6.875 1.00 0.00 H new ATOM 0 HB2 GLU A 116 9.188 -0.480 8.955 1.00 0.00 H new ATOM 0 HB3 GLU A 116 10.110 -1.963 8.800 1.00 0.00 H new ATOM 0 HG2 GLU A 116 10.496 -1.287 6.346 1.00 0.00 H new ATOM 0 HG3 GLU A 116 9.863 0.286 6.789 1.00 0.00 H new ATOM 1781 N ARG A 117 6.947 -2.130 9.715 1.00 0.00 N ATOM 1782 CA ARG A 117 6.283 -2.831 10.809 1.00 0.00 C ATOM 1783 C ARG A 117 5.252 -3.822 10.272 1.00 0.00 C ATOM 1784 O ARG A 117 4.902 -4.793 10.942 1.00 0.00 O ATOM 1785 CB ARG A 117 5.637 -1.838 11.788 1.00 0.00 C ATOM 1786 CG ARG A 117 4.535 -0.979 11.188 1.00 0.00 C ATOM 1787 CD ARG A 117 3.880 -0.100 12.248 1.00 0.00 C ATOM 1788 NE ARG A 117 4.374 1.277 12.202 1.00 0.00 N ATOM 1789 CZ ARG A 117 5.315 1.766 13.008 1.00 0.00 C ATOM 1790 NH1 ARG A 117 5.811 1.030 13.993 1.00 0.00 N ATOM 1791 NH2 ARG A 117 5.746 3.007 12.839 1.00 0.00 N ATOM 0 H ARG A 117 6.846 -1.115 9.737 1.00 0.00 H new ATOM 0 HA ARG A 117 7.038 -3.395 11.357 1.00 0.00 H new ATOM 0 HB2 ARG A 117 5.227 -2.395 12.631 1.00 0.00 H new ATOM 0 HB3 ARG A 117 6.413 -1.184 12.185 1.00 0.00 H new ATOM 0 HG2 ARG A 117 4.949 -0.353 10.398 1.00 0.00 H new ATOM 0 HG3 ARG A 117 3.782 -1.619 10.727 1.00 0.00 H new ATOM 0 HD2 ARG A 117 2.800 -0.102 12.103 1.00 0.00 H new ATOM 0 HD3 ARG A 117 4.070 -0.520 13.235 1.00 0.00 H new ATOM 0 HE ARG A 117 3.971 1.904 11.506 1.00 0.00 H new ATOM 0 HH11 ARG A 117 5.472 0.079 14.140 1.00 0.00 H new ATOM 0 HH12 ARG A 117 6.531 1.415 14.604 1.00 0.00 H new ATOM 0 HH21 ARG A 117 5.357 3.585 12.094 1.00 0.00 H new ATOM 0 HH22 ARG A 117 6.466 3.385 13.454 1.00 0.00 H new ATOM 1805 N ALA A 118 4.777 -3.575 9.055 1.00 0.00 N ATOM 1806 CA ALA A 118 3.799 -4.446 8.421 1.00 0.00 C ATOM 1807 C ALA A 118 4.435 -5.765 7.986 1.00 0.00 C ATOM 1808 O ALA A 118 3.867 -6.839 8.190 1.00 0.00 O ATOM 1809 CB ALA A 118 3.166 -3.749 7.226 1.00 0.00 C ATOM 0 H ALA A 118 5.056 -2.775 8.488 1.00 0.00 H new ATOM 0 HA ALA A 118 3.023 -4.669 9.153 1.00 0.00 H new ATOM 0 HB1 ALA A 118 2.437 -4.413 6.762 1.00 0.00 H new ATOM 0 HB2 ALA A 118 2.668 -2.838 7.558 1.00 0.00 H new ATOM 0 HB3 ALA A 118 3.939 -3.496 6.501 1.00 0.00 H new ATOM 1815 N ILE A 119 5.617 -5.674 7.380 1.00 0.00 N ATOM 1816 CA ILE A 119 6.333 -6.853 6.908 1.00 0.00 C ATOM 1817 C ILE A 119 6.904 -7.655 8.070 1.00 0.00 C ATOM 1818 O ILE A 119 7.011 -8.880 8.005 1.00 0.00 O ATOM 1819 CB ILE A 119 7.481 -6.462 5.960 1.00 0.00 C ATOM 1820 CG1 ILE A 119 6.983 -5.499 4.886 1.00 0.00 C ATOM 1821 CG2 ILE A 119 8.096 -7.695 5.318 1.00 0.00 C ATOM 1822 CD1 ILE A 119 7.987 -4.424 4.543 1.00 0.00 C ATOM 0 H ILE A 119 6.099 -4.792 7.205 1.00 0.00 H new ATOM 0 HA ILE A 119 5.612 -7.467 6.369 1.00 0.00 H new ATOM 0 HB ILE A 119 8.250 -5.962 6.548 1.00 0.00 H new ATOM 0 HG12 ILE A 119 6.741 -6.063 3.985 1.00 0.00 H new ATOM 0 HG13 ILE A 119 6.060 -5.030 5.226 1.00 0.00 H new ATOM 0 HG21 ILE A 119 8.905 -7.394 4.652 1.00 0.00 H new ATOM 0 HG22 ILE A 119 8.490 -8.351 6.094 1.00 0.00 H new ATOM 0 HG23 ILE A 119 7.335 -8.226 4.746 1.00 0.00 H new ATOM 0 HD11 ILE A 119 7.573 -3.772 3.774 1.00 0.00 H new ATOM 0 HD12 ILE A 119 8.211 -3.837 5.434 1.00 0.00 H new ATOM 0 HD13 ILE A 119 8.903 -4.886 4.173 1.00 0.00 H new ATOM 1834 N SER A 120 7.269 -6.952 9.129 1.00 0.00 N ATOM 1835 CA SER A 120 7.833 -7.581 10.312 1.00 0.00 C ATOM 1836 C SER A 120 6.763 -8.349 11.079 1.00 0.00 C ATOM 1837 O SER A 120 6.969 -9.499 11.469 1.00 0.00 O ATOM 1838 CB SER A 120 8.471 -6.528 11.218 1.00 0.00 C ATOM 1839 OG SER A 120 9.477 -7.098 12.035 1.00 0.00 O ATOM 0 H SER A 120 7.184 -5.938 9.194 1.00 0.00 H new ATOM 0 HA SER A 120 8.600 -8.285 9.990 1.00 0.00 H new ATOM 0 HB2 SER A 120 8.901 -5.733 10.609 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.705 -6.071 11.845 1.00 0.00 H new ATOM 0 HG SER A 120 9.870 -6.403 12.603 1.00 0.00 H new ATOM 1845 N HIS A 121 5.621 -7.707 11.290 1.00 0.00 N ATOM 1846 CA HIS A 121 4.515 -8.326 12.007 1.00 0.00 C ATOM 1847 C HIS A 121 3.953 -9.513 11.230 1.00 0.00 C ATOM 1848 O HIS A 121 3.356 -10.421 11.806 1.00 0.00 O ATOM 1849 CB HIS A 121 3.413 -7.298 12.262 1.00 0.00 C ATOM 1850 CG HIS A 121 3.768 -6.291 13.313 1.00 0.00 C ATOM 1851 ND1 HIS A 121 4.903 -6.383 14.091 1.00 0.00 N ATOM 1852 CD2 HIS A 121 3.130 -5.163 13.712 1.00 0.00 C ATOM 1853 CE1 HIS A 121 4.949 -5.357 14.922 1.00 0.00 C ATOM 1854 NE2 HIS A 121 3.886 -4.602 14.712 1.00 0.00 N ATOM 0 H HIS A 121 5.437 -6.755 10.973 1.00 0.00 H new ATOM 0 HA HIS A 121 4.892 -8.692 12.962 1.00 0.00 H new ATOM 0 HB2 HIS A 121 3.190 -6.777 11.331 1.00 0.00 H new ATOM 0 HB3 HIS A 121 2.503 -7.819 12.561 1.00 0.00 H new ATOM 0 HD2 HIS A 121 2.201 -4.778 13.317 1.00 0.00 H new ATOM 0 HE1 HIS A 121 5.724 -5.168 15.650 1.00 0.00 H new ATOM 0 HE2 HIS A 121 3.663 -3.741 15.212 1.00 0.00 H new