USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 744 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 51 GLN : amide:sc= -0.2 X(o=-0.032,f=-0.31) USER MOD Set 1.2: A 88 GLN : amide:sc= 0.169 K(o=-0.032,f=-2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 149:sc= -0.144 (180deg=-0.591) USER MOD Single : A 5 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.018) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -156:sc= -0.35 (180deg=-1.25) USER MOD Single : A 12 THR OG1 : rot 50:sc= 0.655 USER MOD Single : A 14 ASN : amide:sc= -0.228 X(o=-0.23,f=-0.21) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 HIS : no HD1:sc= -0.332 X(o=-0.33,f=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.564 K(o=-0.56,f=-2!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.0923 X(o=-0.092,f=-0.53) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00128) USER MOD Single : A 37 HIS : no HD1:sc= -0.764 X(o=-0.76,f=-1.2) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.39 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -135:sc= -0.438 (180deg=-1.67!) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 0:sc= -2.88! USER MOD Single : A 48 CYS SG : rot 178:sc= -0.43 USER MOD Single : A 54 SER OG : rot 55:sc= -0.0523 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.579 K(o=-0.58,f=-3.2) USER MOD Single : A 65 GLN : amide:sc= -0.14 K(o=-0.14,f=-1.3) USER MOD Single : A 68 ASN : amide:sc= -0.153 K(o=-0.15,f=-0.99) USER MOD Single : A 70 THR OG1 : rot -47:sc= 0.887 USER MOD Single : A 72 THR OG1 : rot 180:sc=-0.00443 USER MOD Single : A 75 GLN : amide:sc= -0.0111 K(o=-0.011,f=-1.4) USER MOD Single : A 78 MET CE :methyl -178:sc= -1.94! (180deg=-1.96!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.897 K(o=-0.9,f=-5.1!) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 THR OG1 : rot -62:sc= 0.678 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 28.685 20.822 -22.351 1.00 0.00 N ATOM 2 CA MET A 1 27.329 20.292 -22.433 1.00 0.00 C ATOM 3 C MET A 1 27.269 18.865 -21.898 1.00 0.00 C ATOM 4 O MET A 1 28.301 18.237 -21.663 1.00 0.00 O ATOM 5 CB MET A 1 26.830 20.329 -23.879 1.00 0.00 C ATOM 6 CG MET A 1 27.796 19.702 -24.871 1.00 0.00 C ATOM 7 SD MET A 1 27.263 19.902 -26.581 1.00 0.00 S ATOM 8 CE MET A 1 28.728 19.362 -27.458 1.00 0.00 C ATOM 0 H1 MET A 1 28.842 21.496 -23.128 1.00 0.00 H new ATOM 0 H2 MET A 1 28.813 21.307 -21.440 1.00 0.00 H new ATOM 0 H3 MET A 1 29.368 20.041 -22.427 1.00 0.00 H new ATOM 0 HA MET A 1 26.683 20.919 -21.818 1.00 0.00 H new ATOM 0 HB2 MET A 1 25.873 19.810 -23.938 1.00 0.00 H new ATOM 0 HB3 MET A 1 26.649 21.365 -24.166 1.00 0.00 H new ATOM 0 HG2 MET A 1 28.781 20.152 -24.747 1.00 0.00 H new ATOM 0 HG3 MET A 1 27.900 18.640 -24.649 1.00 0.00 H new ATOM 0 HE1 MET A 1 28.554 19.428 -28.532 1.00 0.00 H new ATOM 0 HE2 MET A 1 29.570 19.999 -27.187 1.00 0.00 H new ATOM 0 HE3 MET A 1 28.953 18.330 -27.190 1.00 0.00 H new ATOM 18 N ALA A 2 26.055 18.359 -21.708 1.00 0.00 N ATOM 19 CA ALA A 2 25.862 17.006 -21.202 1.00 0.00 C ATOM 20 C ALA A 2 26.605 16.800 -19.887 1.00 0.00 C ATOM 21 O ALA A 2 27.252 15.773 -19.682 1.00 0.00 O ATOM 22 CB ALA A 2 26.321 15.987 -22.235 1.00 0.00 C ATOM 0 H ALA A 2 25.190 18.866 -21.897 1.00 0.00 H new ATOM 0 HA ALA A 2 24.798 16.863 -21.013 1.00 0.00 H new ATOM 0 HB1 ALA A 2 26.171 14.980 -21.845 1.00 0.00 H new ATOM 0 HB2 ALA A 2 25.742 16.111 -23.150 1.00 0.00 H new ATOM 0 HB3 ALA A 2 27.379 16.139 -22.451 1.00 0.00 H new ATOM 28 N ASP A 3 26.507 17.782 -18.998 1.00 0.00 N ATOM 29 CA ASP A 3 27.170 17.709 -17.701 1.00 0.00 C ATOM 30 C ASP A 3 26.147 17.655 -16.570 1.00 0.00 C ATOM 31 O ASP A 3 26.422 18.086 -15.451 1.00 0.00 O ATOM 32 CB ASP A 3 28.098 18.909 -17.509 1.00 0.00 C ATOM 33 CG ASP A 3 29.243 18.610 -16.561 1.00 0.00 C ATOM 34 OD1 ASP A 3 29.003 18.564 -15.337 1.00 0.00 O ATOM 35 OD2 ASP A 3 30.379 18.422 -17.044 1.00 0.00 O ATOM 0 H ASP A 3 25.975 18.638 -19.152 1.00 0.00 H new ATOM 0 HA ASP A 3 27.763 16.795 -17.675 1.00 0.00 H new ATOM 0 HB2 ASP A 3 28.500 19.212 -18.476 1.00 0.00 H new ATOM 0 HB3 ASP A 3 27.523 19.752 -17.125 1.00 0.00 H new ATOM 40 N GLU A 4 24.966 17.125 -16.872 1.00 0.00 N ATOM 41 CA GLU A 4 23.902 17.018 -15.881 1.00 0.00 C ATOM 42 C GLU A 4 23.618 15.557 -15.543 1.00 0.00 C ATOM 43 O GLU A 4 23.726 14.677 -16.398 1.00 0.00 O ATOM 44 CB GLU A 4 22.627 17.691 -16.394 1.00 0.00 C ATOM 45 CG GLU A 4 22.596 19.192 -16.162 1.00 0.00 C ATOM 46 CD GLU A 4 22.093 19.559 -14.780 1.00 0.00 C ATOM 47 OE1 GLU A 4 20.862 19.527 -14.569 1.00 0.00 O ATOM 48 OE2 GLU A 4 22.929 19.877 -13.909 1.00 0.00 O ATOM 0 H GLU A 4 24.722 16.763 -17.794 1.00 0.00 H new ATOM 0 HA GLU A 4 24.233 17.525 -14.975 1.00 0.00 H new ATOM 0 HB2 GLU A 4 22.527 17.495 -17.461 1.00 0.00 H new ATOM 0 HB3 GLU A 4 21.765 17.238 -15.904 1.00 0.00 H new ATOM 0 HG2 GLU A 4 23.598 19.598 -16.299 1.00 0.00 H new ATOM 0 HG3 GLU A 4 21.958 19.659 -16.912 1.00 0.00 H new ATOM 55 N LYS A 5 23.255 15.305 -14.290 1.00 0.00 N ATOM 56 CA LYS A 5 22.955 13.952 -13.837 1.00 0.00 C ATOM 57 C LYS A 5 21.517 13.852 -13.339 1.00 0.00 C ATOM 58 O LYS A 5 21.256 13.734 -12.141 1.00 0.00 O ATOM 59 CB LYS A 5 23.921 13.539 -12.724 1.00 0.00 C ATOM 60 CG LYS A 5 25.287 13.110 -13.233 1.00 0.00 C ATOM 61 CD LYS A 5 26.166 14.309 -13.547 1.00 0.00 C ATOM 62 CE LYS A 5 27.637 13.925 -13.589 1.00 0.00 C ATOM 63 NZ LYS A 5 27.920 12.926 -14.656 1.00 0.00 N ATOM 0 H LYS A 5 23.161 16.021 -13.569 1.00 0.00 H new ATOM 0 HA LYS A 5 23.076 13.277 -14.684 1.00 0.00 H new ATOM 0 HB2 LYS A 5 24.045 14.373 -12.034 1.00 0.00 H new ATOM 0 HB3 LYS A 5 23.480 12.719 -12.157 1.00 0.00 H new ATOM 0 HG2 LYS A 5 25.775 12.485 -12.485 1.00 0.00 H new ATOM 0 HG3 LYS A 5 25.168 12.500 -14.129 1.00 0.00 H new ATOM 0 HD2 LYS A 5 25.873 14.736 -14.506 1.00 0.00 H new ATOM 0 HD3 LYS A 5 26.012 15.082 -12.794 1.00 0.00 H new ATOM 0 HE2 LYS A 5 28.240 14.817 -13.758 1.00 0.00 H new ATOM 0 HE3 LYS A 5 27.934 13.518 -12.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 28.947 12.779 -14.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 27.458 12.025 -14.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 27.553 13.275 -15.564 1.00 0.00 H new ATOM 77 N PRO A 6 20.560 13.898 -14.278 1.00 0.00 N ATOM 78 CA PRO A 6 19.132 13.812 -13.957 1.00 0.00 C ATOM 79 C PRO A 6 18.729 12.423 -13.475 1.00 0.00 C ATOM 80 O PRO A 6 18.546 11.505 -14.276 1.00 0.00 O ATOM 81 CB PRO A 6 18.450 14.135 -15.289 1.00 0.00 C ATOM 82 CG PRO A 6 19.450 13.759 -16.328 1.00 0.00 C ATOM 83 CD PRO A 6 20.799 14.038 -15.724 1.00 0.00 C ATOM 0 HA PRO A 6 18.855 14.485 -13.146 1.00 0.00 H new ATOM 0 HB2 PRO A 6 17.525 13.571 -15.407 1.00 0.00 H new ATOM 0 HB3 PRO A 6 18.189 15.191 -15.354 1.00 0.00 H new ATOM 0 HG2 PRO A 6 19.354 12.708 -16.600 1.00 0.00 H new ATOM 0 HG3 PRO A 6 19.303 14.339 -17.239 1.00 0.00 H new ATOM 0 HD2 PRO A 6 21.551 13.333 -16.077 1.00 0.00 H new ATOM 0 HD3 PRO A 6 21.154 15.037 -15.978 1.00 0.00 H new ATOM 91 N LYS A 7 18.591 12.274 -12.162 1.00 0.00 N ATOM 92 CA LYS A 7 18.207 10.997 -11.573 1.00 0.00 C ATOM 93 C LYS A 7 16.899 11.126 -10.800 1.00 0.00 C ATOM 94 O LYS A 7 16.826 10.775 -9.622 1.00 0.00 O ATOM 95 CB LYS A 7 19.312 10.488 -10.644 1.00 0.00 C ATOM 96 CG LYS A 7 19.723 11.492 -9.581 1.00 0.00 C ATOM 97 CD LYS A 7 20.217 10.800 -8.321 1.00 0.00 C ATOM 98 CE LYS A 7 20.766 11.799 -7.315 1.00 0.00 C ATOM 99 NZ LYS A 7 19.680 12.563 -6.642 1.00 0.00 N ATOM 0 H LYS A 7 18.740 13.023 -11.485 1.00 0.00 H new ATOM 0 HA LYS A 7 18.062 10.281 -12.382 1.00 0.00 H new ATOM 0 HB2 LYS A 7 18.973 9.574 -10.157 1.00 0.00 H new ATOM 0 HB3 LYS A 7 20.185 10.226 -11.241 1.00 0.00 H new ATOM 0 HG2 LYS A 7 20.508 12.138 -9.974 1.00 0.00 H new ATOM 0 HG3 LYS A 7 18.875 12.132 -9.337 1.00 0.00 H new ATOM 0 HD2 LYS A 7 19.399 10.239 -7.869 1.00 0.00 H new ATOM 0 HD3 LYS A 7 20.993 10.080 -8.581 1.00 0.00 H new ATOM 0 HE2 LYS A 7 21.357 11.272 -6.566 1.00 0.00 H new ATOM 0 HE3 LYS A 7 21.438 12.492 -7.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 20.096 13.233 -5.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 19.131 13.086 -7.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 19.053 11.904 -6.137 1.00 0.00 H new ATOM 113 N GLU A 8 15.867 11.629 -11.471 1.00 0.00 N ATOM 114 CA GLU A 8 14.561 11.802 -10.846 1.00 0.00 C ATOM 115 C GLU A 8 13.450 11.280 -11.752 1.00 0.00 C ATOM 116 O GLU A 8 12.629 10.463 -11.338 1.00 0.00 O ATOM 117 CB GLU A 8 14.319 13.278 -10.521 1.00 0.00 C ATOM 118 CG GLU A 8 12.978 13.542 -9.856 1.00 0.00 C ATOM 119 CD GLU A 8 12.724 12.629 -8.672 1.00 0.00 C ATOM 120 OE1 GLU A 8 13.292 12.890 -7.590 1.00 0.00 O ATOM 121 OE2 GLU A 8 11.959 11.655 -8.827 1.00 0.00 O ATOM 0 H GLU A 8 15.910 11.924 -12.447 1.00 0.00 H new ATOM 0 HA GLU A 8 14.550 11.227 -9.920 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.116 13.633 -9.867 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.379 13.859 -11.441 1.00 0.00 H new ATOM 0 HG2 GLU A 8 12.939 14.580 -9.525 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.181 13.411 -10.588 1.00 0.00 H new ATOM 128 N GLY A 9 13.432 11.759 -12.992 1.00 0.00 N ATOM 129 CA GLY A 9 12.418 11.331 -13.938 1.00 0.00 C ATOM 130 C GLY A 9 11.267 12.312 -14.038 1.00 0.00 C ATOM 131 O GLY A 9 11.158 13.237 -13.233 1.00 0.00 O ATOM 0 H GLY A 9 14.101 12.436 -13.358 1.00 0.00 H new ATOM 0 HA2 GLY A 9 12.872 11.207 -14.921 1.00 0.00 H new ATOM 0 HA3 GLY A 9 12.035 10.355 -13.639 1.00 0.00 H new ATOM 135 N VAL A 10 10.406 12.112 -15.031 1.00 0.00 N ATOM 136 CA VAL A 10 9.257 12.987 -15.234 1.00 0.00 C ATOM 137 C VAL A 10 7.960 12.188 -15.284 1.00 0.00 C ATOM 138 O VAL A 10 7.910 11.098 -15.856 1.00 0.00 O ATOM 139 CB VAL A 10 9.396 13.802 -16.534 1.00 0.00 C ATOM 140 CG1 VAL A 10 9.517 12.876 -17.735 1.00 0.00 C ATOM 141 CG2 VAL A 10 8.216 14.749 -16.696 1.00 0.00 C ATOM 0 H VAL A 10 10.482 11.352 -15.707 1.00 0.00 H new ATOM 0 HA VAL A 10 9.226 13.671 -14.386 1.00 0.00 H new ATOM 0 HB VAL A 10 10.306 14.399 -16.474 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.614 13.470 -18.644 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.397 12.243 -17.619 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.627 12.251 -17.804 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.330 15.317 -17.619 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.291 14.174 -16.735 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.181 15.435 -15.850 1.00 0.00 H new ATOM 151 N LYS A 11 6.910 12.736 -14.682 1.00 0.00 N ATOM 152 CA LYS A 11 5.610 12.077 -14.659 1.00 0.00 C ATOM 153 C LYS A 11 4.519 13.006 -15.181 1.00 0.00 C ATOM 154 O LYS A 11 4.397 14.149 -14.738 1.00 0.00 O ATOM 155 CB LYS A 11 5.271 11.623 -13.237 1.00 0.00 C ATOM 156 CG LYS A 11 6.006 10.365 -12.809 1.00 0.00 C ATOM 157 CD LYS A 11 7.354 10.691 -12.187 1.00 0.00 C ATOM 158 CE LYS A 11 7.235 10.923 -10.689 1.00 0.00 C ATOM 159 NZ LYS A 11 6.806 12.315 -10.375 1.00 0.00 N ATOM 0 H LYS A 11 6.934 13.636 -14.203 1.00 0.00 H new ATOM 0 HA LYS A 11 5.661 11.205 -15.310 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.509 12.427 -12.541 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.197 11.448 -13.167 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.398 9.813 -12.093 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.150 9.715 -13.672 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.050 9.874 -12.375 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.770 11.580 -12.662 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.518 10.218 -10.268 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.195 10.723 -10.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.116 12.565 -9.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.233 12.972 -11.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.770 12.380 -10.433 1.00 0.00 H new ATOM 173 N THR A 12 3.726 12.509 -16.125 1.00 0.00 N ATOM 174 CA THR A 12 2.645 13.294 -16.707 1.00 0.00 C ATOM 175 C THR A 12 1.293 12.634 -16.463 1.00 0.00 C ATOM 176 O THR A 12 0.877 11.753 -17.215 1.00 0.00 O ATOM 177 CB THR A 12 2.843 13.487 -18.222 1.00 0.00 C ATOM 178 OG1 THR A 12 2.987 12.215 -18.863 1.00 0.00 O ATOM 179 CG2 THR A 12 4.068 14.344 -18.503 1.00 0.00 C ATOM 0 H THR A 12 3.812 11.566 -16.503 1.00 0.00 H new ATOM 0 HA THR A 12 2.664 14.268 -16.219 1.00 0.00 H new ATOM 0 HB THR A 12 1.965 13.996 -18.619 1.00 0.00 H new ATOM 0 HG1 THR A 12 2.260 11.622 -18.580 1.00 0.00 H new ATOM 0 HG21 THR A 12 4.187 14.466 -19.580 1.00 0.00 H new ATOM 0 HG22 THR A 12 3.942 15.322 -18.038 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.954 13.859 -18.093 1.00 0.00 H new ATOM 187 N GLU A 13 0.610 13.067 -15.407 1.00 0.00 N ATOM 188 CA GLU A 13 -0.696 12.516 -15.065 1.00 0.00 C ATOM 189 C GLU A 13 -1.640 13.615 -14.585 1.00 0.00 C ATOM 190 O GLU A 13 -1.225 14.551 -13.904 1.00 0.00 O ATOM 191 CB GLU A 13 -0.554 11.442 -13.985 1.00 0.00 C ATOM 192 CG GLU A 13 0.139 11.933 -12.725 1.00 0.00 C ATOM 193 CD GLU A 13 0.920 10.838 -12.025 1.00 0.00 C ATOM 194 OE1 GLU A 13 0.621 9.649 -12.266 1.00 0.00 O ATOM 195 OE2 GLU A 13 1.830 11.169 -11.236 1.00 0.00 O ATOM 0 H GLU A 13 0.939 13.797 -14.775 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.118 12.064 -15.962 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.544 11.069 -13.723 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.006 10.600 -14.393 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.815 12.749 -12.981 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.605 12.338 -12.040 1.00 0.00 H new ATOM 202 N ASN A 14 -2.914 13.491 -14.945 1.00 0.00 N ATOM 203 CA ASN A 14 -3.918 14.474 -14.553 1.00 0.00 C ATOM 204 C ASN A 14 -4.689 14.002 -13.324 1.00 0.00 C ATOM 205 O ASN A 14 -5.817 14.429 -13.084 1.00 0.00 O ATOM 206 CB ASN A 14 -4.887 14.733 -15.708 1.00 0.00 C ATOM 207 CG ASN A 14 -5.680 16.012 -15.521 1.00 0.00 C ATOM 208 OD1 ASN A 14 -6.896 15.980 -15.331 1.00 0.00 O ATOM 209 ND2 ASN A 14 -4.993 17.147 -15.575 1.00 0.00 N ATOM 0 H ASN A 14 -3.275 12.720 -15.507 1.00 0.00 H new ATOM 0 HA ASN A 14 -3.404 15.402 -14.304 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -4.328 14.788 -16.642 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -5.575 13.892 -15.797 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.472 18.039 -15.457 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.986 17.126 -15.735 1.00 0.00 H new ATOM 216 N ASN A 15 -4.070 13.118 -12.547 1.00 0.00 N ATOM 217 CA ASN A 15 -4.698 12.588 -11.342 1.00 0.00 C ATOM 218 C ASN A 15 -3.746 12.666 -10.153 1.00 0.00 C ATOM 219 O ASN A 15 -2.611 13.127 -10.282 1.00 0.00 O ATOM 220 CB ASN A 15 -5.135 11.139 -11.565 1.00 0.00 C ATOM 221 CG ASN A 15 -6.574 11.035 -12.034 1.00 0.00 C ATOM 222 OD1 ASN A 15 -6.839 10.770 -13.207 1.00 0.00 O ATOM 223 ND2 ASN A 15 -7.511 11.244 -11.117 1.00 0.00 N ATOM 0 H ASN A 15 -3.135 12.754 -12.730 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.576 13.196 -11.122 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.481 10.674 -12.303 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.017 10.580 -10.637 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -8.497 11.188 -11.373 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -7.245 11.461 -10.156 1.00 0.00 H new ATOM 230 N ASP A 16 -4.214 12.212 -8.996 1.00 0.00 N ATOM 231 CA ASP A 16 -3.404 12.229 -7.783 1.00 0.00 C ATOM 232 C ASP A 16 -2.470 11.023 -7.737 1.00 0.00 C ATOM 233 O ASP A 16 -2.647 10.059 -8.482 1.00 0.00 O ATOM 234 CB ASP A 16 -4.301 12.242 -6.545 1.00 0.00 C ATOM 235 CG ASP A 16 -5.578 13.031 -6.763 1.00 0.00 C ATOM 236 OD1 ASP A 16 -6.476 12.521 -7.466 1.00 0.00 O ATOM 237 OD2 ASP A 16 -5.678 14.157 -6.233 1.00 0.00 O ATOM 0 H ASP A 16 -5.151 11.827 -8.872 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.799 13.135 -7.793 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.553 11.217 -6.272 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.752 12.670 -5.706 1.00 0.00 H new ATOM 242 N HIS A 17 -1.475 11.085 -6.858 1.00 0.00 N ATOM 243 CA HIS A 17 -0.513 9.999 -6.715 1.00 0.00 C ATOM 244 C HIS A 17 0.159 10.044 -5.346 1.00 0.00 C ATOM 245 O HIS A 17 1.059 10.851 -5.112 1.00 0.00 O ATOM 246 CB HIS A 17 0.544 10.077 -7.817 1.00 0.00 C ATOM 247 CG HIS A 17 1.660 9.092 -7.649 1.00 0.00 C ATOM 248 ND1 HIS A 17 1.625 7.818 -8.176 1.00 0.00 N ATOM 249 CD2 HIS A 17 2.847 9.200 -7.008 1.00 0.00 C ATOM 250 CE1 HIS A 17 2.742 7.185 -7.866 1.00 0.00 C ATOM 251 NE2 HIS A 17 3.501 8.001 -7.157 1.00 0.00 N ATOM 0 H HIS A 17 -1.314 11.876 -6.234 1.00 0.00 H new ATOM 0 HA HIS A 17 -1.052 9.056 -6.805 1.00 0.00 H new ATOM 0 HB2 HIS A 17 0.064 9.909 -8.781 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.960 11.084 -7.839 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.212 10.067 -6.478 1.00 0.00 H new ATOM 0 HE1 HIS A 17 2.992 6.172 -8.145 1.00 0.00 H new ATOM 0 HE2 HIS A 17 4.423 7.777 -6.781 1.00 0.00 H new ATOM 259 N ILE A 18 -0.285 9.174 -4.445 1.00 0.00 N ATOM 260 CA ILE A 18 0.273 9.116 -3.100 1.00 0.00 C ATOM 261 C ILE A 18 1.192 7.909 -2.938 1.00 0.00 C ATOM 262 O ILE A 18 1.512 7.225 -3.910 1.00 0.00 O ATOM 263 CB ILE A 18 -0.835 9.050 -2.033 1.00 0.00 C ATOM 264 CG1 ILE A 18 -1.508 7.676 -2.050 1.00 0.00 C ATOM 265 CG2 ILE A 18 -1.860 10.150 -2.265 1.00 0.00 C ATOM 266 CD1 ILE A 18 -2.628 7.539 -1.041 1.00 0.00 C ATOM 0 H ILE A 18 -1.030 8.500 -4.622 1.00 0.00 H new ATOM 0 HA ILE A 18 0.849 10.030 -2.958 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.384 9.201 -1.052 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.904 7.486 -3.048 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.757 6.910 -1.854 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.637 10.090 -1.503 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.370 11.122 -2.208 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.309 10.027 -3.251 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.059 6.540 -1.109 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.234 7.697 -0.037 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.398 8.282 -1.249 1.00 0.00 H new ATOM 278 N ASN A 19 1.611 7.653 -1.703 1.00 0.00 N ATOM 279 CA ASN A 19 2.492 6.528 -1.413 1.00 0.00 C ATOM 280 C ASN A 19 1.993 5.744 -0.203 1.00 0.00 C ATOM 281 O ASN A 19 1.549 6.326 0.787 1.00 0.00 O ATOM 282 CB ASN A 19 3.919 7.022 -1.163 1.00 0.00 C ATOM 283 CG ASN A 19 4.965 6.041 -1.655 1.00 0.00 C ATOM 284 OD1 ASN A 19 5.481 6.172 -2.765 1.00 0.00 O ATOM 285 ND2 ASN A 19 5.283 5.051 -0.829 1.00 0.00 N ATOM 0 H ASN A 19 1.355 8.209 -0.887 1.00 0.00 H new ATOM 0 HA ASN A 19 2.491 5.865 -2.278 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.061 7.981 -1.662 1.00 0.00 H new ATOM 0 HB3 ASN A 19 4.059 7.194 -0.096 1.00 0.00 H new ATOM 0 HD21 ASN A 19 5.981 4.360 -1.106 1.00 0.00 H new ATOM 0 HD22 ASN A 19 4.830 4.981 0.082 1.00 0.00 H new ATOM 292 N LEU A 20 2.070 4.421 -0.290 1.00 0.00 N ATOM 293 CA LEU A 20 1.627 3.556 0.798 1.00 0.00 C ATOM 294 C LEU A 20 2.575 2.374 0.974 1.00 0.00 C ATOM 295 O LEU A 20 3.262 1.969 0.036 1.00 0.00 O ATOM 296 CB LEU A 20 0.209 3.050 0.528 1.00 0.00 C ATOM 297 CG LEU A 20 -0.854 4.125 0.294 1.00 0.00 C ATOM 298 CD1 LEU A 20 -2.131 3.504 -0.249 1.00 0.00 C ATOM 299 CD2 LEU A 20 -1.135 4.886 1.582 1.00 0.00 C ATOM 0 H LEU A 20 2.435 3.924 -1.102 1.00 0.00 H new ATOM 0 HA LEU A 20 1.629 4.141 1.718 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.237 2.399 -0.346 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.103 2.436 1.373 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.474 4.829 -0.446 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.875 4.284 -0.409 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.919 3.005 -1.195 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.515 2.777 0.467 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.893 5.647 1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.494 4.193 2.343 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.219 5.364 1.929 1.00 0.00 H new ATOM 311 N LYS A 21 2.606 1.823 2.183 1.00 0.00 N ATOM 312 CA LYS A 21 3.467 0.685 2.483 1.00 0.00 C ATOM 313 C LYS A 21 2.719 -0.362 3.302 1.00 0.00 C ATOM 314 O LYS A 21 2.388 -0.134 4.466 1.00 0.00 O ATOM 315 CB LYS A 21 4.712 1.148 3.243 1.00 0.00 C ATOM 316 CG LYS A 21 5.417 2.327 2.595 1.00 0.00 C ATOM 317 CD LYS A 21 6.825 2.502 3.138 1.00 0.00 C ATOM 318 CE LYS A 21 7.424 3.835 2.714 1.00 0.00 C ATOM 319 NZ LYS A 21 8.886 3.899 2.991 1.00 0.00 N ATOM 0 H LYS A 21 2.045 2.146 2.971 1.00 0.00 H new ATOM 0 HA LYS A 21 3.772 0.233 1.539 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.427 1.420 4.259 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.411 0.315 3.320 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.458 2.179 1.516 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.843 3.237 2.770 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.807 2.440 4.226 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.457 1.688 2.782 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.249 3.990 1.649 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.919 4.644 3.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.257 4.822 2.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.052 3.777 4.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.372 3.143 2.468 1.00 0.00 H new ATOM 333 N VAL A 22 2.456 -1.511 2.688 1.00 0.00 N ATOM 334 CA VAL A 22 1.750 -2.594 3.361 1.00 0.00 C ATOM 335 C VAL A 22 2.722 -3.521 4.082 1.00 0.00 C ATOM 336 O VAL A 22 3.132 -4.548 3.542 1.00 0.00 O ATOM 337 CB VAL A 22 0.911 -3.420 2.368 1.00 0.00 C ATOM 338 CG1 VAL A 22 0.013 -4.398 3.111 1.00 0.00 C ATOM 339 CG2 VAL A 22 0.090 -2.503 1.474 1.00 0.00 C ATOM 0 H VAL A 22 2.722 -1.716 1.725 1.00 0.00 H new ATOM 0 HA VAL A 22 1.085 -2.132 4.091 1.00 0.00 H new ATOM 0 HB VAL A 22 1.589 -3.995 1.737 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.572 -4.973 2.393 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.626 -5.076 3.705 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.659 -3.847 3.769 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.497 -3.103 0.778 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.580 -1.900 2.088 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.757 -1.848 0.914 1.00 0.00 H new ATOM 349 N ALA A 23 3.088 -3.151 5.305 1.00 0.00 N ATOM 350 CA ALA A 23 4.011 -3.951 6.101 1.00 0.00 C ATOM 351 C ALA A 23 3.285 -4.651 7.244 1.00 0.00 C ATOM 352 O ALA A 23 2.510 -4.031 7.972 1.00 0.00 O ATOM 353 CB ALA A 23 5.134 -3.078 6.641 1.00 0.00 C ATOM 0 H ALA A 23 2.759 -2.303 5.766 1.00 0.00 H new ATOM 0 HA ALA A 23 4.440 -4.717 5.455 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.816 -3.688 7.234 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.678 -2.629 5.810 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.714 -2.291 7.267 1.00 0.00 H new ATOM 359 N GLY A 24 3.541 -5.946 7.397 1.00 0.00 N ATOM 360 CA GLY A 24 2.903 -6.709 8.454 1.00 0.00 C ATOM 361 C GLY A 24 3.506 -6.428 9.816 1.00 0.00 C ATOM 362 O GLY A 24 4.721 -6.290 9.947 1.00 0.00 O ATOM 0 H GLY A 24 4.179 -6.481 6.808 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.839 -6.474 8.476 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.991 -7.773 8.234 1.00 0.00 H new ATOM 366 N GLN A 25 2.653 -6.342 10.832 1.00 0.00 N ATOM 367 CA GLN A 25 3.109 -6.073 12.191 1.00 0.00 C ATOM 368 C GLN A 25 4.103 -7.134 12.652 1.00 0.00 C ATOM 369 O GLN A 25 4.897 -6.901 13.563 1.00 0.00 O ATOM 370 CB GLN A 25 1.919 -6.021 13.150 1.00 0.00 C ATOM 371 CG GLN A 25 2.155 -5.139 14.365 1.00 0.00 C ATOM 372 CD GLN A 25 2.951 -5.838 15.449 1.00 0.00 C ATOM 373 OE1 GLN A 25 2.888 -7.060 15.591 1.00 0.00 O ATOM 374 NE2 GLN A 25 3.707 -5.066 16.221 1.00 0.00 N ATOM 0 H GLN A 25 1.643 -6.455 10.740 1.00 0.00 H new ATOM 0 HA GLN A 25 3.611 -5.106 12.194 1.00 0.00 H new ATOM 0 HB2 GLN A 25 1.044 -5.656 12.611 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.688 -7.032 13.485 1.00 0.00 H new ATOM 0 HG2 GLN A 25 2.683 -4.237 14.057 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.194 -4.823 14.772 1.00 0.00 H new ATOM 0 HE21 GLN A 25 3.729 -4.058 16.068 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.265 -5.481 16.967 1.00 0.00 H new ATOM 383 N ASP A 26 4.053 -8.300 12.016 1.00 0.00 N ATOM 384 CA ASP A 26 4.950 -9.397 12.360 1.00 0.00 C ATOM 385 C ASP A 26 6.324 -9.193 11.732 1.00 0.00 C ATOM 386 O ASP A 26 7.290 -8.862 12.419 1.00 0.00 O ATOM 387 CB ASP A 26 4.358 -10.730 11.901 1.00 0.00 C ATOM 388 CG ASP A 26 5.304 -11.893 12.130 1.00 0.00 C ATOM 389 OD1 ASP A 26 6.261 -11.733 12.915 1.00 0.00 O ATOM 390 OD2 ASP A 26 5.087 -12.963 11.522 1.00 0.00 O ATOM 0 H ASP A 26 3.401 -8.509 11.260 1.00 0.00 H new ATOM 0 HA ASP A 26 5.065 -9.413 13.444 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.426 -10.913 12.435 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.112 -10.669 10.841 1.00 0.00 H new ATOM 395 N GLY A 27 6.405 -9.394 10.420 1.00 0.00 N ATOM 396 CA GLY A 27 7.666 -9.229 9.720 1.00 0.00 C ATOM 397 C GLY A 27 7.491 -9.168 8.216 1.00 0.00 C ATOM 398 O GLY A 27 8.142 -9.907 7.478 1.00 0.00 O ATOM 0 H GLY A 27 5.620 -9.668 9.829 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.152 -8.316 10.063 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.329 -10.057 9.972 1.00 0.00 H new ATOM 402 N SER A 28 6.608 -8.285 7.760 1.00 0.00 N ATOM 403 CA SER A 28 6.345 -8.135 6.333 1.00 0.00 C ATOM 404 C SER A 28 6.446 -6.671 5.914 1.00 0.00 C ATOM 405 O SER A 28 6.171 -5.767 6.702 1.00 0.00 O ATOM 406 CB SER A 28 4.958 -8.681 5.988 1.00 0.00 C ATOM 407 OG SER A 28 4.969 -10.097 5.925 1.00 0.00 O ATOM 0 H SER A 28 6.063 -7.663 8.357 1.00 0.00 H new ATOM 0 HA SER A 28 7.098 -8.705 5.788 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.238 -8.353 6.737 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.631 -8.274 5.031 1.00 0.00 H new ATOM 0 HG SER A 28 4.071 -10.422 5.705 1.00 0.00 H new ATOM 413 N VAL A 29 6.844 -6.446 4.666 1.00 0.00 N ATOM 414 CA VAL A 29 6.982 -5.094 4.139 1.00 0.00 C ATOM 415 C VAL A 29 6.764 -5.066 2.630 1.00 0.00 C ATOM 416 O VAL A 29 7.527 -5.663 1.871 1.00 0.00 O ATOM 417 CB VAL A 29 8.369 -4.506 4.457 1.00 0.00 C ATOM 418 CG1 VAL A 29 8.523 -3.129 3.828 1.00 0.00 C ATOM 419 CG2 VAL A 29 8.589 -4.442 5.961 1.00 0.00 C ATOM 0 H VAL A 29 7.077 -7.183 4.001 1.00 0.00 H new ATOM 0 HA VAL A 29 6.218 -4.487 4.624 1.00 0.00 H new ATOM 0 HB VAL A 29 9.128 -5.161 4.030 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.509 -2.730 4.064 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.413 -3.209 2.747 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.757 -2.461 4.223 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.574 -4.024 6.167 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.825 -3.810 6.414 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.526 -5.446 6.381 1.00 0.00 H new ATOM 429 N VAL A 30 5.716 -4.369 2.202 1.00 0.00 N ATOM 430 CA VAL A 30 5.398 -4.262 0.783 1.00 0.00 C ATOM 431 C VAL A 30 5.069 -2.823 0.401 1.00 0.00 C ATOM 432 O VAL A 30 3.940 -2.367 0.577 1.00 0.00 O ATOM 433 CB VAL A 30 4.210 -5.167 0.405 1.00 0.00 C ATOM 434 CG1 VAL A 30 3.895 -5.043 -1.078 1.00 0.00 C ATOM 435 CG2 VAL A 30 4.501 -6.612 0.777 1.00 0.00 C ATOM 0 H VAL A 30 5.073 -3.870 2.817 1.00 0.00 H new ATOM 0 HA VAL A 30 6.282 -4.587 0.234 1.00 0.00 H new ATOM 0 HB VAL A 30 3.335 -4.841 0.967 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.053 -5.689 -1.326 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.640 -4.009 -1.311 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.766 -5.342 -1.661 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.651 -7.237 0.503 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.389 -6.953 0.244 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.672 -6.684 1.851 1.00 0.00 H new ATOM 445 N GLN A 31 6.063 -2.114 -0.124 1.00 0.00 N ATOM 446 CA GLN A 31 5.879 -0.726 -0.531 1.00 0.00 C ATOM 447 C GLN A 31 5.201 -0.645 -1.895 1.00 0.00 C ATOM 448 O GLN A 31 5.568 -1.361 -2.827 1.00 0.00 O ATOM 449 CB GLN A 31 7.226 -0.002 -0.574 1.00 0.00 C ATOM 450 CG GLN A 31 8.234 -0.648 -1.511 1.00 0.00 C ATOM 451 CD GLN A 31 9.458 -1.167 -0.782 1.00 0.00 C ATOM 452 OE1 GLN A 31 9.957 -0.532 0.148 1.00 0.00 O ATOM 453 NE2 GLN A 31 9.950 -2.327 -1.201 1.00 0.00 N ATOM 0 H GLN A 31 7.004 -2.478 -0.277 1.00 0.00 H new ATOM 0 HA GLN A 31 5.237 -0.240 0.204 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.064 1.031 -0.884 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.645 0.029 0.432 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.756 -1.471 -2.042 1.00 0.00 H new ATOM 0 HG3 GLN A 31 8.544 0.078 -2.262 1.00 0.00 H new ATOM 0 HE21 GLN A 31 9.505 -2.820 -1.975 1.00 0.00 H new ATOM 0 HE22 GLN A 31 10.773 -2.725 -0.749 1.00 0.00 H new ATOM 462 N PHE A 32 4.208 0.232 -2.005 1.00 0.00 N ATOM 463 CA PHE A 32 3.477 0.406 -3.255 1.00 0.00 C ATOM 464 C PHE A 32 2.976 1.841 -3.396 1.00 0.00 C ATOM 465 O PHE A 32 3.061 2.636 -2.460 1.00 0.00 O ATOM 466 CB PHE A 32 2.298 -0.566 -3.320 1.00 0.00 C ATOM 467 CG PHE A 32 2.473 -1.652 -4.344 1.00 0.00 C ATOM 468 CD1 PHE A 32 2.065 -1.459 -5.654 1.00 0.00 C ATOM 469 CD2 PHE A 32 3.045 -2.865 -3.995 1.00 0.00 C ATOM 470 CE1 PHE A 32 2.224 -2.457 -6.597 1.00 0.00 C ATOM 471 CE2 PHE A 32 3.207 -3.866 -4.934 1.00 0.00 C ATOM 472 CZ PHE A 32 2.797 -3.661 -6.237 1.00 0.00 C ATOM 0 H PHE A 32 3.891 0.833 -1.244 1.00 0.00 H new ATOM 0 HA PHE A 32 4.159 0.195 -4.079 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.158 -1.021 -2.339 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.389 -0.008 -3.545 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.618 -0.519 -5.941 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.368 -3.030 -2.978 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.900 -2.295 -7.615 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.654 -4.807 -4.649 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.924 -4.441 -6.973 1.00 0.00 H new ATOM 482 N LYS A 33 2.454 2.165 -4.574 1.00 0.00 N ATOM 483 CA LYS A 33 1.938 3.503 -4.841 1.00 0.00 C ATOM 484 C LYS A 33 0.564 3.435 -5.499 1.00 0.00 C ATOM 485 O LYS A 33 0.256 2.483 -6.218 1.00 0.00 O ATOM 486 CB LYS A 33 2.907 4.276 -5.737 1.00 0.00 C ATOM 487 CG LYS A 33 3.034 3.699 -7.136 1.00 0.00 C ATOM 488 CD LYS A 33 4.473 3.724 -7.622 1.00 0.00 C ATOM 489 CE LYS A 33 4.656 2.873 -8.869 1.00 0.00 C ATOM 490 NZ LYS A 33 5.220 1.532 -8.548 1.00 0.00 N ATOM 0 H LYS A 33 2.377 1.519 -5.360 1.00 0.00 H new ATOM 0 HA LYS A 33 1.840 4.024 -3.889 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.574 5.312 -5.809 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.891 4.289 -5.268 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.665 2.673 -7.142 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.407 4.267 -7.823 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.768 4.751 -7.835 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.131 3.361 -6.833 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.696 2.752 -9.371 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.317 3.388 -9.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.330 0.983 -9.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.148 1.646 -8.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.577 1.030 -7.903 1.00 0.00 H new ATOM 504 N ILE A 34 -0.257 4.449 -5.251 1.00 0.00 N ATOM 505 CA ILE A 34 -1.597 4.505 -5.822 1.00 0.00 C ATOM 506 C ILE A 34 -2.122 5.936 -5.856 1.00 0.00 C ATOM 507 O ILE A 34 -1.535 6.838 -5.258 1.00 0.00 O ATOM 508 CB ILE A 34 -2.584 3.627 -5.030 1.00 0.00 C ATOM 509 CG1 ILE A 34 -3.667 3.073 -5.958 1.00 0.00 C ATOM 510 CG2 ILE A 34 -3.208 4.424 -3.895 1.00 0.00 C ATOM 511 CD1 ILE A 34 -3.680 1.563 -6.038 1.00 0.00 C ATOM 0 H ILE A 34 -0.018 5.244 -4.658 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.521 4.124 -6.841 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.037 2.788 -4.601 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.641 3.419 -5.613 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.520 3.480 -6.958 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.903 3.790 -3.345 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.425 4.773 -3.222 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.744 5.281 -4.304 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.473 1.241 -6.713 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.719 1.210 -6.412 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.858 1.148 -5.046 1.00 0.00 H new ATOM 523 N LYS A 35 -3.231 6.137 -6.558 1.00 0.00 N ATOM 524 CA LYS A 35 -3.839 7.458 -6.668 1.00 0.00 C ATOM 525 C LYS A 35 -4.548 7.841 -5.373 1.00 0.00 C ATOM 526 O LYS A 35 -4.384 7.181 -4.347 1.00 0.00 O ATOM 527 CB LYS A 35 -4.830 7.491 -7.834 1.00 0.00 C ATOM 528 CG LYS A 35 -4.333 6.770 -9.075 1.00 0.00 C ATOM 529 CD LYS A 35 -3.022 7.354 -9.572 1.00 0.00 C ATOM 530 CE LYS A 35 -2.446 6.536 -10.718 1.00 0.00 C ATOM 531 NZ LYS A 35 -3.250 6.683 -11.963 1.00 0.00 N ATOM 0 H LYS A 35 -3.728 5.401 -7.060 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.045 8.181 -6.854 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.770 7.041 -7.514 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.044 8.529 -8.088 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.200 5.711 -8.853 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.084 6.838 -9.862 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.181 8.381 -9.901 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.304 7.390 -8.752 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.420 6.851 -10.909 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.409 5.485 -10.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.816 6.124 -12.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.218 6.343 -11.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.278 7.685 -12.242 1.00 0.00 H new ATOM 545 N ARG A 36 -5.336 8.909 -5.429 1.00 0.00 N ATOM 546 CA ARG A 36 -6.070 9.379 -4.260 1.00 0.00 C ATOM 547 C ARG A 36 -7.342 8.561 -4.052 1.00 0.00 C ATOM 548 O ARG A 36 -7.554 7.985 -2.985 1.00 0.00 O ATOM 549 CB ARG A 36 -6.423 10.859 -4.414 1.00 0.00 C ATOM 550 CG ARG A 36 -7.342 11.383 -3.322 1.00 0.00 C ATOM 551 CD ARG A 36 -7.765 12.818 -3.592 1.00 0.00 C ATOM 552 NE ARG A 36 -6.829 13.782 -3.020 1.00 0.00 N ATOM 553 CZ ARG A 36 -7.032 15.095 -3.024 1.00 0.00 C ATOM 554 NH1 ARG A 36 -8.132 15.598 -3.567 1.00 0.00 N ATOM 555 NH2 ARG A 36 -6.133 15.908 -2.483 1.00 0.00 N ATOM 0 H ARG A 36 -5.483 9.465 -6.271 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.431 9.254 -3.386 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.504 11.445 -4.416 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.900 11.011 -5.382 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.226 10.749 -3.253 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.834 11.327 -2.359 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.838 12.978 -4.668 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.758 12.987 -3.177 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.972 13.428 -2.594 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.825 14.976 -3.983 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.285 16.606 -3.568 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.286 15.525 -2.064 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.289 16.916 -2.486 1.00 0.00 H new ATOM 569 N HIS A 37 -8.185 8.516 -5.079 1.00 0.00 N ATOM 570 CA HIS A 37 -9.436 7.769 -5.009 1.00 0.00 C ATOM 571 C HIS A 37 -9.343 6.477 -5.815 1.00 0.00 C ATOM 572 O HIS A 37 -9.776 6.417 -6.966 1.00 0.00 O ATOM 573 CB HIS A 37 -10.594 8.623 -5.525 1.00 0.00 C ATOM 574 CG HIS A 37 -10.293 9.325 -6.813 1.00 0.00 C ATOM 575 ND1 HIS A 37 -10.662 8.828 -8.045 1.00 0.00 N ATOM 576 CD2 HIS A 37 -9.656 10.494 -7.057 1.00 0.00 C ATOM 577 CE1 HIS A 37 -10.263 9.660 -8.991 1.00 0.00 C ATOM 578 NE2 HIS A 37 -9.650 10.680 -8.417 1.00 0.00 N ATOM 0 H HIS A 37 -8.025 8.988 -5.969 1.00 0.00 H new ATOM 0 HA HIS A 37 -9.620 7.513 -3.965 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -11.469 7.988 -5.663 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -10.853 9.364 -4.769 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -9.231 11.158 -6.318 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -10.413 9.529 -10.052 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -9.239 11.476 -8.905 1.00 0.00 H new ATOM 586 N THR A 38 -8.773 5.443 -5.203 1.00 0.00 N ATOM 587 CA THR A 38 -8.621 4.153 -5.864 1.00 0.00 C ATOM 588 C THR A 38 -9.100 3.016 -4.968 1.00 0.00 C ATOM 589 O THR A 38 -8.781 2.954 -3.780 1.00 0.00 O ATOM 590 CB THR A 38 -7.156 3.895 -6.262 1.00 0.00 C ATOM 591 OG1 THR A 38 -6.713 4.901 -7.179 1.00 0.00 O ATOM 592 CG2 THR A 38 -7.002 2.521 -6.897 1.00 0.00 C ATOM 0 H THR A 38 -8.409 5.474 -4.251 1.00 0.00 H new ATOM 0 HA THR A 38 -9.234 4.185 -6.765 1.00 0.00 H new ATOM 0 HB THR A 38 -6.546 3.932 -5.360 1.00 0.00 H new ATOM 0 HG1 THR A 38 -5.780 4.731 -7.426 1.00 0.00 H new ATOM 0 HG21 THR A 38 -5.959 2.361 -7.170 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.313 1.755 -6.187 1.00 0.00 H new ATOM 0 HG23 THR A 38 -7.624 2.461 -7.790 1.00 0.00 H new ATOM 600 N PRO A 39 -9.883 2.095 -5.547 1.00 0.00 N ATOM 601 CA PRO A 39 -10.422 0.942 -4.818 1.00 0.00 C ATOM 602 C PRO A 39 -9.340 -0.067 -4.449 1.00 0.00 C ATOM 603 O PRO A 39 -8.797 -0.755 -5.315 1.00 0.00 O ATOM 604 CB PRO A 39 -11.412 0.326 -5.810 1.00 0.00 C ATOM 605 CG PRO A 39 -10.916 0.746 -7.150 1.00 0.00 C ATOM 606 CD PRO A 39 -10.304 2.106 -6.958 1.00 0.00 C ATOM 0 HA PRO A 39 -10.874 1.234 -3.870 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -11.438 -0.760 -5.720 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -12.426 0.685 -5.633 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -10.181 0.038 -7.533 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -11.730 0.783 -7.873 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -9.459 2.265 -7.628 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.022 2.901 -7.157 1.00 0.00 H new ATOM 614 N LEU A 40 -9.031 -0.152 -3.160 1.00 0.00 N ATOM 615 CA LEU A 40 -8.014 -1.079 -2.676 1.00 0.00 C ATOM 616 C LEU A 40 -8.285 -2.494 -3.175 1.00 0.00 C ATOM 617 O LEU A 40 -7.379 -3.325 -3.238 1.00 0.00 O ATOM 618 CB LEU A 40 -7.969 -1.065 -1.147 1.00 0.00 C ATOM 619 CG LEU A 40 -7.745 0.300 -0.494 1.00 0.00 C ATOM 620 CD1 LEU A 40 -8.355 0.332 0.898 1.00 0.00 C ATOM 621 CD2 LEU A 40 -6.259 0.624 -0.435 1.00 0.00 C ATOM 0 H LEU A 40 -9.470 0.410 -2.431 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.048 -0.755 -3.065 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.907 -1.475 -0.772 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.175 -1.736 -0.821 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.239 1.058 -1.102 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.186 1.311 1.347 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.427 0.144 0.830 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.891 -0.436 1.516 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.117 1.598 0.032 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.744 -0.138 0.150 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.850 0.643 -1.445 1.00 0.00 H new ATOM 633 N SER A 41 -9.537 -2.761 -3.532 1.00 0.00 N ATOM 634 CA SER A 41 -9.928 -4.076 -4.025 1.00 0.00 C ATOM 635 C SER A 41 -8.929 -4.588 -5.059 1.00 0.00 C ATOM 636 O SER A 41 -8.307 -5.635 -4.874 1.00 0.00 O ATOM 637 CB SER A 41 -11.329 -4.019 -4.638 1.00 0.00 C ATOM 638 OG SER A 41 -12.289 -3.614 -3.678 1.00 0.00 O ATOM 0 H SER A 41 -10.298 -2.084 -3.489 1.00 0.00 H new ATOM 0 HA SER A 41 -9.936 -4.765 -3.181 1.00 0.00 H new ATOM 0 HB2 SER A 41 -11.334 -3.324 -5.478 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.597 -4.999 -5.034 1.00 0.00 H new ATOM 0 HG SER A 41 -13.176 -3.584 -4.095 1.00 0.00 H new ATOM 644 N LYS A 42 -8.780 -3.842 -6.148 1.00 0.00 N ATOM 645 CA LYS A 42 -7.856 -4.217 -7.212 1.00 0.00 C ATOM 646 C LYS A 42 -6.474 -4.530 -6.648 1.00 0.00 C ATOM 647 O LYS A 42 -5.763 -5.395 -7.162 1.00 0.00 O ATOM 648 CB LYS A 42 -7.754 -3.094 -8.246 1.00 0.00 C ATOM 649 CG LYS A 42 -7.469 -1.731 -7.638 1.00 0.00 C ATOM 650 CD LYS A 42 -6.467 -0.948 -8.469 1.00 0.00 C ATOM 651 CE LYS A 42 -6.993 -0.680 -9.871 1.00 0.00 C ATOM 652 NZ LYS A 42 -6.553 -1.723 -10.838 1.00 0.00 N ATOM 0 H LYS A 42 -9.288 -2.974 -6.317 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.243 -5.114 -7.695 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.965 -3.337 -8.958 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.686 -3.044 -8.809 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.398 -1.166 -7.558 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.084 -1.856 -6.626 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.244 -0.002 -7.976 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.531 -1.503 -8.530 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.082 -0.642 -9.849 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.647 0.297 -10.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.223 -1.268 -11.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.777 -2.277 -10.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.351 -2.354 -11.055 1.00 0.00 H new ATOM 666 N LEU A 43 -6.099 -3.823 -5.587 1.00 0.00 N ATOM 667 CA LEU A 43 -4.802 -4.027 -4.951 1.00 0.00 C ATOM 668 C LEU A 43 -4.787 -5.323 -4.148 1.00 0.00 C ATOM 669 O LEU A 43 -3.779 -6.028 -4.108 1.00 0.00 O ATOM 670 CB LEU A 43 -4.468 -2.845 -4.039 1.00 0.00 C ATOM 671 CG LEU A 43 -3.032 -2.784 -3.518 1.00 0.00 C ATOM 672 CD1 LEU A 43 -2.042 -2.874 -4.669 1.00 0.00 C ATOM 673 CD2 LEU A 43 -2.808 -1.510 -2.718 1.00 0.00 C ATOM 0 H LEU A 43 -6.675 -3.104 -5.149 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.048 -4.098 -5.735 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.676 -1.923 -4.582 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.143 -2.870 -3.183 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.869 -3.636 -2.858 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.025 -2.829 -4.279 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.186 -3.815 -5.200 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.205 -2.042 -5.355 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.780 -1.484 -2.355 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.990 -0.644 -3.354 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.493 -1.488 -1.870 1.00 0.00 H new ATOM 685 N MET A 44 -5.912 -5.633 -3.512 1.00 0.00 N ATOM 686 CA MET A 44 -6.029 -6.847 -2.713 1.00 0.00 C ATOM 687 C MET A 44 -6.084 -8.083 -3.606 1.00 0.00 C ATOM 688 O MET A 44 -5.378 -9.064 -3.371 1.00 0.00 O ATOM 689 CB MET A 44 -7.277 -6.785 -1.832 1.00 0.00 C ATOM 690 CG MET A 44 -7.169 -5.783 -0.694 1.00 0.00 C ATOM 691 SD MET A 44 -8.683 -5.669 0.278 1.00 0.00 S ATOM 692 CE MET A 44 -8.527 -7.118 1.320 1.00 0.00 C ATOM 0 H MET A 44 -6.756 -5.060 -3.535 1.00 0.00 H new ATOM 0 HA MET A 44 -5.147 -6.919 -2.077 1.00 0.00 H new ATOM 0 HB2 MET A 44 -8.136 -6.528 -2.451 1.00 0.00 H new ATOM 0 HB3 MET A 44 -7.468 -7.775 -1.417 1.00 0.00 H new ATOM 0 HG2 MET A 44 -6.344 -6.068 -0.041 1.00 0.00 H new ATOM 0 HG3 MET A 44 -6.929 -4.801 -1.101 1.00 0.00 H new ATOM 0 HE1 MET A 44 -9.391 -7.186 1.981 1.00 0.00 H new ATOM 0 HE2 MET A 44 -8.476 -8.011 0.697 1.00 0.00 H new ATOM 0 HE3 MET A 44 -7.619 -7.040 1.918 1.00 0.00 H new ATOM 702 N LYS A 45 -6.926 -8.028 -4.632 1.00 0.00 N ATOM 703 CA LYS A 45 -7.073 -9.142 -5.562 1.00 0.00 C ATOM 704 C LYS A 45 -5.714 -9.602 -6.080 1.00 0.00 C ATOM 705 O LYS A 45 -5.366 -10.778 -5.979 1.00 0.00 O ATOM 706 CB LYS A 45 -7.968 -8.739 -6.736 1.00 0.00 C ATOM 707 CG LYS A 45 -9.435 -8.608 -6.365 1.00 0.00 C ATOM 708 CD LYS A 45 -10.207 -7.823 -7.412 1.00 0.00 C ATOM 709 CE LYS A 45 -10.431 -8.645 -8.673 1.00 0.00 C ATOM 710 NZ LYS A 45 -11.670 -9.467 -8.586 1.00 0.00 N ATOM 0 H LYS A 45 -7.517 -7.224 -4.841 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.537 -9.970 -5.027 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.618 -7.789 -7.140 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.867 -9.479 -7.530 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.874 -9.600 -6.256 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -9.524 -8.112 -5.398 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -11.169 -7.515 -7.002 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.661 -6.913 -7.662 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.496 -7.979 -9.534 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.573 -9.297 -8.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.787 -10.012 -9.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.597 -10.120 -7.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -12.492 -8.843 -8.453 1.00 0.00 H new ATOM 724 N ALA A 46 -4.949 -8.666 -6.632 1.00 0.00 N ATOM 725 CA ALA A 46 -3.627 -8.975 -7.162 1.00 0.00 C ATOM 726 C ALA A 46 -2.715 -9.530 -6.074 1.00 0.00 C ATOM 727 O ALA A 46 -1.985 -10.497 -6.295 1.00 0.00 O ATOM 728 CB ALA A 46 -3.007 -7.735 -7.790 1.00 0.00 C ATOM 0 H ALA A 46 -5.222 -7.688 -6.724 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.741 -9.740 -7.930 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.020 -7.980 -8.182 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.642 -7.382 -8.602 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.914 -6.953 -7.036 1.00 0.00 H new ATOM 734 N TYR A 47 -2.762 -8.914 -4.898 1.00 0.00 N ATOM 735 CA TYR A 47 -1.937 -9.345 -3.775 1.00 0.00 C ATOM 736 C TYR A 47 -2.075 -10.847 -3.544 1.00 0.00 C ATOM 737 O TYR A 47 -1.143 -11.612 -3.791 1.00 0.00 O ATOM 738 CB TYR A 47 -2.327 -8.584 -2.507 1.00 0.00 C ATOM 739 CG TYR A 47 -1.189 -8.420 -1.526 1.00 0.00 C ATOM 740 CD1 TYR A 47 -0.427 -9.511 -1.126 1.00 0.00 C ATOM 741 CD2 TYR A 47 -0.874 -7.173 -0.999 1.00 0.00 C ATOM 742 CE1 TYR A 47 0.613 -9.365 -0.229 1.00 0.00 C ATOM 743 CE2 TYR A 47 0.165 -7.017 -0.103 1.00 0.00 C ATOM 744 CZ TYR A 47 0.906 -8.117 0.280 1.00 0.00 C ATOM 745 OH TYR A 47 1.942 -7.967 1.173 1.00 0.00 O ATOM 0 H TYR A 47 -3.363 -8.114 -4.697 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.897 -9.127 -4.015 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.701 -7.599 -2.785 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -3.146 -9.109 -2.016 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.652 -10.490 -1.523 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.452 -6.311 -1.296 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.194 -10.224 0.072 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.397 -6.040 0.296 1.00 0.00 H new ATOM 0 HH TYR A 47 2.361 -8.837 1.337 1.00 0.00 H new ATOM 755 N CYS A 48 -3.244 -11.260 -3.068 1.00 0.00 N ATOM 756 CA CYS A 48 -3.506 -12.670 -2.802 1.00 0.00 C ATOM 757 C CYS A 48 -3.178 -13.524 -4.023 1.00 0.00 C ATOM 758 O CYS A 48 -2.760 -14.674 -3.893 1.00 0.00 O ATOM 759 CB CYS A 48 -4.968 -12.872 -2.402 1.00 0.00 C ATOM 760 SG CYS A 48 -5.455 -14.605 -2.233 1.00 0.00 S ATOM 0 H CYS A 48 -4.025 -10.639 -2.858 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.865 -12.984 -1.978 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.149 -12.361 -1.456 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.606 -12.398 -3.147 1.00 0.00 H new ATOM 0 HG CYS A 48 -6.695 -14.672 -1.849 1.00 0.00 H new ATOM 766 N GLU A 49 -3.373 -12.953 -5.207 1.00 0.00 N ATOM 767 CA GLU A 49 -3.099 -13.663 -6.451 1.00 0.00 C ATOM 768 C GLU A 49 -1.707 -14.287 -6.427 1.00 0.00 C ATOM 769 O GLU A 49 -1.512 -15.413 -6.884 1.00 0.00 O ATOM 770 CB GLU A 49 -3.224 -12.714 -7.645 1.00 0.00 C ATOM 771 CG GLU A 49 -3.648 -13.404 -8.930 1.00 0.00 C ATOM 772 CD GLU A 49 -4.249 -12.444 -9.937 1.00 0.00 C ATOM 773 OE1 GLU A 49 -3.692 -11.339 -10.109 1.00 0.00 O ATOM 774 OE2 GLU A 49 -5.277 -12.796 -10.554 1.00 0.00 O ATOM 0 H GLU A 49 -3.719 -12.002 -5.331 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.834 -14.461 -6.552 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.948 -11.935 -7.405 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.266 -12.220 -7.807 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.784 -13.897 -9.375 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.375 -14.182 -8.697 1.00 0.00 H new ATOM 781 N ARG A 50 -0.743 -13.547 -5.890 1.00 0.00 N ATOM 782 CA ARG A 50 0.632 -14.026 -5.808 1.00 0.00 C ATOM 783 C ARG A 50 0.955 -14.510 -4.397 1.00 0.00 C ATOM 784 O ARG A 50 1.702 -15.472 -4.218 1.00 0.00 O ATOM 785 CB ARG A 50 1.606 -12.918 -6.213 1.00 0.00 C ATOM 786 CG ARG A 50 2.215 -12.180 -5.032 1.00 0.00 C ATOM 787 CD ARG A 50 3.101 -11.032 -5.489 1.00 0.00 C ATOM 788 NE ARG A 50 3.976 -11.421 -6.592 1.00 0.00 N ATOM 789 CZ ARG A 50 4.549 -10.552 -7.417 1.00 0.00 C ATOM 790 NH1 ARG A 50 4.342 -9.252 -7.264 1.00 0.00 N ATOM 791 NH2 ARG A 50 5.333 -10.984 -8.397 1.00 0.00 N ATOM 0 H ARG A 50 -0.888 -12.614 -5.505 1.00 0.00 H new ATOM 0 HA ARG A 50 0.740 -14.865 -6.496 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.407 -13.351 -6.812 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.085 -12.202 -6.848 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.420 -11.795 -4.393 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.800 -12.875 -4.430 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.477 -10.194 -5.800 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.706 -10.685 -4.651 1.00 0.00 H new ATOM 0 HE ARG A 50 4.157 -12.414 -6.737 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.741 -8.916 -6.511 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.783 -8.587 -7.899 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.496 -11.984 -8.517 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.773 -10.316 -9.030 1.00 0.00 H new ATOM 805 N GLN A 51 0.387 -13.838 -3.401 1.00 0.00 N ATOM 806 CA GLN A 51 0.616 -14.200 -2.008 1.00 0.00 C ATOM 807 C GLN A 51 -0.626 -14.847 -1.402 1.00 0.00 C ATOM 808 O GLN A 51 -1.065 -14.473 -0.316 1.00 0.00 O ATOM 809 CB GLN A 51 1.009 -12.965 -1.196 1.00 0.00 C ATOM 810 CG GLN A 51 2.148 -13.215 -0.220 1.00 0.00 C ATOM 811 CD GLN A 51 2.025 -12.389 1.045 1.00 0.00 C ATOM 812 OE1 GLN A 51 2.886 -11.563 1.347 1.00 0.00 O ATOM 813 NE2 GLN A 51 0.949 -12.609 1.793 1.00 0.00 N ATOM 0 H GLN A 51 -0.235 -13.040 -3.533 1.00 0.00 H new ATOM 0 HA GLN A 51 1.432 -14.922 -1.976 1.00 0.00 H new ATOM 0 HB2 GLN A 51 1.297 -12.167 -1.880 1.00 0.00 H new ATOM 0 HB3 GLN A 51 0.139 -12.612 -0.643 1.00 0.00 H new ATOM 0 HG2 GLN A 51 2.171 -14.273 0.042 1.00 0.00 H new ATOM 0 HG3 GLN A 51 3.096 -12.987 -0.708 1.00 0.00 H new ATOM 0 HE21 GLN A 51 0.260 -13.304 1.504 1.00 0.00 H new ATOM 0 HE22 GLN A 51 0.812 -12.083 2.656 1.00 0.00 H new ATOM 822 N GLY A 52 -1.187 -15.820 -2.114 1.00 0.00 N ATOM 823 CA GLY A 52 -2.373 -16.502 -1.631 1.00 0.00 C ATOM 824 C GLY A 52 -2.066 -17.475 -0.509 1.00 0.00 C ATOM 825 O GLY A 52 -2.314 -18.675 -0.633 1.00 0.00 O ATOM 0 H GLY A 52 -0.841 -16.148 -3.016 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.095 -15.765 -1.281 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.841 -17.039 -2.456 1.00 0.00 H new ATOM 829 N LEU A 53 -1.524 -16.958 0.588 1.00 0.00 N ATOM 830 CA LEU A 53 -1.180 -17.790 1.736 1.00 0.00 C ATOM 831 C LEU A 53 -2.329 -17.835 2.739 1.00 0.00 C ATOM 832 O LEU A 53 -2.675 -18.898 3.254 1.00 0.00 O ATOM 833 CB LEU A 53 0.083 -17.259 2.415 1.00 0.00 C ATOM 834 CG LEU A 53 1.111 -16.597 1.497 1.00 0.00 C ATOM 835 CD1 LEU A 53 2.323 -16.140 2.294 1.00 0.00 C ATOM 836 CD2 LEU A 53 1.530 -17.553 0.388 1.00 0.00 C ATOM 0 H LEU A 53 -1.313 -15.967 0.707 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.994 -18.802 1.377 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.214 -16.537 3.175 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.568 -18.086 2.933 1.00 0.00 H new ATOM 0 HG LEU A 53 0.650 -15.721 1.040 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.044 -15.671 1.624 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.011 -15.421 3.051 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.785 -17.000 2.779 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.262 -17.065 -0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.972 -18.448 0.827 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.657 -17.831 -0.202 1.00 0.00 H new ATOM 848 N SER A 54 -2.918 -16.674 3.009 1.00 0.00 N ATOM 849 CA SER A 54 -4.027 -16.581 3.951 1.00 0.00 C ATOM 850 C SER A 54 -4.830 -15.305 3.720 1.00 0.00 C ATOM 851 O SER A 54 -4.661 -14.314 4.430 1.00 0.00 O ATOM 852 CB SER A 54 -3.507 -16.616 5.389 1.00 0.00 C ATOM 853 OG SER A 54 -2.352 -15.807 5.534 1.00 0.00 O ATOM 0 H SER A 54 -2.646 -15.785 2.589 1.00 0.00 H new ATOM 0 HA SER A 54 -4.682 -17.437 3.788 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.285 -16.269 6.069 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.273 -17.643 5.669 1.00 0.00 H new ATOM 0 HG SER A 54 -2.551 -14.896 5.232 1.00 0.00 H new ATOM 859 N MET A 55 -5.706 -15.338 2.720 1.00 0.00 N ATOM 860 CA MET A 55 -6.538 -14.185 2.395 1.00 0.00 C ATOM 861 C MET A 55 -7.488 -13.858 3.543 1.00 0.00 C ATOM 862 O MET A 55 -7.929 -12.718 3.691 1.00 0.00 O ATOM 863 CB MET A 55 -7.335 -14.449 1.117 1.00 0.00 C ATOM 864 CG MET A 55 -8.307 -13.334 0.766 1.00 0.00 C ATOM 865 SD MET A 55 -8.633 -13.227 -1.004 1.00 0.00 S ATOM 866 CE MET A 55 -9.872 -14.506 -1.198 1.00 0.00 C ATOM 0 H MET A 55 -5.858 -16.150 2.122 1.00 0.00 H new ATOM 0 HA MET A 55 -5.882 -13.329 2.235 1.00 0.00 H new ATOM 0 HB2 MET A 55 -6.641 -14.589 0.288 1.00 0.00 H new ATOM 0 HB3 MET A 55 -7.889 -15.381 1.230 1.00 0.00 H new ATOM 0 HG2 MET A 55 -9.246 -13.496 1.295 1.00 0.00 H new ATOM 0 HG3 MET A 55 -7.904 -12.383 1.115 1.00 0.00 H new ATOM 0 HE1 MET A 55 -10.176 -14.562 -2.243 1.00 0.00 H new ATOM 0 HE2 MET A 55 -9.456 -15.465 -0.889 1.00 0.00 H new ATOM 0 HE3 MET A 55 -10.739 -14.270 -0.580 1.00 0.00 H new ATOM 876 N ARG A 56 -7.799 -14.865 4.353 1.00 0.00 N ATOM 877 CA ARG A 56 -8.698 -14.685 5.486 1.00 0.00 C ATOM 878 C ARG A 56 -8.027 -13.869 6.587 1.00 0.00 C ATOM 879 O ARG A 56 -8.700 -13.255 7.414 1.00 0.00 O ATOM 880 CB ARG A 56 -9.136 -16.043 6.038 1.00 0.00 C ATOM 881 CG ARG A 56 -9.945 -15.946 7.321 1.00 0.00 C ATOM 882 CD ARG A 56 -10.307 -17.323 7.856 1.00 0.00 C ATOM 883 NE ARG A 56 -11.024 -18.123 6.867 1.00 0.00 N ATOM 884 CZ ARG A 56 -11.509 -19.335 7.114 1.00 0.00 C ATOM 885 NH1 ARG A 56 -11.355 -19.883 8.312 1.00 0.00 N ATOM 886 NH2 ARG A 56 -12.150 -20.001 6.163 1.00 0.00 N ATOM 0 H ARG A 56 -7.441 -15.814 4.245 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.577 -14.142 5.138 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.729 -16.559 5.283 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.252 -16.654 6.221 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.374 -15.401 8.072 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.855 -15.375 7.136 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.399 -17.846 8.156 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.922 -17.215 8.749 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.160 -17.730 5.936 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.863 -19.374 9.046 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.728 -20.814 8.499 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.271 -19.583 5.241 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.522 -20.931 6.354 1.00 0.00 H new ATOM 900 N GLN A 57 -6.698 -13.869 6.591 1.00 0.00 N ATOM 901 CA GLN A 57 -5.937 -13.130 7.591 1.00 0.00 C ATOM 902 C GLN A 57 -5.644 -11.711 7.113 1.00 0.00 C ATOM 903 O GLN A 57 -5.338 -10.827 7.914 1.00 0.00 O ATOM 904 CB GLN A 57 -4.628 -13.855 7.905 1.00 0.00 C ATOM 905 CG GLN A 57 -4.744 -14.854 9.045 1.00 0.00 C ATOM 906 CD GLN A 57 -5.633 -16.032 8.700 1.00 0.00 C ATOM 907 OE1 GLN A 57 -6.836 -15.876 8.488 1.00 0.00 O ATOM 908 NE2 GLN A 57 -5.045 -17.221 8.641 1.00 0.00 N ATOM 0 H GLN A 57 -6.126 -14.373 5.913 1.00 0.00 H new ATOM 0 HA GLN A 57 -6.538 -13.072 8.498 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.287 -14.376 7.010 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -3.865 -13.118 8.155 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -3.750 -15.218 9.307 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -5.141 -14.350 9.926 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.045 -17.305 8.824 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -5.593 -18.050 8.413 1.00 0.00 H new ATOM 917 N ILE A 58 -5.739 -11.501 5.805 1.00 0.00 N ATOM 918 CA ILE A 58 -5.485 -10.190 5.221 1.00 0.00 C ATOM 919 C ILE A 58 -6.452 -9.147 5.771 1.00 0.00 C ATOM 920 O ILE A 58 -7.663 -9.241 5.569 1.00 0.00 O ATOM 921 CB ILE A 58 -5.603 -10.224 3.686 1.00 0.00 C ATOM 922 CG1 ILE A 58 -4.609 -11.229 3.099 1.00 0.00 C ATOM 923 CG2 ILE A 58 -5.368 -8.838 3.106 1.00 0.00 C ATOM 924 CD1 ILE A 58 -3.162 -10.858 3.339 1.00 0.00 C ATOM 0 H ILE A 58 -5.990 -12.222 5.129 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.465 -9.916 5.492 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.611 -10.541 3.420 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.800 -12.211 3.531 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.781 -11.313 2.026 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.455 -8.878 2.020 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -6.111 -8.146 3.504 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.370 -8.494 3.378 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.514 -11.614 2.896 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.954 -9.890 2.883 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.974 -10.802 4.411 1.00 0.00 H new ATOM 936 N ARG A 59 -5.909 -8.152 6.465 1.00 0.00 N ATOM 937 CA ARG A 59 -6.724 -7.090 7.043 1.00 0.00 C ATOM 938 C ARG A 59 -5.884 -5.844 7.310 1.00 0.00 C ATOM 939 O ARG A 59 -4.873 -5.903 8.009 1.00 0.00 O ATOM 940 CB ARG A 59 -7.374 -7.568 8.343 1.00 0.00 C ATOM 941 CG ARG A 59 -6.382 -8.122 9.352 1.00 0.00 C ATOM 942 CD ARG A 59 -7.078 -8.959 10.415 1.00 0.00 C ATOM 943 NE ARG A 59 -7.669 -10.172 9.857 1.00 0.00 N ATOM 944 CZ ARG A 59 -8.411 -11.019 10.561 1.00 0.00 C ATOM 945 NH1 ARG A 59 -8.652 -10.785 11.844 1.00 0.00 N ATOM 946 NH2 ARG A 59 -8.914 -12.102 9.982 1.00 0.00 N ATOM 0 H ARG A 59 -4.909 -8.059 6.641 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.505 -6.834 6.327 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -7.914 -6.737 8.796 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -8.110 -8.337 8.110 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.639 -8.731 8.837 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.847 -7.300 9.827 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.361 -9.229 11.191 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.856 -8.364 10.893 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.503 -10.380 8.872 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.267 -9.953 12.292 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -9.222 -11.437 12.383 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -8.731 -12.285 8.995 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -9.484 -12.752 10.524 1.00 0.00 H new ATOM 960 N PHE A 60 -6.311 -4.718 6.747 1.00 0.00 N ATOM 961 CA PHE A 60 -5.598 -3.458 6.922 1.00 0.00 C ATOM 962 C PHE A 60 -5.899 -2.849 8.288 1.00 0.00 C ATOM 963 O PHE A 60 -7.058 -2.635 8.643 1.00 0.00 O ATOM 964 CB PHE A 60 -5.980 -2.473 5.816 1.00 0.00 C ATOM 965 CG PHE A 60 -5.276 -2.731 4.514 1.00 0.00 C ATOM 966 CD1 PHE A 60 -3.931 -2.431 4.368 1.00 0.00 C ATOM 967 CD2 PHE A 60 -5.959 -3.272 3.437 1.00 0.00 C ATOM 968 CE1 PHE A 60 -3.280 -2.667 3.171 1.00 0.00 C ATOM 969 CE2 PHE A 60 -5.314 -3.511 2.239 1.00 0.00 C ATOM 970 CZ PHE A 60 -3.973 -3.207 2.105 1.00 0.00 C ATOM 0 H PHE A 60 -7.147 -4.653 6.166 1.00 0.00 H new ATOM 0 HA PHE A 60 -4.529 -3.663 6.862 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -7.057 -2.521 5.653 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -5.753 -1.460 6.148 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -3.385 -2.008 5.198 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -7.008 -3.510 3.535 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -2.231 -2.429 3.070 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -5.858 -3.935 1.408 1.00 0.00 H new ATOM 0 HZ PHE A 60 -3.467 -3.391 1.169 1.00 0.00 H new ATOM 980 N ARG A 61 -4.846 -2.572 9.051 1.00 0.00 N ATOM 981 CA ARG A 61 -4.997 -1.988 10.379 1.00 0.00 C ATOM 982 C ARG A 61 -3.925 -0.933 10.634 1.00 0.00 C ATOM 983 O ARG A 61 -2.751 -1.139 10.325 1.00 0.00 O ATOM 984 CB ARG A 61 -4.920 -3.078 11.450 1.00 0.00 C ATOM 985 CG ARG A 61 -5.732 -2.766 12.696 1.00 0.00 C ATOM 986 CD ARG A 61 -5.985 -4.016 13.524 1.00 0.00 C ATOM 987 NE ARG A 61 -7.168 -4.743 13.070 1.00 0.00 N ATOM 988 CZ ARG A 61 -7.445 -5.992 13.428 1.00 0.00 C ATOM 989 NH1 ARG A 61 -6.628 -6.649 14.239 1.00 0.00 N ATOM 990 NH2 ARG A 61 -8.541 -6.586 12.974 1.00 0.00 N ATOM 0 H ARG A 61 -3.880 -2.742 8.772 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.974 -1.507 10.428 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.270 -4.019 11.025 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.878 -3.224 11.733 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.204 -2.029 13.301 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.684 -2.320 12.409 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.114 -4.670 13.469 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.110 -3.738 14.571 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.817 -4.266 12.444 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.784 -6.196 14.590 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.843 -7.608 14.512 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.172 -6.084 12.349 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.753 -7.545 13.249 1.00 0.00 H new ATOM 1004 N PHE A 62 -4.336 0.197 11.199 1.00 0.00 N ATOM 1005 CA PHE A 62 -3.412 1.285 11.494 1.00 0.00 C ATOM 1006 C PHE A 62 -3.182 1.411 12.997 1.00 0.00 C ATOM 1007 O PHE A 62 -3.999 0.961 13.801 1.00 0.00 O ATOM 1008 CB PHE A 62 -3.950 2.605 10.937 1.00 0.00 C ATOM 1009 CG PHE A 62 -2.946 3.722 10.967 1.00 0.00 C ATOM 1010 CD1 PHE A 62 -1.807 3.668 10.179 1.00 0.00 C ATOM 1011 CD2 PHE A 62 -3.141 4.825 11.781 1.00 0.00 C ATOM 1012 CE1 PHE A 62 -0.881 4.694 10.205 1.00 0.00 C ATOM 1013 CE2 PHE A 62 -2.219 5.854 11.811 1.00 0.00 C ATOM 1014 CZ PHE A 62 -1.088 5.789 11.021 1.00 0.00 C ATOM 0 H PHE A 62 -5.304 0.383 11.462 1.00 0.00 H new ATOM 0 HA PHE A 62 -2.459 1.058 11.016 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -4.278 2.450 9.909 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -4.828 2.901 11.511 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.641 2.815 9.538 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -4.024 4.882 12.400 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.004 4.639 9.588 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.383 6.708 12.451 1.00 0.00 H new ATOM 0 HZ PHE A 62 -0.367 6.593 11.041 1.00 0.00 H new ATOM 1024 N ASP A 63 -2.064 2.024 13.369 1.00 0.00 N ATOM 1025 CA ASP A 63 -1.725 2.210 14.775 1.00 0.00 C ATOM 1026 C ASP A 63 -2.552 3.335 15.390 1.00 0.00 C ATOM 1027 O ASP A 63 -2.007 4.320 15.887 1.00 0.00 O ATOM 1028 CB ASP A 63 -0.234 2.515 14.927 1.00 0.00 C ATOM 1029 CG ASP A 63 0.629 1.279 14.762 1.00 0.00 C ATOM 1030 OD1 ASP A 63 0.065 0.168 14.682 1.00 0.00 O ATOM 1031 OD2 ASP A 63 1.869 1.423 14.713 1.00 0.00 O ATOM 0 H ASP A 63 -1.377 2.401 12.716 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.954 1.284 15.303 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.059 3.260 14.188 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.054 2.952 15.909 1.00 0.00 H new ATOM 1036 N GLY A 64 -3.872 3.182 15.350 1.00 0.00 N ATOM 1037 CA GLY A 64 -4.753 4.194 15.905 1.00 0.00 C ATOM 1038 C GLY A 64 -6.206 3.763 15.900 1.00 0.00 C ATOM 1039 O GLY A 64 -6.965 4.111 16.804 1.00 0.00 O ATOM 0 H GLY A 64 -4.347 2.376 14.944 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.447 4.417 16.927 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.649 5.116 15.333 1.00 0.00 H new ATOM 1043 N GLN A 65 -6.593 3.004 14.880 1.00 0.00 N ATOM 1044 CA GLN A 65 -7.966 2.527 14.761 1.00 0.00 C ATOM 1045 C GLN A 65 -8.091 1.499 13.642 1.00 0.00 C ATOM 1046 O GLN A 65 -7.242 1.406 12.755 1.00 0.00 O ATOM 1047 CB GLN A 65 -8.915 3.699 14.501 1.00 0.00 C ATOM 1048 CG GLN A 65 -9.639 4.184 15.747 1.00 0.00 C ATOM 1049 CD GLN A 65 -11.018 4.734 15.443 1.00 0.00 C ATOM 1050 OE1 GLN A 65 -11.756 4.177 14.629 1.00 0.00 O ATOM 1051 NE2 GLN A 65 -11.375 5.833 16.097 1.00 0.00 N ATOM 0 H GLN A 65 -5.976 2.706 14.125 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.240 2.048 15.701 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.348 4.527 14.075 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -9.652 3.400 13.756 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -9.729 3.360 16.455 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -9.042 4.957 16.232 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -10.732 6.262 16.763 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -12.292 6.248 15.934 1.00 0.00 H new ATOM 1060 N PRO A 66 -9.173 0.707 13.683 1.00 0.00 N ATOM 1061 CA PRO A 66 -9.434 -0.329 12.679 1.00 0.00 C ATOM 1062 C PRO A 66 -9.794 0.259 11.319 1.00 0.00 C ATOM 1063 O PRO A 66 -10.132 1.439 11.212 1.00 0.00 O ATOM 1064 CB PRO A 66 -10.623 -1.096 13.262 1.00 0.00 C ATOM 1065 CG PRO A 66 -11.309 -0.115 14.149 1.00 0.00 C ATOM 1066 CD PRO A 66 -10.225 0.763 14.711 1.00 0.00 C ATOM 0 HA PRO A 66 -8.557 -0.950 12.496 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.289 -1.452 12.476 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -10.293 -1.972 13.821 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -12.037 0.473 13.591 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -11.852 -0.623 14.946 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -10.576 1.782 14.871 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -9.867 0.394 15.672 1.00 0.00 H new ATOM 1074 N ILE A 67 -9.721 -0.569 10.283 1.00 0.00 N ATOM 1075 CA ILE A 67 -10.041 -0.131 8.930 1.00 0.00 C ATOM 1076 C ILE A 67 -11.010 -1.095 8.255 1.00 0.00 C ATOM 1077 O ILE A 67 -11.040 -2.284 8.571 1.00 0.00 O ATOM 1078 CB ILE A 67 -8.774 -0.003 8.065 1.00 0.00 C ATOM 1079 CG1 ILE A 67 -7.658 0.684 8.854 1.00 0.00 C ATOM 1080 CG2 ILE A 67 -9.079 0.767 6.789 1.00 0.00 C ATOM 1081 CD1 ILE A 67 -6.368 0.828 8.077 1.00 0.00 C ATOM 0 H ILE A 67 -9.443 -1.548 10.355 1.00 0.00 H new ATOM 0 HA ILE A 67 -10.510 0.849 9.018 1.00 0.00 H new ATOM 0 HB ILE A 67 -8.437 -1.003 7.791 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -7.998 1.672 9.163 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -7.463 0.115 9.763 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -8.173 0.849 6.188 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -9.845 0.240 6.220 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -9.438 1.765 7.043 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.622 1.323 8.699 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.004 -0.159 7.790 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.547 1.423 7.181 1.00 0.00 H new ATOM 1093 N ASN A 68 -11.800 -0.575 7.321 1.00 0.00 N ATOM 1094 CA ASN A 68 -12.769 -1.390 6.599 1.00 0.00 C ATOM 1095 C ASN A 68 -12.150 -1.981 5.336 1.00 0.00 C ATOM 1096 O ASN A 68 -10.990 -1.717 5.020 1.00 0.00 O ATOM 1097 CB ASN A 68 -13.998 -0.555 6.234 1.00 0.00 C ATOM 1098 CG ASN A 68 -14.420 0.373 7.357 1.00 0.00 C ATOM 1099 OD1 ASN A 68 -14.176 0.096 8.531 1.00 0.00 O ATOM 1100 ND2 ASN A 68 -15.058 1.481 7.000 1.00 0.00 N ATOM 0 H ASN A 68 -11.788 0.407 7.047 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.074 -2.209 7.251 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -13.783 0.033 5.342 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.825 -1.220 5.985 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -15.367 2.143 7.712 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -15.239 1.670 6.014 1.00 0.00 H new ATOM 1107 N GLU A 69 -12.931 -2.782 4.618 1.00 0.00 N ATOM 1108 CA GLU A 69 -12.459 -3.410 3.390 1.00 0.00 C ATOM 1109 C GLU A 69 -12.709 -2.507 2.186 1.00 0.00 C ATOM 1110 O GLU A 69 -11.884 -2.424 1.275 1.00 0.00 O ATOM 1111 CB GLU A 69 -13.151 -4.759 3.182 1.00 0.00 C ATOM 1112 CG GLU A 69 -14.657 -4.651 3.016 1.00 0.00 C ATOM 1113 CD GLU A 69 -15.378 -5.935 3.380 1.00 0.00 C ATOM 1114 OE1 GLU A 69 -15.206 -6.409 4.522 1.00 0.00 O ATOM 1115 OE2 GLU A 69 -16.115 -6.465 2.522 1.00 0.00 O ATOM 0 H GLU A 69 -13.894 -3.011 4.866 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.385 -3.571 3.485 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.730 -5.241 2.300 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.933 -5.405 4.033 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.030 -3.840 3.641 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.887 -4.390 1.983 1.00 0.00 H new ATOM 1122 N THR A 70 -13.853 -1.831 2.188 1.00 0.00 N ATOM 1123 CA THR A 70 -14.214 -0.935 1.097 1.00 0.00 C ATOM 1124 C THR A 70 -13.834 0.506 1.419 1.00 0.00 C ATOM 1125 O THR A 70 -14.455 1.447 0.925 1.00 0.00 O ATOM 1126 CB THR A 70 -15.722 -1.000 0.791 1.00 0.00 C ATOM 1127 OG1 THR A 70 -16.017 -0.238 -0.384 1.00 0.00 O ATOM 1128 CG2 THR A 70 -16.535 -0.470 1.963 1.00 0.00 C ATOM 0 H THR A 70 -14.546 -1.887 2.934 1.00 0.00 H new ATOM 0 HA THR A 70 -13.658 -1.267 0.220 1.00 0.00 H new ATOM 0 HB THR A 70 -15.992 -2.043 0.624 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.579 0.637 -0.325 1.00 0.00 H new ATOM 0 HG21 THR A 70 -17.597 -0.526 1.724 1.00 0.00 H new ATOM 0 HG22 THR A 70 -16.330 -1.071 2.849 1.00 0.00 H new ATOM 0 HG23 THR A 70 -16.261 0.567 2.157 1.00 0.00 H new ATOM 1136 N ASP A 71 -12.810 0.670 2.250 1.00 0.00 N ATOM 1137 CA ASP A 71 -12.346 1.998 2.637 1.00 0.00 C ATOM 1138 C ASP A 71 -11.279 2.503 1.672 1.00 0.00 C ATOM 1139 O ASP A 71 -10.910 1.814 0.720 1.00 0.00 O ATOM 1140 CB ASP A 71 -11.791 1.971 4.062 1.00 0.00 C ATOM 1141 CG ASP A 71 -10.316 1.624 4.103 1.00 0.00 C ATOM 1142 OD1 ASP A 71 -9.973 0.457 3.820 1.00 0.00 O ATOM 1143 OD2 ASP A 71 -9.505 2.519 4.417 1.00 0.00 O ATOM 0 H ASP A 71 -12.286 -0.099 2.668 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.196 2.679 2.599 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.945 2.945 4.527 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -12.349 1.244 4.652 1.00 0.00 H new ATOM 1148 N THR A 72 -10.786 3.712 1.923 1.00 0.00 N ATOM 1149 CA THR A 72 -9.763 4.311 1.075 1.00 0.00 C ATOM 1150 C THR A 72 -8.795 5.156 1.895 1.00 0.00 C ATOM 1151 O THR A 72 -9.142 5.699 2.944 1.00 0.00 O ATOM 1152 CB THR A 72 -10.388 5.190 -0.025 1.00 0.00 C ATOM 1153 OG1 THR A 72 -10.998 6.346 0.559 1.00 0.00 O ATOM 1154 CG2 THR A 72 -11.425 4.408 -0.817 1.00 0.00 C ATOM 0 H THR A 72 -11.079 4.295 2.707 1.00 0.00 H new ATOM 0 HA THR A 72 -9.219 3.490 0.608 1.00 0.00 H new ATOM 0 HB THR A 72 -9.595 5.503 -0.704 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.391 6.900 -0.147 1.00 0.00 H new ATOM 0 HG21 THR A 72 -11.853 5.049 -1.588 1.00 0.00 H new ATOM 0 HG22 THR A 72 -10.951 3.545 -1.284 1.00 0.00 H new ATOM 0 HG23 THR A 72 -12.215 4.069 -0.147 1.00 0.00 H new ATOM 1162 N PRO A 73 -7.550 5.273 1.408 1.00 0.00 N ATOM 1163 CA PRO A 73 -6.507 6.052 2.081 1.00 0.00 C ATOM 1164 C PRO A 73 -6.775 7.552 2.022 1.00 0.00 C ATOM 1165 O PRO A 73 -6.501 8.279 2.977 1.00 0.00 O ATOM 1166 CB PRO A 73 -5.241 5.704 1.293 1.00 0.00 C ATOM 1167 CG PRO A 73 -5.732 5.309 -0.057 1.00 0.00 C ATOM 1168 CD PRO A 73 -7.067 4.653 0.163 1.00 0.00 C ATOM 0 HA PRO A 73 -6.443 5.816 3.143 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.564 6.556 1.234 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.690 4.892 1.767 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.827 6.179 -0.707 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -5.036 4.624 -0.540 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.747 4.838 -0.668 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.972 3.572 0.263 1.00 0.00 H new ATOM 1176 N ALA A 74 -7.313 8.009 0.896 1.00 0.00 N ATOM 1177 CA ALA A 74 -7.621 9.422 0.715 1.00 0.00 C ATOM 1178 C ALA A 74 -8.651 9.895 1.735 1.00 0.00 C ATOM 1179 O ALA A 74 -8.725 11.082 2.050 1.00 0.00 O ATOM 1180 CB ALA A 74 -8.120 9.676 -0.700 1.00 0.00 C ATOM 0 H ALA A 74 -7.545 7.421 0.095 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.705 9.991 0.873 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.346 10.735 -0.821 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.350 9.385 -1.415 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.021 9.090 -0.879 1.00 0.00 H new ATOM 1186 N GLN A 75 -9.444 8.959 2.245 1.00 0.00 N ATOM 1187 CA GLN A 75 -10.471 9.281 3.229 1.00 0.00 C ATOM 1188 C GLN A 75 -9.966 9.032 4.646 1.00 0.00 C ATOM 1189 O GLN A 75 -10.741 9.035 5.603 1.00 0.00 O ATOM 1190 CB GLN A 75 -11.732 8.454 2.971 1.00 0.00 C ATOM 1191 CG GLN A 75 -12.992 9.067 3.559 1.00 0.00 C ATOM 1192 CD GLN A 75 -14.141 8.080 3.633 1.00 0.00 C ATOM 1193 OE1 GLN A 75 -14.007 6.923 3.235 1.00 0.00 O ATOM 1194 NE2 GLN A 75 -15.279 8.534 4.145 1.00 0.00 N ATOM 0 H GLN A 75 -9.395 7.972 1.993 1.00 0.00 H new ATOM 0 HA GLN A 75 -10.713 10.339 3.131 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.864 8.334 1.896 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -11.594 7.457 3.389 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -12.776 9.443 4.559 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -13.292 9.923 2.954 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -15.345 9.501 4.463 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -16.087 7.916 4.221 1.00 0.00 H new ATOM 1203 N LEU A 76 -8.661 8.816 4.774 1.00 0.00 N ATOM 1204 CA LEU A 76 -8.051 8.564 6.075 1.00 0.00 C ATOM 1205 C LEU A 76 -6.776 9.384 6.246 1.00 0.00 C ATOM 1206 O LEU A 76 -6.053 9.226 7.229 1.00 0.00 O ATOM 1207 CB LEU A 76 -7.739 7.075 6.234 1.00 0.00 C ATOM 1208 CG LEU A 76 -8.847 6.220 6.850 1.00 0.00 C ATOM 1209 CD1 LEU A 76 -9.780 5.695 5.770 1.00 0.00 C ATOM 1210 CD2 LEU A 76 -8.251 5.069 7.648 1.00 0.00 C ATOM 0 H LEU A 76 -8.005 8.810 3.993 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.760 8.864 6.846 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.497 6.668 5.252 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.845 6.975 6.850 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.427 6.845 7.529 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.562 5.089 6.228 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.234 6.534 5.242 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.214 5.086 5.065 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.054 4.471 8.079 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.647 4.445 6.990 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.625 5.466 8.447 1.00 0.00 H new ATOM 1222 N GLU A 77 -6.508 10.261 5.284 1.00 0.00 N ATOM 1223 CA GLU A 77 -5.321 11.106 5.330 1.00 0.00 C ATOM 1224 C GLU A 77 -4.069 10.271 5.581 1.00 0.00 C ATOM 1225 O GLU A 77 -3.271 10.581 6.465 1.00 0.00 O ATOM 1226 CB GLU A 77 -5.466 12.169 6.421 1.00 0.00 C ATOM 1227 CG GLU A 77 -6.821 12.857 6.424 1.00 0.00 C ATOM 1228 CD GLU A 77 -6.976 13.836 7.572 1.00 0.00 C ATOM 1229 OE1 GLU A 77 -6.407 14.944 7.486 1.00 0.00 O ATOM 1230 OE2 GLU A 77 -7.665 13.493 8.555 1.00 0.00 O ATOM 0 H GLU A 77 -7.097 10.405 4.464 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.220 11.600 4.364 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.302 11.704 7.393 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.687 12.920 6.291 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.958 13.385 5.480 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.607 12.104 6.485 1.00 0.00 H new ATOM 1237 N MET A 78 -3.904 9.211 4.796 1.00 0.00 N ATOM 1238 CA MET A 78 -2.749 8.332 4.933 1.00 0.00 C ATOM 1239 C MET A 78 -1.875 8.385 3.684 1.00 0.00 C ATOM 1240 O MET A 78 -1.964 7.518 2.816 1.00 0.00 O ATOM 1241 CB MET A 78 -3.203 6.894 5.191 1.00 0.00 C ATOM 1242 CG MET A 78 -4.283 6.779 6.254 1.00 0.00 C ATOM 1243 SD MET A 78 -3.966 5.445 7.425 1.00 0.00 S ATOM 1244 CE MET A 78 -4.770 4.073 6.601 1.00 0.00 C ATOM 0 H MET A 78 -4.555 8.940 4.059 1.00 0.00 H new ATOM 0 HA MET A 78 -2.160 8.677 5.783 1.00 0.00 H new ATOM 0 HB2 MET A 78 -3.574 6.466 4.260 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.342 6.299 5.494 1.00 0.00 H new ATOM 0 HG2 MET A 78 -4.357 7.722 6.795 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.246 6.612 5.771 1.00 0.00 H new ATOM 0 HE1 MET A 78 -4.691 3.180 7.221 1.00 0.00 H new ATOM 0 HE2 MET A 78 -5.821 4.311 6.439 1.00 0.00 H new ATOM 0 HE3 MET A 78 -4.287 3.892 5.641 1.00 0.00 H new ATOM 1254 N GLU A 79 -1.030 9.409 3.601 1.00 0.00 N ATOM 1255 CA GLU A 79 -0.142 9.574 2.457 1.00 0.00 C ATOM 1256 C GLU A 79 1.269 9.939 2.911 1.00 0.00 C ATOM 1257 O GLU A 79 1.601 9.825 4.091 1.00 0.00 O ATOM 1258 CB GLU A 79 -0.681 10.653 1.515 1.00 0.00 C ATOM 1259 CG GLU A 79 -2.197 10.761 1.518 1.00 0.00 C ATOM 1260 CD GLU A 79 -2.717 11.701 0.448 1.00 0.00 C ATOM 1261 OE1 GLU A 79 -1.897 12.429 -0.150 1.00 0.00 O ATOM 1262 OE2 GLU A 79 -3.942 11.709 0.208 1.00 0.00 O ATOM 0 H GLU A 79 -0.942 10.135 4.312 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.100 8.624 1.924 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.256 11.616 1.798 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.342 10.441 0.501 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.628 9.771 1.368 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.531 11.109 2.496 1.00 0.00 H new ATOM 1269 N ASP A 80 2.093 10.379 1.967 1.00 0.00 N ATOM 1270 CA ASP A 80 3.467 10.761 2.269 1.00 0.00 C ATOM 1271 C ASP A 80 4.270 9.561 2.761 1.00 0.00 C ATOM 1272 O ASP A 80 4.979 9.646 3.763 1.00 0.00 O ATOM 1273 CB ASP A 80 3.490 11.872 3.321 1.00 0.00 C ATOM 1274 CG ASP A 80 2.364 12.869 3.135 1.00 0.00 C ATOM 1275 OD1 ASP A 80 2.193 13.367 2.002 1.00 0.00 O ATOM 1276 OD2 ASP A 80 1.653 13.152 4.122 1.00 0.00 O ATOM 0 H ASP A 80 1.833 10.480 0.986 1.00 0.00 H new ATOM 0 HA ASP A 80 3.925 11.130 1.351 1.00 0.00 H new ATOM 0 HB2 ASP A 80 3.419 11.429 4.314 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.445 12.394 3.273 1.00 0.00 H new ATOM 1281 N GLU A 81 4.152 8.444 2.050 1.00 0.00 N ATOM 1282 CA GLU A 81 4.865 7.227 2.416 1.00 0.00 C ATOM 1283 C GLU A 81 4.376 6.693 3.759 1.00 0.00 C ATOM 1284 O GLU A 81 5.174 6.390 4.647 1.00 0.00 O ATOM 1285 CB GLU A 81 6.371 7.490 2.477 1.00 0.00 C ATOM 1286 CG GLU A 81 6.896 8.299 1.302 1.00 0.00 C ATOM 1287 CD GLU A 81 8.399 8.493 1.353 1.00 0.00 C ATOM 1288 OE1 GLU A 81 8.938 8.664 2.466 1.00 0.00 O ATOM 1289 OE2 GLU A 81 9.035 8.474 0.279 1.00 0.00 O ATOM 0 H GLU A 81 3.569 8.357 1.217 1.00 0.00 H new ATOM 0 HA GLU A 81 4.666 6.476 1.652 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.602 8.017 3.403 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.897 6.536 2.514 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.630 7.797 0.372 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.408 9.273 1.289 1.00 0.00 H new ATOM 1296 N ASP A 82 3.060 6.580 3.901 1.00 0.00 N ATOM 1297 CA ASP A 82 2.463 6.083 5.135 1.00 0.00 C ATOM 1298 C ASP A 82 2.480 4.558 5.170 1.00 0.00 C ATOM 1299 O ASP A 82 2.084 3.898 4.209 1.00 0.00 O ATOM 1300 CB ASP A 82 1.028 6.592 5.274 1.00 0.00 C ATOM 1301 CG ASP A 82 0.732 7.117 6.666 1.00 0.00 C ATOM 1302 OD1 ASP A 82 0.498 6.291 7.574 1.00 0.00 O ATOM 1303 OD2 ASP A 82 0.736 8.352 6.847 1.00 0.00 O ATOM 0 H ASP A 82 2.386 6.826 3.176 1.00 0.00 H new ATOM 0 HA ASP A 82 3.055 6.455 5.971 1.00 0.00 H new ATOM 0 HB2 ASP A 82 0.854 7.384 4.546 1.00 0.00 H new ATOM 0 HB3 ASP A 82 0.335 5.785 5.038 1.00 0.00 H new ATOM 1308 N THR A 83 2.944 4.002 6.285 1.00 0.00 N ATOM 1309 CA THR A 83 3.016 2.555 6.446 1.00 0.00 C ATOM 1310 C THR A 83 1.818 2.029 7.228 1.00 0.00 C ATOM 1311 O THR A 83 1.698 2.266 8.431 1.00 0.00 O ATOM 1312 CB THR A 83 4.310 2.133 7.165 1.00 0.00 C ATOM 1313 OG1 THR A 83 5.437 2.787 6.571 1.00 0.00 O ATOM 1314 CG2 THR A 83 4.500 0.625 7.098 1.00 0.00 C ATOM 0 H THR A 83 3.276 4.533 7.090 1.00 0.00 H new ATOM 0 HA THR A 83 3.010 2.125 5.444 1.00 0.00 H new ATOM 0 HB THR A 83 4.229 2.427 8.211 1.00 0.00 H new ATOM 0 HG1 THR A 83 6.256 2.514 7.035 1.00 0.00 H new ATOM 0 HG21 THR A 83 5.421 0.351 7.613 1.00 0.00 H new ATOM 0 HG22 THR A 83 3.655 0.130 7.577 1.00 0.00 H new ATOM 0 HG23 THR A 83 4.560 0.312 6.056 1.00 0.00 H new ATOM 1322 N ILE A 84 0.935 1.314 6.539 1.00 0.00 N ATOM 1323 CA ILE A 84 -0.253 0.752 7.172 1.00 0.00 C ATOM 1324 C ILE A 84 -0.024 -0.698 7.581 1.00 0.00 C ATOM 1325 O ILE A 84 0.297 -1.546 6.748 1.00 0.00 O ATOM 1326 CB ILE A 84 -1.475 0.823 6.237 1.00 0.00 C ATOM 1327 CG1 ILE A 84 -1.710 2.264 5.778 1.00 0.00 C ATOM 1328 CG2 ILE A 84 -2.710 0.277 6.938 1.00 0.00 C ATOM 1329 CD1 ILE A 84 -0.981 2.617 4.500 1.00 0.00 C ATOM 0 H ILE A 84 1.019 1.110 5.543 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.450 1.351 8.061 1.00 0.00 H new ATOM 0 HB ILE A 84 -1.278 0.209 5.358 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.779 2.421 5.632 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.393 2.945 6.568 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.565 0.334 6.265 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.539 -0.762 7.220 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.912 0.867 7.832 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.193 3.653 4.234 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.092 2.493 4.647 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.316 1.960 3.697 1.00 0.00 H new ATOM 1341 N ASP A 85 -0.192 -0.977 8.869 1.00 0.00 N ATOM 1342 CA ASP A 85 -0.007 -2.327 9.390 1.00 0.00 C ATOM 1343 C ASP A 85 -1.051 -3.279 8.816 1.00 0.00 C ATOM 1344 O ASP A 85 -2.169 -2.873 8.498 1.00 0.00 O ATOM 1345 CB ASP A 85 -0.087 -2.323 10.917 1.00 0.00 C ATOM 1346 CG ASP A 85 1.279 -2.229 11.569 1.00 0.00 C ATOM 1347 OD1 ASP A 85 2.239 -1.828 10.878 1.00 0.00 O ATOM 1348 OD2 ASP A 85 1.386 -2.555 12.769 1.00 0.00 O ATOM 0 H ASP A 85 -0.456 -0.286 9.572 1.00 0.00 H new ATOM 0 HA ASP A 85 0.981 -2.674 9.087 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.701 -1.483 11.243 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -0.585 -3.232 11.254 1.00 0.00 H new ATOM 1353 N VAL A 86 -0.679 -4.548 8.685 1.00 0.00 N ATOM 1354 CA VAL A 86 -1.583 -5.559 8.149 1.00 0.00 C ATOM 1355 C VAL A 86 -1.334 -6.917 8.795 1.00 0.00 C ATOM 1356 O VAL A 86 -0.195 -7.276 9.092 1.00 0.00 O ATOM 1357 CB VAL A 86 -1.433 -5.693 6.622 1.00 0.00 C ATOM 1358 CG1 VAL A 86 -2.326 -6.806 6.093 1.00 0.00 C ATOM 1359 CG2 VAL A 86 -1.751 -4.373 5.937 1.00 0.00 C ATOM 0 H VAL A 86 0.243 -4.901 8.943 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.597 -5.231 8.379 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.398 -5.952 6.398 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.207 -6.886 5.013 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.046 -7.750 6.560 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -3.366 -6.580 6.327 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.640 -4.487 4.859 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.776 -4.081 6.167 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.066 -3.604 6.293 1.00 0.00 H new ATOM 1369 N PHE A 87 -2.408 -7.670 9.009 1.00 0.00 N ATOM 1370 CA PHE A 87 -2.307 -8.990 9.620 1.00 0.00 C ATOM 1371 C PHE A 87 -2.166 -10.073 8.555 1.00 0.00 C ATOM 1372 O PHE A 87 -2.874 -10.063 7.549 1.00 0.00 O ATOM 1373 CB PHE A 87 -3.535 -9.269 10.489 1.00 0.00 C ATOM 1374 CG PHE A 87 -3.246 -10.148 11.672 1.00 0.00 C ATOM 1375 CD1 PHE A 87 -3.134 -11.521 11.521 1.00 0.00 C ATOM 1376 CD2 PHE A 87 -3.085 -9.602 12.935 1.00 0.00 C ATOM 1377 CE1 PHE A 87 -2.869 -12.332 12.608 1.00 0.00 C ATOM 1378 CE2 PHE A 87 -2.820 -10.408 14.026 1.00 0.00 C ATOM 1379 CZ PHE A 87 -2.710 -11.775 13.862 1.00 0.00 C ATOM 0 H PHE A 87 -3.358 -7.388 8.768 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.416 -9.005 10.248 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -3.943 -8.322 10.842 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.304 -9.739 9.876 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.255 -11.962 10.543 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.168 -8.533 13.069 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -2.786 -13.401 12.477 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -2.699 -9.969 15.006 1.00 0.00 H new ATOM 0 HZ PHE A 87 -2.500 -12.407 14.712 1.00 0.00 H new ATOM 1389 N GLN A 88 -1.247 -11.006 8.785 1.00 0.00 N ATOM 1390 CA GLN A 88 -1.012 -12.095 7.845 1.00 0.00 C ATOM 1391 C GLN A 88 -0.617 -13.372 8.579 1.00 0.00 C ATOM 1392 O GLN A 88 -0.308 -13.343 9.770 1.00 0.00 O ATOM 1393 CB GLN A 88 0.079 -11.708 6.846 1.00 0.00 C ATOM 1394 CG GLN A 88 -0.185 -10.390 6.136 1.00 0.00 C ATOM 1395 CD GLN A 88 0.875 -10.061 5.103 1.00 0.00 C ATOM 1396 OE1 GLN A 88 1.384 -10.947 4.416 1.00 0.00 O ATOM 1397 NE2 GLN A 88 1.213 -8.782 4.988 1.00 0.00 N ATOM 0 H GLN A 88 -0.653 -11.029 9.614 1.00 0.00 H new ATOM 0 HA GLN A 88 -1.940 -12.281 7.304 1.00 0.00 H new ATOM 0 HB2 GLN A 88 1.033 -11.644 7.369 1.00 0.00 H new ATOM 0 HB3 GLN A 88 0.176 -12.499 6.102 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.160 -10.432 5.650 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.231 -9.588 6.872 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.765 -8.081 5.578 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.921 -8.501 4.309 1.00 0.00 H new ATOM 1406 N GLN A 89 -0.630 -14.490 7.861 1.00 0.00 N ATOM 1407 CA GLN A 89 -0.274 -15.777 8.445 1.00 0.00 C ATOM 1408 C GLN A 89 1.017 -16.314 7.835 1.00 0.00 C ATOM 1409 O GLN A 89 1.170 -17.520 7.644 1.00 0.00 O ATOM 1410 CB GLN A 89 -1.406 -16.785 8.240 1.00 0.00 C ATOM 1411 CG GLN A 89 -1.494 -17.833 9.338 1.00 0.00 C ATOM 1412 CD GLN A 89 -1.661 -17.223 10.715 1.00 0.00 C ATOM 1413 OE1 GLN A 89 -2.314 -16.191 10.875 1.00 0.00 O ATOM 1414 NE2 GLN A 89 -1.070 -17.858 11.720 1.00 0.00 N ATOM 0 H GLN A 89 -0.883 -14.530 6.874 1.00 0.00 H new ATOM 0 HA GLN A 89 -0.116 -15.631 9.514 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -2.353 -16.249 8.184 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -1.266 -17.286 7.282 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.334 -18.497 9.135 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -0.593 -18.446 9.323 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -0.538 -18.710 11.543 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -1.147 -17.494 12.670 1.00 0.00 H new ATOM 1423 N GLN A 90 1.943 -15.409 7.533 1.00 0.00 N ATOM 1424 CA GLN A 90 3.221 -15.792 6.943 1.00 0.00 C ATOM 1425 C GLN A 90 4.136 -16.420 7.989 1.00 0.00 C ATOM 1426 O GLN A 90 3.902 -16.294 9.192 1.00 0.00 O ATOM 1427 CB GLN A 90 3.902 -14.575 6.316 1.00 0.00 C ATOM 1428 CG GLN A 90 5.017 -14.935 5.346 1.00 0.00 C ATOM 1429 CD GLN A 90 5.390 -13.783 4.434 1.00 0.00 C ATOM 1430 OE1 GLN A 90 4.671 -13.469 3.485 1.00 0.00 O ATOM 1431 NE2 GLN A 90 6.521 -13.147 4.716 1.00 0.00 N ATOM 0 H GLN A 90 1.832 -14.407 7.687 1.00 0.00 H new ATOM 0 HA GLN A 90 3.028 -16.531 6.166 1.00 0.00 H new ATOM 0 HB2 GLN A 90 3.154 -13.980 5.792 1.00 0.00 H new ATOM 0 HB3 GLN A 90 4.310 -13.948 7.109 1.00 0.00 H new ATOM 0 HG2 GLN A 90 5.897 -15.248 5.909 1.00 0.00 H new ATOM 0 HG3 GLN A 90 4.706 -15.787 4.741 1.00 0.00 H new ATOM 0 HE21 GLN A 90 7.086 -13.441 5.513 1.00 0.00 H new ATOM 0 HE22 GLN A 90 6.824 -12.365 4.136 1.00 0.00 H new ATOM 1440 N THR A 91 5.182 -17.097 7.524 1.00 0.00 N ATOM 1441 CA THR A 91 6.132 -17.745 8.419 1.00 0.00 C ATOM 1442 C THR A 91 7.446 -16.974 8.478 1.00 0.00 C ATOM 1443 O THR A 91 8.477 -17.448 8.004 1.00 0.00 O ATOM 1444 CB THR A 91 6.419 -19.193 7.979 1.00 0.00 C ATOM 1445 OG1 THR A 91 7.494 -19.736 8.754 1.00 0.00 O ATOM 1446 CG2 THR A 91 6.774 -19.250 6.501 1.00 0.00 C ATOM 0 H THR A 91 5.392 -17.210 6.532 1.00 0.00 H new ATOM 0 HA THR A 91 5.676 -17.757 9.409 1.00 0.00 H new ATOM 0 HB THR A 91 5.518 -19.784 8.143 1.00 0.00 H new ATOM 0 HG1 THR A 91 8.308 -19.213 8.597 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.972 -20.283 6.214 1.00 0.00 H new ATOM 0 HG22 THR A 91 5.943 -18.863 5.912 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.662 -18.645 6.316 1.00 0.00 H new ATOM 1454 N GLY A 92 7.401 -15.781 9.064 1.00 0.00 N ATOM 1455 CA GLY A 92 8.595 -14.964 9.175 1.00 0.00 C ATOM 1456 C GLY A 92 8.527 -13.993 10.337 1.00 0.00 C ATOM 1457 O GLY A 92 7.590 -13.203 10.441 1.00 0.00 O ATOM 0 H GLY A 92 6.559 -15.366 9.464 1.00 0.00 H new ATOM 0 HA2 GLY A 92 9.464 -15.611 9.296 1.00 0.00 H new ATOM 0 HA3 GLY A 92 8.738 -14.408 8.249 1.00 0.00 H new ATOM 1461 N GLY A 93 9.524 -14.054 11.216 1.00 0.00 N ATOM 1462 CA GLY A 93 9.553 -13.169 12.366 1.00 0.00 C ATOM 1463 C GLY A 93 10.666 -12.143 12.280 1.00 0.00 C ATOM 1464 O GLY A 93 11.827 -12.452 12.546 1.00 0.00 O ATOM 0 H GLY A 93 10.311 -14.700 11.152 1.00 0.00 H new ATOM 0 HA2 GLY A 93 8.595 -12.655 12.450 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.678 -13.761 13.273 1.00 0.00 H new ATOM 1468 N VAL A 94 10.311 -10.918 11.905 1.00 0.00 N ATOM 1469 CA VAL A 94 11.288 -9.843 11.784 1.00 0.00 C ATOM 1470 C VAL A 94 11.007 -8.729 12.786 1.00 0.00 C ATOM 1471 O VAL A 94 11.771 -8.520 13.728 1.00 0.00 O ATOM 1472 CB VAL A 94 11.297 -9.250 10.362 1.00 0.00 C ATOM 1473 CG1 VAL A 94 12.329 -8.138 10.253 1.00 0.00 C ATOM 1474 CG2 VAL A 94 11.563 -10.338 9.333 1.00 0.00 C ATOM 0 H VAL A 94 9.354 -10.646 11.680 1.00 0.00 H new ATOM 0 HA VAL A 94 12.265 -10.278 11.994 1.00 0.00 H new ATOM 0 HB VAL A 94 10.315 -8.822 10.160 1.00 0.00 H new ATOM 0 HG11 VAL A 94 12.321 -7.732 9.242 1.00 0.00 H new ATOM 0 HG12 VAL A 94 12.088 -7.347 10.964 1.00 0.00 H new ATOM 0 HG13 VAL A 94 13.319 -8.537 10.475 1.00 0.00 H new ATOM 0 HG21 VAL A 94 11.566 -9.901 8.334 1.00 0.00 H new ATOM 0 HG22 VAL A 94 12.532 -10.797 9.531 1.00 0.00 H new ATOM 0 HG23 VAL A 94 10.782 -11.096 9.395 1.00 0.00 H new ATOM 1484 N TYR A 95 9.905 -8.017 12.576 1.00 0.00 N ATOM 1485 CA TYR A 95 9.523 -6.922 13.460 1.00 0.00 C ATOM 1486 C TYR A 95 8.843 -7.450 14.719 1.00 0.00 C ATOM 1487 O TYR A 95 7.771 -6.982 15.100 1.00 0.00 O ATOM 1488 CB TYR A 95 8.591 -5.952 12.731 1.00 0.00 C ATOM 1489 CG TYR A 95 8.712 -4.523 13.209 1.00 0.00 C ATOM 1490 CD1 TYR A 95 9.683 -3.676 12.689 1.00 0.00 C ATOM 1491 CD2 TYR A 95 7.856 -4.019 14.180 1.00 0.00 C ATOM 1492 CE1 TYR A 95 9.798 -2.369 13.122 1.00 0.00 C ATOM 1493 CE2 TYR A 95 7.962 -2.713 14.618 1.00 0.00 C ATOM 1494 CZ TYR A 95 8.935 -1.892 14.087 1.00 0.00 C ATOM 1495 OH TYR A 95 9.045 -0.591 14.522 1.00 0.00 O ATOM 0 H TYR A 95 9.261 -8.178 11.802 1.00 0.00 H new ATOM 0 HA TYR A 95 10.429 -6.393 13.754 1.00 0.00 H new ATOM 0 HB2 TYR A 95 8.805 -5.989 11.663 1.00 0.00 H new ATOM 0 HB3 TYR A 95 7.561 -6.284 12.861 1.00 0.00 H new ATOM 0 HD1 TYR A 95 10.360 -4.046 11.933 1.00 0.00 H new ATOM 0 HD2 TYR A 95 7.094 -4.659 14.600 1.00 0.00 H new ATOM 0 HE1 TYR A 95 10.559 -1.724 12.707 1.00 0.00 H new ATOM 0 HE2 TYR A 95 7.287 -2.337 15.372 1.00 0.00 H new ATOM 0 HH TYR A 95 8.362 -0.415 15.202 1.00 0.00 H new TER 1505 TYR A 95