USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 738 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 18 ASN : amide:sc= -0.915 K(o=-1.2,f=-0.64) USER MOD Set 1.2: A 47 TYR OH : rot 180:sc= -0.309 USER MOD Single : A 1 ALA N :NH3+ -168:sc= 0 (180deg=-0.132) USER MOD Single : A 7 ASN : amide:sc= -0.257 X(o=-0.26,f=-0.21) USER MOD Single : A 8 LYS NZ :NH3+ 160:sc= -0.123 (180deg=-0.266) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 148:sc= -0.841 (180deg=-3.67!) USER MOD Single : A 14 ASN : amide:sc= -0.84 X(o=-0.84,f=-0.97!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0.00492 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.927 K(o=-0.93,f=-0.19) USER MOD Single : A 25 SER OG : rot 160:sc= 0.13 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.406 K(o=-0.41,f=-2.4!) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.0377 K(o=-0.038,f=-0.74) USER MOD Single : A 51 SER OG : rot 160:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.0314 K(o=-0.031,f=-1.8!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.631 K(o=-0.63,f=-2.5) USER MOD Single : A 61 ASN : amide:sc= 0.118 X(o=0.12,f=0) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -2.3 K(o=-2.3,f=-1.6) USER MOD Single : A 67 LYS NZ :NH3+ -165:sc= 0.0415 (180deg=0.00455) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0.0881 USER MOD Single : A 79 ASN : amide:sc= -1.15 K(o=-1.2,f=-0.42) USER MOD Single : A 80 ASN : amide:sc= -0.0937 K(o=-0.094,f=-0.72) USER MOD Single : A 82 SER OG : rot 74:sc= 1.24 USER MOD Single : A 88 ASN : amide:sc= -0.171 K(o=-0.17,f=-2.1!) USER MOD Single : A 91 HIS : no HD1:sc= -0.737 K(o=-0.74,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -15.357 13.778 -3.494 1.00 0.00 N ATOM 2 CA ALA A 1 -15.290 12.959 -4.737 1.00 0.00 C ATOM 3 C ALA A 1 -13.861 12.976 -5.284 1.00 0.00 C ATOM 4 O ALA A 1 -13.373 11.989 -5.801 1.00 0.00 O ATOM 5 CB ALA A 1 -16.245 13.538 -5.783 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.263 13.606 -3.013 1.00 0.00 H new ATOM 0 H2 ALA A 1 -14.574 13.515 -2.862 1.00 0.00 H new ATOM 0 H3 ALA A 1 -15.281 14.786 -3.738 1.00 0.00 H new ATOM 0 HA ALA A 1 -15.579 11.933 -4.511 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -16.196 12.939 -6.692 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -17.263 13.524 -5.394 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -15.958 14.565 -6.009 1.00 0.00 H new ATOM 13 N ARG A 2 -13.188 14.092 -5.169 1.00 0.00 N ATOM 14 CA ARG A 2 -11.786 14.183 -5.675 1.00 0.00 C ATOM 15 C ARG A 2 -10.878 14.728 -4.565 1.00 0.00 C ATOM 16 O ARG A 2 -10.729 15.928 -4.431 1.00 0.00 O ATOM 17 CB ARG A 2 -11.737 15.124 -6.883 1.00 0.00 C ATOM 18 CG ARG A 2 -12.046 14.339 -8.169 1.00 0.00 C ATOM 19 CD ARG A 2 -10.928 14.552 -9.196 1.00 0.00 C ATOM 20 NE ARG A 2 -11.374 15.542 -10.217 1.00 0.00 N ATOM 21 CZ ARG A 2 -10.517 16.034 -11.068 1.00 0.00 C ATOM 22 NH1 ARG A 2 -9.928 15.250 -11.927 1.00 0.00 N ATOM 23 NH2 ARG A 2 -10.247 17.311 -11.060 1.00 0.00 N ATOM 0 H ARG A 2 -13.550 14.946 -4.745 1.00 0.00 H new ATOM 0 HA ARG A 2 -11.443 13.193 -5.974 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -12.459 15.931 -6.756 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -10.752 15.586 -6.956 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -12.145 13.278 -7.942 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -12.999 14.666 -8.584 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -10.026 14.908 -8.699 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -10.676 13.607 -9.676 1.00 0.00 H new ATOM 0 HE ARG A 2 -12.350 15.835 -10.250 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -10.137 14.252 -11.934 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -9.258 15.635 -12.593 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -10.706 17.925 -10.388 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -9.577 17.695 -11.726 1.00 0.00 H new ATOM 37 N PRO A 3 -10.296 13.825 -3.800 1.00 0.00 N ATOM 38 CA PRO A 3 -9.405 14.292 -2.711 1.00 0.00 C ATOM 39 C PRO A 3 -7.946 14.301 -3.176 1.00 0.00 C ATOM 40 O PRO A 3 -7.609 13.764 -4.218 1.00 0.00 O ATOM 41 CB PRO A 3 -9.598 13.275 -1.587 1.00 0.00 C ATOM 42 CG PRO A 3 -10.112 11.989 -2.254 1.00 0.00 C ATOM 43 CD PRO A 3 -10.690 12.401 -3.618 1.00 0.00 C ATOM 0 HA PRO A 3 -9.640 15.308 -2.395 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.660 13.093 -1.062 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.311 13.642 -0.849 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -9.304 11.267 -2.378 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.874 11.512 -1.639 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -10.291 11.778 -4.418 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.774 12.288 -3.636 1.00 0.00 H new ATOM 51 N ALA A 4 -7.083 14.909 -2.406 1.00 0.00 N ATOM 52 CA ALA A 4 -5.643 14.965 -2.781 1.00 0.00 C ATOM 53 C ALA A 4 -5.039 13.554 -2.788 1.00 0.00 C ATOM 54 O ALA A 4 -3.967 13.346 -3.321 1.00 0.00 O ATOM 55 CB ALA A 4 -4.890 15.834 -1.772 1.00 0.00 C ATOM 0 H ALA A 4 -7.317 15.372 -1.528 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.553 15.393 -3.779 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -3.835 15.877 -2.044 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -5.307 16.841 -1.777 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -4.990 15.404 -0.775 1.00 0.00 H new ATOM 61 N PHE A 5 -5.707 12.585 -2.197 1.00 0.00 N ATOM 62 CA PHE A 5 -5.150 11.198 -2.177 1.00 0.00 C ATOM 63 C PHE A 5 -5.310 10.549 -3.554 1.00 0.00 C ATOM 64 O PHE A 5 -4.373 9.995 -4.098 1.00 0.00 O ATOM 65 CB PHE A 5 -5.885 10.355 -1.133 1.00 0.00 C ATOM 66 CG PHE A 5 -5.174 9.032 -0.983 1.00 0.00 C ATOM 67 CD1 PHE A 5 -3.989 8.955 -0.242 1.00 0.00 C ATOM 68 CD2 PHE A 5 -5.689 7.885 -1.597 1.00 0.00 C ATOM 69 CE1 PHE A 5 -3.322 7.732 -0.114 1.00 0.00 C ATOM 70 CE2 PHE A 5 -5.021 6.661 -1.471 1.00 0.00 C ATOM 71 CZ PHE A 5 -3.837 6.585 -0.729 1.00 0.00 C ATOM 0 H PHE A 5 -6.608 12.698 -1.732 1.00 0.00 H new ATOM 0 HA PHE A 5 -4.092 11.250 -1.922 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -5.912 10.879 -0.177 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -6.919 10.195 -1.438 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.590 9.840 0.231 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.603 7.944 -2.169 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -2.409 7.673 0.460 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -5.419 5.776 -1.946 1.00 0.00 H new ATOM 0 HZ PHE A 5 -3.321 5.641 -0.631 1.00 0.00 H new ATOM 81 N VAL A 6 -6.487 10.603 -4.121 1.00 0.00 N ATOM 82 CA VAL A 6 -6.697 9.979 -5.463 1.00 0.00 C ATOM 83 C VAL A 6 -5.915 10.775 -6.508 1.00 0.00 C ATOM 84 O VAL A 6 -5.468 10.235 -7.504 1.00 0.00 O ATOM 85 CB VAL A 6 -8.187 9.974 -5.819 1.00 0.00 C ATOM 86 CG1 VAL A 6 -8.406 9.125 -7.073 1.00 0.00 C ATOM 87 CG2 VAL A 6 -8.993 9.375 -4.662 1.00 0.00 C ATOM 0 H VAL A 6 -7.309 11.050 -3.716 1.00 0.00 H new ATOM 0 HA VAL A 6 -6.343 8.948 -5.443 1.00 0.00 H new ATOM 0 HB VAL A 6 -8.516 10.997 -6.001 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -9.466 9.120 -7.328 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.835 9.545 -7.901 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -8.073 8.104 -6.884 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -10.052 9.373 -4.919 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.662 8.353 -4.479 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.839 9.972 -3.763 1.00 0.00 H new ATOM 97 N ASN A 7 -5.740 12.056 -6.286 1.00 0.00 N ATOM 98 CA ASN A 7 -4.978 12.889 -7.261 1.00 0.00 C ATOM 99 C ASN A 7 -3.507 12.460 -7.253 1.00 0.00 C ATOM 100 O ASN A 7 -2.894 12.315 -8.294 1.00 0.00 O ATOM 101 CB ASN A 7 -5.089 14.365 -6.871 1.00 0.00 C ATOM 102 CG ASN A 7 -6.474 14.890 -7.256 1.00 0.00 C ATOM 103 OD1 ASN A 7 -7.178 15.443 -6.435 1.00 0.00 O ATOM 104 ND2 ASN A 7 -6.900 14.736 -8.481 1.00 0.00 N ATOM 0 H ASN A 7 -6.093 12.558 -5.471 1.00 0.00 H new ATOM 0 HA ASN A 7 -5.390 12.751 -8.261 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.929 14.482 -5.799 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -4.315 14.945 -7.375 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -7.823 15.080 -8.747 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -6.310 14.272 -9.172 1.00 0.00 H new ATOM 111 N LYS A 8 -2.940 12.249 -6.090 1.00 0.00 N ATOM 112 CA LYS A 8 -1.509 11.821 -6.016 1.00 0.00 C ATOM 113 C LYS A 8 -1.368 10.389 -6.547 1.00 0.00 C ATOM 114 O LYS A 8 -0.304 9.983 -6.965 1.00 0.00 O ATOM 115 CB LYS A 8 -1.014 11.885 -4.563 1.00 0.00 C ATOM 116 CG LYS A 8 -1.864 10.971 -3.674 1.00 0.00 C ATOM 117 CD LYS A 8 -1.042 10.510 -2.468 1.00 0.00 C ATOM 118 CE LYS A 8 -0.088 9.386 -2.889 1.00 0.00 C ATOM 119 NZ LYS A 8 1.315 9.797 -2.605 1.00 0.00 N ATOM 0 H LYS A 8 -3.407 12.355 -5.189 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.906 12.493 -6.627 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.032 11.582 -4.514 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.066 12.911 -4.198 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.754 11.502 -3.337 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.205 10.107 -4.245 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.475 11.347 -2.061 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.705 10.160 -1.677 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.327 8.470 -2.349 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.208 9.171 -3.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.922 8.954 -2.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.652 10.428 -3.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.353 10.297 -1.694 1.00 0.00 H new ATOM 133 N LEU A 9 -2.431 9.620 -6.517 1.00 0.00 N ATOM 134 CA LEU A 9 -2.360 8.210 -7.006 1.00 0.00 C ATOM 135 C LEU A 9 -2.152 8.188 -8.524 1.00 0.00 C ATOM 136 O LEU A 9 -1.462 7.333 -9.048 1.00 0.00 O ATOM 137 CB LEU A 9 -3.668 7.495 -6.663 1.00 0.00 C ATOM 138 CG LEU A 9 -3.467 5.983 -6.762 1.00 0.00 C ATOM 139 CD1 LEU A 9 -2.779 5.475 -5.493 1.00 0.00 C ATOM 140 CD2 LEU A 9 -4.828 5.300 -6.915 1.00 0.00 C ATOM 0 H LEU A 9 -3.346 9.911 -6.174 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.522 7.705 -6.526 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.988 7.764 -5.657 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.457 7.813 -7.344 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.845 5.753 -7.627 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.636 4.397 -5.564 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.811 5.963 -5.384 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.400 5.703 -4.627 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.688 4.221 -6.986 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.449 5.529 -6.049 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.317 5.662 -7.819 1.00 0.00 H new ATOM 152 N TRP A 10 -2.747 9.115 -9.235 1.00 0.00 N ATOM 153 CA TRP A 10 -2.589 9.139 -10.722 1.00 0.00 C ATOM 154 C TRP A 10 -1.237 9.754 -11.119 1.00 0.00 C ATOM 155 O TRP A 10 -0.928 9.860 -12.291 1.00 0.00 O ATOM 156 CB TRP A 10 -3.724 9.960 -11.345 1.00 0.00 C ATOM 157 CG TRP A 10 -5.051 9.446 -10.872 1.00 0.00 C ATOM 158 CD1 TRP A 10 -6.069 10.226 -10.442 1.00 0.00 C ATOM 159 CD2 TRP A 10 -5.526 8.065 -10.777 1.00 0.00 C ATOM 160 NE1 TRP A 10 -7.134 9.419 -10.086 1.00 0.00 N ATOM 161 CE2 TRP A 10 -6.850 8.082 -10.273 1.00 0.00 C ATOM 162 CE3 TRP A 10 -4.949 6.814 -11.071 1.00 0.00 C ATOM 163 CZ2 TRP A 10 -7.572 6.904 -10.070 1.00 0.00 C ATOM 164 CZ3 TRP A 10 -5.674 5.629 -10.867 1.00 0.00 C ATOM 165 CH2 TRP A 10 -6.982 5.674 -10.367 1.00 0.00 C ATOM 0 H TRP A 10 -3.334 9.855 -8.850 1.00 0.00 H new ATOM 0 HA TRP A 10 -2.626 8.114 -11.090 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -3.615 11.010 -11.074 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -3.670 9.904 -12.432 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -6.053 11.304 -10.386 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -8.022 9.770 -9.728 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -3.941 6.766 -11.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -8.580 6.944 -9.686 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -5.220 4.676 -11.097 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -7.533 4.758 -10.212 1.00 0.00 H new ATOM 176 N SER A 11 -0.426 10.157 -10.164 1.00 0.00 N ATOM 177 CA SER A 11 0.897 10.756 -10.509 1.00 0.00 C ATOM 178 C SER A 11 2.023 9.822 -10.051 1.00 0.00 C ATOM 179 O SER A 11 3.097 9.805 -10.623 1.00 0.00 O ATOM 180 CB SER A 11 1.041 12.104 -9.803 1.00 0.00 C ATOM 181 OG SER A 11 0.441 13.118 -10.598 1.00 0.00 O ATOM 0 H SER A 11 -0.627 10.095 -9.166 1.00 0.00 H new ATOM 0 HA SER A 11 0.960 10.896 -11.588 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.566 12.066 -8.822 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.094 12.331 -9.639 1.00 0.00 H new ATOM 0 HG SER A 11 0.530 13.983 -10.147 1.00 0.00 H new ATOM 187 N MET A 12 1.788 9.055 -9.017 1.00 0.00 N ATOM 188 CA MET A 12 2.840 8.128 -8.503 1.00 0.00 C ATOM 189 C MET A 12 2.732 6.761 -9.190 1.00 0.00 C ATOM 190 O MET A 12 3.713 6.057 -9.336 1.00 0.00 O ATOM 191 CB MET A 12 2.673 7.958 -6.987 1.00 0.00 C ATOM 192 CG MET A 12 1.275 7.396 -6.668 1.00 0.00 C ATOM 193 SD MET A 12 1.405 5.666 -6.142 1.00 0.00 S ATOM 194 CE MET A 12 2.289 5.961 -4.594 1.00 0.00 C ATOM 0 H MET A 12 0.907 9.031 -8.504 1.00 0.00 H new ATOM 0 HA MET A 12 3.821 8.551 -8.720 1.00 0.00 H new ATOM 0 HB2 MET A 12 3.440 7.286 -6.602 1.00 0.00 H new ATOM 0 HB3 MET A 12 2.810 8.918 -6.488 1.00 0.00 H new ATOM 0 HG2 MET A 12 0.807 7.989 -5.882 1.00 0.00 H new ATOM 0 HG3 MET A 12 0.635 7.470 -7.547 1.00 0.00 H new ATOM 0 HE1 MET A 12 2.000 5.208 -3.861 1.00 0.00 H new ATOM 0 HE2 MET A 12 3.363 5.902 -4.771 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.038 6.952 -4.215 1.00 0.00 H new ATOM 204 N VAL A 13 1.548 6.379 -9.601 1.00 0.00 N ATOM 205 CA VAL A 13 1.380 5.051 -10.267 1.00 0.00 C ATOM 206 C VAL A 13 1.659 5.169 -11.773 1.00 0.00 C ATOM 207 O VAL A 13 1.810 4.172 -12.454 1.00 0.00 O ATOM 208 CB VAL A 13 -0.046 4.530 -10.057 1.00 0.00 C ATOM 209 CG1 VAL A 13 -0.102 3.056 -10.462 1.00 0.00 C ATOM 210 CG2 VAL A 13 -0.440 4.665 -8.583 1.00 0.00 C ATOM 0 H VAL A 13 0.693 6.927 -9.504 1.00 0.00 H new ATOM 0 HA VAL A 13 2.090 4.353 -9.823 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.738 5.112 -10.666 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.113 2.677 -10.316 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.175 2.956 -11.512 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.593 2.483 -9.848 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.455 4.293 -8.442 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.248 4.085 -7.968 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.394 5.714 -8.289 1.00 0.00 H new ATOM 220 N ASN A 14 1.735 6.372 -12.303 1.00 0.00 N ATOM 221 CA ASN A 14 2.009 6.544 -13.766 1.00 0.00 C ATOM 222 C ASN A 14 3.302 5.814 -14.157 1.00 0.00 C ATOM 223 O ASN A 14 3.508 5.483 -15.310 1.00 0.00 O ATOM 224 CB ASN A 14 2.154 8.034 -14.083 1.00 0.00 C ATOM 225 CG ASN A 14 2.064 8.247 -15.595 1.00 0.00 C ATOM 226 OD1 ASN A 14 2.850 7.704 -16.346 1.00 0.00 O ATOM 227 ND2 ASN A 14 1.129 9.021 -16.077 1.00 0.00 N ATOM 0 H ASN A 14 1.619 7.241 -11.782 1.00 0.00 H new ATOM 0 HA ASN A 14 1.179 6.122 -14.333 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.372 8.601 -13.578 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.109 8.405 -13.709 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.059 9.170 -17.084 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.469 9.477 -15.447 1.00 0.00 H new ATOM 234 N ASP A 15 4.172 5.561 -13.208 1.00 0.00 N ATOM 235 CA ASP A 15 5.454 4.849 -13.510 1.00 0.00 C ATOM 236 C ASP A 15 6.333 5.706 -14.429 1.00 0.00 C ATOM 237 O ASP A 15 7.224 5.196 -15.084 1.00 0.00 O ATOM 238 CB ASP A 15 5.167 3.505 -14.197 1.00 0.00 C ATOM 239 CG ASP A 15 4.096 2.734 -13.417 1.00 0.00 C ATOM 240 OD1 ASP A 15 4.111 2.806 -12.200 1.00 0.00 O ATOM 241 OD2 ASP A 15 3.282 2.085 -14.053 1.00 0.00 O ATOM 0 H ASP A 15 4.047 5.820 -12.229 1.00 0.00 H new ATOM 0 HA ASP A 15 5.977 4.671 -12.570 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.832 3.675 -15.220 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.081 2.915 -14.255 1.00 0.00 H new ATOM 246 N LYS A 16 6.102 6.996 -14.480 1.00 0.00 N ATOM 247 CA LYS A 16 6.940 7.870 -15.358 1.00 0.00 C ATOM 248 C LYS A 16 8.151 8.372 -14.563 1.00 0.00 C ATOM 249 O LYS A 16 9.228 8.548 -15.100 1.00 0.00 O ATOM 250 CB LYS A 16 6.106 9.059 -15.859 1.00 0.00 C ATOM 251 CG LYS A 16 5.611 9.900 -14.675 1.00 0.00 C ATOM 252 CD LYS A 16 4.911 11.156 -15.198 1.00 0.00 C ATOM 253 CE LYS A 16 5.953 12.223 -15.543 1.00 0.00 C ATOM 254 NZ LYS A 16 5.405 13.571 -15.216 1.00 0.00 N ATOM 0 H LYS A 16 5.373 7.479 -13.954 1.00 0.00 H new ATOM 0 HA LYS A 16 7.286 7.299 -16.219 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.706 9.677 -16.527 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.256 8.697 -16.437 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.924 9.316 -14.063 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.450 10.177 -14.037 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.319 10.913 -16.081 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.220 11.538 -14.447 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.871 12.045 -14.983 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.209 12.169 -16.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.111 14.299 -15.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.540 13.738 -15.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.182 13.618 -14.201 1.00 0.00 H new ATOM 268 N SER A 17 7.976 8.591 -13.285 1.00 0.00 N ATOM 269 CA SER A 17 9.106 9.069 -12.437 1.00 0.00 C ATOM 270 C SER A 17 9.626 7.897 -11.604 1.00 0.00 C ATOM 271 O SER A 17 10.812 7.768 -11.367 1.00 0.00 O ATOM 272 CB SER A 17 8.611 10.178 -11.509 1.00 0.00 C ATOM 273 OG SER A 17 7.416 9.752 -10.868 1.00 0.00 O ATOM 0 H SER A 17 7.094 8.458 -12.791 1.00 0.00 H new ATOM 0 HA SER A 17 9.906 9.459 -13.066 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.373 10.414 -10.766 1.00 0.00 H new ATOM 0 HB3 SER A 17 8.428 11.090 -12.078 1.00 0.00 H new ATOM 0 HG SER A 17 7.095 10.459 -10.270 1.00 0.00 H new ATOM 279 N ASN A 18 8.739 7.035 -11.175 1.00 0.00 N ATOM 280 CA ASN A 18 9.159 5.845 -10.369 1.00 0.00 C ATOM 281 C ASN A 18 9.009 4.596 -11.239 1.00 0.00 C ATOM 282 O ASN A 18 8.506 3.574 -10.809 1.00 0.00 O ATOM 283 CB ASN A 18 8.303 5.695 -9.091 1.00 0.00 C ATOM 284 CG ASN A 18 6.878 6.222 -9.305 1.00 0.00 C ATOM 285 OD1 ASN A 18 6.183 5.783 -10.200 1.00 0.00 O ATOM 286 ND2 ASN A 18 6.415 7.149 -8.511 1.00 0.00 N ATOM 0 H ASN A 18 7.736 7.104 -11.349 1.00 0.00 H new ATOM 0 HA ASN A 18 10.195 5.977 -10.058 1.00 0.00 H new ATOM 0 HB2 ASN A 18 8.264 4.646 -8.799 1.00 0.00 H new ATOM 0 HB3 ASN A 18 8.773 6.237 -8.271 1.00 0.00 H new ATOM 0 HD21 ASN A 18 5.468 7.506 -8.641 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.000 7.516 -7.760 1.00 0.00 H new ATOM 293 N GLU A 19 9.447 4.682 -12.469 1.00 0.00 N ATOM 294 CA GLU A 19 9.348 3.525 -13.406 1.00 0.00 C ATOM 295 C GLU A 19 10.063 2.297 -12.819 1.00 0.00 C ATOM 296 O GLU A 19 9.800 1.175 -13.211 1.00 0.00 O ATOM 297 CB GLU A 19 9.999 3.916 -14.740 1.00 0.00 C ATOM 298 CG GLU A 19 11.461 4.334 -14.503 1.00 0.00 C ATOM 299 CD GLU A 19 11.702 5.738 -15.064 1.00 0.00 C ATOM 300 OE1 GLU A 19 10.986 6.644 -14.667 1.00 0.00 O ATOM 301 OE2 GLU A 19 12.600 5.885 -15.876 1.00 0.00 O ATOM 0 H GLU A 19 9.875 5.517 -12.868 1.00 0.00 H new ATOM 0 HA GLU A 19 8.299 3.271 -13.560 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.959 3.077 -15.435 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.446 4.736 -15.199 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.684 4.316 -13.436 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.134 3.622 -14.981 1.00 0.00 H new ATOM 308 N LYS A 20 10.967 2.500 -11.891 1.00 0.00 N ATOM 309 CA LYS A 20 11.702 1.349 -11.284 1.00 0.00 C ATOM 310 C LYS A 20 11.137 1.048 -9.889 1.00 0.00 C ATOM 311 O LYS A 20 11.875 0.734 -8.972 1.00 0.00 O ATOM 312 CB LYS A 20 13.190 1.705 -11.169 1.00 0.00 C ATOM 313 CG LYS A 20 13.960 1.108 -12.350 1.00 0.00 C ATOM 314 CD LYS A 20 15.349 1.750 -12.434 1.00 0.00 C ATOM 315 CE LYS A 20 15.329 2.891 -13.454 1.00 0.00 C ATOM 316 NZ LYS A 20 15.858 2.397 -14.758 1.00 0.00 N ATOM 0 H LYS A 20 11.227 3.417 -11.528 1.00 0.00 H new ATOM 0 HA LYS A 20 11.582 0.468 -11.915 1.00 0.00 H new ATOM 0 HB2 LYS A 20 13.314 2.788 -11.153 1.00 0.00 H new ATOM 0 HB3 LYS A 20 13.593 1.324 -10.231 1.00 0.00 H new ATOM 0 HG2 LYS A 20 14.054 0.029 -12.228 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.413 1.278 -13.277 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.645 2.129 -11.456 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.088 1.003 -12.724 1.00 0.00 H new ATOM 0 HE2 LYS A 20 14.313 3.264 -13.579 1.00 0.00 H new ATOM 0 HE3 LYS A 20 15.933 3.725 -13.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 15.846 3.170 -15.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 16.834 2.061 -14.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 15.264 1.615 -15.100 1.00 0.00 H new ATOM 330 N PHE A 21 9.840 1.139 -9.716 1.00 0.00 N ATOM 331 CA PHE A 21 9.251 0.856 -8.372 1.00 0.00 C ATOM 332 C PHE A 21 7.827 0.298 -8.513 1.00 0.00 C ATOM 333 O PHE A 21 7.609 -0.890 -8.363 1.00 0.00 O ATOM 334 CB PHE A 21 9.228 2.143 -7.547 1.00 0.00 C ATOM 335 CG PHE A 21 10.643 2.625 -7.332 1.00 0.00 C ATOM 336 CD1 PHE A 21 11.508 1.901 -6.504 1.00 0.00 C ATOM 337 CD2 PHE A 21 11.089 3.794 -7.962 1.00 0.00 C ATOM 338 CE1 PHE A 21 12.820 2.346 -6.302 1.00 0.00 C ATOM 339 CE2 PHE A 21 12.401 4.239 -7.761 1.00 0.00 C ATOM 340 CZ PHE A 21 13.267 3.516 -6.931 1.00 0.00 C ATOM 0 H PHE A 21 9.170 1.395 -10.441 1.00 0.00 H new ATOM 0 HA PHE A 21 9.864 0.109 -7.867 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.646 2.908 -8.061 1.00 0.00 H new ATOM 0 HB3 PHE A 21 8.743 1.965 -6.587 1.00 0.00 H new ATOM 0 HD1 PHE A 21 11.163 0.999 -6.021 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.421 4.351 -8.602 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.487 1.788 -5.662 1.00 0.00 H new ATOM 0 HE2 PHE A 21 12.746 5.140 -8.246 1.00 0.00 H new ATOM 0 HZ PHE A 21 14.279 3.860 -6.776 1.00 0.00 H new ATOM 350 N ILE A 22 6.858 1.140 -8.784 1.00 0.00 N ATOM 351 CA ILE A 22 5.449 0.649 -8.917 1.00 0.00 C ATOM 352 C ILE A 22 5.096 0.464 -10.399 1.00 0.00 C ATOM 353 O ILE A 22 5.744 1.007 -11.275 1.00 0.00 O ATOM 354 CB ILE A 22 4.495 1.663 -8.263 1.00 0.00 C ATOM 355 CG1 ILE A 22 3.048 1.163 -8.377 1.00 0.00 C ATOM 356 CG2 ILE A 22 4.620 3.023 -8.954 1.00 0.00 C ATOM 357 CD1 ILE A 22 2.145 1.953 -7.424 1.00 0.00 C ATOM 0 H ILE A 22 6.981 2.144 -8.919 1.00 0.00 H new ATOM 0 HA ILE A 22 5.349 -0.313 -8.415 1.00 0.00 H new ATOM 0 HB ILE A 22 4.761 1.770 -7.211 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.695 1.275 -9.402 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.002 0.100 -8.138 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.941 3.734 -8.484 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.644 3.385 -8.863 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.364 2.920 -10.009 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.120 1.592 -7.511 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.491 1.818 -6.399 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.180 3.011 -7.683 1.00 0.00 H new ATOM 369 N HIS A 23 4.069 -0.301 -10.678 1.00 0.00 N ATOM 370 CA HIS A 23 3.655 -0.533 -12.094 1.00 0.00 C ATOM 371 C HIS A 23 2.172 -0.910 -12.140 1.00 0.00 C ATOM 372 O HIS A 23 1.596 -1.316 -11.148 1.00 0.00 O ATOM 373 CB HIS A 23 4.483 -1.677 -12.687 1.00 0.00 C ATOM 374 CG HIS A 23 5.694 -1.121 -13.384 1.00 0.00 C ATOM 375 ND1 HIS A 23 6.984 -1.421 -12.976 1.00 0.00 N ATOM 376 CD2 HIS A 23 5.828 -0.291 -14.470 1.00 0.00 C ATOM 377 CE1 HIS A 23 7.830 -0.783 -13.804 1.00 0.00 C ATOM 378 NE2 HIS A 23 7.178 -0.079 -14.734 1.00 0.00 N ATOM 0 H HIS A 23 3.497 -0.777 -9.980 1.00 0.00 H new ATOM 0 HA HIS A 23 3.819 0.377 -12.671 1.00 0.00 H new ATOM 0 HB2 HIS A 23 4.789 -2.363 -11.898 1.00 0.00 H new ATOM 0 HB3 HIS A 23 3.878 -2.249 -13.390 1.00 0.00 H new ATOM 0 HD2 HIS A 23 5.010 0.133 -15.034 1.00 0.00 H new ATOM 0 HE1 HIS A 23 8.906 -0.833 -13.727 1.00 0.00 H new ATOM 0 HE2 HIS A 23 7.582 0.491 -15.477 1.00 0.00 H new ATOM 386 N TRP A 24 1.554 -0.780 -13.286 1.00 0.00 N ATOM 387 CA TRP A 24 0.108 -1.130 -13.409 1.00 0.00 C ATOM 388 C TRP A 24 -0.046 -2.653 -13.488 1.00 0.00 C ATOM 389 O TRP A 24 0.928 -3.379 -13.566 1.00 0.00 O ATOM 390 CB TRP A 24 -0.465 -0.495 -14.679 1.00 0.00 C ATOM 391 CG TRP A 24 -0.781 0.946 -14.425 1.00 0.00 C ATOM 392 CD1 TRP A 24 0.046 1.834 -13.826 1.00 0.00 C ATOM 393 CD2 TRP A 24 -1.996 1.676 -14.754 1.00 0.00 C ATOM 394 NE1 TRP A 24 -0.586 3.063 -13.765 1.00 0.00 N ATOM 395 CE2 TRP A 24 -1.848 3.016 -14.326 1.00 0.00 C ATOM 396 CE3 TRP A 24 -3.202 1.310 -15.377 1.00 0.00 C ATOM 397 CZ2 TRP A 24 -2.861 3.960 -14.508 1.00 0.00 C ATOM 398 CZ3 TRP A 24 -4.223 2.256 -15.563 1.00 0.00 C ATOM 399 CH2 TRP A 24 -4.052 3.578 -15.130 1.00 0.00 C ATOM 0 H TRP A 24 1.991 -0.445 -14.145 1.00 0.00 H new ATOM 0 HA TRP A 24 -0.430 -0.755 -12.539 1.00 0.00 H new ATOM 0 HB2 TRP A 24 0.252 -0.581 -15.496 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -1.366 -1.026 -14.988 1.00 0.00 H new ATOM 0 HD1 TRP A 24 1.037 1.618 -13.456 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -0.172 3.901 -13.356 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -3.344 0.294 -15.715 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -2.725 4.977 -14.171 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -5.145 1.963 -16.042 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -4.841 4.301 -15.277 1.00 0.00 H new ATOM 410 N SER A 25 -1.262 -3.137 -13.464 1.00 0.00 N ATOM 411 CA SER A 25 -1.491 -4.611 -13.535 1.00 0.00 C ATOM 412 C SER A 25 -1.323 -5.091 -14.979 1.00 0.00 C ATOM 413 O SER A 25 -0.816 -4.379 -15.824 1.00 0.00 O ATOM 414 CB SER A 25 -2.908 -4.927 -13.049 1.00 0.00 C ATOM 415 OG SER A 25 -3.845 -4.594 -14.067 1.00 0.00 O ATOM 0 H SER A 25 -2.109 -2.572 -13.398 1.00 0.00 H new ATOM 0 HA SER A 25 -0.766 -5.122 -12.902 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.990 -5.984 -12.797 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.126 -4.365 -12.141 1.00 0.00 H new ATOM 0 HG SER A 25 -4.685 -5.073 -13.908 1.00 0.00 H new ATOM 421 N THR A 26 -1.752 -6.296 -15.263 1.00 0.00 N ATOM 422 CA THR A 26 -1.629 -6.836 -16.649 1.00 0.00 C ATOM 423 C THR A 26 -2.771 -6.292 -17.508 1.00 0.00 C ATOM 424 O THR A 26 -2.572 -5.900 -18.642 1.00 0.00 O ATOM 425 CB THR A 26 -1.703 -8.365 -16.612 1.00 0.00 C ATOM 426 OG1 THR A 26 -0.783 -8.860 -15.650 1.00 0.00 O ATOM 427 CG2 THR A 26 -1.355 -8.926 -17.992 1.00 0.00 C ATOM 0 H THR A 26 -2.184 -6.930 -14.591 1.00 0.00 H new ATOM 0 HA THR A 26 -0.673 -6.530 -17.075 1.00 0.00 H new ATOM 0 HB THR A 26 -2.712 -8.674 -16.340 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.831 -9.838 -15.625 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.408 -10.014 -17.966 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.063 -8.546 -18.728 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.346 -8.618 -18.266 1.00 0.00 H new ATOM 435 N SER A 27 -3.965 -6.264 -16.973 1.00 0.00 N ATOM 436 CA SER A 27 -5.127 -5.744 -17.750 1.00 0.00 C ATOM 437 C SER A 27 -5.164 -4.206 -17.697 1.00 0.00 C ATOM 438 O SER A 27 -5.996 -3.586 -18.332 1.00 0.00 O ATOM 439 CB SER A 27 -6.421 -6.314 -17.161 1.00 0.00 C ATOM 440 OG SER A 27 -6.951 -7.287 -18.051 1.00 0.00 O ATOM 0 H SER A 27 -4.184 -6.580 -16.028 1.00 0.00 H new ATOM 0 HA SER A 27 -5.028 -6.052 -18.791 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.225 -6.763 -16.187 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.146 -5.515 -17.003 1.00 0.00 H new ATOM 0 HG SER A 27 -7.778 -7.656 -17.677 1.00 0.00 H new ATOM 446 N GLY A 28 -4.277 -3.585 -16.949 1.00 0.00 N ATOM 447 CA GLY A 28 -4.278 -2.094 -16.867 1.00 0.00 C ATOM 448 C GLY A 28 -5.419 -1.633 -15.961 1.00 0.00 C ATOM 449 O GLY A 28 -6.370 -1.021 -16.412 1.00 0.00 O ATOM 0 H GLY A 28 -3.557 -4.049 -16.395 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.324 -1.740 -16.476 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.394 -1.665 -17.862 1.00 0.00 H new ATOM 453 N GLU A 29 -5.331 -1.924 -14.687 1.00 0.00 N ATOM 454 CA GLU A 29 -6.411 -1.506 -13.744 1.00 0.00 C ATOM 455 C GLU A 29 -5.931 -1.679 -12.299 1.00 0.00 C ATOM 456 O GLU A 29 -6.067 -0.788 -11.481 1.00 0.00 O ATOM 457 CB GLU A 29 -7.650 -2.374 -13.974 1.00 0.00 C ATOM 458 CG GLU A 29 -8.911 -1.538 -13.749 1.00 0.00 C ATOM 459 CD GLU A 29 -10.143 -2.367 -14.114 1.00 0.00 C ATOM 460 OE1 GLU A 29 -10.206 -3.512 -13.699 1.00 0.00 O ATOM 461 OE2 GLU A 29 -11.003 -1.842 -14.802 1.00 0.00 O ATOM 0 H GLU A 29 -4.557 -2.433 -14.260 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.658 -0.459 -13.920 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.643 -2.774 -14.988 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.641 -3.226 -13.295 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.969 -1.220 -12.708 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.874 -0.634 -14.357 1.00 0.00 H new ATOM 468 N SER A 30 -5.378 -2.823 -11.978 1.00 0.00 N ATOM 469 CA SER A 30 -4.892 -3.062 -10.585 1.00 0.00 C ATOM 470 C SER A 30 -3.449 -2.568 -10.449 1.00 0.00 C ATOM 471 O SER A 30 -2.920 -1.921 -11.334 1.00 0.00 O ATOM 472 CB SER A 30 -4.961 -4.558 -10.272 1.00 0.00 C ATOM 473 OG SER A 30 -6.019 -5.147 -11.017 1.00 0.00 O ATOM 0 H SER A 30 -5.242 -3.602 -12.622 1.00 0.00 H new ATOM 0 HA SER A 30 -5.522 -2.517 -9.882 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.014 -5.037 -10.522 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.124 -4.711 -9.205 1.00 0.00 H new ATOM 0 HG SER A 30 -6.064 -6.106 -10.819 1.00 0.00 H new ATOM 479 N ILE A 31 -2.810 -2.863 -9.341 1.00 0.00 N ATOM 480 CA ILE A 31 -1.403 -2.404 -9.135 1.00 0.00 C ATOM 481 C ILE A 31 -0.513 -3.595 -8.761 1.00 0.00 C ATOM 482 O ILE A 31 -0.984 -4.614 -8.294 1.00 0.00 O ATOM 483 CB ILE A 31 -1.373 -1.370 -8.007 1.00 0.00 C ATOM 484 CG1 ILE A 31 -2.347 -0.233 -8.337 1.00 0.00 C ATOM 485 CG2 ILE A 31 0.042 -0.803 -7.862 1.00 0.00 C ATOM 486 CD1 ILE A 31 -2.599 0.612 -7.086 1.00 0.00 C ATOM 0 H ILE A 31 -3.205 -3.403 -8.571 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.030 -1.958 -10.057 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.667 -1.846 -7.071 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.937 0.390 -9.132 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.287 -0.643 -8.706 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.059 -0.067 -7.058 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.736 -1.611 -7.629 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.341 -0.327 -8.796 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.292 1.419 -7.325 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.028 -0.015 -6.304 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.657 1.034 -6.736 1.00 0.00 H new ATOM 498 N VAL A 32 0.774 -3.462 -8.960 1.00 0.00 N ATOM 499 CA VAL A 32 1.717 -4.568 -8.619 1.00 0.00 C ATOM 500 C VAL A 32 2.992 -3.969 -8.013 1.00 0.00 C ATOM 501 O VAL A 32 3.581 -3.062 -8.571 1.00 0.00 O ATOM 502 CB VAL A 32 2.067 -5.344 -9.891 1.00 0.00 C ATOM 503 CG1 VAL A 32 2.934 -6.554 -9.534 1.00 0.00 C ATOM 504 CG2 VAL A 32 0.778 -5.824 -10.561 1.00 0.00 C ATOM 0 H VAL A 32 1.214 -2.627 -9.347 1.00 0.00 H new ATOM 0 HA VAL A 32 1.253 -5.244 -7.900 1.00 0.00 H new ATOM 0 HB VAL A 32 2.616 -4.694 -10.572 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.182 -7.105 -10.442 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.852 -6.215 -9.053 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.387 -7.205 -8.852 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.023 -6.377 -11.468 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.232 -6.473 -9.876 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.159 -4.964 -10.817 1.00 0.00 H new ATOM 514 N VAL A 33 3.413 -4.461 -6.874 1.00 0.00 N ATOM 515 CA VAL A 33 4.645 -3.914 -6.228 1.00 0.00 C ATOM 516 C VAL A 33 5.739 -4.990 -6.180 1.00 0.00 C ATOM 517 O VAL A 33 5.832 -5.725 -5.215 1.00 0.00 O ATOM 518 CB VAL A 33 4.317 -3.462 -4.800 1.00 0.00 C ATOM 519 CG1 VAL A 33 5.550 -2.806 -4.166 1.00 0.00 C ATOM 520 CG2 VAL A 33 3.167 -2.452 -4.837 1.00 0.00 C ATOM 0 H VAL A 33 2.957 -5.217 -6.364 1.00 0.00 H new ATOM 0 HA VAL A 33 5.003 -3.065 -6.811 1.00 0.00 H new ATOM 0 HB VAL A 33 4.025 -4.329 -4.207 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.311 -2.487 -3.152 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.370 -3.524 -4.137 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.847 -1.940 -4.758 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.933 -2.130 -3.822 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.461 -1.588 -5.433 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.288 -2.918 -5.282 1.00 0.00 H new ATOM 530 N PRO A 34 6.546 -5.036 -7.218 1.00 0.00 N ATOM 531 CA PRO A 34 7.635 -6.039 -7.218 1.00 0.00 C ATOM 532 C PRO A 34 8.739 -5.582 -6.263 1.00 0.00 C ATOM 533 O PRO A 34 9.373 -6.379 -5.597 1.00 0.00 O ATOM 534 CB PRO A 34 8.139 -6.070 -8.661 1.00 0.00 C ATOM 535 CG PRO A 34 7.741 -4.719 -9.285 1.00 0.00 C ATOM 536 CD PRO A 34 6.610 -4.151 -8.412 1.00 0.00 C ATOM 0 HA PRO A 34 7.309 -7.025 -6.888 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.219 -6.210 -8.693 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.694 -6.899 -9.211 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.591 -4.038 -9.310 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.408 -4.850 -10.314 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.816 -3.120 -8.125 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.662 -4.149 -8.950 1.00 0.00 H new ATOM 544 N ASN A 35 8.959 -4.294 -6.188 1.00 0.00 N ATOM 545 CA ASN A 35 10.004 -3.753 -5.274 1.00 0.00 C ATOM 546 C ASN A 35 9.323 -2.903 -4.198 1.00 0.00 C ATOM 547 O ASN A 35 9.326 -1.688 -4.257 1.00 0.00 O ATOM 548 CB ASN A 35 10.987 -2.890 -6.080 1.00 0.00 C ATOM 549 CG ASN A 35 12.333 -3.610 -6.208 1.00 0.00 C ATOM 550 OD1 ASN A 35 12.670 -4.446 -5.394 1.00 0.00 O ATOM 551 ND2 ASN A 35 13.122 -3.315 -7.205 1.00 0.00 N ATOM 0 H ASN A 35 8.454 -3.590 -6.726 1.00 0.00 H new ATOM 0 HA ASN A 35 10.552 -4.569 -4.803 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.578 -2.687 -7.070 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.126 -1.927 -5.589 1.00 0.00 H new ATOM 0 HD21 ASN A 35 14.021 -3.787 -7.300 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.839 -2.613 -7.889 1.00 0.00 H new ATOM 558 N ARG A 36 8.732 -3.540 -3.219 1.00 0.00 N ATOM 559 CA ARG A 36 8.036 -2.786 -2.135 1.00 0.00 C ATOM 560 C ARG A 36 9.049 -2.321 -1.082 1.00 0.00 C ATOM 561 O ARG A 36 8.824 -1.353 -0.384 1.00 0.00 O ATOM 562 CB ARG A 36 7.001 -3.696 -1.467 1.00 0.00 C ATOM 563 CG ARG A 36 6.039 -2.851 -0.622 1.00 0.00 C ATOM 564 CD ARG A 36 5.808 -3.527 0.732 1.00 0.00 C ATOM 565 NE ARG A 36 6.675 -2.884 1.758 1.00 0.00 N ATOM 566 CZ ARG A 36 7.246 -3.610 2.679 1.00 0.00 C ATOM 567 NH1 ARG A 36 8.388 -4.191 2.436 1.00 0.00 N ATOM 568 NH2 ARG A 36 6.675 -3.755 3.843 1.00 0.00 N ATOM 0 H ARG A 36 8.702 -4.555 -3.124 1.00 0.00 H new ATOM 0 HA ARG A 36 7.543 -1.916 -2.569 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.445 -4.249 -2.225 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.502 -4.432 -0.838 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.451 -1.853 -0.475 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.090 -2.731 -1.145 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.760 -3.442 1.020 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.034 -4.591 0.663 1.00 0.00 H new ATOM 0 HE ARG A 36 6.822 -1.875 1.740 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.834 -4.078 1.526 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.835 -4.759 3.156 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.782 -3.301 4.033 1.00 0.00 H new ATOM 0 HH22 ARG A 36 7.122 -4.323 4.563 1.00 0.00 H new ATOM 582 N GLU A 37 10.150 -3.014 -0.956 1.00 0.00 N ATOM 583 CA GLU A 37 11.172 -2.629 0.064 1.00 0.00 C ATOM 584 C GLU A 37 11.793 -1.268 -0.277 1.00 0.00 C ATOM 585 O GLU A 37 12.120 -0.492 0.601 1.00 0.00 O ATOM 586 CB GLU A 37 12.274 -3.698 0.109 1.00 0.00 C ATOM 587 CG GLU A 37 12.950 -3.813 -1.264 1.00 0.00 C ATOM 588 CD GLU A 37 13.950 -4.970 -1.250 1.00 0.00 C ATOM 589 OE1 GLU A 37 13.600 -6.026 -0.746 1.00 0.00 O ATOM 590 OE2 GLU A 37 15.050 -4.781 -1.743 1.00 0.00 O ATOM 0 H GLU A 37 10.387 -3.832 -1.517 1.00 0.00 H new ATOM 0 HA GLU A 37 10.685 -2.555 1.036 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.013 -3.438 0.867 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.848 -4.660 0.395 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.199 -3.977 -2.037 1.00 0.00 H new ATOM 0 HG3 GLU A 37 13.460 -2.881 -1.508 1.00 0.00 H new ATOM 597 N ARG A 38 11.974 -0.982 -1.542 1.00 0.00 N ATOM 598 CA ARG A 38 12.594 0.319 -1.940 1.00 0.00 C ATOM 599 C ARG A 38 11.503 1.337 -2.299 1.00 0.00 C ATOM 600 O ARG A 38 11.699 2.531 -2.176 1.00 0.00 O ATOM 601 CB ARG A 38 13.512 0.088 -3.153 1.00 0.00 C ATOM 602 CG ARG A 38 14.936 0.569 -2.835 1.00 0.00 C ATOM 603 CD ARG A 38 15.961 -0.437 -3.369 1.00 0.00 C ATOM 604 NE ARG A 38 16.639 0.137 -4.565 1.00 0.00 N ATOM 605 CZ ARG A 38 17.921 -0.033 -4.732 1.00 0.00 C ATOM 606 NH1 ARG A 38 18.399 -1.230 -4.937 1.00 0.00 N ATOM 607 NH2 ARG A 38 18.726 0.994 -4.690 1.00 0.00 N ATOM 0 H ARG A 38 11.719 -1.594 -2.317 1.00 0.00 H new ATOM 0 HA ARG A 38 13.177 0.712 -1.107 1.00 0.00 H new ATOM 0 HB2 ARG A 38 13.526 -0.971 -3.412 1.00 0.00 H new ATOM 0 HB3 ARG A 38 13.124 0.623 -4.020 1.00 0.00 H new ATOM 0 HG2 ARG A 38 15.107 1.548 -3.284 1.00 0.00 H new ATOM 0 HG3 ARG A 38 15.057 0.687 -1.758 1.00 0.00 H new ATOM 0 HD2 ARG A 38 16.695 -0.670 -2.598 1.00 0.00 H new ATOM 0 HD3 ARG A 38 15.467 -1.372 -3.631 1.00 0.00 H new ATOM 0 HE ARG A 38 16.100 0.663 -5.253 1.00 0.00 H new ATOM 0 HH11 ARG A 38 17.770 -2.032 -4.967 1.00 0.00 H new ATOM 0 HH12 ARG A 38 19.402 -1.363 -5.068 1.00 0.00 H new ATOM 0 HH21 ARG A 38 18.352 1.929 -4.527 1.00 0.00 H new ATOM 0 HH22 ARG A 38 19.729 0.862 -4.821 1.00 0.00 H new ATOM 621 N PHE A 39 10.366 0.873 -2.749 1.00 0.00 N ATOM 622 CA PHE A 39 9.261 1.806 -3.128 1.00 0.00 C ATOM 623 C PHE A 39 8.857 2.665 -1.917 1.00 0.00 C ATOM 624 O PHE A 39 8.569 3.836 -2.055 1.00 0.00 O ATOM 625 CB PHE A 39 8.060 0.970 -3.627 1.00 0.00 C ATOM 626 CG PHE A 39 6.798 1.813 -3.729 1.00 0.00 C ATOM 627 CD1 PHE A 39 6.058 2.091 -2.573 1.00 0.00 C ATOM 628 CD2 PHE A 39 6.370 2.306 -4.970 1.00 0.00 C ATOM 629 CE1 PHE A 39 4.893 2.859 -2.653 1.00 0.00 C ATOM 630 CE2 PHE A 39 5.201 3.073 -5.050 1.00 0.00 C ATOM 631 CZ PHE A 39 4.464 3.349 -3.890 1.00 0.00 C ATOM 0 H PHE A 39 10.154 -0.117 -2.871 1.00 0.00 H new ATOM 0 HA PHE A 39 9.593 2.476 -3.921 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.293 0.543 -4.602 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.888 0.136 -2.946 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.388 1.711 -1.618 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.941 2.095 -5.862 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.325 3.074 -1.760 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.868 3.452 -6.005 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.563 3.941 -3.952 1.00 0.00 H new ATOM 641 N VAL A 40 8.790 2.088 -0.750 1.00 0.00 N ATOM 642 CA VAL A 40 8.360 2.876 0.443 1.00 0.00 C ATOM 643 C VAL A 40 9.455 3.864 0.858 1.00 0.00 C ATOM 644 O VAL A 40 9.215 5.044 1.021 1.00 0.00 O ATOM 645 CB VAL A 40 8.068 1.925 1.611 1.00 0.00 C ATOM 646 CG1 VAL A 40 7.511 2.718 2.797 1.00 0.00 C ATOM 647 CG2 VAL A 40 7.040 0.876 1.178 1.00 0.00 C ATOM 0 H VAL A 40 9.013 1.109 -0.569 1.00 0.00 H new ATOM 0 HA VAL A 40 7.460 3.433 0.185 1.00 0.00 H new ATOM 0 HB VAL A 40 8.993 1.430 1.906 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.305 2.039 3.624 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.242 3.463 3.112 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.589 3.218 2.500 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.835 0.202 2.010 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.117 1.373 0.878 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.435 0.305 0.338 1.00 0.00 H new ATOM 657 N GLN A 41 10.641 3.375 1.068 1.00 0.00 N ATOM 658 CA GLN A 41 11.766 4.251 1.530 1.00 0.00 C ATOM 659 C GLN A 41 12.064 5.400 0.553 1.00 0.00 C ATOM 660 O GLN A 41 12.647 6.395 0.946 1.00 0.00 O ATOM 661 CB GLN A 41 13.030 3.402 1.692 1.00 0.00 C ATOM 662 CG GLN A 41 14.106 4.225 2.405 1.00 0.00 C ATOM 663 CD GLN A 41 15.315 3.339 2.708 1.00 0.00 C ATOM 664 OE1 GLN A 41 16.363 3.498 2.114 1.00 0.00 O ATOM 665 NE2 GLN A 41 15.213 2.405 3.613 1.00 0.00 N ATOM 0 H GLN A 41 10.889 2.394 0.940 1.00 0.00 H new ATOM 0 HA GLN A 41 11.462 4.694 2.478 1.00 0.00 H new ATOM 0 HB2 GLN A 41 12.806 2.502 2.264 1.00 0.00 H new ATOM 0 HB3 GLN A 41 13.391 3.078 0.716 1.00 0.00 H new ATOM 0 HG2 GLN A 41 14.407 5.067 1.781 1.00 0.00 H new ATOM 0 HG3 GLN A 41 13.706 4.641 3.330 1.00 0.00 H new ATOM 0 HE21 GLN A 41 14.333 2.272 4.111 1.00 0.00 H new ATOM 0 HE22 GLN A 41 16.013 1.808 3.822 1.00 0.00 H new ATOM 674 N GLU A 42 11.715 5.277 -0.706 1.00 0.00 N ATOM 675 CA GLU A 42 12.039 6.380 -1.672 1.00 0.00 C ATOM 676 C GLU A 42 10.774 6.990 -2.283 1.00 0.00 C ATOM 677 O GLU A 42 10.615 8.197 -2.309 1.00 0.00 O ATOM 678 CB GLU A 42 12.914 5.818 -2.795 1.00 0.00 C ATOM 679 CG GLU A 42 14.310 5.509 -2.250 1.00 0.00 C ATOM 680 CD GLU A 42 15.135 6.796 -2.199 1.00 0.00 C ATOM 681 OE1 GLU A 42 14.883 7.604 -1.320 1.00 0.00 O ATOM 682 OE2 GLU A 42 16.006 6.951 -3.038 1.00 0.00 O ATOM 0 H GLU A 42 11.227 4.474 -1.104 1.00 0.00 H new ATOM 0 HA GLU A 42 12.563 7.165 -1.126 1.00 0.00 H new ATOM 0 HB2 GLU A 42 12.463 4.913 -3.203 1.00 0.00 H new ATOM 0 HB3 GLU A 42 12.982 6.537 -3.612 1.00 0.00 H new ATOM 0 HG2 GLU A 42 14.235 5.073 -1.254 1.00 0.00 H new ATOM 0 HG3 GLU A 42 14.804 4.773 -2.884 1.00 0.00 H new ATOM 689 N VAL A 43 9.897 6.178 -2.805 1.00 0.00 N ATOM 690 CA VAL A 43 8.662 6.717 -3.456 1.00 0.00 C ATOM 691 C VAL A 43 7.591 7.108 -2.421 1.00 0.00 C ATOM 692 O VAL A 43 6.592 7.706 -2.779 1.00 0.00 O ATOM 693 CB VAL A 43 8.086 5.665 -4.411 1.00 0.00 C ATOM 694 CG1 VAL A 43 6.951 6.284 -5.227 1.00 0.00 C ATOM 695 CG2 VAL A 43 9.185 5.179 -5.362 1.00 0.00 C ATOM 0 H VAL A 43 9.979 5.161 -2.811 1.00 0.00 H new ATOM 0 HA VAL A 43 8.941 7.616 -4.005 1.00 0.00 H new ATOM 0 HB VAL A 43 7.705 4.823 -3.833 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.541 5.536 -5.906 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.167 6.632 -4.554 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.334 7.126 -5.803 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.775 4.431 -6.040 1.00 0.00 H new ATOM 0 HG22 VAL A 43 9.566 6.022 -5.939 1.00 0.00 H new ATOM 0 HG23 VAL A 43 9.997 4.738 -4.784 1.00 0.00 H new ATOM 705 N LEU A 44 7.768 6.789 -1.156 1.00 0.00 N ATOM 706 CA LEU A 44 6.724 7.171 -0.149 1.00 0.00 C ATOM 707 C LEU A 44 6.946 8.617 0.321 1.00 0.00 C ATOM 708 O LEU A 44 6.036 9.419 0.251 1.00 0.00 O ATOM 709 CB LEU A 44 6.767 6.230 1.058 1.00 0.00 C ATOM 710 CG LEU A 44 5.427 6.289 1.800 1.00 0.00 C ATOM 711 CD1 LEU A 44 4.373 5.490 1.022 1.00 0.00 C ATOM 712 CD2 LEU A 44 5.588 5.701 3.212 1.00 0.00 C ATOM 0 H LEU A 44 8.576 6.290 -0.784 1.00 0.00 H new ATOM 0 HA LEU A 44 5.747 7.090 -0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.969 5.210 0.730 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.578 6.516 1.727 1.00 0.00 H new ATOM 0 HG LEU A 44 5.105 7.327 1.880 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.421 5.533 1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.255 5.917 0.026 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.694 4.452 0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.633 5.745 3.736 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.914 4.664 3.139 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.331 6.277 3.763 1.00 0.00 H new ATOM 724 N PRO A 45 8.143 8.910 0.792 1.00 0.00 N ATOM 725 CA PRO A 45 8.388 10.298 1.260 1.00 0.00 C ATOM 726 C PRO A 45 8.404 11.273 0.076 1.00 0.00 C ATOM 727 O PRO A 45 8.183 12.458 0.239 1.00 0.00 O ATOM 728 CB PRO A 45 9.763 10.251 1.925 1.00 0.00 C ATOM 729 CG PRO A 45 10.491 9.041 1.322 1.00 0.00 C ATOM 730 CD PRO A 45 9.404 8.119 0.749 1.00 0.00 C ATOM 0 HA PRO A 45 7.610 10.642 1.941 1.00 0.00 H new ATOM 0 HB2 PRO A 45 10.317 11.171 1.738 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.669 10.149 3.006 1.00 0.00 H new ATOM 0 HG2 PRO A 45 11.184 9.355 0.542 1.00 0.00 H new ATOM 0 HG3 PRO A 45 11.078 8.524 2.081 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.643 7.818 -0.271 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.314 7.206 1.338 1.00 0.00 H new ATOM 738 N LYS A 46 8.667 10.786 -1.115 1.00 0.00 N ATOM 739 CA LYS A 46 8.703 11.684 -2.314 1.00 0.00 C ATOM 740 C LYS A 46 7.369 12.431 -2.443 1.00 0.00 C ATOM 741 O LYS A 46 7.317 13.539 -2.942 1.00 0.00 O ATOM 742 CB LYS A 46 8.951 10.837 -3.573 1.00 0.00 C ATOM 743 CG LYS A 46 10.234 11.300 -4.271 1.00 0.00 C ATOM 744 CD LYS A 46 10.607 10.300 -5.368 1.00 0.00 C ATOM 745 CE LYS A 46 11.358 11.026 -6.484 1.00 0.00 C ATOM 746 NZ LYS A 46 10.381 11.595 -7.455 1.00 0.00 N ATOM 0 H LYS A 46 8.859 9.803 -1.308 1.00 0.00 H new ATOM 0 HA LYS A 46 9.506 12.412 -2.201 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.034 9.784 -3.303 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.104 10.926 -4.254 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.089 12.291 -4.701 1.00 0.00 H new ATOM 0 HG3 LYS A 46 11.045 11.382 -3.548 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.228 9.505 -4.955 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.709 9.829 -5.766 1.00 0.00 H new ATOM 0 HE2 LYS A 46 11.974 11.821 -6.064 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.031 10.336 -6.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.893 12.089 -8.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.811 10.827 -7.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.756 12.267 -6.965 1.00 0.00 H new ATOM 760 N TYR A 47 6.299 11.834 -1.987 1.00 0.00 N ATOM 761 CA TYR A 47 4.969 12.504 -2.068 1.00 0.00 C ATOM 762 C TYR A 47 4.540 12.922 -0.661 1.00 0.00 C ATOM 763 O TYR A 47 4.359 14.092 -0.378 1.00 0.00 O ATOM 764 CB TYR A 47 3.939 11.533 -2.651 1.00 0.00 C ATOM 765 CG TYR A 47 4.310 11.194 -4.075 1.00 0.00 C ATOM 766 CD1 TYR A 47 5.408 10.365 -4.334 1.00 0.00 C ATOM 767 CD2 TYR A 47 3.555 11.708 -5.137 1.00 0.00 C ATOM 768 CE1 TYR A 47 5.751 10.049 -5.655 1.00 0.00 C ATOM 769 CE2 TYR A 47 3.898 11.394 -6.457 1.00 0.00 C ATOM 770 CZ TYR A 47 4.995 10.563 -6.716 1.00 0.00 C ATOM 771 OH TYR A 47 5.333 10.254 -8.017 1.00 0.00 O ATOM 0 H TYR A 47 6.290 10.908 -1.560 1.00 0.00 H new ATOM 0 HA TYR A 47 5.036 13.382 -2.711 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.899 10.625 -2.049 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.945 11.980 -2.620 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.991 9.969 -3.515 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.708 12.347 -4.937 1.00 0.00 H new ATOM 0 HE1 TYR A 47 6.598 9.409 -5.855 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.317 11.792 -7.276 1.00 0.00 H new ATOM 0 HH TYR A 47 4.706 10.691 -8.630 1.00 0.00 H new ATOM 781 N PHE A 48 4.389 11.970 0.223 1.00 0.00 N ATOM 782 CA PHE A 48 3.984 12.291 1.621 1.00 0.00 C ATOM 783 C PHE A 48 5.237 12.621 2.436 1.00 0.00 C ATOM 784 O PHE A 48 6.324 12.724 1.898 1.00 0.00 O ATOM 785 CB PHE A 48 3.278 11.081 2.237 1.00 0.00 C ATOM 786 CG PHE A 48 1.866 10.996 1.710 1.00 0.00 C ATOM 787 CD1 PHE A 48 1.002 12.090 1.843 1.00 0.00 C ATOM 788 CD2 PHE A 48 1.420 9.825 1.087 1.00 0.00 C ATOM 789 CE1 PHE A 48 -0.308 12.012 1.353 1.00 0.00 C ATOM 790 CE2 PHE A 48 0.110 9.746 0.597 1.00 0.00 C ATOM 791 CZ PHE A 48 -0.753 10.840 0.730 1.00 0.00 C ATOM 0 H PHE A 48 4.530 10.978 0.033 1.00 0.00 H new ATOM 0 HA PHE A 48 3.305 13.144 1.624 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.822 10.168 1.996 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.267 11.168 3.323 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.346 12.994 2.323 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.086 8.981 0.984 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.974 12.856 1.456 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.234 8.842 0.117 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.763 10.780 0.352 1.00 0.00 H new ATOM 801 N LYS A 49 5.095 12.788 3.726 1.00 0.00 N ATOM 802 CA LYS A 49 6.280 13.113 4.582 1.00 0.00 C ATOM 803 C LYS A 49 6.265 12.225 5.828 1.00 0.00 C ATOM 804 O LYS A 49 7.101 11.354 5.988 1.00 0.00 O ATOM 805 CB LYS A 49 6.279 14.603 5.007 1.00 0.00 C ATOM 806 CG LYS A 49 4.879 15.231 4.892 1.00 0.00 C ATOM 807 CD LYS A 49 4.586 15.565 3.425 1.00 0.00 C ATOM 808 CE LYS A 49 3.798 16.873 3.340 1.00 0.00 C ATOM 809 NZ LYS A 49 3.311 17.068 1.946 1.00 0.00 N ATOM 0 H LYS A 49 4.209 12.714 4.226 1.00 0.00 H new ATOM 0 HA LYS A 49 7.183 12.928 4.000 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.632 14.688 6.035 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.979 15.159 4.383 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.127 14.542 5.276 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.823 16.134 5.500 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.519 15.655 2.869 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.018 14.757 2.965 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.955 16.848 4.031 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.429 17.711 3.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.775 17.957 1.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.123 17.109 1.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.695 16.274 1.679 1.00 0.00 H new ATOM 823 N HIS A 50 5.324 12.440 6.710 1.00 0.00 N ATOM 824 CA HIS A 50 5.252 11.613 7.950 1.00 0.00 C ATOM 825 C HIS A 50 4.208 10.509 7.770 1.00 0.00 C ATOM 826 O HIS A 50 3.480 10.175 8.687 1.00 0.00 O ATOM 827 CB HIS A 50 4.864 12.503 9.131 1.00 0.00 C ATOM 828 CG HIS A 50 5.963 13.498 9.378 1.00 0.00 C ATOM 829 ND1 HIS A 50 6.078 14.668 8.646 1.00 0.00 N ATOM 830 CD2 HIS A 50 7.009 13.506 10.267 1.00 0.00 C ATOM 831 CE1 HIS A 50 7.159 15.326 9.102 1.00 0.00 C ATOM 832 NE2 HIS A 50 7.763 14.662 10.091 1.00 0.00 N ATOM 0 H HIS A 50 4.601 13.154 6.624 1.00 0.00 H new ATOM 0 HA HIS A 50 6.224 11.159 8.143 1.00 0.00 H new ATOM 0 HB2 HIS A 50 3.928 13.021 8.920 1.00 0.00 H new ATOM 0 HB3 HIS A 50 4.699 11.896 10.021 1.00 0.00 H new ATOM 0 HD2 HIS A 50 7.215 12.733 10.992 1.00 0.00 H new ATOM 0 HE1 HIS A 50 7.497 16.276 8.715 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.597 14.942 10.606 1.00 0.00 H new ATOM 840 N SER A 51 4.139 9.935 6.596 1.00 0.00 N ATOM 841 CA SER A 51 3.153 8.844 6.345 1.00 0.00 C ATOM 842 C SER A 51 3.850 7.492 6.527 1.00 0.00 C ATOM 843 O SER A 51 4.895 7.406 7.144 1.00 0.00 O ATOM 844 CB SER A 51 2.612 8.962 4.918 1.00 0.00 C ATOM 845 OG SER A 51 3.613 8.545 3.999 1.00 0.00 O ATOM 0 H SER A 51 4.726 10.177 5.798 1.00 0.00 H new ATOM 0 HA SER A 51 2.323 8.925 7.047 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.719 8.348 4.804 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.319 9.992 4.712 1.00 0.00 H new ATOM 0 HG SER A 51 3.195 8.311 3.144 1.00 0.00 H new ATOM 851 N ASN A 52 3.282 6.437 5.998 1.00 0.00 N ATOM 852 CA ASN A 52 3.910 5.090 6.141 1.00 0.00 C ATOM 853 C ASN A 52 3.187 4.091 5.236 1.00 0.00 C ATOM 854 O ASN A 52 2.088 4.338 4.779 1.00 0.00 O ATOM 855 CB ASN A 52 3.802 4.633 7.599 1.00 0.00 C ATOM 856 CG ASN A 52 4.901 3.607 7.896 1.00 0.00 C ATOM 857 OD1 ASN A 52 5.990 3.704 7.368 1.00 0.00 O ATOM 858 ND2 ASN A 52 4.664 2.618 8.722 1.00 0.00 N ATOM 0 H ASN A 52 2.408 6.452 5.472 1.00 0.00 H new ATOM 0 HA ASN A 52 4.960 5.144 5.853 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.898 5.489 8.267 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.821 4.194 7.782 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.393 1.933 8.920 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.750 2.533 9.167 1.00 0.00 H new ATOM 865 N PHE A 53 3.801 2.962 4.975 1.00 0.00 N ATOM 866 CA PHE A 53 3.161 1.930 4.097 1.00 0.00 C ATOM 867 C PHE A 53 1.782 1.550 4.652 1.00 0.00 C ATOM 868 O PHE A 53 0.880 1.209 3.912 1.00 0.00 O ATOM 869 CB PHE A 53 4.045 0.676 4.037 1.00 0.00 C ATOM 870 CG PHE A 53 4.484 0.278 5.430 1.00 0.00 C ATOM 871 CD1 PHE A 53 3.599 -0.398 6.279 1.00 0.00 C ATOM 872 CD2 PHE A 53 5.774 0.591 5.871 1.00 0.00 C ATOM 873 CE1 PHE A 53 4.007 -0.761 7.569 1.00 0.00 C ATOM 874 CE2 PHE A 53 6.182 0.227 7.160 1.00 0.00 C ATOM 875 CZ PHE A 53 5.297 -0.449 8.009 1.00 0.00 C ATOM 0 H PHE A 53 4.722 2.709 5.334 1.00 0.00 H new ATOM 0 HA PHE A 53 3.046 2.344 3.095 1.00 0.00 H new ATOM 0 HB2 PHE A 53 3.496 -0.143 3.573 1.00 0.00 H new ATOM 0 HB3 PHE A 53 4.918 0.867 3.413 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.603 -0.639 5.939 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.456 1.114 5.217 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.325 -1.282 8.224 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.179 0.467 7.499 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.611 -0.729 9.004 1.00 0.00 H new ATOM 885 N ALA A 54 1.621 1.607 5.950 1.00 0.00 N ATOM 886 CA ALA A 54 0.308 1.250 6.565 1.00 0.00 C ATOM 887 C ALA A 54 -0.725 2.326 6.221 1.00 0.00 C ATOM 888 O ALA A 54 -1.878 2.032 5.965 1.00 0.00 O ATOM 889 CB ALA A 54 0.466 1.163 8.085 1.00 0.00 C ATOM 0 H ALA A 54 2.345 1.886 6.612 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.027 0.288 6.177 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.492 0.902 8.536 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.203 0.399 8.331 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.799 2.126 8.472 1.00 0.00 H new ATOM 895 N SER A 55 -0.317 3.568 6.215 1.00 0.00 N ATOM 896 CA SER A 55 -1.264 4.678 5.891 1.00 0.00 C ATOM 897 C SER A 55 -1.608 4.650 4.397 1.00 0.00 C ATOM 898 O SER A 55 -2.650 5.127 3.988 1.00 0.00 O ATOM 899 CB SER A 55 -0.607 6.015 6.241 1.00 0.00 C ATOM 900 OG SER A 55 -1.088 6.459 7.503 1.00 0.00 O ATOM 0 H SER A 55 0.637 3.864 6.422 1.00 0.00 H new ATOM 0 HA SER A 55 -2.180 4.555 6.469 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.477 5.904 6.271 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.831 6.755 5.473 1.00 0.00 H new ATOM 0 HG SER A 55 -0.668 7.314 7.731 1.00 0.00 H new ATOM 906 N PHE A 56 -0.741 4.105 3.579 1.00 0.00 N ATOM 907 CA PHE A 56 -1.014 4.052 2.111 1.00 0.00 C ATOM 908 C PHE A 56 -2.066 2.980 1.816 1.00 0.00 C ATOM 909 O PHE A 56 -3.016 3.213 1.093 1.00 0.00 O ATOM 910 CB PHE A 56 0.283 3.713 1.366 1.00 0.00 C ATOM 911 CG PHE A 56 0.064 3.794 -0.132 1.00 0.00 C ATOM 912 CD1 PHE A 56 -0.581 4.906 -0.690 1.00 0.00 C ATOM 913 CD2 PHE A 56 0.516 2.760 -0.963 1.00 0.00 C ATOM 914 CE1 PHE A 56 -0.776 4.983 -2.074 1.00 0.00 C ATOM 915 CE2 PHE A 56 0.321 2.840 -2.349 1.00 0.00 C ATOM 916 CZ PHE A 56 -0.324 3.951 -2.903 1.00 0.00 C ATOM 0 H PHE A 56 0.147 3.693 3.867 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.387 5.021 1.779 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.072 4.403 1.663 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.616 2.712 1.638 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.928 5.705 -0.051 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.014 1.902 -0.536 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.276 5.840 -2.502 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.669 2.043 -2.990 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.473 4.012 -3.971 1.00 0.00 H new ATOM 926 N VAL A 57 -1.895 1.808 2.367 1.00 0.00 N ATOM 927 CA VAL A 57 -2.873 0.704 2.124 1.00 0.00 C ATOM 928 C VAL A 57 -4.214 1.050 2.780 1.00 0.00 C ATOM 929 O VAL A 57 -5.262 0.644 2.313 1.00 0.00 O ATOM 930 CB VAL A 57 -2.324 -0.595 2.722 1.00 0.00 C ATOM 931 CG1 VAL A 57 -3.268 -1.759 2.397 1.00 0.00 C ATOM 932 CG2 VAL A 57 -0.943 -0.883 2.126 1.00 0.00 C ATOM 0 H VAL A 57 -1.116 1.565 2.979 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.023 0.577 1.052 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.245 -0.487 3.804 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.871 -2.680 2.825 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.253 -1.557 2.819 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.352 -1.869 1.316 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.549 -1.807 2.550 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.028 -0.987 1.044 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.267 -0.060 2.359 1.00 0.00 H new ATOM 942 N ARG A 58 -4.187 1.793 3.857 1.00 0.00 N ATOM 943 CA ARG A 58 -5.458 2.165 4.548 1.00 0.00 C ATOM 944 C ARG A 58 -6.237 3.162 3.688 1.00 0.00 C ATOM 945 O ARG A 58 -7.428 3.018 3.480 1.00 0.00 O ATOM 946 CB ARG A 58 -5.136 2.804 5.900 1.00 0.00 C ATOM 947 CG ARG A 58 -6.414 2.902 6.734 1.00 0.00 C ATOM 948 CD ARG A 58 -6.764 1.521 7.290 1.00 0.00 C ATOM 949 NE ARG A 58 -7.463 1.672 8.597 1.00 0.00 N ATOM 950 CZ ARG A 58 -8.202 0.699 9.059 1.00 0.00 C ATOM 951 NH1 ARG A 58 -9.088 0.128 8.289 1.00 0.00 N ATOM 952 NH2 ARG A 58 -8.056 0.296 10.292 1.00 0.00 N ATOM 0 H ARG A 58 -3.338 2.159 4.288 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.061 1.270 4.702 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.390 2.209 6.427 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.708 3.796 5.753 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.275 3.611 7.551 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.233 3.278 6.121 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.400 0.985 6.586 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.858 0.928 7.417 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.364 2.535 9.131 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -9.204 0.441 7.325 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -9.664 -0.632 8.651 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.364 0.741 10.895 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -8.633 -0.464 10.652 1.00 0.00 H new ATOM 966 N GLN A 59 -5.571 4.171 3.186 1.00 0.00 N ATOM 967 CA GLN A 59 -6.259 5.188 2.334 1.00 0.00 C ATOM 968 C GLN A 59 -6.844 4.507 1.094 1.00 0.00 C ATOM 969 O GLN A 59 -7.907 4.864 0.620 1.00 0.00 O ATOM 970 CB GLN A 59 -5.247 6.243 1.887 1.00 0.00 C ATOM 971 CG GLN A 59 -4.899 7.174 3.053 1.00 0.00 C ATOM 972 CD GLN A 59 -6.156 7.915 3.528 1.00 0.00 C ATOM 973 OE1 GLN A 59 -7.143 7.976 2.822 1.00 0.00 O ATOM 974 NE2 GLN A 59 -6.157 8.483 4.702 1.00 0.00 N ATOM 0 H GLN A 59 -4.575 4.335 3.331 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.058 5.658 2.908 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -4.344 5.757 1.519 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.657 6.823 1.060 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -4.475 6.597 3.875 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -4.140 7.892 2.742 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -5.328 8.431 5.294 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -6.987 8.979 5.028 1.00 0.00 H new ATOM 983 N LEU A 60 -6.151 3.531 0.569 1.00 0.00 N ATOM 984 CA LEU A 60 -6.648 2.819 -0.642 1.00 0.00 C ATOM 985 C LEU A 60 -7.947 2.078 -0.309 1.00 0.00 C ATOM 986 O LEU A 60 -8.909 2.137 -1.049 1.00 0.00 O ATOM 987 CB LEU A 60 -5.589 1.815 -1.104 1.00 0.00 C ATOM 988 CG LEU A 60 -4.404 2.562 -1.717 1.00 0.00 C ATOM 989 CD1 LEU A 60 -3.177 1.648 -1.730 1.00 0.00 C ATOM 990 CD2 LEU A 60 -4.748 2.975 -3.151 1.00 0.00 C ATOM 0 H LEU A 60 -5.258 3.196 0.930 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.842 3.540 -1.436 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.254 1.211 -0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.018 1.130 -1.836 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.189 3.451 -1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.332 2.180 -2.167 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.932 1.353 -0.710 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.392 0.759 -2.323 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.904 3.508 -3.589 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.963 2.086 -3.744 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.622 3.626 -3.142 1.00 0.00 H new ATOM 1002 N ASN A 61 -7.976 1.376 0.794 1.00 0.00 N ATOM 1003 CA ASN A 61 -9.206 0.617 1.177 1.00 0.00 C ATOM 1004 C ASN A 61 -10.346 1.578 1.545 1.00 0.00 C ATOM 1005 O ASN A 61 -11.502 1.200 1.536 1.00 0.00 O ATOM 1006 CB ASN A 61 -8.891 -0.274 2.378 1.00 0.00 C ATOM 1007 CG ASN A 61 -8.425 -1.647 1.889 1.00 0.00 C ATOM 1008 OD1 ASN A 61 -9.204 -2.574 1.805 1.00 0.00 O ATOM 1009 ND2 ASN A 61 -7.173 -1.815 1.557 1.00 0.00 N ATOM 0 H ASN A 61 -7.198 1.295 1.449 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.522 0.010 0.329 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -8.117 0.186 2.992 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -9.775 -0.381 3.006 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -6.850 -2.725 1.227 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.518 -1.036 1.627 1.00 0.00 H new ATOM 1016 N MET A 62 -10.034 2.807 1.877 1.00 0.00 N ATOM 1017 CA MET A 62 -11.106 3.780 2.258 1.00 0.00 C ATOM 1018 C MET A 62 -11.698 4.461 1.015 1.00 0.00 C ATOM 1019 O MET A 62 -12.698 5.148 1.107 1.00 0.00 O ATOM 1020 CB MET A 62 -10.517 4.851 3.178 1.00 0.00 C ATOM 1021 CG MET A 62 -10.439 4.318 4.609 1.00 0.00 C ATOM 1022 SD MET A 62 -9.737 5.590 5.688 1.00 0.00 S ATOM 1023 CE MET A 62 -10.588 5.096 7.205 1.00 0.00 C ATOM 0 H MET A 62 -9.084 3.179 1.901 1.00 0.00 H new ATOM 0 HA MET A 62 -11.898 3.234 2.770 1.00 0.00 H new ATOM 0 HB2 MET A 62 -9.523 5.135 2.831 1.00 0.00 H new ATOM 0 HB3 MET A 62 -11.134 5.749 3.148 1.00 0.00 H new ATOM 0 HG2 MET A 62 -11.432 4.037 4.959 1.00 0.00 H new ATOM 0 HG3 MET A 62 -9.824 3.419 4.641 1.00 0.00 H new ATOM 0 HE1 MET A 62 -10.296 5.760 8.019 1.00 0.00 H new ATOM 0 HE2 MET A 62 -11.666 5.158 7.054 1.00 0.00 H new ATOM 0 HE3 MET A 62 -10.316 4.071 7.458 1.00 0.00 H new ATOM 1033 N TYR A 63 -11.096 4.291 -0.139 1.00 0.00 N ATOM 1034 CA TYR A 63 -11.637 4.949 -1.366 1.00 0.00 C ATOM 1035 C TYR A 63 -12.322 3.913 -2.259 1.00 0.00 C ATOM 1036 O TYR A 63 -13.417 4.129 -2.742 1.00 0.00 O ATOM 1037 CB TYR A 63 -10.494 5.613 -2.134 1.00 0.00 C ATOM 1038 CG TYR A 63 -10.149 6.925 -1.472 1.00 0.00 C ATOM 1039 CD1 TYR A 63 -11.124 7.922 -1.352 1.00 0.00 C ATOM 1040 CD2 TYR A 63 -8.860 7.139 -0.972 1.00 0.00 C ATOM 1041 CE1 TYR A 63 -10.808 9.138 -0.734 1.00 0.00 C ATOM 1042 CE2 TYR A 63 -8.543 8.355 -0.354 1.00 0.00 C ATOM 1043 CZ TYR A 63 -9.517 9.354 -0.233 1.00 0.00 C ATOM 1044 OH TYR A 63 -9.206 10.552 0.375 1.00 0.00 O ATOM 0 H TYR A 63 -10.258 3.728 -0.281 1.00 0.00 H new ATOM 0 HA TYR A 63 -12.368 5.703 -1.074 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -9.622 4.959 -2.150 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -10.785 5.780 -3.171 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -12.119 7.753 -1.736 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -8.110 6.367 -1.063 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -11.559 9.909 -0.643 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.547 8.522 0.029 1.00 0.00 H new ATOM 0 HH TYR A 63 -8.271 10.538 0.667 1.00 0.00 H new ATOM 1054 N GLY A 64 -11.685 2.793 -2.482 1.00 0.00 N ATOM 1055 CA GLY A 64 -12.294 1.742 -3.347 1.00 0.00 C ATOM 1056 C GLY A 64 -11.199 0.808 -3.867 1.00 0.00 C ATOM 1057 O GLY A 64 -11.147 0.494 -5.041 1.00 0.00 O ATOM 0 H GLY A 64 -10.768 2.561 -2.101 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.032 1.174 -2.781 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.819 2.204 -4.183 1.00 0.00 H new ATOM 1061 N TRP A 65 -10.324 0.364 -3.000 1.00 0.00 N ATOM 1062 CA TRP A 65 -9.229 -0.551 -3.436 1.00 0.00 C ATOM 1063 C TRP A 65 -9.215 -1.792 -2.538 1.00 0.00 C ATOM 1064 O TRP A 65 -9.991 -1.899 -1.608 1.00 0.00 O ATOM 1065 CB TRP A 65 -7.889 0.179 -3.331 1.00 0.00 C ATOM 1066 CG TRP A 65 -7.752 1.140 -4.472 1.00 0.00 C ATOM 1067 CD1 TRP A 65 -8.281 2.386 -4.513 1.00 0.00 C ATOM 1068 CD2 TRP A 65 -7.049 0.954 -5.733 1.00 0.00 C ATOM 1069 NE1 TRP A 65 -7.947 2.976 -5.720 1.00 0.00 N ATOM 1070 CE2 TRP A 65 -7.187 2.132 -6.506 1.00 0.00 C ATOM 1071 CE3 TRP A 65 -6.311 -0.113 -6.275 1.00 0.00 C ATOM 1072 CZ2 TRP A 65 -6.613 2.245 -7.773 1.00 0.00 C ATOM 1073 CZ3 TRP A 65 -5.732 -0.002 -7.549 1.00 0.00 C ATOM 1074 CH2 TRP A 65 -5.882 1.175 -8.297 1.00 0.00 C ATOM 0 H TRP A 65 -10.322 0.597 -2.007 1.00 0.00 H new ATOM 0 HA TRP A 65 -9.394 -0.857 -4.469 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -7.827 0.713 -2.383 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -7.069 -0.539 -3.346 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -8.868 2.845 -3.731 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -8.227 3.917 -5.995 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.189 -1.024 -5.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -6.733 3.153 -8.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -5.168 -0.828 -7.956 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -5.433 1.254 -9.276 1.00 0.00 H new ATOM 1085 N HIS A 66 -8.344 -2.732 -2.814 1.00 0.00 N ATOM 1086 CA HIS A 66 -8.285 -3.970 -1.980 1.00 0.00 C ATOM 1087 C HIS A 66 -6.892 -4.599 -2.080 1.00 0.00 C ATOM 1088 O HIS A 66 -6.023 -4.106 -2.772 1.00 0.00 O ATOM 1089 CB HIS A 66 -9.329 -4.971 -2.484 1.00 0.00 C ATOM 1090 CG HIS A 66 -10.699 -4.551 -2.024 1.00 0.00 C ATOM 1091 ND1 HIS A 66 -11.767 -4.430 -2.900 1.00 0.00 N ATOM 1092 CD2 HIS A 66 -11.192 -4.226 -0.785 1.00 0.00 C ATOM 1093 CE1 HIS A 66 -12.839 -4.047 -2.182 1.00 0.00 C ATOM 1094 NE2 HIS A 66 -12.543 -3.909 -0.887 1.00 0.00 N ATOM 0 H HIS A 66 -7.672 -2.694 -3.581 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.490 -3.713 -0.941 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -9.301 -5.023 -3.572 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -9.100 -5.969 -2.111 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -10.618 -4.218 0.130 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -13.819 -3.873 -2.602 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -13.172 -3.631 -0.134 1.00 0.00 H new ATOM 1102 N LYS A 67 -6.682 -5.693 -1.392 1.00 0.00 N ATOM 1103 CA LYS A 67 -5.352 -6.381 -1.434 1.00 0.00 C ATOM 1104 C LYS A 67 -5.571 -7.886 -1.248 1.00 0.00 C ATOM 1105 O LYS A 67 -6.450 -8.305 -0.518 1.00 0.00 O ATOM 1106 CB LYS A 67 -4.395 -5.857 -0.332 1.00 0.00 C ATOM 1107 CG LYS A 67 -5.146 -5.080 0.764 1.00 0.00 C ATOM 1108 CD LYS A 67 -5.971 -6.050 1.616 1.00 0.00 C ATOM 1109 CE LYS A 67 -5.039 -6.968 2.411 1.00 0.00 C ATOM 1110 NZ LYS A 67 -5.557 -7.115 3.801 1.00 0.00 N ATOM 0 H LYS A 67 -7.379 -6.143 -0.799 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.888 -6.173 -2.398 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -3.866 -6.697 0.118 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.642 -5.211 -0.783 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.436 -4.543 1.393 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.799 -4.334 0.311 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.614 -5.493 2.297 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.623 -6.645 0.977 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.975 -7.944 1.930 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.031 -6.554 2.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.814 -7.517 4.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.837 -6.183 4.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.382 -7.748 3.799 1.00 0.00 H new ATOM 1124 N VAL A 68 -4.787 -8.699 -1.911 1.00 0.00 N ATOM 1125 CA VAL A 68 -4.955 -10.179 -1.783 1.00 0.00 C ATOM 1126 C VAL A 68 -3.749 -10.784 -1.058 1.00 0.00 C ATOM 1127 O VAL A 68 -2.701 -10.176 -0.960 1.00 0.00 O ATOM 1128 CB VAL A 68 -5.077 -10.795 -3.179 1.00 0.00 C ATOM 1129 CG1 VAL A 68 -6.343 -10.266 -3.853 1.00 0.00 C ATOM 1130 CG2 VAL A 68 -3.856 -10.410 -4.019 1.00 0.00 C ATOM 0 H VAL A 68 -4.038 -8.401 -2.536 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.856 -10.391 -1.207 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.130 -11.880 -3.095 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.435 -10.702 -4.848 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.214 -10.538 -3.256 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.285 -9.181 -3.936 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.945 -10.849 -5.013 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.802 -9.325 -4.106 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.951 -10.781 -3.537 1.00 0.00 H new ATOM 1140 N GLN A 69 -3.896 -11.985 -0.552 1.00 0.00 N ATOM 1141 CA GLN A 69 -2.771 -12.653 0.171 1.00 0.00 C ATOM 1142 C GLN A 69 -2.345 -11.802 1.368 1.00 0.00 C ATOM 1143 O GLN A 69 -1.420 -11.017 1.282 1.00 0.00 O ATOM 1144 CB GLN A 69 -1.581 -12.828 -0.774 1.00 0.00 C ATOM 1145 CG GLN A 69 -1.675 -14.191 -1.462 1.00 0.00 C ATOM 1146 CD GLN A 69 -0.985 -14.126 -2.825 1.00 0.00 C ATOM 1147 OE1 GLN A 69 -1.640 -14.038 -3.845 1.00 0.00 O ATOM 1148 NE2 GLN A 69 0.318 -14.168 -2.888 1.00 0.00 N ATOM 0 H GLN A 69 -4.754 -12.534 -0.610 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.105 -13.630 0.521 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.574 -12.032 -1.519 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.647 -12.753 -0.218 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.207 -14.956 -0.842 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.720 -14.476 -1.585 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.868 -14.242 -2.032 1.00 0.00 H new ATOM 0 HE22 GLN A 69 0.786 -14.127 -3.793 1.00 0.00 H new ATOM 1157 N ASP A 70 -3.011 -11.958 2.482 1.00 0.00 N ATOM 1158 CA ASP A 70 -2.652 -11.166 3.694 1.00 0.00 C ATOM 1159 C ASP A 70 -3.531 -11.609 4.867 1.00 0.00 C ATOM 1160 O ASP A 70 -4.240 -10.817 5.463 1.00 0.00 O ATOM 1161 CB ASP A 70 -2.872 -9.674 3.415 1.00 0.00 C ATOM 1162 CG ASP A 70 -2.128 -8.842 4.462 1.00 0.00 C ATOM 1163 OD1 ASP A 70 -0.908 -8.875 4.459 1.00 0.00 O ATOM 1164 OD2 ASP A 70 -2.791 -8.187 5.249 1.00 0.00 O ATOM 0 H ASP A 70 -3.792 -12.603 2.604 1.00 0.00 H new ATOM 0 HA ASP A 70 -1.604 -11.333 3.944 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -2.515 -9.424 2.416 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -3.937 -9.442 3.440 1.00 0.00 H new ATOM 1169 N VAL A 71 -3.492 -12.875 5.204 1.00 0.00 N ATOM 1170 CA VAL A 71 -4.324 -13.379 6.334 1.00 0.00 C ATOM 1171 C VAL A 71 -3.472 -14.247 7.261 1.00 0.00 C ATOM 1172 O VAL A 71 -2.398 -14.691 6.900 1.00 0.00 O ATOM 1173 CB VAL A 71 -5.486 -14.206 5.783 1.00 0.00 C ATOM 1174 CG1 VAL A 71 -6.418 -13.299 4.982 1.00 0.00 C ATOM 1175 CG2 VAL A 71 -4.941 -15.310 4.873 1.00 0.00 C ATOM 0 H VAL A 71 -2.918 -13.580 4.742 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.715 -12.532 6.897 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.037 -14.656 6.609 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -7.247 -13.886 4.588 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -6.806 -12.513 5.630 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -5.867 -12.850 4.156 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.769 -15.900 4.480 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.391 -14.861 4.046 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -4.274 -15.956 5.444 1.00 0.00 H new ATOM 1185 N LYS A 72 -3.952 -14.491 8.453 1.00 0.00 N ATOM 1186 CA LYS A 72 -3.188 -15.329 9.423 1.00 0.00 C ATOM 1187 C LYS A 72 -3.277 -16.811 9.026 1.00 0.00 C ATOM 1188 O LYS A 72 -2.514 -17.629 9.507 1.00 0.00 O ATOM 1189 CB LYS A 72 -3.777 -15.131 10.828 1.00 0.00 C ATOM 1190 CG LYS A 72 -2.660 -14.803 11.824 1.00 0.00 C ATOM 1191 CD LYS A 72 -2.087 -13.412 11.523 1.00 0.00 C ATOM 1192 CE LYS A 72 -1.912 -12.632 12.828 1.00 0.00 C ATOM 1193 NZ LYS A 72 -0.621 -13.015 13.468 1.00 0.00 N ATOM 0 H LYS A 72 -4.847 -14.143 8.798 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.140 -15.028 9.416 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.510 -14.325 10.813 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.302 -16.034 11.142 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.048 -14.834 12.842 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.871 -15.553 11.760 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.128 -13.506 11.013 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.754 -12.871 10.852 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.927 -11.561 12.628 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.741 -12.842 13.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.502 -12.485 14.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.624 -14.035 13.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.165 -12.793 12.824 1.00 0.00 H new ATOM 1207 N SER A 73 -4.201 -17.167 8.162 1.00 0.00 N ATOM 1208 CA SER A 73 -4.332 -18.595 7.747 1.00 0.00 C ATOM 1209 C SER A 73 -3.424 -18.864 6.541 1.00 0.00 C ATOM 1210 O SER A 73 -3.886 -19.098 5.439 1.00 0.00 O ATOM 1211 CB SER A 73 -5.787 -18.885 7.375 1.00 0.00 C ATOM 1212 OG SER A 73 -6.643 -18.065 8.159 1.00 0.00 O ATOM 0 H SER A 73 -4.868 -16.528 7.729 1.00 0.00 H new ATOM 0 HA SER A 73 -4.035 -19.243 8.571 1.00 0.00 H new ATOM 0 HB2 SER A 73 -5.949 -18.691 6.315 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.016 -19.937 7.545 1.00 0.00 H new ATOM 0 HG SER A 73 -7.577 -18.246 7.922 1.00 0.00 H new ATOM 1218 N GLY A 74 -2.134 -18.834 6.750 1.00 0.00 N ATOM 1219 CA GLY A 74 -1.179 -19.090 5.633 1.00 0.00 C ATOM 1220 C GLY A 74 -0.021 -19.945 6.146 1.00 0.00 C ATOM 1221 O GLY A 74 1.031 -19.439 6.485 1.00 0.00 O ATOM 0 H GLY A 74 -1.699 -18.642 7.652 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.687 -19.599 4.814 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -0.803 -18.147 5.237 1.00 0.00 H new ATOM 1225 N SER A 75 -0.213 -21.239 6.208 1.00 0.00 N ATOM 1226 CA SER A 75 0.871 -22.138 6.702 1.00 0.00 C ATOM 1227 C SER A 75 2.010 -22.168 5.684 1.00 0.00 C ATOM 1228 O SER A 75 3.168 -22.271 6.042 1.00 0.00 O ATOM 1229 CB SER A 75 0.316 -23.551 6.889 1.00 0.00 C ATOM 1230 OG SER A 75 -0.962 -23.476 7.507 1.00 0.00 O ATOM 0 H SER A 75 -1.076 -21.711 5.937 1.00 0.00 H new ATOM 0 HA SER A 75 1.246 -21.766 7.656 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.238 -24.054 5.925 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.995 -24.143 7.503 1.00 0.00 H new ATOM 0 HG SER A 75 -1.321 -24.380 7.627 1.00 0.00 H new ATOM 1236 N MET A 76 1.689 -22.075 4.418 1.00 0.00 N ATOM 1237 CA MET A 76 2.751 -22.092 3.370 1.00 0.00 C ATOM 1238 C MET A 76 3.592 -20.816 3.486 1.00 0.00 C ATOM 1239 O MET A 76 4.657 -20.824 4.076 1.00 0.00 O ATOM 1240 CB MET A 76 2.102 -22.173 1.985 1.00 0.00 C ATOM 1241 CG MET A 76 2.049 -23.634 1.532 1.00 0.00 C ATOM 1242 SD MET A 76 1.493 -23.715 -0.189 1.00 0.00 S ATOM 1243 CE MET A 76 3.120 -23.980 -0.937 1.00 0.00 C ATOM 0 H MET A 76 0.736 -21.988 4.066 1.00 0.00 H new ATOM 0 HA MET A 76 3.395 -22.960 3.509 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.096 -21.754 2.018 1.00 0.00 H new ATOM 0 HB3 MET A 76 2.671 -21.579 1.269 1.00 0.00 H new ATOM 0 HG2 MET A 76 3.034 -24.091 1.629 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.371 -24.199 2.171 1.00 0.00 H new ATOM 0 HE1 MET A 76 3.014 -24.061 -2.019 1.00 0.00 H new ATOM 0 HE2 MET A 76 3.772 -23.140 -0.698 1.00 0.00 H new ATOM 0 HE3 MET A 76 3.555 -24.899 -0.545 1.00 0.00 H new ATOM 1253 N LEU A 77 3.123 -19.720 2.939 1.00 0.00 N ATOM 1254 CA LEU A 77 3.898 -18.447 3.030 1.00 0.00 C ATOM 1255 C LEU A 77 3.940 -17.999 4.493 1.00 0.00 C ATOM 1256 O LEU A 77 2.917 -17.864 5.138 1.00 0.00 O ATOM 1257 CB LEU A 77 3.223 -17.371 2.170 1.00 0.00 C ATOM 1258 CG LEU A 77 3.980 -17.222 0.847 1.00 0.00 C ATOM 1259 CD1 LEU A 77 3.338 -18.116 -0.217 1.00 0.00 C ATOM 1260 CD2 LEU A 77 3.921 -15.765 0.386 1.00 0.00 C ATOM 0 H LEU A 77 2.239 -19.654 2.435 1.00 0.00 H new ATOM 0 HA LEU A 77 4.914 -18.601 2.666 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.185 -17.643 1.978 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.211 -16.420 2.703 1.00 0.00 H new ATOM 0 HG LEU A 77 5.019 -17.518 0.992 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.879 -18.008 -1.157 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.379 -19.156 0.108 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.298 -17.822 -0.360 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.460 -15.659 -0.556 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.881 -15.470 0.244 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.380 -15.126 1.140 1.00 0.00 H new ATOM 1272 N SER A 78 5.117 -17.783 5.021 1.00 0.00 N ATOM 1273 CA SER A 78 5.240 -17.359 6.447 1.00 0.00 C ATOM 1274 C SER A 78 4.519 -16.022 6.666 1.00 0.00 C ATOM 1275 O SER A 78 3.395 -15.989 7.132 1.00 0.00 O ATOM 1276 CB SER A 78 6.721 -17.225 6.808 1.00 0.00 C ATOM 1277 OG SER A 78 7.437 -16.735 5.682 1.00 0.00 O ATOM 0 H SER A 78 6.002 -17.883 4.523 1.00 0.00 H new ATOM 0 HA SER A 78 4.778 -18.109 7.088 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.841 -16.547 7.653 1.00 0.00 H new ATOM 0 HB3 SER A 78 7.121 -18.191 7.115 1.00 0.00 H new ATOM 0 HG SER A 78 8.386 -16.646 5.911 1.00 0.00 H new ATOM 1283 N ASN A 79 5.154 -14.920 6.343 1.00 0.00 N ATOM 1284 CA ASN A 79 4.500 -13.590 6.543 1.00 0.00 C ATOM 1285 C ASN A 79 4.859 -12.653 5.388 1.00 0.00 C ATOM 1286 O ASN A 79 5.858 -11.961 5.426 1.00 0.00 O ATOM 1287 CB ASN A 79 4.985 -12.983 7.861 1.00 0.00 C ATOM 1288 CG ASN A 79 4.602 -13.904 9.020 1.00 0.00 C ATOM 1289 OD1 ASN A 79 3.579 -13.717 9.647 1.00 0.00 O ATOM 1290 ND2 ASN A 79 5.386 -14.899 9.334 1.00 0.00 N ATOM 0 H ASN A 79 6.095 -14.885 5.950 1.00 0.00 H new ATOM 0 HA ASN A 79 3.418 -13.721 6.573 1.00 0.00 H new ATOM 0 HB2 ASN A 79 6.066 -12.846 7.834 1.00 0.00 H new ATOM 0 HB3 ASN A 79 4.542 -11.997 8.004 1.00 0.00 H new ATOM 0 HD21 ASN A 79 5.139 -15.519 10.106 1.00 0.00 H new ATOM 0 HD22 ASN A 79 6.245 -15.057 8.808 1.00 0.00 H new ATOM 1297 N ASN A 80 4.045 -12.624 4.359 1.00 0.00 N ATOM 1298 CA ASN A 80 4.325 -11.731 3.192 1.00 0.00 C ATOM 1299 C ASN A 80 5.698 -12.063 2.604 1.00 0.00 C ATOM 1300 O ASN A 80 6.378 -12.960 3.065 1.00 0.00 O ATOM 1301 CB ASN A 80 4.312 -10.271 3.649 1.00 0.00 C ATOM 1302 CG ASN A 80 2.907 -9.695 3.472 1.00 0.00 C ATOM 1303 OD1 ASN A 80 2.286 -9.878 2.443 1.00 0.00 O ATOM 1304 ND2 ASN A 80 2.377 -9.001 4.440 1.00 0.00 N ATOM 0 H ASN A 80 3.196 -13.183 4.278 1.00 0.00 H new ATOM 0 HA ASN A 80 3.558 -11.884 2.433 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.616 -10.203 4.694 1.00 0.00 H new ATOM 0 HB3 ASN A 80 5.030 -9.691 3.070 1.00 0.00 H new ATOM 0 HD21 ASN A 80 1.440 -8.611 4.334 1.00 0.00 H new ATOM 0 HD22 ASN A 80 2.899 -8.848 5.303 1.00 0.00 H new ATOM 1311 N ASP A 81 6.109 -11.344 1.590 1.00 0.00 N ATOM 1312 CA ASP A 81 7.438 -11.613 0.971 1.00 0.00 C ATOM 1313 C ASP A 81 7.962 -10.346 0.291 1.00 0.00 C ATOM 1314 O ASP A 81 9.084 -9.935 0.516 1.00 0.00 O ATOM 1315 CB ASP A 81 7.298 -12.727 -0.067 1.00 0.00 C ATOM 1316 CG ASP A 81 8.685 -13.247 -0.448 1.00 0.00 C ATOM 1317 OD1 ASP A 81 9.330 -13.839 0.403 1.00 0.00 O ATOM 1318 OD2 ASP A 81 9.080 -13.044 -1.584 1.00 0.00 O ATOM 0 H ASP A 81 5.580 -10.582 1.165 1.00 0.00 H new ATOM 0 HA ASP A 81 8.140 -11.920 1.746 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.691 -13.539 0.335 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.783 -12.352 -0.951 1.00 0.00 H new ATOM 1323 N SER A 82 7.160 -9.721 -0.543 1.00 0.00 N ATOM 1324 CA SER A 82 7.615 -8.473 -1.247 1.00 0.00 C ATOM 1325 C SER A 82 6.581 -8.038 -2.298 1.00 0.00 C ATOM 1326 O SER A 82 6.495 -6.872 -2.636 1.00 0.00 O ATOM 1327 CB SER A 82 8.957 -8.726 -1.950 1.00 0.00 C ATOM 1328 OG SER A 82 10.015 -8.258 -1.124 1.00 0.00 O ATOM 0 H SER A 82 6.211 -10.020 -0.767 1.00 0.00 H new ATOM 0 HA SER A 82 7.727 -7.685 -0.502 1.00 0.00 H new ATOM 0 HB2 SER A 82 9.081 -9.790 -2.151 1.00 0.00 H new ATOM 0 HB3 SER A 82 8.978 -8.215 -2.913 1.00 0.00 H new ATOM 0 HG SER A 82 10.137 -8.872 -0.370 1.00 0.00 H new ATOM 1334 N ARG A 83 5.817 -8.960 -2.832 1.00 0.00 N ATOM 1335 CA ARG A 83 4.810 -8.596 -3.874 1.00 0.00 C ATOM 1336 C ARG A 83 3.512 -8.116 -3.216 1.00 0.00 C ATOM 1337 O ARG A 83 3.005 -8.730 -2.295 1.00 0.00 O ATOM 1338 CB ARG A 83 4.511 -9.822 -4.740 1.00 0.00 C ATOM 1339 CG ARG A 83 5.788 -10.265 -5.456 1.00 0.00 C ATOM 1340 CD ARG A 83 5.422 -11.049 -6.718 1.00 0.00 C ATOM 1341 NE ARG A 83 6.665 -11.423 -7.448 1.00 0.00 N ATOM 1342 CZ ARG A 83 7.156 -12.626 -7.332 1.00 0.00 C ATOM 1343 NH1 ARG A 83 7.563 -13.054 -6.169 1.00 0.00 N ATOM 1344 NH2 ARG A 83 7.237 -13.404 -8.377 1.00 0.00 N ATOM 0 H ARG A 83 5.849 -9.950 -2.590 1.00 0.00 H new ATOM 0 HA ARG A 83 5.215 -7.793 -4.490 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.129 -10.633 -4.121 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.736 -9.585 -5.469 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.391 -9.395 -5.718 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.393 -10.884 -4.793 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.860 -11.944 -6.453 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.778 -10.447 -7.359 1.00 0.00 H new ATOM 0 HE ARG A 83 7.133 -10.737 -8.040 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.497 -12.448 -5.351 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.947 -13.995 -6.078 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.916 -13.072 -9.286 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.621 -14.344 -8.284 1.00 0.00 H new ATOM 1358 N TRP A 84 2.969 -7.027 -3.698 1.00 0.00 N ATOM 1359 CA TRP A 84 1.694 -6.493 -3.130 1.00 0.00 C ATOM 1360 C TRP A 84 0.783 -6.064 -4.284 1.00 0.00 C ATOM 1361 O TRP A 84 1.104 -5.153 -5.025 1.00 0.00 O ATOM 1362 CB TRP A 84 1.980 -5.277 -2.241 1.00 0.00 C ATOM 1363 CG TRP A 84 2.642 -5.717 -0.974 1.00 0.00 C ATOM 1364 CD1 TRP A 84 3.880 -6.245 -0.896 1.00 0.00 C ATOM 1365 CD2 TRP A 84 2.130 -5.668 0.390 1.00 0.00 C ATOM 1366 NE1 TRP A 84 4.167 -6.526 0.426 1.00 0.00 N ATOM 1367 CE2 TRP A 84 3.117 -6.192 1.259 1.00 0.00 C ATOM 1368 CE3 TRP A 84 0.918 -5.229 0.953 1.00 0.00 C ATOM 1369 CZ2 TRP A 84 2.909 -6.276 2.637 1.00 0.00 C ATOM 1370 CZ3 TRP A 84 0.706 -5.311 2.339 1.00 0.00 C ATOM 1371 CH2 TRP A 84 1.698 -5.834 3.179 1.00 0.00 C ATOM 0 H TRP A 84 3.358 -6.481 -4.467 1.00 0.00 H new ATOM 0 HA TRP A 84 1.213 -7.267 -2.532 1.00 0.00 H new ATOM 0 HB2 TRP A 84 2.620 -4.571 -2.770 1.00 0.00 H new ATOM 0 HB3 TRP A 84 1.050 -4.755 -2.014 1.00 0.00 H new ATOM 0 HD1 TRP A 84 4.541 -6.420 -1.732 1.00 0.00 H new ATOM 0 HE1 TRP A 84 5.046 -6.931 0.747 1.00 0.00 H new ATOM 0 HE3 TRP A 84 0.145 -4.826 0.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 3.678 -6.679 3.280 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -0.228 -4.969 2.760 1.00 0.00 H new ATOM 0 HH2 TRP A 84 1.528 -5.896 4.244 1.00 0.00 H new ATOM 1382 N GLU A 85 -0.342 -6.714 -4.450 1.00 0.00 N ATOM 1383 CA GLU A 85 -1.265 -6.344 -5.567 1.00 0.00 C ATOM 1384 C GLU A 85 -2.458 -5.559 -5.017 1.00 0.00 C ATOM 1385 O GLU A 85 -2.929 -5.811 -3.924 1.00 0.00 O ATOM 1386 CB GLU A 85 -1.762 -7.618 -6.257 1.00 0.00 C ATOM 1387 CG GLU A 85 -0.901 -7.904 -7.490 1.00 0.00 C ATOM 1388 CD GLU A 85 -1.623 -8.904 -8.395 1.00 0.00 C ATOM 1389 OE1 GLU A 85 -2.773 -8.657 -8.719 1.00 0.00 O ATOM 1390 OE2 GLU A 85 -1.013 -9.900 -8.750 1.00 0.00 O ATOM 0 H GLU A 85 -0.661 -7.484 -3.861 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.731 -5.723 -6.286 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.716 -8.460 -5.566 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -2.806 -7.502 -6.549 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.707 -6.979 -8.034 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.066 -8.304 -7.186 1.00 0.00 H new ATOM 1397 N PHE A 86 -2.951 -4.611 -5.774 1.00 0.00 N ATOM 1398 CA PHE A 86 -4.118 -3.806 -5.311 1.00 0.00 C ATOM 1399 C PHE A 86 -5.233 -3.884 -6.355 1.00 0.00 C ATOM 1400 O PHE A 86 -5.137 -3.308 -7.423 1.00 0.00 O ATOM 1401 CB PHE A 86 -3.696 -2.343 -5.121 1.00 0.00 C ATOM 1402 CG PHE A 86 -2.560 -2.256 -4.122 1.00 0.00 C ATOM 1403 CD1 PHE A 86 -2.632 -2.951 -2.908 1.00 0.00 C ATOM 1404 CD2 PHE A 86 -1.435 -1.473 -4.412 1.00 0.00 C ATOM 1405 CE1 PHE A 86 -1.583 -2.865 -1.986 1.00 0.00 C ATOM 1406 CE2 PHE A 86 -0.385 -1.388 -3.491 1.00 0.00 C ATOM 1407 CZ PHE A 86 -0.458 -2.084 -2.279 1.00 0.00 C ATOM 0 H PHE A 86 -2.593 -4.361 -6.696 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.477 -4.202 -4.361 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -3.385 -1.919 -6.076 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.544 -1.754 -4.772 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.499 -3.554 -2.683 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -1.378 -0.935 -5.347 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.641 -3.400 -1.050 1.00 0.00 H new ATOM 0 HE2 PHE A 86 0.482 -0.785 -3.716 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.354 -2.019 -1.569 1.00 0.00 H new ATOM 1417 N GLU A 87 -6.290 -4.594 -6.053 1.00 0.00 N ATOM 1418 CA GLU A 87 -7.416 -4.720 -7.024 1.00 0.00 C ATOM 1419 C GLU A 87 -8.525 -3.733 -6.657 1.00 0.00 C ATOM 1420 O GLU A 87 -8.380 -2.933 -5.753 1.00 0.00 O ATOM 1421 CB GLU A 87 -7.962 -6.149 -6.983 1.00 0.00 C ATOM 1422 CG GLU A 87 -7.305 -6.989 -8.091 1.00 0.00 C ATOM 1423 CD GLU A 87 -6.644 -8.229 -7.483 1.00 0.00 C ATOM 1424 OE1 GLU A 87 -5.633 -8.073 -6.820 1.00 0.00 O ATOM 1425 OE2 GLU A 87 -7.163 -9.314 -7.690 1.00 0.00 O ATOM 0 H GLU A 87 -6.421 -5.093 -5.173 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.057 -4.497 -8.029 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -7.764 -6.596 -6.009 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.044 -6.139 -7.115 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.054 -7.288 -8.825 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.562 -6.392 -8.619 1.00 0.00 H new ATOM 1432 N ASN A 88 -9.629 -3.784 -7.358 1.00 0.00 N ATOM 1433 CA ASN A 88 -10.755 -2.848 -7.061 1.00 0.00 C ATOM 1434 C ASN A 88 -12.045 -3.387 -7.687 1.00 0.00 C ATOM 1435 O ASN A 88 -12.081 -4.489 -8.200 1.00 0.00 O ATOM 1436 CB ASN A 88 -10.438 -1.459 -7.636 1.00 0.00 C ATOM 1437 CG ASN A 88 -9.972 -1.589 -9.089 1.00 0.00 C ATOM 1438 OD1 ASN A 88 -10.711 -2.044 -9.938 1.00 0.00 O ATOM 1439 ND2 ASN A 88 -8.767 -1.205 -9.410 1.00 0.00 N ATOM 0 H ASN A 88 -9.799 -4.435 -8.125 1.00 0.00 H new ATOM 0 HA ASN A 88 -10.885 -2.766 -5.982 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -11.323 -0.824 -7.584 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -9.664 -0.977 -7.039 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -8.446 -1.287 -10.375 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -8.146 -0.823 -8.696 1.00 0.00 H new ATOM 1446 N GLU A 89 -13.108 -2.619 -7.642 1.00 0.00 N ATOM 1447 CA GLU A 89 -14.407 -3.076 -8.226 1.00 0.00 C ATOM 1448 C GLU A 89 -14.902 -4.311 -7.468 1.00 0.00 C ATOM 1449 O GLU A 89 -14.589 -5.435 -7.819 1.00 0.00 O ATOM 1450 CB GLU A 89 -14.228 -3.424 -9.707 1.00 0.00 C ATOM 1451 CG GLU A 89 -15.560 -3.245 -10.438 1.00 0.00 C ATOM 1452 CD GLU A 89 -15.343 -3.386 -11.946 1.00 0.00 C ATOM 1453 OE1 GLU A 89 -14.937 -4.457 -12.369 1.00 0.00 O ATOM 1454 OE2 GLU A 89 -15.587 -2.422 -12.653 1.00 0.00 O ATOM 0 H GLU A 89 -13.130 -1.689 -7.223 1.00 0.00 H new ATOM 0 HA GLU A 89 -15.138 -2.272 -8.136 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -13.467 -2.783 -10.153 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -13.879 -4.452 -9.811 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -16.278 -3.989 -10.093 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -15.982 -2.266 -10.211 1.00 0.00 H new ATOM 1461 N ARG A 90 -15.676 -4.105 -6.435 1.00 0.00 N ATOM 1462 CA ARG A 90 -16.206 -5.255 -5.643 1.00 0.00 C ATOM 1463 C ARG A 90 -17.387 -4.774 -4.792 1.00 0.00 C ATOM 1464 O ARG A 90 -17.524 -3.597 -4.518 1.00 0.00 O ATOM 1465 CB ARG A 90 -15.095 -5.799 -4.734 1.00 0.00 C ATOM 1466 CG ARG A 90 -14.621 -7.161 -5.249 1.00 0.00 C ATOM 1467 CD ARG A 90 -13.701 -7.808 -4.211 1.00 0.00 C ATOM 1468 NE ARG A 90 -12.717 -8.689 -4.899 1.00 0.00 N ATOM 1469 CZ ARG A 90 -13.021 -9.933 -5.153 1.00 0.00 C ATOM 1470 NH1 ARG A 90 -13.790 -10.223 -6.166 1.00 0.00 N ATOM 1471 NH2 ARG A 90 -12.555 -10.886 -4.395 1.00 0.00 N ATOM 0 H ARG A 90 -15.966 -3.185 -6.104 1.00 0.00 H new ATOM 0 HA ARG A 90 -16.541 -6.047 -6.313 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -14.259 -5.099 -4.708 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -15.463 -5.895 -3.712 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -15.478 -7.806 -5.443 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -14.092 -7.040 -6.194 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -13.180 -7.038 -3.641 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -14.289 -8.388 -3.500 1.00 0.00 H new ATOM 0 HE ARG A 90 -11.806 -8.321 -5.172 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -14.154 -9.478 -6.760 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -14.027 -11.195 -6.364 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -11.953 -10.660 -3.603 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -12.793 -11.858 -4.594 1.00 0.00 H new ATOM 1485 N HIS A 91 -18.239 -5.678 -4.378 1.00 0.00 N ATOM 1486 CA HIS A 91 -19.414 -5.280 -3.546 1.00 0.00 C ATOM 1487 C HIS A 91 -18.988 -5.125 -2.081 1.00 0.00 C ATOM 1488 O HIS A 91 -19.590 -4.382 -1.329 1.00 0.00 O ATOM 1489 CB HIS A 91 -20.512 -6.348 -3.662 1.00 0.00 C ATOM 1490 CG HIS A 91 -19.994 -7.681 -3.185 1.00 0.00 C ATOM 1491 ND1 HIS A 91 -20.217 -8.139 -1.896 1.00 0.00 N ATOM 1492 CD2 HIS A 91 -19.271 -8.666 -3.812 1.00 0.00 C ATOM 1493 CE1 HIS A 91 -19.639 -9.349 -1.789 1.00 0.00 C ATOM 1494 NE2 HIS A 91 -19.048 -9.718 -2.928 1.00 0.00 N ATOM 0 H HIS A 91 -18.171 -6.675 -4.581 1.00 0.00 H new ATOM 0 HA HIS A 91 -19.802 -4.326 -3.904 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -21.379 -6.054 -3.071 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -20.844 -6.428 -4.697 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -18.928 -8.630 -4.835 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -19.651 -9.949 -0.891 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -18.542 -10.584 -3.111 1.00 0.00 H new ATOM 1502 N ALA A 92 -17.959 -5.825 -1.673 1.00 0.00 N ATOM 1503 CA ALA A 92 -17.494 -5.724 -0.259 1.00 0.00 C ATOM 1504 C ALA A 92 -16.859 -4.351 -0.028 1.00 0.00 C ATOM 1505 O ALA A 92 -15.683 -4.207 -0.320 1.00 0.00 O ATOM 1506 CB ALA A 92 -16.461 -6.818 0.018 1.00 0.00 C ATOM 1507 OXT ALA A 92 -17.558 -3.467 0.437 1.00 0.00 O ATOM 0 H ALA A 92 -17.421 -6.462 -2.260 1.00 0.00 H new ATOM 0 HA ALA A 92 -18.343 -5.849 0.413 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -16.121 -6.744 1.051 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -16.914 -7.796 -0.146 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -15.611 -6.694 -0.653 1.00 0.00 H new TER 1513 ALA A 92