USER MOD reduce.3.24.130724 H: found=0, std=0, add=1001, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1001 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 56 ASN : amide:sc= 0.745 K(o=0.81,f=-1.7) USER MOD Set 1.2: A 106 GLN : amide:sc= 0.0671 K(o=0.81,f=-1.9) USER MOD Set 2.1: A 86 GLN : amide:sc= -0.0332 K(o=0.96,f=-0.52) USER MOD Set 2.2: A 88 LYS NZ :NH3+ 134:sc= 0.997 (180deg=0.0128) USER MOD Set 3.1: A 67 TYR OH : rot -25:sc= 0.137 USER MOD Set 3.2: A 80 LYS NZ :NH3+ -162:sc= 0.158 (180deg=0.0159) USER MOD Single : A 1 ALA N :NH3+ -109:sc= 0.221 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 45:sc= 0.0576 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0206) USER MOD Single : A 18 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0138) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -1.49 X(o=-1.5,f=-1.6) USER MOD Single : A 27 GLN : amide:sc= -0.563 X(o=-0.56,f=-0.54) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -160:sc= -0.123 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -118:sc= 0.522 USER MOD Single : A 42 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-2.2) USER MOD Single : A 44 TYR OH : rot 69:sc= 0 USER MOD Single : A 49 HIS : no HE2:sc= 0.161 K(o=0.16,f=-2.9!) USER MOD Single : A 55 ASN : amide:sc= -0.503 X(o=-0.5,f=-0.5) USER MOD Single : A 59 LYS NZ :NH3+ 155:sc= -0.0907 (180deg=-0.559) USER MOD Single : A 70 TYR OH : rot -30:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 179:sc= -0.337 (180deg=-0.346) USER MOD Single : A 75 ASN : amide:sc= -0.443 X(o=-0.44,f=-0.44) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.114 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0.28 K(o=0.28,f=-3!) USER MOD Single : A 92 THR OG1 : rot 161:sc= 1.23 USER MOD Single : A 98 TYR OH : rot -169:sc= 0.0357 USER MOD Single : A 100 ASN : amide:sc= -1.41 K(o=-1.4,f=-0.4) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot 180:sc= -0.243 USER MOD Single : A 111 MET CE :methyl -165:sc=-0.00297 (180deg=-0.351) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 HIS : no HD1:sc= -6.12! C(o=-6.1!,f=-9.8!) USER MOD Single : A 114 SER OG : rot -47:sc= -0.535 USER MOD Single : A 115 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.786) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 ASN : amide:sc= -0.512 X(o=-0.51,f=-0.51) USER MOD Single : A 120 ASN : amide:sc= -0.111 K(o=-0.11,f=-0.61) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -14.021 11.754 4.207 1.00 0.00 N ATOM 2 CA ALA A 1 -14.389 11.376 2.822 1.00 0.00 C ATOM 3 C ALA A 1 -13.504 10.215 2.363 1.00 0.00 C ATOM 4 O ALA A 1 -12.543 9.938 3.066 1.00 0.00 O ATOM 5 CB ALA A 1 -14.285 12.581 1.871 1.00 0.00 C ATOM 0 H1 ALA A 1 -14.779 11.467 4.858 1.00 0.00 H new ATOM 0 H2 ALA A 1 -13.136 11.277 4.474 1.00 0.00 H new ATOM 0 H3 ALA A 1 -13.889 12.784 4.262 1.00 0.00 H new ATOM 0 HA ALA A 1 -15.429 11.051 2.803 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -14.561 12.273 0.862 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -14.959 13.369 2.207 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -13.261 12.956 1.869 1.00 0.00 H new ATOM 13 N PRO A 2 -13.789 9.564 1.218 1.00 0.00 N ATOM 14 CA PRO A 2 -12.955 8.500 0.646 1.00 0.00 C ATOM 15 C PRO A 2 -11.598 8.985 0.088 1.00 0.00 C ATOM 16 O PRO A 2 -10.819 8.198 -0.432 1.00 0.00 O ATOM 17 CB PRO A 2 -13.816 7.877 -0.466 1.00 0.00 C ATOM 18 CG PRO A 2 -14.712 9.017 -0.918 1.00 0.00 C ATOM 19 CD PRO A 2 -14.945 9.805 0.364 1.00 0.00 C ATOM 0 HA PRO A 2 -12.675 7.790 1.424 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -13.201 7.503 -1.285 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -14.399 7.034 -0.095 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -14.233 9.627 -1.684 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -15.647 8.651 -1.341 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -15.054 10.868 0.151 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -15.863 9.483 0.855 1.00 0.00 H new ATOM 27 N ILE A 3 -11.311 10.277 0.169 1.00 0.00 N ATOM 28 CA ILE A 3 -10.054 10.895 -0.241 1.00 0.00 C ATOM 29 C ILE A 3 -9.255 11.266 1.010 1.00 0.00 C ATOM 30 O ILE A 3 -9.627 12.167 1.762 1.00 0.00 O ATOM 31 CB ILE A 3 -10.336 12.093 -1.169 1.00 0.00 C ATOM 32 CG1 ILE A 3 -9.007 12.672 -1.707 1.00 0.00 C ATOM 33 CG2 ILE A 3 -11.179 13.187 -0.482 1.00 0.00 C ATOM 34 CD1 ILE A 3 -8.495 11.937 -2.949 1.00 0.00 C ATOM 0 H ILE A 3 -11.977 10.955 0.539 1.00 0.00 H new ATOM 0 HA ILE A 3 -9.446 10.200 -0.820 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.930 11.726 -2.006 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -9.147 13.726 -1.947 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.251 12.621 -0.924 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -11.348 14.007 -1.179 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -12.137 12.768 -0.174 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -10.648 13.559 0.394 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.560 12.389 -3.280 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.325 10.888 -2.707 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -9.235 12.010 -3.746 1.00 0.00 H new ATOM 46 N VAL A 4 -8.179 10.533 1.232 1.00 0.00 N ATOM 47 CA VAL A 4 -7.216 10.784 2.297 1.00 0.00 C ATOM 48 C VAL A 4 -5.882 11.288 1.749 1.00 0.00 C ATOM 49 O VAL A 4 -5.738 11.497 0.535 1.00 0.00 O ATOM 50 CB VAL A 4 -7.103 9.534 3.183 1.00 0.00 C ATOM 51 CG1 VAL A 4 -8.322 9.457 4.110 1.00 0.00 C ATOM 52 CG2 VAL A 4 -6.935 8.198 2.439 1.00 0.00 C ATOM 0 H VAL A 4 -7.941 9.722 0.661 1.00 0.00 H new ATOM 0 HA VAL A 4 -7.570 11.596 2.932 1.00 0.00 H new ATOM 0 HB VAL A 4 -6.175 9.662 3.740 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -8.245 8.571 4.740 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -8.358 10.347 4.738 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.231 9.398 3.512 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -6.866 7.385 3.162 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -7.794 8.033 1.789 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -6.026 8.228 1.838 1.00 0.00 H new ATOM 62 N THR A 5 -4.912 11.537 2.630 1.00 0.00 N ATOM 63 CA THR A 5 -3.565 11.941 2.238 1.00 0.00 C ATOM 64 C THR A 5 -2.494 11.500 3.218 1.00 0.00 C ATOM 65 O THR A 5 -2.436 12.022 4.327 1.00 0.00 O ATOM 66 CB THR A 5 -3.401 13.452 2.018 1.00 0.00 C ATOM 67 OG1 THR A 5 -3.902 14.275 3.047 1.00 0.00 O ATOM 68 CG2 THR A 5 -4.027 13.895 0.702 1.00 0.00 C ATOM 0 H THR A 5 -5.041 11.463 3.639 1.00 0.00 H new ATOM 0 HA THR A 5 -3.429 11.427 1.286 1.00 0.00 H new ATOM 0 HB THR A 5 -2.319 13.587 2.007 1.00 0.00 H new ATOM 0 HG1 THR A 5 -3.633 13.912 3.917 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.893 14.970 0.579 1.00 0.00 H new ATOM 0 HG22 THR A 5 -3.546 13.372 -0.124 1.00 0.00 H new ATOM 0 HG23 THR A 5 -5.092 13.661 0.708 1.00 0.00 H new ATOM 76 N CYS A 6 -1.567 10.637 2.778 1.00 0.00 N ATOM 77 CA CYS A 6 -0.515 10.124 3.664 1.00 0.00 C ATOM 78 C CYS A 6 0.304 11.276 4.269 1.00 0.00 C ATOM 79 O CYS A 6 0.291 12.385 3.733 1.00 0.00 O ATOM 80 CB CYS A 6 0.399 9.131 2.923 1.00 0.00 C ATOM 81 SG CYS A 6 -0.361 7.679 2.152 1.00 0.00 S ATOM 0 H CYS A 6 -1.525 10.283 1.822 1.00 0.00 H new ATOM 0 HA CYS A 6 -0.999 9.588 4.481 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.928 9.682 2.146 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.149 8.778 3.630 1.00 0.00 H new ATOM 86 N ARG A 7 1.129 10.986 5.283 1.00 0.00 N ATOM 87 CA ARG A 7 2.066 11.944 5.901 1.00 0.00 C ATOM 88 C ARG A 7 3.563 11.682 5.594 1.00 0.00 C ATOM 89 O ARG A 7 4.408 11.796 6.473 1.00 0.00 O ATOM 90 CB ARG A 7 1.738 12.037 7.402 1.00 0.00 C ATOM 91 CG ARG A 7 0.510 12.927 7.662 1.00 0.00 C ATOM 92 CD ARG A 7 0.572 13.524 9.076 1.00 0.00 C ATOM 93 NE ARG A 7 -0.052 12.656 10.082 1.00 0.00 N ATOM 94 CZ ARG A 7 -1.344 12.612 10.348 1.00 0.00 C ATOM 95 NH1 ARG A 7 -2.202 13.361 9.723 1.00 0.00 N ATOM 96 NH2 ARG A 7 -1.822 11.809 11.250 1.00 0.00 N ATOM 0 H ARG A 7 1.168 10.060 5.709 1.00 0.00 H new ATOM 0 HA ARG A 7 1.915 12.920 5.439 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.553 11.038 7.797 1.00 0.00 H new ATOM 0 HB3 ARG A 7 2.598 12.438 7.938 1.00 0.00 H new ATOM 0 HG2 ARG A 7 0.470 13.728 6.924 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -0.402 12.342 7.547 1.00 0.00 H new ATOM 0 HD2 ARG A 7 1.613 13.699 9.347 1.00 0.00 H new ATOM 0 HD3 ARG A 7 0.075 14.494 9.079 1.00 0.00 H new ATOM 0 HE ARG A 7 0.560 12.039 10.617 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.884 14.008 9.002 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -3.194 13.302 9.953 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -1.195 11.195 11.770 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -2.824 11.792 11.438 1.00 0.00 H new ATOM 110 N PRO A 8 3.946 11.360 4.343 1.00 0.00 N ATOM 111 CA PRO A 8 5.320 11.098 3.966 1.00 0.00 C ATOM 112 C PRO A 8 6.197 12.328 4.094 1.00 0.00 C ATOM 113 O PRO A 8 5.788 13.449 3.790 1.00 0.00 O ATOM 114 CB PRO A 8 5.289 10.603 2.523 1.00 0.00 C ATOM 115 CG PRO A 8 4.070 11.300 1.967 1.00 0.00 C ATOM 116 CD PRO A 8 3.134 11.296 3.158 1.00 0.00 C ATOM 0 HA PRO A 8 5.754 10.355 4.635 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.195 10.875 1.981 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.197 9.518 2.468 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.297 12.311 1.630 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.648 10.767 1.115 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.452 12.145 3.113 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.521 10.395 3.161 1.00 0.00 H new ATOM 124 N LYS A 9 7.461 12.110 4.439 1.00 0.00 N ATOM 125 CA LYS A 9 8.467 13.167 4.474 1.00 0.00 C ATOM 126 C LYS A 9 9.084 13.345 3.093 1.00 0.00 C ATOM 127 O LYS A 9 9.569 12.371 2.499 1.00 0.00 O ATOM 128 CB LYS A 9 9.509 12.809 5.531 1.00 0.00 C ATOM 129 CG LYS A 9 10.648 13.838 5.629 1.00 0.00 C ATOM 130 CD LYS A 9 11.922 13.156 6.132 1.00 0.00 C ATOM 131 CE LYS A 9 12.813 14.185 6.829 1.00 0.00 C ATOM 132 NZ LYS A 9 14.126 13.608 7.195 1.00 0.00 N ATOM 0 H LYS A 9 7.819 11.192 4.703 1.00 0.00 H new ATOM 0 HA LYS A 9 8.015 14.121 4.744 1.00 0.00 H new ATOM 0 HB2 LYS A 9 9.019 12.725 6.501 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.930 11.831 5.300 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.827 14.289 4.653 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.365 14.644 6.306 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.668 12.352 6.823 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.457 12.702 5.298 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.962 15.043 6.173 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.313 14.552 7.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.705 14.333 7.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.985 12.805 7.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 14.613 13.280 6.336 1.00 0.00 H new ATOM 146 N LEU A 10 9.108 14.606 2.651 1.00 0.00 N ATOM 147 CA LEU A 10 9.789 15.047 1.438 1.00 0.00 C ATOM 148 C LEU A 10 11.150 15.663 1.785 1.00 0.00 C ATOM 149 O LEU A 10 12.134 14.946 1.916 1.00 0.00 O ATOM 150 CB LEU A 10 8.849 15.946 0.604 1.00 0.00 C ATOM 151 CG LEU A 10 9.105 15.916 -0.918 1.00 0.00 C ATOM 152 CD1 LEU A 10 10.569 15.911 -1.361 1.00 0.00 C ATOM 153 CD2 LEU A 10 8.356 14.725 -1.515 1.00 0.00 C ATOM 0 H LEU A 10 8.640 15.367 3.144 1.00 0.00 H new ATOM 0 HA LEU A 10 10.022 14.199 0.794 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.819 15.642 0.791 1.00 0.00 H new ATOM 0 HB3 LEU A 10 8.947 16.974 0.954 1.00 0.00 H new ATOM 0 HG LEU A 10 8.730 16.866 -1.299 1.00 0.00 H new ATOM 0 HD11 LEU A 10 10.620 15.889 -2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 10 11.064 16.810 -0.993 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.068 15.030 -0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 10 8.527 14.690 -2.591 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.717 13.803 -1.060 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.289 14.832 -1.320 1.00 0.00 H new ATOM 165 N ASP A 11 11.146 16.969 2.061 1.00 0.00 N ATOM 166 CA ASP A 11 12.318 17.820 2.310 1.00 0.00 C ATOM 167 C ASP A 11 12.336 18.291 3.778 1.00 0.00 C ATOM 168 O ASP A 11 12.479 19.461 4.124 1.00 0.00 O ATOM 169 CB ASP A 11 12.324 18.993 1.314 1.00 0.00 C ATOM 170 CG ASP A 11 13.752 19.462 1.015 1.00 0.00 C ATOM 171 OD1 ASP A 11 14.612 19.306 1.911 1.00 0.00 O ATOM 172 OD2 ASP A 11 13.948 19.968 -0.109 1.00 0.00 O ATOM 0 H ASP A 11 10.274 17.495 2.121 1.00 0.00 H new ATOM 0 HA ASP A 11 13.233 17.248 2.152 1.00 0.00 H new ATOM 0 HB2 ASP A 11 11.837 18.689 0.387 1.00 0.00 H new ATOM 0 HB3 ASP A 11 11.744 19.822 1.721 1.00 0.00 H new ATOM 177 N GLY A 12 11.967 17.385 4.685 1.00 0.00 N ATOM 178 CA GLY A 12 11.886 17.672 6.123 1.00 0.00 C ATOM 179 C GLY A 12 10.470 17.897 6.640 1.00 0.00 C ATOM 180 O GLY A 12 10.207 17.604 7.801 1.00 0.00 O ATOM 0 H GLY A 12 11.714 16.427 4.444 1.00 0.00 H new ATOM 0 HA2 GLY A 12 12.333 16.844 6.672 1.00 0.00 H new ATOM 0 HA3 GLY A 12 12.484 18.557 6.339 1.00 0.00 H new ATOM 184 N ARG A 13 9.546 18.360 5.789 1.00 0.00 N ATOM 185 CA ARG A 13 8.123 18.526 6.124 1.00 0.00 C ATOM 186 C ARG A 13 7.290 17.384 5.557 1.00 0.00 C ATOM 187 O ARG A 13 7.501 16.947 4.424 1.00 0.00 O ATOM 188 CB ARG A 13 7.625 19.891 5.620 1.00 0.00 C ATOM 189 CG ARG A 13 8.071 21.043 6.538 1.00 0.00 C ATOM 190 CD ARG A 13 7.189 21.170 7.789 1.00 0.00 C ATOM 191 NE ARG A 13 5.829 21.654 7.469 1.00 0.00 N ATOM 192 CZ ARG A 13 4.849 21.842 8.336 1.00 0.00 C ATOM 193 NH1 ARG A 13 5.013 21.607 9.605 1.00 0.00 N ATOM 194 NH2 ARG A 13 3.682 22.264 7.937 1.00 0.00 N ATOM 0 H ARG A 13 9.768 18.635 4.832 1.00 0.00 H new ATOM 0 HA ARG A 13 8.010 18.497 7.208 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.001 20.064 4.612 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.537 19.879 5.556 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.106 20.883 6.841 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.044 21.979 5.981 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.121 20.201 8.283 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.659 21.855 8.495 1.00 0.00 H new ATOM 0 HE ARG A 13 5.629 21.862 6.491 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.912 21.270 9.949 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.242 21.759 10.256 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.519 22.452 6.948 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.932 22.406 8.614 1.00 0.00 H new ATOM 208 N GLU A 14 6.319 16.947 6.348 1.00 0.00 N ATOM 209 CA GLU A 14 5.373 15.890 5.990 1.00 0.00 C ATOM 210 C GLU A 14 4.377 16.446 4.972 1.00 0.00 C ATOM 211 O GLU A 14 3.577 17.334 5.289 1.00 0.00 O ATOM 212 CB GLU A 14 4.653 15.342 7.229 1.00 0.00 C ATOM 213 CG GLU A 14 5.636 14.858 8.306 1.00 0.00 C ATOM 214 CD GLU A 14 4.916 14.649 9.640 1.00 0.00 C ATOM 215 OE1 GLU A 14 3.839 14.021 9.645 1.00 0.00 O ATOM 216 OE2 GLU A 14 5.407 15.226 10.633 1.00 0.00 O ATOM 0 H GLU A 14 6.161 17.326 7.282 1.00 0.00 H new ATOM 0 HA GLU A 14 5.916 15.055 5.547 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.012 16.118 7.647 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.004 14.517 6.935 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.101 13.925 7.988 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.436 15.588 8.429 1.00 0.00 H new ATOM 223 N LYS A 15 4.488 16.018 3.712 1.00 0.00 N ATOM 224 CA LYS A 15 3.582 16.454 2.647 1.00 0.00 C ATOM 225 C LYS A 15 2.437 15.466 2.436 1.00 0.00 C ATOM 226 O LYS A 15 2.689 14.273 2.375 1.00 0.00 O ATOM 227 CB LYS A 15 4.348 16.642 1.332 1.00 0.00 C ATOM 228 CG LYS A 15 5.171 17.935 1.318 1.00 0.00 C ATOM 229 CD LYS A 15 4.274 19.186 1.261 1.00 0.00 C ATOM 230 CE LYS A 15 5.108 20.466 1.197 1.00 0.00 C ATOM 231 NZ LYS A 15 5.760 20.635 -0.127 1.00 0.00 N ATOM 0 H LYS A 15 5.205 15.362 3.402 1.00 0.00 H new ATOM 0 HA LYS A 15 3.155 17.407 2.958 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.010 15.791 1.175 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.642 16.654 0.501 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.796 17.977 2.210 1.00 0.00 H new ATOM 0 HG3 LYS A 15 5.841 17.929 0.459 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.623 19.130 0.389 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.629 19.214 2.139 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.470 21.326 1.400 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.869 20.443 1.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 6.260 21.546 -0.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.439 19.862 -0.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.038 20.615 -0.875 1.00 0.00 H new ATOM 245 N PRO A 16 1.208 15.964 2.204 1.00 0.00 N ATOM 246 CA PRO A 16 0.026 15.137 1.996 1.00 0.00 C ATOM 247 C PRO A 16 0.135 14.320 0.709 1.00 0.00 C ATOM 248 O PRO A 16 0.160 14.883 -0.390 1.00 0.00 O ATOM 249 CB PRO A 16 -1.157 16.103 1.960 1.00 0.00 C ATOM 250 CG PRO A 16 -0.547 17.423 1.509 1.00 0.00 C ATOM 251 CD PRO A 16 0.860 17.372 2.090 1.00 0.00 C ATOM 0 HA PRO A 16 -0.093 14.403 2.793 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.928 15.763 1.268 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.626 16.195 2.940 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.531 17.509 0.423 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.109 18.277 1.888 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.566 17.895 1.445 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.896 17.861 3.064 1.00 0.00 H new ATOM 259 N PHE A 17 0.195 12.992 0.807 1.00 0.00 N ATOM 260 CA PHE A 17 0.248 12.162 -0.393 1.00 0.00 C ATOM 261 C PHE A 17 -1.157 11.821 -0.873 1.00 0.00 C ATOM 262 O PHE A 17 -1.823 11.038 -0.218 1.00 0.00 O ATOM 263 CB PHE A 17 1.038 10.880 -0.132 1.00 0.00 C ATOM 264 CG PHE A 17 1.878 10.394 -1.290 1.00 0.00 C ATOM 265 CD1 PHE A 17 1.566 10.762 -2.611 1.00 0.00 C ATOM 266 CD2 PHE A 17 2.959 9.525 -1.048 1.00 0.00 C ATOM 267 CE1 PHE A 17 2.393 10.358 -3.660 1.00 0.00 C ATOM 268 CE2 PHE A 17 3.777 9.098 -2.102 1.00 0.00 C ATOM 269 CZ PHE A 17 3.511 9.552 -3.399 1.00 0.00 C ATOM 0 H PHE A 17 0.208 12.477 1.687 1.00 0.00 H new ATOM 0 HA PHE A 17 0.756 12.730 -1.172 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.690 11.043 0.726 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.338 10.091 0.145 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.687 11.357 -2.813 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.159 9.185 -0.043 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.173 10.666 -4.672 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.603 8.427 -1.916 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.173 9.279 -4.207 1.00 0.00 H new ATOM 279 N LYS A 18 -1.608 12.370 -2.004 1.00 0.00 N ATOM 280 CA LYS A 18 -2.921 12.082 -2.616 1.00 0.00 C ATOM 281 C LYS A 18 -3.219 10.589 -2.665 1.00 0.00 C ATOM 282 O LYS A 18 -2.533 9.884 -3.396 1.00 0.00 O ATOM 283 CB LYS A 18 -2.978 12.647 -4.041 1.00 0.00 C ATOM 284 CG LYS A 18 -2.823 14.173 -4.091 1.00 0.00 C ATOM 285 CD LYS A 18 -4.102 14.895 -3.634 1.00 0.00 C ATOM 286 CE LYS A 18 -5.191 14.837 -4.715 1.00 0.00 C ATOM 287 NZ LYS A 18 -4.913 15.791 -5.821 1.00 0.00 N ATOM 0 H LYS A 18 -1.061 13.045 -2.538 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.674 12.560 -1.989 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.191 12.188 -4.639 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.928 12.369 -4.498 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.990 14.474 -3.456 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.577 14.480 -5.107 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.472 14.438 -2.717 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.872 15.935 -3.402 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.255 13.825 -5.114 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -6.159 15.066 -4.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.716 15.800 -6.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.775 16.745 -5.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.053 15.496 -6.326 1.00 0.00 H new ATOM 301 N VAL A 19 -4.226 10.134 -1.927 1.00 0.00 N ATOM 302 CA VAL A 19 -4.633 8.728 -1.878 1.00 0.00 C ATOM 303 C VAL A 19 -6.144 8.629 -1.684 1.00 0.00 C ATOM 304 O VAL A 19 -6.760 9.334 -0.896 1.00 0.00 O ATOM 305 CB VAL A 19 -3.892 7.958 -0.766 1.00 0.00 C ATOM 306 CG1 VAL A 19 -2.416 7.740 -1.100 1.00 0.00 C ATOM 307 CG2 VAL A 19 -3.971 8.630 0.597 1.00 0.00 C ATOM 0 H VAL A 19 -4.794 10.740 -1.335 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.363 8.266 -2.828 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.411 7.001 -0.714 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.936 7.194 -0.288 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.333 7.166 -2.023 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.926 8.705 -1.228 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.428 8.033 1.329 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.527 9.624 0.539 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -5.014 8.715 0.901 1.00 0.00 H new ATOM 317 N ASP A 20 -6.777 7.736 -2.413 1.00 0.00 N ATOM 318 CA ASP A 20 -8.205 7.480 -2.372 1.00 0.00 C ATOM 319 C ASP A 20 -8.459 6.028 -1.974 1.00 0.00 C ATOM 320 O ASP A 20 -7.901 5.085 -2.540 1.00 0.00 O ATOM 321 CB ASP A 20 -8.877 7.855 -3.708 1.00 0.00 C ATOM 322 CG ASP A 20 -8.021 7.691 -4.983 1.00 0.00 C ATOM 323 OD1 ASP A 20 -7.015 6.947 -4.964 1.00 0.00 O ATOM 324 OD2 ASP A 20 -8.342 8.391 -5.968 1.00 0.00 O ATOM 0 H ASP A 20 -6.290 7.140 -3.082 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.662 8.116 -1.613 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.775 7.247 -3.820 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.201 8.894 -3.647 1.00 0.00 H new ATOM 329 N VAL A 21 -9.352 5.845 -0.998 1.00 0.00 N ATOM 330 CA VAL A 21 -9.769 4.505 -0.574 1.00 0.00 C ATOM 331 C VAL A 21 -10.331 3.704 -1.736 1.00 0.00 C ATOM 332 O VAL A 21 -10.114 2.503 -1.793 1.00 0.00 O ATOM 333 CB VAL A 21 -10.793 4.537 0.569 1.00 0.00 C ATOM 334 CG1 VAL A 21 -12.128 5.187 0.212 1.00 0.00 C ATOM 335 CG2 VAL A 21 -11.157 3.136 1.037 1.00 0.00 C ATOM 0 H VAL A 21 -9.800 6.606 -0.487 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.868 4.017 -0.203 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.285 5.125 1.333 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.787 5.164 1.080 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.960 6.221 -0.089 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.591 4.640 -0.610 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -11.884 3.200 1.847 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -11.587 2.575 0.207 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.261 2.627 1.393 1.00 0.00 H new ATOM 345 N ALA A 22 -11.056 4.363 -2.650 1.00 0.00 N ATOM 346 CA ALA A 22 -11.681 3.726 -3.797 1.00 0.00 C ATOM 347 C ALA A 22 -10.635 2.968 -4.598 1.00 0.00 C ATOM 348 O ALA A 22 -10.756 1.757 -4.765 1.00 0.00 O ATOM 349 CB ALA A 22 -12.402 4.775 -4.651 1.00 0.00 C ATOM 0 H ALA A 22 -11.222 5.368 -2.605 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.427 3.007 -3.457 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.867 4.289 -5.508 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.169 5.267 -4.052 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.683 5.516 -5.000 1.00 0.00 H new ATOM 355 N THR A 23 -9.584 3.659 -5.026 1.00 0.00 N ATOM 356 CA THR A 23 -8.491 3.061 -5.771 1.00 0.00 C ATOM 357 C THR A 23 -7.790 2.005 -4.934 1.00 0.00 C ATOM 358 O THR A 23 -7.732 0.854 -5.358 1.00 0.00 O ATOM 359 CB THR A 23 -7.526 4.147 -6.212 1.00 0.00 C ATOM 360 OG1 THR A 23 -8.194 4.985 -7.114 1.00 0.00 O ATOM 361 CG2 THR A 23 -6.364 3.586 -6.984 1.00 0.00 C ATOM 0 H THR A 23 -9.469 4.659 -4.862 1.00 0.00 H new ATOM 0 HA THR A 23 -8.886 2.566 -6.658 1.00 0.00 H new ATOM 0 HB THR A 23 -7.174 4.655 -5.314 1.00 0.00 H new ATOM 0 HG1 THR A 23 -7.588 5.696 -7.410 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.698 4.397 -7.280 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.819 2.879 -6.358 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.731 3.075 -7.874 1.00 0.00 H new ATOM 369 N ALA A 24 -7.277 2.354 -3.752 1.00 0.00 N ATOM 370 CA ALA A 24 -6.560 1.409 -2.899 1.00 0.00 C ATOM 371 C ALA A 24 -7.343 0.095 -2.700 1.00 0.00 C ATOM 372 O ALA A 24 -6.835 -0.988 -2.992 1.00 0.00 O ATOM 373 CB ALA A 24 -6.243 2.088 -1.567 1.00 0.00 C ATOM 0 H ALA A 24 -7.347 3.294 -3.363 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.628 1.127 -3.390 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.708 1.391 -0.922 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.624 2.967 -1.745 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.172 2.390 -1.083 1.00 0.00 H new ATOM 379 N GLN A 25 -8.600 0.183 -2.262 1.00 0.00 N ATOM 380 CA GLN A 25 -9.513 -0.952 -2.095 1.00 0.00 C ATOM 381 C GLN A 25 -9.686 -1.719 -3.405 1.00 0.00 C ATOM 382 O GLN A 25 -9.650 -2.955 -3.396 1.00 0.00 O ATOM 383 CB GLN A 25 -10.888 -0.455 -1.616 1.00 0.00 C ATOM 384 CG GLN A 25 -11.974 -1.550 -1.550 1.00 0.00 C ATOM 385 CD GLN A 25 -11.964 -2.340 -0.255 1.00 0.00 C ATOM 386 OE1 GLN A 25 -11.510 -3.470 -0.167 1.00 0.00 O ATOM 387 NE2 GLN A 25 -12.499 -1.767 0.798 1.00 0.00 N ATOM 0 H GLN A 25 -9.025 1.074 -2.005 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.080 -1.622 -1.352 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.776 -0.011 -0.627 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.228 0.337 -2.284 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -12.953 -1.087 -1.675 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.837 -2.237 -2.385 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.879 -0.823 0.727 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -12.535 -2.266 1.687 1.00 0.00 H new ATOM 396 N ALA A 26 -9.903 -1.004 -4.519 1.00 0.00 N ATOM 397 CA ALA A 26 -10.062 -1.606 -5.836 1.00 0.00 C ATOM 398 C ALA A 26 -8.914 -2.567 -6.091 1.00 0.00 C ATOM 399 O ALA A 26 -9.165 -3.733 -6.371 1.00 0.00 O ATOM 400 CB ALA A 26 -10.150 -0.564 -6.964 1.00 0.00 C ATOM 0 H ALA A 26 -9.972 0.014 -4.523 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.010 -2.143 -5.839 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.268 -1.073 -7.921 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.007 0.087 -6.792 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.238 0.033 -6.980 1.00 0.00 H new ATOM 406 N GLN A 27 -7.680 -2.114 -5.895 1.00 0.00 N ATOM 407 CA GLN A 27 -6.502 -2.933 -6.105 1.00 0.00 C ATOM 408 C GLN A 27 -6.427 -4.112 -5.145 1.00 0.00 C ATOM 409 O GLN A 27 -6.135 -5.215 -5.589 1.00 0.00 O ATOM 410 CB GLN A 27 -5.249 -2.097 -5.952 1.00 0.00 C ATOM 411 CG GLN A 27 -5.209 -0.850 -6.812 1.00 0.00 C ATOM 412 CD GLN A 27 -5.123 -1.166 -8.296 1.00 0.00 C ATOM 413 OE1 GLN A 27 -6.085 -1.526 -8.951 1.00 0.00 O ATOM 414 NE2 GLN A 27 -3.946 -1.080 -8.871 1.00 0.00 N ATOM 0 H GLN A 27 -7.473 -1.165 -5.585 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.576 -3.329 -7.118 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.150 -1.804 -4.907 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.385 -2.716 -6.193 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.101 -0.254 -6.622 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -4.352 -0.242 -6.524 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -3.135 -0.779 -8.330 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.843 -1.314 -9.858 1.00 0.00 H new ATOM 423 N ALA A 28 -6.740 -3.891 -3.867 1.00 0.00 N ATOM 424 CA ALA A 28 -6.760 -4.923 -2.834 1.00 0.00 C ATOM 425 C ALA A 28 -7.630 -6.116 -3.241 1.00 0.00 C ATOM 426 O ALA A 28 -7.170 -7.257 -3.320 1.00 0.00 O ATOM 427 CB ALA A 28 -7.280 -4.305 -1.530 1.00 0.00 C ATOM 0 H ALA A 28 -6.992 -2.967 -3.515 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.746 -5.298 -2.694 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.300 -5.066 -0.750 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.623 -3.490 -1.226 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.287 -3.919 -1.687 1.00 0.00 H new ATOM 433 N ARG A 29 -8.910 -5.840 -3.518 1.00 0.00 N ATOM 434 CA ARG A 29 -9.873 -6.848 -3.962 1.00 0.00 C ATOM 435 C ARG A 29 -9.513 -7.409 -5.334 1.00 0.00 C ATOM 436 O ARG A 29 -9.630 -8.612 -5.541 1.00 0.00 O ATOM 437 CB ARG A 29 -11.276 -6.235 -3.959 1.00 0.00 C ATOM 438 CG ARG A 29 -12.306 -7.233 -4.512 1.00 0.00 C ATOM 439 CD ARG A 29 -13.714 -6.654 -4.476 1.00 0.00 C ATOM 440 NE ARG A 29 -14.223 -6.538 -3.099 1.00 0.00 N ATOM 441 CZ ARG A 29 -15.491 -6.458 -2.753 1.00 0.00 C ATOM 442 NH1 ARG A 29 -16.437 -6.476 -3.652 1.00 0.00 N ATOM 443 NH2 ARG A 29 -15.836 -6.364 -1.502 1.00 0.00 N ATOM 0 H ARG A 29 -9.307 -4.904 -3.439 1.00 0.00 H new ATOM 0 HA ARG A 29 -9.847 -7.689 -3.269 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.550 -5.947 -2.944 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -11.283 -5.327 -4.561 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -12.045 -7.497 -5.537 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -12.274 -8.153 -3.928 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -13.715 -5.671 -4.948 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -14.383 -7.288 -5.058 1.00 0.00 H new ATOM 0 HE ARG A 29 -13.533 -6.518 -2.348 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -16.199 -6.553 -4.641 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -17.414 -6.413 -3.366 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -15.120 -6.352 -0.775 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -16.822 -6.303 -1.248 1.00 0.00 H new ATOM 457 N LYS A 30 -9.131 -6.539 -6.278 1.00 0.00 N ATOM 458 CA LYS A 30 -8.747 -6.907 -7.652 1.00 0.00 C ATOM 459 C LYS A 30 -7.600 -7.912 -7.656 1.00 0.00 C ATOM 460 O LYS A 30 -7.623 -8.855 -8.439 1.00 0.00 O ATOM 461 CB LYS A 30 -8.348 -5.652 -8.454 1.00 0.00 C ATOM 462 CG LYS A 30 -8.059 -5.941 -9.930 1.00 0.00 C ATOM 463 CD LYS A 30 -9.332 -5.920 -10.779 1.00 0.00 C ATOM 464 CE LYS A 30 -9.642 -4.486 -11.236 1.00 0.00 C ATOM 465 NZ LYS A 30 -10.380 -4.482 -12.521 1.00 0.00 N ATOM 0 H LYS A 30 -9.078 -5.535 -6.106 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.612 -7.373 -8.124 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.149 -4.916 -8.385 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.464 -5.205 -7.999 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.356 -5.202 -10.313 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.579 -6.915 -10.021 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.209 -6.568 -11.647 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.169 -6.315 -10.203 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.232 -3.978 -10.473 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.713 -3.927 -11.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.576 -3.501 -12.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.805 -4.947 -13.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.277 -4.995 -12.408 1.00 0.00 H new ATOM 479 N ALA A 31 -6.573 -7.658 -6.851 1.00 0.00 N ATOM 480 CA ALA A 31 -5.441 -8.554 -6.674 1.00 0.00 C ATOM 481 C ALA A 31 -5.850 -9.833 -5.931 1.00 0.00 C ATOM 482 O ALA A 31 -5.414 -10.920 -6.306 1.00 0.00 O ATOM 483 CB ALA A 31 -4.327 -7.808 -5.937 1.00 0.00 C ATOM 0 H ALA A 31 -6.505 -6.806 -6.294 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.074 -8.867 -7.652 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.474 -8.472 -5.800 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.021 -6.940 -6.522 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.691 -7.479 -4.964 1.00 0.00 H new ATOM 489 N GLY A 32 -6.686 -9.715 -4.898 1.00 0.00 N ATOM 490 CA GLY A 32 -7.108 -10.855 -4.094 1.00 0.00 C ATOM 491 C GLY A 32 -6.045 -11.263 -3.079 1.00 0.00 C ATOM 492 O GLY A 32 -5.109 -10.518 -2.788 1.00 0.00 O ATOM 0 H GLY A 32 -7.087 -8.826 -4.598 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.032 -10.608 -3.572 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.327 -11.699 -4.748 1.00 0.00 H new ATOM 496 N LEU A 33 -6.205 -12.463 -2.526 1.00 0.00 N ATOM 497 CA LEU A 33 -5.339 -13.045 -1.497 1.00 0.00 C ATOM 498 C LEU A 33 -4.539 -14.228 -2.066 1.00 0.00 C ATOM 499 O LEU A 33 -4.298 -15.215 -1.375 1.00 0.00 O ATOM 500 CB LEU A 33 -6.178 -13.493 -0.291 1.00 0.00 C ATOM 501 CG LEU A 33 -7.304 -12.547 0.148 1.00 0.00 C ATOM 502 CD1 LEU A 33 -8.294 -13.358 0.943 1.00 0.00 C ATOM 503 CD2 LEU A 33 -6.816 -11.431 1.060 1.00 0.00 C ATOM 0 H LEU A 33 -6.971 -13.083 -2.791 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.632 -12.284 -1.168 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.618 -14.463 -0.523 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.507 -13.641 0.555 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.728 -12.097 -0.750 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.110 -12.715 1.272 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.692 -14.159 0.320 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.797 -13.787 1.813 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.656 -10.794 1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.375 -11.862 1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.067 -10.836 0.538 1.00 0.00 H new ATOM 515 N THR A 34 -4.180 -14.153 -3.346 1.00 0.00 N ATOM 516 CA THR A 34 -3.464 -15.221 -4.040 1.00 0.00 C ATOM 517 C THR A 34 -2.565 -14.624 -5.108 1.00 0.00 C ATOM 518 O THR A 34 -3.028 -14.031 -6.084 1.00 0.00 O ATOM 519 CB THR A 34 -4.421 -16.245 -4.667 1.00 0.00 C ATOM 520 OG1 THR A 34 -5.296 -16.772 -3.699 1.00 0.00 O ATOM 521 CG2 THR A 34 -3.643 -17.419 -5.277 1.00 0.00 C ATOM 0 H THR A 34 -4.379 -13.344 -3.934 1.00 0.00 H new ATOM 0 HA THR A 34 -2.861 -15.750 -3.303 1.00 0.00 H new ATOM 0 HB THR A 34 -4.984 -15.722 -5.440 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.898 -17.421 -4.120 1.00 0.00 H new ATOM 0 HG21 THR A 34 -4.343 -18.131 -5.715 1.00 0.00 H new ATOM 0 HG22 THR A 34 -2.971 -17.047 -6.051 1.00 0.00 H new ATOM 0 HG23 THR A 34 -3.062 -17.914 -4.499 1.00 0.00 H new ATOM 529 N THR A 35 -1.261 -14.793 -4.923 1.00 0.00 N ATOM 530 CA THR A 35 -0.218 -14.375 -5.860 1.00 0.00 C ATOM 531 C THR A 35 0.572 -15.569 -6.379 1.00 0.00 C ATOM 532 O THR A 35 0.478 -16.671 -5.839 1.00 0.00 O ATOM 533 CB THR A 35 0.694 -13.361 -5.181 1.00 0.00 C ATOM 534 OG1 THR A 35 1.592 -12.838 -6.125 1.00 0.00 O ATOM 535 CG2 THR A 35 1.483 -13.950 -4.002 1.00 0.00 C ATOM 0 H THR A 35 -0.885 -15.241 -4.087 1.00 0.00 H new ATOM 0 HA THR A 35 -0.687 -13.906 -6.725 1.00 0.00 H new ATOM 0 HB THR A 35 0.053 -12.579 -4.776 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.362 -12.446 -5.662 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.113 -13.176 -3.563 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.788 -14.323 -3.249 1.00 0.00 H new ATOM 0 HG23 THR A 35 2.109 -14.769 -4.356 1.00 0.00 H new ATOM 543 N GLY A 36 1.345 -15.336 -7.437 1.00 0.00 N ATOM 544 CA GLY A 36 2.249 -16.322 -8.036 1.00 0.00 C ATOM 545 C GLY A 36 2.535 -16.093 -9.520 1.00 0.00 C ATOM 546 O GLY A 36 3.501 -16.624 -10.048 1.00 0.00 O ATOM 0 H GLY A 36 1.363 -14.435 -7.915 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.192 -16.311 -7.490 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.819 -17.316 -7.910 1.00 0.00 H new ATOM 550 N LYS A 37 1.711 -15.266 -10.173 1.00 0.00 N ATOM 551 CA LYS A 37 1.842 -14.840 -11.573 1.00 0.00 C ATOM 552 C LYS A 37 3.170 -14.129 -11.835 1.00 0.00 C ATOM 553 O LYS A 37 3.927 -14.512 -12.718 1.00 0.00 O ATOM 554 CB LYS A 37 0.650 -13.963 -12.004 1.00 0.00 C ATOM 555 CG LYS A 37 0.040 -13.061 -10.916 1.00 0.00 C ATOM 556 CD LYS A 37 -1.109 -13.757 -10.167 1.00 0.00 C ATOM 557 CE LYS A 37 -2.440 -13.477 -10.870 1.00 0.00 C ATOM 558 NZ LYS A 37 -3.570 -13.599 -9.916 1.00 0.00 N ATOM 0 H LYS A 37 0.895 -14.855 -9.719 1.00 0.00 H new ATOM 0 HA LYS A 37 1.835 -15.744 -12.183 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.972 -13.331 -12.832 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.134 -14.616 -12.387 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.815 -12.775 -10.205 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.329 -12.142 -11.372 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.929 -14.831 -10.126 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.151 -13.402 -9.137 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.427 -12.476 -11.300 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.576 -14.176 -11.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.464 -13.406 -10.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.592 -14.562 -9.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.447 -12.914 -9.143 1.00 0.00 H new ATOM 572 N SER A 38 3.438 -13.073 -11.067 1.00 0.00 N ATOM 573 CA SER A 38 4.652 -12.261 -11.189 1.00 0.00 C ATOM 574 C SER A 38 5.329 -12.011 -9.848 1.00 0.00 C ATOM 575 O SER A 38 6.510 -12.303 -9.682 1.00 0.00 O ATOM 576 CB SER A 38 4.307 -10.937 -11.857 1.00 0.00 C ATOM 577 OG SER A 38 3.351 -10.248 -11.062 1.00 0.00 O ATOM 0 H SER A 38 2.809 -12.752 -10.331 1.00 0.00 H new ATOM 0 HA SER A 38 5.362 -12.819 -11.800 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.205 -10.330 -11.975 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.908 -11.113 -12.856 1.00 0.00 H new ATOM 0 HG SER A 38 2.523 -10.133 -11.573 1.00 0.00 H new ATOM 583 N GLY A 39 4.590 -11.448 -8.897 1.00 0.00 N ATOM 584 CA GLY A 39 5.083 -11.124 -7.567 1.00 0.00 C ATOM 585 C GLY A 39 4.022 -10.516 -6.667 1.00 0.00 C ATOM 586 O GLY A 39 4.098 -10.684 -5.454 1.00 0.00 O ATOM 0 H GLY A 39 3.610 -11.200 -9.035 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.471 -12.029 -7.100 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.917 -10.428 -7.655 1.00 0.00 H new ATOM 590 N ASP A 40 3.054 -9.801 -7.244 1.00 0.00 N ATOM 591 CA ASP A 40 1.938 -9.206 -6.519 1.00 0.00 C ATOM 592 C ASP A 40 0.596 -9.955 -6.715 1.00 0.00 C ATOM 593 O ASP A 40 0.397 -10.652 -7.716 1.00 0.00 O ATOM 594 CB ASP A 40 1.836 -7.708 -6.801 1.00 0.00 C ATOM 595 CG ASP A 40 2.071 -7.338 -8.251 1.00 0.00 C ATOM 596 OD1 ASP A 40 1.101 -7.440 -9.018 1.00 0.00 O ATOM 597 OD2 ASP A 40 3.225 -6.916 -8.516 1.00 0.00 O ATOM 0 H ASP A 40 3.027 -9.618 -8.247 1.00 0.00 H new ATOM 0 HA ASP A 40 2.158 -9.323 -5.458 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.847 -7.359 -6.503 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.561 -7.181 -6.180 1.00 0.00 H new ATOM 602 N PRO A 41 -0.325 -9.844 -5.732 1.00 0.00 N ATOM 603 CA PRO A 41 -0.141 -9.183 -4.428 1.00 0.00 C ATOM 604 C PRO A 41 0.892 -9.864 -3.533 1.00 0.00 C ATOM 605 O PRO A 41 1.461 -10.875 -3.910 1.00 0.00 O ATOM 606 CB PRO A 41 -1.525 -9.179 -3.793 1.00 0.00 C ATOM 607 CG PRO A 41 -2.182 -10.434 -4.374 1.00 0.00 C ATOM 608 CD PRO A 41 -1.624 -10.498 -5.791 1.00 0.00 C ATOM 0 HA PRO A 41 0.261 -8.179 -4.561 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.469 -9.221 -2.705 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.082 -8.278 -4.049 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.926 -11.325 -3.800 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.269 -10.356 -4.373 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.528 -11.530 -6.128 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.285 -9.993 -6.495 1.00 0.00 H new ATOM 616 N HIS A 42 1.188 -9.314 -2.359 1.00 0.00 N ATOM 617 CA HIS A 42 2.182 -9.901 -1.446 1.00 0.00 C ATOM 618 C HIS A 42 1.523 -10.195 -0.106 1.00 0.00 C ATOM 619 O HIS A 42 0.692 -9.417 0.354 1.00 0.00 O ATOM 620 CB HIS A 42 3.410 -8.991 -1.285 1.00 0.00 C ATOM 621 CG HIS A 42 3.720 -8.121 -2.476 1.00 0.00 C ATOM 622 ND1 HIS A 42 3.184 -6.873 -2.709 1.00 0.00 N ATOM 623 CD2 HIS A 42 4.521 -8.453 -3.527 1.00 0.00 C ATOM 624 CE1 HIS A 42 3.666 -6.446 -3.893 1.00 0.00 C ATOM 625 NE2 HIS A 42 4.479 -7.392 -4.411 1.00 0.00 N ATOM 0 H HIS A 42 0.755 -8.459 -2.010 1.00 0.00 H new ATOM 0 HA HIS A 42 2.544 -10.836 -1.874 1.00 0.00 H new ATOM 0 HB2 HIS A 42 3.257 -8.350 -0.416 1.00 0.00 H new ATOM 0 HB3 HIS A 42 4.279 -9.614 -1.073 1.00 0.00 H new ATOM 0 HD2 HIS A 42 5.081 -9.369 -3.646 1.00 0.00 H new ATOM 0 HE1 HIS A 42 3.438 -5.497 -4.355 1.00 0.00 H new ATOM 0 HE2 HIS A 42 4.976 -7.333 -5.300 1.00 0.00 H new ATOM 634 N ARG A 43 1.865 -11.324 0.506 1.00 0.00 N ATOM 635 CA ARG A 43 1.360 -11.695 1.831 1.00 0.00 C ATOM 636 C ARG A 43 1.983 -10.797 2.887 1.00 0.00 C ATOM 637 O ARG A 43 3.197 -10.646 2.900 1.00 0.00 O ATOM 638 CB ARG A 43 1.728 -13.153 2.119 1.00 0.00 C ATOM 639 CG ARG A 43 0.674 -14.095 1.538 1.00 0.00 C ATOM 640 CD ARG A 43 -0.532 -14.283 2.477 1.00 0.00 C ATOM 641 NE ARG A 43 -0.139 -14.815 3.792 1.00 0.00 N ATOM 642 CZ ARG A 43 0.339 -16.019 4.035 1.00 0.00 C ATOM 643 NH1 ARG A 43 0.451 -16.913 3.093 1.00 0.00 N ATOM 644 NH2 ARG A 43 0.731 -16.344 5.229 1.00 0.00 N ATOM 0 H ARG A 43 2.501 -12.011 0.100 1.00 0.00 H new ATOM 0 HA ARG A 43 0.277 -11.577 1.854 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.704 -13.380 1.689 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.810 -13.308 3.195 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.328 -13.702 0.582 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.129 -15.065 1.338 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.038 -13.327 2.611 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.249 -14.961 2.013 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.247 -14.192 4.592 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.165 -16.688 2.140 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.824 -17.837 3.309 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.670 -15.665 5.988 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.100 -17.278 5.408 1.00 0.00 H new ATOM 658 N TYR A 44 1.159 -10.290 3.788 1.00 0.00 N ATOM 659 CA TYR A 44 1.582 -9.500 4.932 1.00 0.00 C ATOM 660 C TYR A 44 1.383 -10.362 6.178 1.00 0.00 C ATOM 661 O TYR A 44 0.261 -10.646 6.588 1.00 0.00 O ATOM 662 CB TYR A 44 0.798 -8.187 4.957 1.00 0.00 C ATOM 663 CG TYR A 44 1.263 -7.169 5.973 1.00 0.00 C ATOM 664 CD1 TYR A 44 1.312 -7.481 7.348 1.00 0.00 C ATOM 665 CD2 TYR A 44 1.658 -5.894 5.531 1.00 0.00 C ATOM 666 CE1 TYR A 44 1.809 -6.545 8.265 1.00 0.00 C ATOM 667 CE2 TYR A 44 2.127 -4.943 6.455 1.00 0.00 C ATOM 668 CZ TYR A 44 2.195 -5.267 7.825 1.00 0.00 C ATOM 669 OH TYR A 44 2.512 -4.325 8.746 1.00 0.00 O ATOM 0 H TYR A 44 0.148 -10.420 3.743 1.00 0.00 H new ATOM 0 HA TYR A 44 2.634 -9.219 4.882 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.849 -7.735 3.966 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.250 -8.414 5.150 1.00 0.00 H new ATOM 0 HD1 TYR A 44 0.966 -8.443 7.695 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.601 -5.645 4.482 1.00 0.00 H new ATOM 0 HE1 TYR A 44 1.895 -6.806 9.310 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.435 -3.965 6.115 1.00 0.00 H new ATOM 0 HH TYR A 44 3.351 -4.570 9.189 1.00 0.00 H new ATOM 679 N PHE A 45 2.476 -10.853 6.741 1.00 0.00 N ATOM 680 CA PHE A 45 2.480 -11.572 8.017 1.00 0.00 C ATOM 681 C PHE A 45 2.983 -10.659 9.137 1.00 0.00 C ATOM 682 O PHE A 45 2.256 -10.410 10.091 1.00 0.00 O ATOM 683 CB PHE A 45 3.286 -12.872 7.870 1.00 0.00 C ATOM 684 CG PHE A 45 4.621 -12.723 7.156 1.00 0.00 C ATOM 685 CD1 PHE A 45 4.671 -12.711 5.746 1.00 0.00 C ATOM 686 CD2 PHE A 45 5.803 -12.529 7.896 1.00 0.00 C ATOM 687 CE1 PHE A 45 5.892 -12.503 5.083 1.00 0.00 C ATOM 688 CE2 PHE A 45 7.022 -12.315 7.232 1.00 0.00 C ATOM 689 CZ PHE A 45 7.069 -12.307 5.826 1.00 0.00 C ATOM 0 H PHE A 45 3.402 -10.765 6.322 1.00 0.00 H new ATOM 0 HA PHE A 45 1.467 -11.860 8.297 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.466 -13.285 8.863 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.680 -13.598 7.328 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.767 -12.862 5.174 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.772 -12.545 8.975 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.926 -12.494 4.004 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.925 -12.156 7.802 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.009 -12.150 5.318 1.00 0.00 H new ATOM 699 N ALA A 46 4.197 -10.128 8.992 1.00 0.00 N ATOM 700 CA ALA A 46 4.878 -9.274 9.952 1.00 0.00 C ATOM 701 C ALA A 46 6.164 -8.705 9.328 1.00 0.00 C ATOM 702 O ALA A 46 6.598 -9.141 8.263 1.00 0.00 O ATOM 703 CB ALA A 46 5.217 -10.099 11.206 1.00 0.00 C ATOM 0 H ALA A 46 4.757 -10.294 8.156 1.00 0.00 H new ATOM 0 HA ALA A 46 4.229 -8.443 10.229 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.728 -9.466 11.931 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.298 -10.486 11.646 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.865 -10.931 10.930 1.00 0.00 H new ATOM 709 N GLY A 47 6.797 -7.768 10.035 1.00 0.00 N ATOM 710 CA GLY A 47 8.054 -7.120 9.646 1.00 0.00 C ATOM 711 C GLY A 47 7.980 -5.606 9.819 1.00 0.00 C ATOM 712 O GLY A 47 8.851 -5.004 10.447 1.00 0.00 O ATOM 0 H GLY A 47 6.437 -7.426 10.926 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.871 -7.517 10.249 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.281 -7.358 8.607 1.00 0.00 H new ATOM 716 N ASP A 48 6.887 -5.005 9.357 1.00 0.00 N ATOM 717 CA ASP A 48 6.699 -3.565 9.392 1.00 0.00 C ATOM 718 C ASP A 48 5.990 -3.180 10.691 1.00 0.00 C ATOM 719 O ASP A 48 4.894 -3.651 10.997 1.00 0.00 O ATOM 720 CB ASP A 48 5.928 -3.081 8.159 1.00 0.00 C ATOM 721 CG ASP A 48 6.375 -3.746 6.859 1.00 0.00 C ATOM 722 OD1 ASP A 48 7.603 -3.747 6.613 1.00 0.00 O ATOM 723 OD2 ASP A 48 5.478 -4.223 6.134 1.00 0.00 O ATOM 0 H ASP A 48 6.103 -5.511 8.945 1.00 0.00 H new ATOM 0 HA ASP A 48 7.671 -3.073 9.368 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.865 -3.271 8.308 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.049 -2.002 8.066 1.00 0.00 H new ATOM 728 N HIS A 49 6.621 -2.344 11.520 1.00 0.00 N ATOM 729 CA HIS A 49 6.028 -1.883 12.783 1.00 0.00 C ATOM 730 C HIS A 49 4.854 -0.904 12.566 1.00 0.00 C ATOM 731 O HIS A 49 4.939 0.268 12.947 1.00 0.00 O ATOM 732 CB HIS A 49 7.127 -1.310 13.697 1.00 0.00 C ATOM 733 CG HIS A 49 6.662 -1.145 15.128 1.00 0.00 C ATOM 734 ND1 HIS A 49 5.556 -0.421 15.523 1.00 0.00 N ATOM 735 CD2 HIS A 49 7.218 -1.707 16.242 1.00 0.00 C ATOM 736 CE1 HIS A 49 5.428 -0.543 16.859 1.00 0.00 C ATOM 737 NE2 HIS A 49 6.441 -1.311 17.321 1.00 0.00 N ATOM 0 H HIS A 49 7.552 -1.968 11.338 1.00 0.00 H new ATOM 0 HA HIS A 49 5.585 -2.742 13.287 1.00 0.00 H new ATOM 0 HB2 HIS A 49 7.995 -1.969 13.674 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.450 -0.344 13.310 1.00 0.00 H new ATOM 0 HD1 HIS A 49 4.941 0.114 14.910 1.00 0.00 H new ATOM 0 HD2 HIS A 49 8.094 -2.338 16.276 1.00 0.00 H new ATOM 0 HE1 HIS A 49 4.647 -0.101 17.460 1.00 0.00 H new ATOM 746 N ILE A 50 3.713 -1.381 12.078 1.00 0.00 N ATOM 747 CA ILE A 50 2.533 -0.551 11.782 1.00 0.00 C ATOM 748 C ILE A 50 1.443 -0.791 12.820 1.00 0.00 C ATOM 749 O ILE A 50 1.494 -1.748 13.585 1.00 0.00 O ATOM 750 CB ILE A 50 2.013 -0.770 10.340 1.00 0.00 C ATOM 751 CG1 ILE A 50 3.186 -0.976 9.370 1.00 0.00 C ATOM 752 CG2 ILE A 50 1.112 0.422 9.938 1.00 0.00 C ATOM 753 CD1 ILE A 50 2.805 -0.893 7.892 1.00 0.00 C ATOM 0 H ILE A 50 3.572 -2.370 11.871 1.00 0.00 H new ATOM 0 HA ILE A 50 2.836 0.494 11.842 1.00 0.00 H new ATOM 0 HB ILE A 50 1.410 -1.677 10.293 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.950 -0.227 9.578 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.634 -1.951 9.563 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.743 0.273 8.923 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.268 0.488 10.625 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.689 1.346 9.982 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.692 -1.050 7.278 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.065 -1.660 7.663 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.386 0.090 7.679 1.00 0.00 H new ATOM 765 N ARG A 51 0.453 0.100 12.895 1.00 0.00 N ATOM 766 CA ARG A 51 -0.697 0.000 13.758 1.00 0.00 C ATOM 767 C ARG A 51 -1.868 0.612 13.013 1.00 0.00 C ATOM 768 O ARG A 51 -1.902 1.785 12.657 1.00 0.00 O ATOM 769 CB ARG A 51 -0.379 0.656 15.105 1.00 0.00 C ATOM 770 CG ARG A 51 -0.757 2.134 15.209 1.00 0.00 C ATOM 771 CD ARG A 51 0.014 3.063 14.246 1.00 0.00 C ATOM 772 NE ARG A 51 1.343 3.466 14.721 1.00 0.00 N ATOM 773 CZ ARG A 51 2.083 4.423 14.179 1.00 0.00 C ATOM 774 NH1 ARG A 51 1.673 5.098 13.138 1.00 0.00 N ATOM 775 NH2 ARG A 51 3.252 4.707 14.668 1.00 0.00 N ATOM 0 H ARG A 51 0.443 0.945 12.324 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.964 -1.029 13.998 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.898 0.107 15.891 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.689 0.555 15.298 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.825 2.237 15.016 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.585 2.469 16.232 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.123 2.559 13.285 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.582 3.959 14.071 1.00 0.00 H new ATOM 0 HE ARG A 51 1.726 2.973 15.528 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.764 4.893 12.723 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.262 5.830 12.740 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.606 4.192 15.474 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.816 5.445 14.246 1.00 0.00 H new ATOM 789 N TRP A 52 -2.841 -0.195 12.742 1.00 0.00 N ATOM 790 CA TRP A 52 -4.091 0.284 12.151 1.00 0.00 C ATOM 791 C TRP A 52 -5.132 0.610 13.225 1.00 0.00 C ATOM 792 O TRP A 52 -6.190 1.127 12.898 1.00 0.00 O ATOM 793 CB TRP A 52 -4.567 -0.749 11.157 1.00 0.00 C ATOM 794 CG TRP A 52 -3.475 -1.266 10.268 1.00 0.00 C ATOM 795 CD1 TRP A 52 -2.600 -2.256 10.568 1.00 0.00 C ATOM 796 CD2 TRP A 52 -3.077 -0.768 8.962 1.00 0.00 C ATOM 797 NE1 TRP A 52 -1.710 -2.418 9.526 1.00 0.00 N ATOM 798 CE2 TRP A 52 -1.959 -1.528 8.510 1.00 0.00 C ATOM 799 CE3 TRP A 52 -3.537 0.266 8.127 1.00 0.00 C ATOM 800 CZ2 TRP A 52 -1.349 -1.301 7.274 1.00 0.00 C ATOM 801 CZ3 TRP A 52 -2.920 0.517 6.898 1.00 0.00 C ATOM 802 CH2 TRP A 52 -1.862 -0.288 6.445 1.00 0.00 C ATOM 0 H TRP A 52 -2.813 -1.200 12.914 1.00 0.00 H new ATOM 0 HA TRP A 52 -3.925 1.224 11.624 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -5.012 -1.585 11.697 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -5.353 -0.314 10.540 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -2.599 -2.830 11.483 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -0.962 -3.111 9.512 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -4.375 0.872 8.438 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -0.501 -1.892 6.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -3.261 1.341 6.289 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -1.443 -0.129 5.462 1.00 0.00 H new ATOM 813 N GLY A 53 -4.817 0.345 14.502 1.00 0.00 N ATOM 814 CA GLY A 53 -5.773 0.463 15.609 1.00 0.00 C ATOM 815 C GLY A 53 -6.958 -0.501 15.503 1.00 0.00 C ATOM 816 O GLY A 53 -8.017 -0.240 16.064 1.00 0.00 O ATOM 0 H GLY A 53 -3.888 0.042 14.795 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.251 0.282 16.549 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -6.149 1.485 15.645 1.00 0.00 H new ATOM 820 N VAL A 54 -6.794 -1.604 14.768 1.00 0.00 N ATOM 821 CA VAL A 54 -7.837 -2.605 14.541 1.00 0.00 C ATOM 822 C VAL A 54 -7.399 -3.882 15.219 1.00 0.00 C ATOM 823 O VAL A 54 -6.410 -4.452 14.786 1.00 0.00 O ATOM 824 CB VAL A 54 -8.061 -2.871 13.039 1.00 0.00 C ATOM 825 CG1 VAL A 54 -9.129 -3.955 12.827 1.00 0.00 C ATOM 826 CG2 VAL A 54 -8.489 -1.614 12.293 1.00 0.00 C ATOM 0 H VAL A 54 -5.914 -1.830 14.305 1.00 0.00 H new ATOM 0 HA VAL A 54 -8.779 -2.238 14.948 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.104 -3.208 12.640 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -9.269 -4.124 11.759 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.806 -4.881 13.302 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -10.071 -3.629 13.269 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.635 -1.849 11.239 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -9.422 -1.241 12.715 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.716 -0.852 12.391 1.00 0.00 H new ATOM 836 N ASN A 55 -8.168 -4.377 16.190 1.00 0.00 N ATOM 837 CA ASN A 55 -7.907 -5.626 16.928 1.00 0.00 C ATOM 838 C ASN A 55 -7.458 -6.789 16.015 1.00 0.00 C ATOM 839 O ASN A 55 -6.617 -7.605 16.378 1.00 0.00 O ATOM 840 CB ASN A 55 -9.186 -6.051 17.684 1.00 0.00 C ATOM 841 CG ASN A 55 -9.978 -4.897 18.267 1.00 0.00 C ATOM 842 OD1 ASN A 55 -9.635 -4.308 19.267 1.00 0.00 O ATOM 843 ND2 ASN A 55 -11.061 -4.516 17.627 1.00 0.00 N ATOM 0 H ASN A 55 -9.020 -3.908 16.499 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.089 -5.419 17.618 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.828 -6.610 17.003 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.909 -6.730 18.490 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -11.608 -3.728 17.974 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -11.355 -5.009 16.784 1.00 0.00 H new ATOM 850 N ASN A 56 -8.057 -6.872 14.820 1.00 0.00 N ATOM 851 CA ASN A 56 -7.687 -7.830 13.777 1.00 0.00 C ATOM 852 C ASN A 56 -6.273 -7.583 13.213 1.00 0.00 C ATOM 853 O ASN A 56 -5.449 -8.490 13.173 1.00 0.00 O ATOM 854 CB ASN A 56 -8.741 -7.791 12.649 1.00 0.00 C ATOM 855 CG ASN A 56 -8.773 -9.077 11.838 1.00 0.00 C ATOM 856 OD1 ASN A 56 -8.091 -10.047 12.107 1.00 0.00 O ATOM 857 ND2 ASN A 56 -9.593 -9.136 10.818 1.00 0.00 N ATOM 0 H ASN A 56 -8.828 -6.261 14.548 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.665 -8.821 14.230 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -9.725 -7.614 13.082 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -8.528 -6.952 11.986 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.653 -9.988 10.261 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -10.171 -8.330 10.581 1.00 0.00 H new ATOM 864 N CYS A 57 -5.984 -6.350 12.789 1.00 0.00 N ATOM 865 CA CYS A 57 -4.663 -5.917 12.328 1.00 0.00 C ATOM 866 C CYS A 57 -3.691 -5.545 13.474 1.00 0.00 C ATOM 867 O CYS A 57 -2.788 -4.733 13.257 1.00 0.00 O ATOM 868 CB CYS A 57 -4.844 -4.747 11.363 1.00 0.00 C ATOM 869 SG CYS A 57 -5.876 -5.079 9.916 1.00 0.00 S ATOM 0 H CYS A 57 -6.681 -5.606 12.756 1.00 0.00 H new ATOM 0 HA CYS A 57 -4.196 -6.763 11.824 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -5.277 -3.911 11.912 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.860 -4.427 11.019 1.00 0.00 H new ATOM 874 N ASP A 58 -3.895 -6.100 14.676 1.00 0.00 N ATOM 875 CA ASP A 58 -3.082 -5.892 15.886 1.00 0.00 C ATOM 876 C ASP A 58 -2.521 -7.222 16.425 1.00 0.00 C ATOM 877 O ASP A 58 -2.347 -7.440 17.625 1.00 0.00 O ATOM 878 CB ASP A 58 -3.886 -5.133 16.958 1.00 0.00 C ATOM 879 CG ASP A 58 -2.982 -4.339 17.915 1.00 0.00 C ATOM 880 OD1 ASP A 58 -1.950 -3.805 17.437 1.00 0.00 O ATOM 881 OD2 ASP A 58 -3.383 -4.190 19.089 1.00 0.00 O ATOM 0 H ASP A 58 -4.672 -6.740 14.841 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.225 -5.275 15.616 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.583 -4.451 16.471 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.483 -5.843 17.531 1.00 0.00 H new ATOM 886 N LYS A 59 -2.304 -8.183 15.523 1.00 0.00 N ATOM 887 CA LYS A 59 -1.711 -9.490 15.834 1.00 0.00 C ATOM 888 C LYS A 59 -0.326 -9.633 15.202 1.00 0.00 C ATOM 889 O LYS A 59 0.113 -8.772 14.450 1.00 0.00 O ATOM 890 CB LYS A 59 -2.659 -10.602 15.378 1.00 0.00 C ATOM 891 CG LYS A 59 -4.057 -10.502 16.002 1.00 0.00 C ATOM 892 CD LYS A 59 -4.703 -11.893 16.108 1.00 0.00 C ATOM 893 CE LYS A 59 -4.303 -12.610 17.406 1.00 0.00 C ATOM 894 NZ LYS A 59 -4.807 -11.883 18.601 1.00 0.00 N ATOM 0 H LYS A 59 -2.540 -8.074 14.537 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.574 -9.572 16.912 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.750 -10.570 14.292 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.223 -11.568 15.633 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.988 -10.051 16.992 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.685 -9.848 15.397 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.788 -11.794 16.067 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.405 -12.498 15.252 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.700 -13.625 17.401 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.217 -12.693 17.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.910 -12.548 19.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.134 -11.135 18.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.731 -11.457 18.384 1.00 0.00 H new ATOM 908 N ALA A 60 0.332 -10.752 15.504 1.00 0.00 N ATOM 909 CA ALA A 60 1.649 -11.112 14.974 1.00 0.00 C ATOM 910 C ALA A 60 1.577 -12.215 13.900 1.00 0.00 C ATOM 911 O ALA A 60 2.215 -12.107 12.863 1.00 0.00 O ATOM 912 CB ALA A 60 2.529 -11.537 16.154 1.00 0.00 C ATOM 0 H ALA A 60 -0.046 -11.453 16.141 1.00 0.00 H new ATOM 0 HA ALA A 60 2.079 -10.247 14.470 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.519 -11.812 15.789 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.618 -10.710 16.858 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.077 -12.393 16.655 1.00 0.00 H new ATOM 918 N ASP A 61 0.748 -13.240 14.120 1.00 0.00 N ATOM 919 CA ASP A 61 0.524 -14.370 13.199 1.00 0.00 C ATOM 920 C ASP A 61 -0.749 -14.161 12.352 1.00 0.00 C ATOM 921 O ASP A 61 -1.469 -15.096 12.002 1.00 0.00 O ATOM 922 CB ASP A 61 0.495 -15.685 13.998 1.00 0.00 C ATOM 923 CG ASP A 61 1.903 -16.147 14.368 1.00 0.00 C ATOM 924 OD1 ASP A 61 2.394 -15.655 15.408 1.00 0.00 O ATOM 925 OD2 ASP A 61 2.452 -16.983 13.617 1.00 0.00 O ATOM 0 H ASP A 61 0.193 -13.313 14.973 1.00 0.00 H new ATOM 0 HA ASP A 61 1.349 -14.426 12.489 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.094 -15.548 14.905 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.000 -16.458 13.410 1.00 0.00 H new ATOM 930 N ALA A 62 -1.089 -12.901 12.070 1.00 0.00 N ATOM 931 CA ALA A 62 -2.225 -12.587 11.215 1.00 0.00 C ATOM 932 C ALA A 62 -1.908 -12.798 9.726 1.00 0.00 C ATOM 933 O ALA A 62 -0.767 -12.748 9.268 1.00 0.00 O ATOM 934 CB ALA A 62 -2.703 -11.165 11.503 1.00 0.00 C ATOM 0 H ALA A 62 -0.590 -12.085 12.424 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.033 -13.281 11.447 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.553 -10.930 10.863 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.003 -11.087 12.548 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.894 -10.462 11.304 1.00 0.00 H new ATOM 940 N ILE A 63 -2.975 -12.998 8.948 1.00 0.00 N ATOM 941 CA ILE A 63 -2.907 -13.231 7.507 1.00 0.00 C ATOM 942 C ILE A 63 -3.388 -11.977 6.791 1.00 0.00 C ATOM 943 O ILE A 63 -4.544 -11.870 6.385 1.00 0.00 O ATOM 944 CB ILE A 63 -3.678 -14.499 7.078 1.00 0.00 C ATOM 945 CG1 ILE A 63 -3.275 -15.749 7.892 1.00 0.00 C ATOM 946 CG2 ILE A 63 -3.438 -14.727 5.566 1.00 0.00 C ATOM 947 CD1 ILE A 63 -4.004 -15.859 9.242 1.00 0.00 C ATOM 0 H ILE A 63 -3.928 -13.002 9.311 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.873 -13.426 7.222 1.00 0.00 H new ATOM 0 HB ILE A 63 -4.738 -14.342 7.278 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.483 -16.641 7.301 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.200 -15.727 8.069 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.975 -15.619 5.243 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.798 -13.864 5.006 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.372 -14.859 5.383 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.674 -16.759 9.761 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.776 -14.984 9.851 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.079 -15.912 9.072 1.00 0.00 H new ATOM 959 N LEU A 64 -2.507 -10.998 6.664 1.00 0.00 N ATOM 960 CA LEU A 64 -2.759 -9.799 5.883 1.00 0.00 C ATOM 961 C LEU A 64 -2.135 -9.931 4.487 1.00 0.00 C ATOM 962 O LEU A 64 -1.572 -10.962 4.106 1.00 0.00 O ATOM 963 CB LEU A 64 -2.282 -8.548 6.652 1.00 0.00 C ATOM 964 CG LEU A 64 -3.212 -8.027 7.750 1.00 0.00 C ATOM 965 CD1 LEU A 64 -3.228 -8.965 8.952 1.00 0.00 C ATOM 966 CD2 LEU A 64 -2.750 -6.639 8.199 1.00 0.00 C ATOM 0 H LEU A 64 -1.587 -11.014 7.105 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.831 -9.677 5.731 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.315 -8.772 7.102 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.121 -7.746 5.932 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.221 -7.972 7.341 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.898 -8.568 9.715 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.577 -9.950 8.640 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.221 -9.049 9.361 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.414 -6.270 8.981 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.733 -6.702 8.586 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.774 -5.955 7.350 1.00 0.00 H new ATOM 978 N TRP A 65 -2.255 -8.865 3.710 1.00 0.00 N ATOM 979 CA TRP A 65 -1.709 -8.702 2.375 1.00 0.00 C ATOM 980 C TRP A 65 -1.308 -7.261 2.106 1.00 0.00 C ATOM 981 O TRP A 65 -1.637 -6.366 2.872 1.00 0.00 O ATOM 982 CB TRP A 65 -2.783 -9.130 1.394 1.00 0.00 C ATOM 983 CG TRP A 65 -2.939 -10.600 1.268 1.00 0.00 C ATOM 984 CD1 TRP A 65 -3.661 -11.396 2.081 1.00 0.00 C ATOM 985 CD2 TRP A 65 -2.296 -11.470 0.305 1.00 0.00 C ATOM 986 NE1 TRP A 65 -3.485 -12.710 1.696 1.00 0.00 N ATOM 987 CE2 TRP A 65 -2.655 -12.808 0.600 1.00 0.00 C ATOM 988 CE3 TRP A 65 -1.424 -11.261 -0.773 1.00 0.00 C ATOM 989 CZ2 TRP A 65 -2.166 -13.882 -0.153 1.00 0.00 C ATOM 990 CZ3 TRP A 65 -0.927 -12.328 -1.541 1.00 0.00 C ATOM 991 CH2 TRP A 65 -1.326 -13.642 -1.252 1.00 0.00 C ATOM 0 H TRP A 65 -2.769 -8.039 4.017 1.00 0.00 H new ATOM 0 HA TRP A 65 -0.810 -9.309 2.270 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -3.735 -8.700 1.704 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -2.550 -8.715 0.413 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -4.278 -11.060 2.901 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -3.915 -13.508 2.164 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -1.126 -10.253 -1.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -2.435 -14.894 0.111 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -0.240 -12.137 -2.352 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -0.990 -14.462 -1.870 1.00 0.00 H new ATOM 1002 N GLU A 66 -0.612 -7.043 0.998 1.00 0.00 N ATOM 1003 CA GLU A 66 -0.164 -5.736 0.549 1.00 0.00 C ATOM 1004 C GLU A 66 -0.117 -5.667 -0.985 1.00 0.00 C ATOM 1005 O GLU A 66 0.358 -6.588 -1.671 1.00 0.00 O ATOM 1006 CB GLU A 66 1.181 -5.370 1.193 1.00 0.00 C ATOM 1007 CG GLU A 66 2.339 -6.268 0.767 1.00 0.00 C ATOM 1008 CD GLU A 66 3.699 -5.605 0.984 1.00 0.00 C ATOM 1009 OE1 GLU A 66 4.159 -4.889 0.047 1.00 0.00 O ATOM 1010 OE2 GLU A 66 4.295 -5.838 2.043 1.00 0.00 O ATOM 0 H GLU A 66 -0.336 -7.797 0.369 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.888 -4.990 0.876 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.424 -4.338 0.941 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.078 -5.418 2.277 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.298 -7.201 1.330 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.227 -6.526 -0.286 1.00 0.00 H new ATOM 1017 N TYR A 67 -0.546 -4.537 -1.546 1.00 0.00 N ATOM 1018 CA TYR A 67 -0.509 -4.332 -2.994 1.00 0.00 C ATOM 1019 C TYR A 67 -0.275 -2.861 -3.382 1.00 0.00 C ATOM 1020 O TYR A 67 -0.929 -1.985 -2.824 1.00 0.00 O ATOM 1021 CB TYR A 67 -1.804 -4.868 -3.607 1.00 0.00 C ATOM 1022 CG TYR A 67 -1.796 -4.821 -5.113 1.00 0.00 C ATOM 1023 CD1 TYR A 67 -1.273 -5.873 -5.872 1.00 0.00 C ATOM 1024 CD2 TYR A 67 -2.252 -3.676 -5.761 1.00 0.00 C ATOM 1025 CE1 TYR A 67 -1.246 -5.802 -7.277 1.00 0.00 C ATOM 1026 CE2 TYR A 67 -2.194 -3.576 -7.162 1.00 0.00 C ATOM 1027 CZ TYR A 67 -1.716 -4.647 -7.924 1.00 0.00 C ATOM 1028 OH TYR A 67 -1.802 -4.607 -9.271 1.00 0.00 O ATOM 0 H TYR A 67 -0.923 -3.749 -1.020 1.00 0.00 H new ATOM 0 HA TYR A 67 0.343 -4.883 -3.393 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -1.958 -5.896 -3.280 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.646 -4.286 -3.234 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.886 -6.750 -5.374 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.654 -2.858 -5.182 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.866 -6.631 -7.855 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.519 -2.670 -7.651 1.00 0.00 H new ATOM 0 HH TYR A 67 -1.164 -5.242 -9.659 1.00 0.00 H new ATOM 1038 N PRO A 68 0.653 -2.556 -4.308 1.00 0.00 N ATOM 1039 CA PRO A 68 0.978 -1.197 -4.759 1.00 0.00 C ATOM 1040 C PRO A 68 -0.158 -0.509 -5.506 1.00 0.00 C ATOM 1041 O PRO A 68 -1.143 -1.118 -5.899 1.00 0.00 O ATOM 1042 CB PRO A 68 2.190 -1.348 -5.685 1.00 0.00 C ATOM 1043 CG PRO A 68 2.023 -2.764 -6.222 1.00 0.00 C ATOM 1044 CD PRO A 68 1.414 -3.526 -5.067 1.00 0.00 C ATOM 0 HA PRO A 68 1.172 -0.566 -3.892 1.00 0.00 H new ATOM 0 HB2 PRO A 68 2.184 -0.608 -6.485 1.00 0.00 H new ATOM 0 HB3 PRO A 68 3.130 -1.227 -5.146 1.00 0.00 H new ATOM 0 HG2 PRO A 68 1.376 -2.784 -7.099 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.979 -3.192 -6.522 1.00 0.00 H new ATOM 0 HD2 PRO A 68 0.773 -4.331 -5.425 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.187 -3.984 -4.451 1.00 0.00 H new ATOM 1052 N ILE A 69 0.002 0.781 -5.766 1.00 0.00 N ATOM 1053 CA ILE A 69 -1.020 1.571 -6.436 1.00 0.00 C ATOM 1054 C ILE A 69 -0.480 2.945 -6.811 1.00 0.00 C ATOM 1055 O ILE A 69 0.312 3.564 -6.101 1.00 0.00 O ATOM 1056 CB ILE A 69 -2.299 1.683 -5.571 1.00 0.00 C ATOM 1057 CG1 ILE A 69 -3.340 2.600 -6.232 1.00 0.00 C ATOM 1058 CG2 ILE A 69 -2.036 2.128 -4.117 1.00 0.00 C ATOM 1059 CD1 ILE A 69 -3.773 2.180 -7.660 1.00 0.00 C ATOM 0 H ILE A 69 0.840 1.307 -5.519 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.295 1.057 -7.357 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.697 0.670 -5.513 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.225 2.637 -5.597 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.936 3.611 -6.274 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -2.981 2.182 -3.577 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.380 1.407 -3.629 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.561 3.109 -4.117 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.509 2.889 -8.040 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.903 2.173 -8.317 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.212 1.183 -7.629 1.00 0.00 H new ATOM 1071 N TYR A 70 -0.923 3.436 -7.957 1.00 0.00 N ATOM 1072 CA TYR A 70 -0.620 4.756 -8.457 1.00 0.00 C ATOM 1073 C TYR A 70 -1.627 5.753 -7.886 1.00 0.00 C ATOM 1074 O TYR A 70 -2.828 5.613 -8.081 1.00 0.00 O ATOM 1075 CB TYR A 70 -0.652 4.712 -9.984 1.00 0.00 C ATOM 1076 CG TYR A 70 0.425 3.819 -10.589 1.00 0.00 C ATOM 1077 CD1 TYR A 70 0.364 2.421 -10.440 1.00 0.00 C ATOM 1078 CD2 TYR A 70 1.496 4.375 -11.313 1.00 0.00 C ATOM 1079 CE1 TYR A 70 1.387 1.615 -10.967 1.00 0.00 C ATOM 1080 CE2 TYR A 70 2.543 3.571 -11.781 1.00 0.00 C ATOM 1081 CZ TYR A 70 2.478 2.179 -11.638 1.00 0.00 C ATOM 1082 OH TYR A 70 3.452 1.398 -12.166 1.00 0.00 O ATOM 0 H TYR A 70 -1.525 2.902 -8.583 1.00 0.00 H new ATOM 0 HA TYR A 70 0.373 5.080 -8.145 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -1.631 4.359 -10.309 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -0.534 5.724 -10.371 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.468 1.968 -9.921 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.511 5.437 -11.511 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.331 0.543 -10.852 1.00 0.00 H new ATOM 0 HE2 TYR A 70 3.402 4.025 -12.253 1.00 0.00 H new ATOM 0 HH TYR A 70 3.539 0.579 -11.635 1.00 0.00 H new ATOM 1092 N TRP A 71 -1.127 6.733 -7.138 1.00 0.00 N ATOM 1093 CA TRP A 71 -1.916 7.863 -6.640 1.00 0.00 C ATOM 1094 C TRP A 71 -2.479 8.715 -7.780 1.00 0.00 C ATOM 1095 O TRP A 71 -2.126 8.526 -8.937 1.00 0.00 O ATOM 1096 CB TRP A 71 -1.024 8.724 -5.737 1.00 0.00 C ATOM 1097 CG TRP A 71 0.371 8.943 -6.219 1.00 0.00 C ATOM 1098 CD1 TRP A 71 0.791 9.891 -7.083 1.00 0.00 C ATOM 1099 CD2 TRP A 71 1.542 8.167 -5.865 1.00 0.00 C ATOM 1100 NE1 TRP A 71 2.158 9.780 -7.252 1.00 0.00 N ATOM 1101 CE2 TRP A 71 2.673 8.726 -6.524 1.00 0.00 C ATOM 1102 CE3 TRP A 71 1.747 7.036 -5.057 1.00 0.00 C ATOM 1103 CZ2 TRP A 71 3.950 8.164 -6.393 1.00 0.00 C ATOM 1104 CZ3 TRP A 71 3.038 6.524 -4.851 1.00 0.00 C ATOM 1105 CH2 TRP A 71 4.136 7.069 -5.541 1.00 0.00 C ATOM 0 H TRP A 71 -0.148 6.768 -6.855 1.00 0.00 H new ATOM 0 HA TRP A 71 -2.765 7.471 -6.080 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -1.500 9.696 -5.608 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -0.979 8.258 -4.753 1.00 0.00 H new ATOM 0 HD1 TRP A 71 0.159 10.621 -7.566 1.00 0.00 H new ATOM 0 HE1 TRP A 71 2.716 10.399 -7.840 1.00 0.00 H new ATOM 0 HE3 TRP A 71 0.901 6.555 -4.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 4.784 8.572 -6.945 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 3.189 5.708 -4.160 1.00 0.00 H new ATOM 0 HH2 TRP A 71 5.120 6.644 -5.414 1.00 0.00 H new ATOM 1116 N VAL A 72 -3.229 9.764 -7.428 1.00 0.00 N ATOM 1117 CA VAL A 72 -3.836 10.696 -8.395 1.00 0.00 C ATOM 1118 C VAL A 72 -2.803 11.331 -9.328 1.00 0.00 C ATOM 1119 O VAL A 72 -2.996 11.377 -10.533 1.00 0.00 O ATOM 1120 CB VAL A 72 -4.593 11.824 -7.677 1.00 0.00 C ATOM 1121 CG1 VAL A 72 -5.294 12.780 -8.658 1.00 0.00 C ATOM 1122 CG2 VAL A 72 -5.630 11.266 -6.696 1.00 0.00 C ATOM 0 H VAL A 72 -3.436 9.996 -6.456 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.525 10.097 -8.990 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.838 12.387 -7.128 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.814 13.558 -8.099 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.552 13.238 -9.313 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.013 12.222 -9.258 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.147 12.091 -6.205 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.352 10.656 -7.238 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.129 10.654 -5.946 1.00 0.00 H new ATOM 1132 N GLY A 73 -1.730 11.900 -8.764 1.00 0.00 N ATOM 1133 CA GLY A 73 -0.683 12.567 -9.550 1.00 0.00 C ATOM 1134 C GLY A 73 -0.060 11.673 -10.628 1.00 0.00 C ATOM 1135 O GLY A 73 0.329 12.153 -11.689 1.00 0.00 O ATOM 0 H GLY A 73 -1.563 11.912 -7.758 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.106 13.453 -10.024 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.102 12.910 -8.876 1.00 0.00 H new ATOM 1139 N LYS A 74 0.075 10.374 -10.335 1.00 0.00 N ATOM 1140 CA LYS A 74 0.498 9.362 -11.300 1.00 0.00 C ATOM 1141 C LYS A 74 -0.591 9.105 -12.352 1.00 0.00 C ATOM 1142 O LYS A 74 -1.775 9.221 -12.086 1.00 0.00 O ATOM 1143 CB LYS A 74 0.815 8.067 -10.546 1.00 0.00 C ATOM 1144 CG LYS A 74 2.268 7.988 -10.082 1.00 0.00 C ATOM 1145 CD LYS A 74 2.500 6.791 -9.142 1.00 0.00 C ATOM 1146 CE LYS A 74 3.991 6.539 -8.940 1.00 0.00 C ATOM 1147 NZ LYS A 74 4.626 5.998 -10.159 1.00 0.00 N ATOM 0 H LYS A 74 -0.110 9.995 -9.406 1.00 0.00 H new ATOM 0 HA LYS A 74 1.384 9.720 -11.824 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.158 7.987 -9.680 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.598 7.215 -11.191 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.923 7.902 -10.949 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.537 8.911 -9.569 1.00 0.00 H new ATOM 0 HD2 LYS A 74 2.026 6.982 -8.179 1.00 0.00 H new ATOM 0 HD3 LYS A 74 2.030 5.900 -9.558 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.482 7.470 -8.657 1.00 0.00 H new ATOM 0 HE3 LYS A 74 4.133 5.840 -8.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.642 5.856 -9.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.186 5.088 -10.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.498 6.668 -10.944 1.00 0.00 H new ATOM 1161 N ASN A 75 -0.167 8.621 -13.516 1.00 0.00 N ATOM 1162 CA ASN A 75 -1.030 8.276 -14.652 1.00 0.00 C ATOM 1163 C ASN A 75 -0.786 6.832 -15.137 1.00 0.00 C ATOM 1164 O ASN A 75 -0.864 6.536 -16.318 1.00 0.00 O ATOM 1165 CB ASN A 75 -0.819 9.348 -15.743 1.00 0.00 C ATOM 1166 CG ASN A 75 -1.727 9.166 -16.949 1.00 0.00 C ATOM 1167 OD1 ASN A 75 -1.303 8.861 -18.047 1.00 0.00 O ATOM 1168 ND2 ASN A 75 -3.010 9.381 -16.785 1.00 0.00 N ATOM 0 H ASN A 75 0.821 8.451 -13.705 1.00 0.00 H new ATOM 0 HA ASN A 75 -2.080 8.284 -14.358 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.992 10.334 -15.312 1.00 0.00 H new ATOM 0 HB3 ASN A 75 0.220 9.322 -16.072 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -3.647 9.292 -17.576 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -3.371 9.637 -15.866 1.00 0.00 H new ATOM 1175 N ALA A 76 -0.420 5.926 -14.233 1.00 0.00 N ATOM 1176 CA ALA A 76 -0.185 4.527 -14.579 1.00 0.00 C ATOM 1177 C ALA A 76 -1.023 3.594 -13.701 1.00 0.00 C ATOM 1178 O ALA A 76 -1.707 4.033 -12.778 1.00 0.00 O ATOM 1179 CB ALA A 76 1.323 4.258 -14.534 1.00 0.00 C ATOM 0 H ALA A 76 -0.279 6.140 -13.246 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.519 4.318 -15.595 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.515 3.216 -14.790 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.830 4.907 -15.249 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.699 4.460 -13.531 1.00 0.00 H new ATOM 1185 N GLU A 77 -0.958 2.302 -13.990 1.00 0.00 N ATOM 1186 CA GLU A 77 -1.702 1.280 -13.276 1.00 0.00 C ATOM 1187 C GLU A 77 -0.832 0.037 -13.120 1.00 0.00 C ATOM 1188 O GLU A 77 -0.234 -0.457 -14.072 1.00 0.00 O ATOM 1189 CB GLU A 77 -3.000 0.966 -14.035 1.00 0.00 C ATOM 1190 CG GLU A 77 -4.000 0.213 -13.138 1.00 0.00 C ATOM 1191 CD GLU A 77 -5.024 -0.656 -13.897 1.00 0.00 C ATOM 1192 OE1 GLU A 77 -4.709 -1.148 -15.003 1.00 0.00 O ATOM 1193 OE2 GLU A 77 -6.096 -0.924 -13.303 1.00 0.00 O ATOM 0 H GLU A 77 -0.376 1.931 -14.741 1.00 0.00 H new ATOM 0 HA GLU A 77 -1.970 1.635 -12.281 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.451 1.893 -14.389 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.773 0.365 -14.916 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.442 -0.424 -12.452 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.540 0.939 -12.531 1.00 0.00 H new ATOM 1200 N TRP A 78 -0.708 -0.432 -11.879 1.00 0.00 N ATOM 1201 CA TRP A 78 0.066 -1.622 -11.554 1.00 0.00 C ATOM 1202 C TRP A 78 -0.628 -2.835 -12.158 1.00 0.00 C ATOM 1203 O TRP A 78 -1.731 -3.191 -11.719 1.00 0.00 O ATOM 1204 CB TRP A 78 0.250 -1.778 -10.037 1.00 0.00 C ATOM 1205 CG TRP A 78 1.458 -2.573 -9.669 1.00 0.00 C ATOM 1206 CD1 TRP A 78 1.531 -3.921 -9.591 1.00 0.00 C ATOM 1207 CD2 TRP A 78 2.787 -2.080 -9.329 1.00 0.00 C ATOM 1208 NE1 TRP A 78 2.810 -4.298 -9.248 1.00 0.00 N ATOM 1209 CE2 TRP A 78 3.624 -3.203 -9.074 1.00 0.00 C ATOM 1210 CE3 TRP A 78 3.370 -0.800 -9.186 1.00 0.00 C ATOM 1211 CZ2 TRP A 78 4.963 -3.061 -8.705 1.00 0.00 C ATOM 1212 CZ3 TRP A 78 4.723 -0.643 -8.840 1.00 0.00 C ATOM 1213 CH2 TRP A 78 5.522 -1.771 -8.600 1.00 0.00 C ATOM 0 H TRP A 78 -1.145 0.008 -11.069 1.00 0.00 H new ATOM 0 HA TRP A 78 1.066 -1.528 -11.978 1.00 0.00 H new ATOM 0 HB2 TRP A 78 0.321 -0.790 -9.583 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -0.634 -2.258 -9.618 1.00 0.00 H new ATOM 0 HD1 TRP A 78 0.710 -4.599 -9.771 1.00 0.00 H new ATOM 0 HE1 TRP A 78 3.115 -5.265 -9.137 1.00 0.00 H new ATOM 0 HE3 TRP A 78 2.761 0.078 -9.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 5.566 -3.933 -8.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 5.148 0.347 -8.759 1.00 0.00 H new ATOM 0 HH2 TRP A 78 6.562 -1.651 -8.336 1.00 0.00 H new ATOM 1224 N ALA A 79 0.008 -3.440 -13.160 1.00 0.00 N ATOM 1225 CA ALA A 79 -0.480 -4.664 -13.770 1.00 0.00 C ATOM 1226 C ALA A 79 -0.567 -5.827 -12.760 1.00 0.00 C ATOM 1227 O ALA A 79 -0.219 -5.698 -11.595 1.00 0.00 O ATOM 1228 CB ALA A 79 0.411 -5.003 -14.961 1.00 0.00 C ATOM 0 H ALA A 79 0.875 -3.091 -13.568 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.501 -4.507 -14.118 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.057 -5.921 -15.430 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.376 -4.189 -15.685 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.437 -5.142 -14.620 1.00 0.00 H new ATOM 1234 N LYS A 80 -1.068 -6.982 -13.203 1.00 0.00 N ATOM 1235 CA LYS A 80 -1.226 -8.183 -12.365 1.00 0.00 C ATOM 1236 C LYS A 80 -0.025 -9.108 -12.512 1.00 0.00 C ATOM 1237 O LYS A 80 0.771 -9.306 -11.603 1.00 0.00 O ATOM 1238 CB LYS A 80 -2.537 -8.893 -12.747 1.00 0.00 C ATOM 1239 CG LYS A 80 -3.771 -8.028 -12.459 1.00 0.00 C ATOM 1240 CD LYS A 80 -4.140 -8.066 -10.971 1.00 0.00 C ATOM 1241 CE LYS A 80 -4.939 -6.823 -10.586 1.00 0.00 C ATOM 1242 NZ LYS A 80 -4.064 -5.646 -10.350 1.00 0.00 N ATOM 0 H LYS A 80 -1.381 -7.116 -14.165 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.277 -7.892 -11.316 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.514 -9.149 -13.806 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.615 -9.829 -12.195 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.576 -6.999 -12.762 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.613 -8.381 -13.054 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.724 -8.961 -10.758 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.234 -8.125 -10.367 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -5.652 -6.591 -11.378 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.518 -7.030 -9.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.587 -4.928 -9.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -3.223 -5.940 -9.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.769 -5.244 -11.263 1.00 0.00 H new ATOM 1256 N ASP A 81 0.162 -9.654 -13.702 1.00 0.00 N ATOM 1257 CA ASP A 81 1.213 -10.618 -14.009 1.00 0.00 C ATOM 1258 C ASP A 81 2.519 -9.890 -14.373 1.00 0.00 C ATOM 1259 O ASP A 81 3.299 -10.315 -15.222 1.00 0.00 O ATOM 1260 CB ASP A 81 0.731 -11.593 -15.097 1.00 0.00 C ATOM 1261 CG ASP A 81 -0.602 -12.296 -14.755 1.00 0.00 C ATOM 1262 OD1 ASP A 81 -1.592 -11.603 -14.417 1.00 0.00 O ATOM 1263 OD2 ASP A 81 -0.623 -13.543 -14.760 1.00 0.00 O ATOM 0 H ASP A 81 -0.428 -9.435 -14.505 1.00 0.00 H new ATOM 0 HA ASP A 81 1.435 -11.219 -13.127 1.00 0.00 H new ATOM 0 HB2 ASP A 81 0.615 -11.049 -16.034 1.00 0.00 H new ATOM 0 HB3 ASP A 81 1.499 -12.349 -15.261 1.00 0.00 H new ATOM 1268 N VAL A 82 2.793 -8.766 -13.699 1.00 0.00 N ATOM 1269 CA VAL A 82 3.947 -7.911 -13.959 1.00 0.00 C ATOM 1270 C VAL A 82 4.673 -7.584 -12.668 1.00 0.00 C ATOM 1271 O VAL A 82 4.125 -6.964 -11.765 1.00 0.00 O ATOM 1272 CB VAL A 82 3.519 -6.624 -14.665 1.00 0.00 C ATOM 1273 CG1 VAL A 82 4.755 -5.807 -15.022 1.00 0.00 C ATOM 1274 CG2 VAL A 82 2.791 -6.925 -15.981 1.00 0.00 C ATOM 0 H VAL A 82 2.202 -8.422 -12.942 1.00 0.00 H new ATOM 0 HA VAL A 82 4.629 -8.454 -14.613 1.00 0.00 H new ATOM 0 HB VAL A 82 2.857 -6.085 -13.988 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.451 -4.889 -15.525 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.302 -5.558 -14.113 1.00 0.00 H new ATOM 0 HG13 VAL A 82 5.397 -6.389 -15.684 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.500 -5.989 -16.458 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.454 -7.480 -16.645 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.901 -7.520 -15.777 1.00 0.00 H new ATOM 1284 N LYS A 83 5.950 -7.961 -12.603 1.00 0.00 N ATOM 1285 CA LYS A 83 6.810 -7.642 -11.462 1.00 0.00 C ATOM 1286 C LYS A 83 7.175 -6.158 -11.473 1.00 0.00 C ATOM 1287 O LYS A 83 7.275 -5.569 -12.548 1.00 0.00 O ATOM 1288 CB LYS A 83 8.053 -8.553 -11.452 1.00 0.00 C ATOM 1289 CG LYS A 83 9.145 -8.216 -12.495 1.00 0.00 C ATOM 1290 CD LYS A 83 9.008 -9.026 -13.790 1.00 0.00 C ATOM 1291 CE LYS A 83 9.594 -10.432 -13.619 1.00 0.00 C ATOM 1292 NZ LYS A 83 11.072 -10.428 -13.782 1.00 0.00 N ATOM 0 H LYS A 83 6.417 -8.494 -13.337 1.00 0.00 H new ATOM 0 HA LYS A 83 6.267 -7.834 -10.537 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.501 -8.513 -10.459 1.00 0.00 H new ATOM 0 HB3 LYS A 83 7.728 -9.581 -11.614 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.098 -7.153 -12.731 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.126 -8.402 -12.059 1.00 0.00 H new ATOM 0 HD2 LYS A 83 7.957 -9.097 -14.070 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.520 -8.510 -14.602 1.00 0.00 H new ATOM 0 HE2 LYS A 83 9.336 -10.818 -12.633 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.148 -11.105 -14.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.437 -11.394 -13.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.316 -10.083 -14.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.498 -9.804 -13.067 1.00 0.00 H new ATOM 1306 N THR A 84 7.539 -5.609 -10.313 1.00 0.00 N ATOM 1307 CA THR A 84 8.028 -4.220 -10.116 1.00 0.00 C ATOM 1308 C THR A 84 8.962 -3.720 -11.218 1.00 0.00 C ATOM 1309 O THR A 84 8.727 -2.673 -11.792 1.00 0.00 O ATOM 1310 CB THR A 84 8.789 -4.059 -8.790 1.00 0.00 C ATOM 1311 OG1 THR A 84 9.849 -4.990 -8.737 1.00 0.00 O ATOM 1312 CG2 THR A 84 7.929 -4.270 -7.549 1.00 0.00 C ATOM 0 H THR A 84 7.504 -6.134 -9.439 1.00 0.00 H new ATOM 0 HA THR A 84 7.113 -3.628 -10.127 1.00 0.00 H new ATOM 0 HB THR A 84 9.141 -3.028 -8.777 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.334 -4.885 -7.892 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.540 -4.139 -6.656 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.116 -3.544 -7.542 1.00 0.00 H new ATOM 0 HG23 THR A 84 7.515 -5.278 -7.560 1.00 0.00 H new ATOM 1320 N SER A 85 10.028 -4.467 -11.507 1.00 0.00 N ATOM 1321 CA SER A 85 11.020 -4.148 -12.543 1.00 0.00 C ATOM 1322 C SER A 85 10.377 -3.917 -13.913 1.00 0.00 C ATOM 1323 O SER A 85 10.474 -2.842 -14.490 1.00 0.00 O ATOM 1324 CB SER A 85 12.027 -5.291 -12.675 1.00 0.00 C ATOM 1325 OG SER A 85 12.672 -5.570 -11.451 1.00 0.00 O ATOM 0 H SER A 85 10.234 -5.336 -11.015 1.00 0.00 H new ATOM 0 HA SER A 85 11.514 -3.228 -12.231 1.00 0.00 H new ATOM 0 HB2 SER A 85 11.515 -6.186 -13.028 1.00 0.00 H new ATOM 0 HB3 SER A 85 12.772 -5.033 -13.427 1.00 0.00 H new ATOM 0 HG SER A 85 13.306 -6.307 -11.576 1.00 0.00 H new ATOM 1331 N GLN A 86 9.734 -4.962 -14.450 1.00 0.00 N ATOM 1332 CA GLN A 86 8.986 -4.880 -15.698 1.00 0.00 C ATOM 1333 C GLN A 86 7.959 -3.752 -15.683 1.00 0.00 C ATOM 1334 O GLN A 86 7.808 -3.134 -16.730 1.00 0.00 O ATOM 1335 CB GLN A 86 8.298 -6.217 -16.008 1.00 0.00 C ATOM 1336 CG GLN A 86 7.426 -6.181 -17.282 1.00 0.00 C ATOM 1337 CD GLN A 86 8.204 -5.972 -18.576 1.00 0.00 C ATOM 1338 OE1 GLN A 86 9.421 -5.915 -18.634 1.00 0.00 O ATOM 1339 NE2 GLN A 86 7.520 -5.765 -19.675 1.00 0.00 N ATOM 0 H GLN A 86 9.722 -5.889 -14.024 1.00 0.00 H new ATOM 0 HA GLN A 86 9.706 -4.658 -16.485 1.00 0.00 H new ATOM 0 HB2 GLN A 86 9.058 -6.990 -16.119 1.00 0.00 H new ATOM 0 HB3 GLN A 86 7.676 -6.502 -15.159 1.00 0.00 H new ATOM 0 HG2 GLN A 86 6.871 -7.117 -17.354 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.692 -5.382 -17.182 1.00 0.00 H new ATOM 0 HE21 GLN A 86 6.501 -5.806 -19.657 1.00 0.00 H new ATOM 0 HE22 GLN A 86 8.007 -5.563 -20.548 1.00 0.00 H new ATOM 1348 N GLN A 87 7.268 -3.526 -14.560 1.00 0.00 N ATOM 1349 CA GLN A 87 6.244 -2.501 -14.349 1.00 0.00 C ATOM 1350 C GLN A 87 6.592 -1.180 -15.037 1.00 0.00 C ATOM 1351 O GLN A 87 7.536 -0.478 -14.672 1.00 0.00 O ATOM 1352 CB GLN A 87 6.009 -2.276 -12.844 1.00 0.00 C ATOM 1353 CG GLN A 87 4.615 -1.747 -12.526 1.00 0.00 C ATOM 1354 CD GLN A 87 3.541 -2.744 -12.922 1.00 0.00 C ATOM 1355 OE1 GLN A 87 2.816 -2.559 -13.880 1.00 0.00 O ATOM 1356 NE2 GLN A 87 3.448 -3.860 -12.246 1.00 0.00 N ATOM 0 H GLN A 87 7.420 -4.090 -13.724 1.00 0.00 H new ATOM 0 HA GLN A 87 5.325 -2.869 -14.804 1.00 0.00 H new ATOM 0 HB2 GLN A 87 6.163 -3.216 -12.314 1.00 0.00 H new ATOM 0 HB3 GLN A 87 6.752 -1.573 -12.468 1.00 0.00 H new ATOM 0 HG2 GLN A 87 4.540 -1.533 -11.460 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.452 -0.806 -13.052 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.054 -4.021 -11.441 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.770 -4.569 -12.524 1.00 0.00 H new ATOM 1365 N LYS A 88 5.808 -0.830 -16.056 1.00 0.00 N ATOM 1366 CA LYS A 88 6.055 0.352 -16.881 1.00 0.00 C ATOM 1367 C LYS A 88 5.136 1.479 -16.444 1.00 0.00 C ATOM 1368 O LYS A 88 4.133 1.764 -17.084 1.00 0.00 O ATOM 1369 CB LYS A 88 5.879 0.025 -18.370 1.00 0.00 C ATOM 1370 CG LYS A 88 6.763 -1.114 -18.884 1.00 0.00 C ATOM 1371 CD LYS A 88 8.265 -0.776 -18.800 1.00 0.00 C ATOM 1372 CE LYS A 88 9.081 -1.668 -19.741 1.00 0.00 C ATOM 1373 NZ LYS A 88 9.441 -2.953 -19.098 1.00 0.00 N ATOM 0 H LYS A 88 4.982 -1.360 -16.333 1.00 0.00 H new ATOM 0 HA LYS A 88 7.087 0.676 -16.744 1.00 0.00 H new ATOM 0 HB2 LYS A 88 4.836 -0.234 -18.550 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.090 0.922 -18.952 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.563 -2.015 -18.304 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.501 -1.336 -19.918 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.421 0.271 -19.059 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.614 -0.906 -17.776 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.508 -1.862 -20.648 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.988 -1.145 -20.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.254 -3.735 -19.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.450 -2.945 -18.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.872 -3.082 -18.237 1.00 0.00 H new ATOM 1387 N GLY A 89 5.476 2.113 -15.329 1.00 0.00 N ATOM 1388 CA GLY A 89 4.662 3.221 -14.826 1.00 0.00 C ATOM 1389 C GLY A 89 5.371 4.090 -13.803 1.00 0.00 C ATOM 1390 O GLY A 89 5.283 5.314 -13.817 1.00 0.00 O ATOM 0 H GLY A 89 6.293 1.888 -14.762 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.354 3.844 -15.666 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.754 2.818 -14.379 1.00 0.00 H new ATOM 1394 N GLY A 90 6.032 3.456 -12.840 1.00 0.00 N ATOM 1395 CA GLY A 90 6.836 4.149 -11.844 1.00 0.00 C ATOM 1396 C GLY A 90 6.706 3.546 -10.449 1.00 0.00 C ATOM 1397 O GLY A 90 5.650 2.996 -10.120 1.00 0.00 O ATOM 0 H GLY A 90 6.024 2.442 -12.729 1.00 0.00 H new ATOM 0 HA2 GLY A 90 7.882 4.124 -12.148 1.00 0.00 H new ATOM 0 HA3 GLY A 90 6.539 5.197 -11.810 1.00 0.00 H new ATOM 1401 N PRO A 91 7.710 3.786 -9.590 1.00 0.00 N ATOM 1402 CA PRO A 91 7.739 3.288 -8.226 1.00 0.00 C ATOM 1403 C PRO A 91 6.641 3.935 -7.383 1.00 0.00 C ATOM 1404 O PRO A 91 6.253 5.086 -7.590 1.00 0.00 O ATOM 1405 CB PRO A 91 9.142 3.610 -7.708 1.00 0.00 C ATOM 1406 CG PRO A 91 9.568 4.832 -8.518 1.00 0.00 C ATOM 1407 CD PRO A 91 8.876 4.616 -9.860 1.00 0.00 C ATOM 0 HA PRO A 91 7.543 2.217 -8.172 1.00 0.00 H new ATOM 0 HB2 PRO A 91 9.133 3.824 -6.639 1.00 0.00 H new ATOM 0 HB3 PRO A 91 9.824 2.774 -7.860 1.00 0.00 H new ATOM 0 HG2 PRO A 91 9.249 5.761 -8.045 1.00 0.00 H new ATOM 0 HG3 PRO A 91 10.651 4.886 -8.627 1.00 0.00 H new ATOM 0 HD2 PRO A 91 8.582 5.567 -10.303 1.00 0.00 H new ATOM 0 HD3 PRO A 91 9.545 4.128 -10.568 1.00 0.00 H new ATOM 1415 N THR A 92 6.115 3.156 -6.446 1.00 0.00 N ATOM 1416 CA THR A 92 5.072 3.581 -5.515 1.00 0.00 C ATOM 1417 C THR A 92 5.224 2.855 -4.165 1.00 0.00 C ATOM 1418 O THR A 92 5.073 1.632 -4.096 1.00 0.00 O ATOM 1419 CB THR A 92 3.654 3.463 -6.100 1.00 0.00 C ATOM 1420 OG1 THR A 92 2.768 3.459 -5.005 1.00 0.00 O ATOM 1421 CG2 THR A 92 3.458 2.273 -7.048 1.00 0.00 C ATOM 0 H THR A 92 6.407 2.189 -6.307 1.00 0.00 H new ATOM 0 HA THR A 92 5.211 4.647 -5.336 1.00 0.00 H new ATOM 0 HB THR A 92 3.454 4.312 -6.753 1.00 0.00 H new ATOM 0 HG1 THR A 92 1.866 3.688 -5.313 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.431 2.265 -7.414 1.00 0.00 H new ATOM 0 HG22 THR A 92 4.143 2.363 -7.891 1.00 0.00 H new ATOM 0 HG23 THR A 92 3.660 1.345 -6.513 1.00 0.00 H new ATOM 1429 N PRO A 93 5.574 3.580 -3.083 1.00 0.00 N ATOM 1430 CA PRO A 93 5.672 3.015 -1.744 1.00 0.00 C ATOM 1431 C PRO A 93 4.326 2.763 -1.094 1.00 0.00 C ATOM 1432 O PRO A 93 4.265 1.992 -0.141 1.00 0.00 O ATOM 1433 CB PRO A 93 6.376 4.071 -0.901 1.00 0.00 C ATOM 1434 CG PRO A 93 6.121 5.392 -1.616 1.00 0.00 C ATOM 1435 CD PRO A 93 5.984 4.973 -3.068 1.00 0.00 C ATOM 0 HA PRO A 93 6.188 2.057 -1.810 1.00 0.00 H new ATOM 0 HB2 PRO A 93 5.981 4.091 0.115 1.00 0.00 H new ATOM 0 HB3 PRO A 93 7.444 3.865 -0.824 1.00 0.00 H new ATOM 0 HG2 PRO A 93 5.218 5.881 -1.250 1.00 0.00 H new ATOM 0 HG3 PRO A 93 6.943 6.093 -1.474 1.00 0.00 H new ATOM 0 HD2 PRO A 93 5.249 5.595 -3.579 1.00 0.00 H new ATOM 0 HD3 PRO A 93 6.930 5.100 -3.595 1.00 0.00 H new ATOM 1443 N ILE A 94 3.304 3.498 -1.535 1.00 0.00 N ATOM 1444 CA ILE A 94 1.929 3.371 -1.072 1.00 0.00 C ATOM 1445 C ILE A 94 1.362 2.024 -1.515 1.00 0.00 C ATOM 1446 O ILE A 94 1.254 1.768 -2.715 1.00 0.00 O ATOM 1447 CB ILE A 94 1.046 4.531 -1.562 1.00 0.00 C ATOM 1448 CG1 ILE A 94 1.563 5.860 -0.988 1.00 0.00 C ATOM 1449 CG2 ILE A 94 -0.378 4.297 -1.038 1.00 0.00 C ATOM 1450 CD1 ILE A 94 0.956 7.086 -1.644 1.00 0.00 C ATOM 0 H ILE A 94 3.418 4.220 -2.247 1.00 0.00 H new ATOM 0 HA ILE A 94 1.931 3.419 0.017 1.00 0.00 H new ATOM 0 HB ILE A 94 1.064 4.575 -2.651 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.353 5.890 0.081 1.00 0.00 H new ATOM 0 HG13 ILE A 94 2.646 5.897 -1.101 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.026 5.107 -1.372 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -0.755 3.349 -1.421 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.365 4.269 0.052 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.369 7.985 -1.187 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.188 7.081 -2.709 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.125 7.074 -1.508 1.00 0.00 H new ATOM 1462 N ARG A 95 1.003 1.166 -0.559 1.00 0.00 N ATOM 1463 CA ARG A 95 0.419 -0.149 -0.817 1.00 0.00 C ATOM 1464 C ARG A 95 -0.787 -0.398 0.075 1.00 0.00 C ATOM 1465 O ARG A 95 -0.711 -0.198 1.286 1.00 0.00 O ATOM 1466 CB ARG A 95 1.467 -1.253 -0.631 1.00 0.00 C ATOM 1467 CG ARG A 95 2.773 -0.975 -1.380 1.00 0.00 C ATOM 1468 CD ARG A 95 3.741 -2.125 -1.179 1.00 0.00 C ATOM 1469 NE ARG A 95 4.710 -2.196 -2.281 1.00 0.00 N ATOM 1470 CZ ARG A 95 5.853 -2.844 -2.217 1.00 0.00 C ATOM 1471 NH1 ARG A 95 6.245 -3.463 -1.142 1.00 0.00 N ATOM 1472 NH2 ARG A 95 6.619 -2.887 -3.269 1.00 0.00 N ATOM 0 H ARG A 95 1.112 1.370 0.434 1.00 0.00 H new ATOM 0 HA ARG A 95 0.080 -0.168 -1.853 1.00 0.00 H new ATOM 0 HB2 ARG A 95 1.682 -1.366 0.432 1.00 0.00 H new ATOM 0 HB3 ARG A 95 1.053 -2.201 -0.975 1.00 0.00 H new ATOM 0 HG2 ARG A 95 2.571 -0.840 -2.443 1.00 0.00 H new ATOM 0 HG3 ARG A 95 3.218 -0.047 -1.020 1.00 0.00 H new ATOM 0 HD2 ARG A 95 4.269 -2.000 -0.233 1.00 0.00 H new ATOM 0 HD3 ARG A 95 3.189 -3.063 -1.114 1.00 0.00 H new ATOM 0 HE ARG A 95 4.482 -1.713 -3.150 1.00 0.00 H new ATOM 0 HH11 ARG A 95 5.658 -3.457 -0.308 1.00 0.00 H new ATOM 0 HH12 ARG A 95 7.139 -3.954 -1.134 1.00 0.00 H new ATOM 0 HH21 ARG A 95 6.330 -2.422 -4.129 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.508 -3.386 -3.233 1.00 0.00 H new ATOM 1486 N VAL A 96 -1.908 -0.794 -0.517 1.00 0.00 N ATOM 1487 CA VAL A 96 -3.121 -1.163 0.214 1.00 0.00 C ATOM 1488 C VAL A 96 -2.909 -2.446 1.005 1.00 0.00 C ATOM 1489 O VAL A 96 -2.385 -3.410 0.457 1.00 0.00 O ATOM 1490 CB VAL A 96 -4.307 -1.304 -0.743 1.00 0.00 C ATOM 1491 CG1 VAL A 96 -4.154 -2.458 -1.736 1.00 0.00 C ATOM 1492 CG2 VAL A 96 -5.567 -1.478 0.100 1.00 0.00 C ATOM 0 H VAL A 96 -2.004 -0.870 -1.530 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.347 -0.365 0.921 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.364 -0.404 -1.356 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.030 -2.500 -2.383 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.262 -2.300 -2.342 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.061 -3.397 -1.191 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.432 -1.581 -0.555 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.471 -2.371 0.718 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -5.699 -0.606 0.741 1.00 0.00 H new ATOM 1502 N VAL A 97 -3.353 -2.473 2.257 1.00 0.00 N ATOM 1503 CA VAL A 97 -3.257 -3.616 3.164 1.00 0.00 C ATOM 1504 C VAL A 97 -4.643 -4.086 3.553 1.00 0.00 C ATOM 1505 O VAL A 97 -5.570 -3.313 3.803 1.00 0.00 O ATOM 1506 CB VAL A 97 -2.442 -3.303 4.431 1.00 0.00 C ATOM 1507 CG1 VAL A 97 -2.267 -4.512 5.369 1.00 0.00 C ATOM 1508 CG2 VAL A 97 -1.065 -2.754 4.064 1.00 0.00 C ATOM 0 H VAL A 97 -3.808 -1.668 2.687 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.730 -4.404 2.627 1.00 0.00 H new ATOM 0 HB VAL A 97 -3.020 -2.554 4.972 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.683 -4.215 6.240 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.246 -4.866 5.692 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.749 -5.311 4.839 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.505 -2.539 4.974 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.525 -3.492 3.471 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.181 -1.838 3.485 1.00 0.00 H new ATOM 1518 N TYR A 98 -4.801 -5.399 3.589 1.00 0.00 N ATOM 1519 CA TYR A 98 -6.063 -6.066 3.846 1.00 0.00 C ATOM 1520 C TYR A 98 -5.838 -7.359 4.616 1.00 0.00 C ATOM 1521 O TYR A 98 -4.849 -8.044 4.409 1.00 0.00 O ATOM 1522 CB TYR A 98 -6.791 -6.337 2.526 1.00 0.00 C ATOM 1523 CG TYR A 98 -5.920 -6.692 1.329 1.00 0.00 C ATOM 1524 CD1 TYR A 98 -5.092 -5.733 0.710 1.00 0.00 C ATOM 1525 CD2 TYR A 98 -5.952 -7.994 0.819 1.00 0.00 C ATOM 1526 CE1 TYR A 98 -4.296 -6.074 -0.397 1.00 0.00 C ATOM 1527 CE2 TYR A 98 -5.213 -8.324 -0.334 1.00 0.00 C ATOM 1528 CZ TYR A 98 -4.387 -7.363 -0.946 1.00 0.00 C ATOM 1529 OH TYR A 98 -3.666 -7.694 -2.044 1.00 0.00 O ATOM 0 H TYR A 98 -4.030 -6.048 3.435 1.00 0.00 H new ATOM 0 HA TYR A 98 -6.687 -5.415 4.458 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -7.497 -7.151 2.687 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -7.376 -5.453 2.272 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -5.069 -4.723 1.092 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -6.546 -8.750 1.311 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -3.618 -5.349 -0.823 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -5.281 -9.318 -0.750 1.00 0.00 H new ATOM 0 HH TYR A 98 -3.976 -8.557 -2.391 1.00 0.00 H new ATOM 1539 N ALA A 99 -6.786 -7.704 5.482 1.00 0.00 N ATOM 1540 CA ALA A 99 -6.747 -8.932 6.265 1.00 0.00 C ATOM 1541 C ALA A 99 -7.580 -10.034 5.595 1.00 0.00 C ATOM 1542 O ALA A 99 -8.585 -9.755 4.931 1.00 0.00 O ATOM 1543 CB ALA A 99 -7.219 -8.629 7.694 1.00 0.00 C ATOM 0 H ALA A 99 -7.611 -7.132 5.661 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.725 -9.308 6.315 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -7.193 -9.543 8.287 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -6.562 -7.885 8.144 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -8.238 -8.243 7.666 1.00 0.00 H new ATOM 1549 N ASN A 100 -7.193 -11.287 5.822 1.00 0.00 N ATOM 1550 CA ASN A 100 -7.885 -12.482 5.369 1.00 0.00 C ATOM 1551 C ASN A 100 -8.800 -13.015 6.481 1.00 0.00 C ATOM 1552 O ASN A 100 -8.535 -14.044 7.086 1.00 0.00 O ATOM 1553 CB ASN A 100 -6.852 -13.525 4.917 1.00 0.00 C ATOM 1554 CG ASN A 100 -7.476 -14.842 4.494 1.00 0.00 C ATOM 1555 OD1 ASN A 100 -6.944 -15.909 4.719 1.00 0.00 O ATOM 1556 ND2 ASN A 100 -8.605 -14.810 3.821 1.00 0.00 N ATOM 0 H ASN A 100 -6.348 -11.502 6.352 1.00 0.00 H new ATOM 0 HA ASN A 100 -8.521 -12.247 4.516 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -6.276 -13.120 4.085 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -6.150 -13.708 5.731 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -9.027 -15.678 3.492 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -9.058 -13.917 3.628 1.00 0.00 H new ATOM 1563 N SER A 101 -9.884 -12.290 6.757 1.00 0.00 N ATOM 1564 CA SER A 101 -10.868 -12.730 7.756 1.00 0.00 C ATOM 1565 C SER A 101 -11.693 -13.905 7.219 1.00 0.00 C ATOM 1566 O SER A 101 -11.606 -15.027 7.699 1.00 0.00 O ATOM 1567 CB SER A 101 -11.750 -11.542 8.162 1.00 0.00 C ATOM 1568 OG SER A 101 -12.355 -11.746 9.419 1.00 0.00 O ATOM 0 H SER A 101 -10.106 -11.401 6.309 1.00 0.00 H new ATOM 0 HA SER A 101 -10.352 -13.087 8.647 1.00 0.00 H new ATOM 0 HB2 SER A 101 -11.147 -10.635 8.192 1.00 0.00 H new ATOM 0 HB3 SER A 101 -12.522 -11.387 7.408 1.00 0.00 H new ATOM 0 HG SER A 101 -12.908 -10.969 9.646 1.00 0.00 H new ATOM 1574 N ARG A 102 -12.503 -13.647 6.182 1.00 0.00 N ATOM 1575 CA ARG A 102 -13.419 -14.626 5.561 1.00 0.00 C ATOM 1576 C ARG A 102 -13.324 -14.649 4.035 1.00 0.00 C ATOM 1577 O ARG A 102 -14.341 -14.658 3.347 1.00 0.00 O ATOM 1578 CB ARG A 102 -14.850 -14.401 6.080 1.00 0.00 C ATOM 1579 CG ARG A 102 -15.426 -13.013 5.734 1.00 0.00 C ATOM 1580 CD ARG A 102 -16.855 -12.848 6.248 1.00 0.00 C ATOM 1581 NE ARG A 102 -17.773 -13.855 5.679 1.00 0.00 N ATOM 1582 CZ ARG A 102 -19.090 -13.779 5.648 1.00 0.00 C ATOM 1583 NH1 ARG A 102 -19.715 -12.735 6.113 1.00 0.00 N ATOM 1584 NH2 ARG A 102 -19.803 -14.741 5.138 1.00 0.00 N ATOM 0 H ARG A 102 -12.543 -12.730 5.738 1.00 0.00 H new ATOM 0 HA ARG A 102 -13.107 -15.626 5.864 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -15.502 -15.169 5.664 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -14.858 -14.528 7.163 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -14.792 -12.238 6.166 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -15.410 -12.872 4.653 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -16.860 -12.928 7.335 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -17.215 -11.850 6.000 1.00 0.00 H new ATOM 0 HE ARG A 102 -17.349 -14.688 5.271 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -19.186 -11.958 6.510 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -20.734 -12.694 6.081 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -19.345 -15.568 4.755 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -20.820 -14.668 5.121 1.00 0.00 H new ATOM 1598 N GLY A 103 -12.111 -14.540 3.499 1.00 0.00 N ATOM 1599 CA GLY A 103 -11.871 -14.430 2.052 1.00 0.00 C ATOM 1600 C GLY A 103 -12.158 -13.036 1.473 1.00 0.00 C ATOM 1601 O GLY A 103 -11.424 -12.539 0.628 1.00 0.00 O ATOM 0 H GLY A 103 -11.257 -14.525 4.056 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -10.833 -14.691 1.846 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -12.492 -15.161 1.535 1.00 0.00 H new ATOM 1605 N ALA A 104 -13.206 -12.362 1.946 1.00 0.00 N ATOM 1606 CA ALA A 104 -13.472 -10.977 1.594 1.00 0.00 C ATOM 1607 C ALA A 104 -12.514 -10.074 2.364 1.00 0.00 C ATOM 1608 O ALA A 104 -12.563 -10.018 3.595 1.00 0.00 O ATOM 1609 CB ALA A 104 -14.935 -10.637 1.875 1.00 0.00 C ATOM 0 H ALA A 104 -13.892 -12.766 2.584 1.00 0.00 H new ATOM 0 HA ALA A 104 -13.305 -10.819 0.529 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -15.125 -9.597 1.608 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -15.580 -11.287 1.283 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -15.146 -10.784 2.934 1.00 0.00 H new ATOM 1615 N VAL A 105 -11.631 -9.410 1.620 1.00 0.00 N ATOM 1616 CA VAL A 105 -10.711 -8.405 2.143 1.00 0.00 C ATOM 1617 C VAL A 105 -11.461 -7.395 3.013 1.00 0.00 C ATOM 1618 O VAL A 105 -12.611 -7.053 2.738 1.00 0.00 O ATOM 1619 CB VAL A 105 -9.953 -7.706 0.992 1.00 0.00 C ATOM 1620 CG1 VAL A 105 -9.264 -8.721 0.058 1.00 0.00 C ATOM 1621 CG2 VAL A 105 -10.762 -6.694 0.162 1.00 0.00 C ATOM 0 H VAL A 105 -11.534 -9.560 0.616 1.00 0.00 H new ATOM 0 HA VAL A 105 -9.971 -8.903 2.770 1.00 0.00 H new ATOM 0 HB VAL A 105 -9.206 -7.112 1.517 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -8.743 -8.188 -0.737 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -8.548 -9.313 0.628 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -10.014 -9.381 -0.378 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -10.126 -6.269 -0.614 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -11.611 -7.198 -0.300 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -11.123 -5.897 0.812 1.00 0.00 H new ATOM 1631 N GLN A 106 -10.788 -6.880 4.037 1.00 0.00 N ATOM 1632 CA GLN A 106 -11.377 -5.869 4.919 1.00 0.00 C ATOM 1633 C GLN A 106 -10.805 -4.474 4.695 1.00 0.00 C ATOM 1634 O GLN A 106 -11.107 -3.597 5.490 1.00 0.00 O ATOM 1635 CB GLN A 106 -11.294 -6.320 6.387 1.00 0.00 C ATOM 1636 CG GLN A 106 -9.882 -6.230 6.982 1.00 0.00 C ATOM 1637 CD GLN A 106 -9.869 -6.361 8.501 1.00 0.00 C ATOM 1638 OE1 GLN A 106 -10.568 -7.148 9.117 1.00 0.00 O ATOM 1639 NE2 GLN A 106 -9.029 -5.602 9.166 1.00 0.00 N ATOM 0 H GLN A 106 -9.833 -7.144 4.280 1.00 0.00 H new ATOM 0 HA GLN A 106 -12.432 -5.783 4.658 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -11.970 -5.708 6.984 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -11.645 -7.349 6.462 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -9.260 -7.014 6.549 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -9.435 -5.277 6.701 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -8.437 -4.938 8.667 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -8.969 -5.676 10.182 1.00 0.00 H new ATOM 1648 N TYR A 107 -9.951 -4.289 3.673 1.00 0.00 N ATOM 1649 CA TYR A 107 -9.197 -3.051 3.447 1.00 0.00 C ATOM 1650 C TYR A 107 -8.712 -2.453 4.774 1.00 0.00 C ATOM 1651 O TYR A 107 -9.096 -1.361 5.173 1.00 0.00 O ATOM 1652 CB TYR A 107 -10.086 -2.102 2.646 1.00 0.00 C ATOM 1653 CG TYR A 107 -9.558 -0.699 2.483 1.00 0.00 C ATOM 1654 CD1 TYR A 107 -8.389 -0.508 1.745 1.00 0.00 C ATOM 1655 CD2 TYR A 107 -10.149 0.378 3.173 1.00 0.00 C ATOM 1656 CE1 TYR A 107 -7.813 0.767 1.692 1.00 0.00 C ATOM 1657 CE2 TYR A 107 -9.525 1.640 3.181 1.00 0.00 C ATOM 1658 CZ TYR A 107 -8.359 1.842 2.418 1.00 0.00 C ATOM 1659 OH TYR A 107 -7.776 3.068 2.356 1.00 0.00 O ATOM 0 H TYR A 107 -9.765 -5.007 2.973 1.00 0.00 H new ATOM 0 HA TYR A 107 -8.291 -3.245 2.873 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -10.244 -2.529 1.656 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -11.061 -2.050 3.130 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -7.934 -1.335 1.220 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -11.083 0.235 3.697 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -6.935 0.928 1.084 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -9.938 2.447 3.768 1.00 0.00 H new ATOM 0 HH TYR A 107 -8.278 3.698 2.914 1.00 0.00 H new ATOM 1669 N CYS A 108 -7.898 -3.220 5.503 1.00 0.00 N ATOM 1670 CA CYS A 108 -7.344 -2.779 6.781 1.00 0.00 C ATOM 1671 C CYS A 108 -6.808 -1.334 6.739 1.00 0.00 C ATOM 1672 O CYS A 108 -6.956 -0.583 7.702 1.00 0.00 O ATOM 1673 CB CYS A 108 -6.228 -3.736 7.197 1.00 0.00 C ATOM 1674 SG CYS A 108 -5.655 -3.364 8.866 1.00 0.00 S ATOM 0 H CYS A 108 -7.607 -4.157 5.225 1.00 0.00 H new ATOM 0 HA CYS A 108 -8.154 -2.789 7.511 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -6.588 -4.764 7.152 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -5.397 -3.659 6.496 1.00 0.00 H new ATOM 1679 N GLY A 109 -6.224 -0.957 5.604 1.00 0.00 N ATOM 1680 CA GLY A 109 -5.888 0.408 5.250 1.00 0.00 C ATOM 1681 C GLY A 109 -4.686 0.425 4.324 1.00 0.00 C ATOM 1682 O GLY A 109 -4.038 -0.584 4.094 1.00 0.00 O ATOM 0 H GLY A 109 -5.964 -1.627 4.880 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -6.738 0.886 4.764 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.671 0.983 6.150 1.00 0.00 H new ATOM 1686 N VAL A 110 -4.353 1.582 3.782 1.00 0.00 N ATOM 1687 CA VAL A 110 -3.154 1.731 2.946 1.00 0.00 C ATOM 1688 C VAL A 110 -1.957 2.117 3.798 1.00 0.00 C ATOM 1689 O VAL A 110 -2.118 2.757 4.828 1.00 0.00 O ATOM 1690 CB VAL A 110 -3.368 2.791 1.855 1.00 0.00 C ATOM 1691 CG1 VAL A 110 -2.634 2.415 0.576 1.00 0.00 C ATOM 1692 CG2 VAL A 110 -4.830 3.007 1.485 1.00 0.00 C ATOM 0 H VAL A 110 -4.891 2.440 3.900 1.00 0.00 H new ATOM 0 HA VAL A 110 -2.963 0.770 2.468 1.00 0.00 H new ATOM 0 HB VAL A 110 -2.977 3.712 2.287 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -2.803 3.183 -0.179 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -1.566 2.335 0.780 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -3.007 1.458 0.210 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -4.900 3.769 0.709 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -5.254 2.073 1.116 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -5.384 3.333 2.365 1.00 0.00 H new ATOM 1702 N MET A 111 -0.744 1.807 3.355 1.00 0.00 N ATOM 1703 CA MET A 111 0.496 2.176 4.040 1.00 0.00 C ATOM 1704 C MET A 111 1.507 2.739 3.069 1.00 0.00 C ATOM 1705 O MET A 111 1.564 2.319 1.922 1.00 0.00 O ATOM 1706 CB MET A 111 1.099 0.978 4.781 1.00 0.00 C ATOM 1707 CG MET A 111 1.467 -0.182 3.845 1.00 0.00 C ATOM 1708 SD MET A 111 2.040 -1.650 4.713 1.00 0.00 S ATOM 1709 CE MET A 111 2.341 -2.768 3.319 1.00 0.00 C ATOM 0 H MET A 111 -0.589 1.283 2.494 1.00 0.00 H new ATOM 0 HA MET A 111 0.245 2.946 4.770 1.00 0.00 H new ATOM 0 HB2 MET A 111 1.991 1.301 5.318 1.00 0.00 H new ATOM 0 HB3 MET A 111 0.388 0.624 5.527 1.00 0.00 H new ATOM 0 HG2 MET A 111 0.597 -0.442 3.242 1.00 0.00 H new ATOM 0 HG3 MET A 111 2.244 0.150 3.156 1.00 0.00 H new ATOM 0 HE1 MET A 111 2.442 -3.789 3.687 1.00 0.00 H new ATOM 0 HE2 MET A 111 1.505 -2.714 2.622 1.00 0.00 H new ATOM 0 HE3 MET A 111 3.258 -2.474 2.809 1.00 0.00 H new ATOM 1719 N THR A 112 2.347 3.653 3.526 1.00 0.00 N ATOM 1720 CA THR A 112 3.417 4.233 2.736 1.00 0.00 C ATOM 1721 C THR A 112 4.701 4.248 3.524 1.00 0.00 C ATOM 1722 O THR A 112 4.703 4.550 4.702 1.00 0.00 O ATOM 1723 CB THR A 112 3.061 5.646 2.283 1.00 0.00 C ATOM 1724 OG1 THR A 112 3.930 5.919 1.208 1.00 0.00 O ATOM 1725 CG2 THR A 112 3.214 6.754 3.319 1.00 0.00 C ATOM 0 H THR A 112 2.302 4.019 4.477 1.00 0.00 H new ATOM 0 HA THR A 112 3.553 3.615 1.848 1.00 0.00 H new ATOM 0 HB THR A 112 1.998 5.652 2.044 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.753 6.820 0.864 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.931 7.709 2.875 1.00 0.00 H new ATOM 0 HG22 THR A 112 2.569 6.545 4.173 1.00 0.00 H new ATOM 0 HG23 THR A 112 4.251 6.802 3.650 1.00 0.00 H new ATOM 1733 N HIS A 113 5.824 4.041 2.846 1.00 0.00 N ATOM 1734 CA HIS A 113 7.159 4.060 3.466 1.00 0.00 C ATOM 1735 C HIS A 113 7.504 5.410 4.125 1.00 0.00 C ATOM 1736 O HIS A 113 8.569 5.597 4.696 1.00 0.00 O ATOM 1737 CB HIS A 113 8.225 3.823 2.407 1.00 0.00 C ATOM 1738 CG HIS A 113 8.199 2.548 1.607 1.00 0.00 C ATOM 1739 ND1 HIS A 113 9.266 1.990 0.923 1.00 0.00 N ATOM 1740 CD2 HIS A 113 7.116 1.761 1.388 1.00 0.00 C ATOM 1741 CE1 HIS A 113 8.800 0.936 0.233 1.00 0.00 C ATOM 1742 NE2 HIS A 113 7.493 0.785 0.497 1.00 0.00 N ATOM 0 H HIS A 113 5.842 3.853 1.844 1.00 0.00 H new ATOM 0 HA HIS A 113 7.139 3.280 4.227 1.00 0.00 H new ATOM 0 HB2 HIS A 113 8.176 4.653 1.702 1.00 0.00 H new ATOM 0 HB3 HIS A 113 9.195 3.880 2.900 1.00 0.00 H new ATOM 0 HD2 HIS A 113 6.139 1.880 1.832 1.00 0.00 H new ATOM 0 HE1 HIS A 113 9.383 0.311 -0.427 1.00 0.00 H new ATOM 0 HE2 HIS A 113 6.883 0.068 0.103 1.00 0.00 H new ATOM 1751 N SER A 114 6.731 6.443 3.775 1.00 0.00 N ATOM 1752 CA SER A 114 6.793 7.778 4.366 1.00 0.00 C ATOM 1753 C SER A 114 8.117 8.501 4.105 1.00 0.00 C ATOM 1754 O SER A 114 8.570 9.363 4.858 1.00 0.00 O ATOM 1755 CB SER A 114 6.414 7.692 5.835 1.00 0.00 C ATOM 1756 OG SER A 114 6.216 8.983 6.339 1.00 0.00 O ATOM 0 H SER A 114 6.021 6.367 3.047 1.00 0.00 H new ATOM 0 HA SER A 114 6.062 8.413 3.866 1.00 0.00 H new ATOM 0 HB2 SER A 114 5.507 7.100 5.954 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.200 7.187 6.396 1.00 0.00 H new ATOM 0 HG SER A 114 6.959 9.559 6.064 1.00 0.00 H new ATOM 1762 N LYS A 115 8.752 8.169 2.974 1.00 0.00 N ATOM 1763 CA LYS A 115 10.093 8.645 2.632 1.00 0.00 C ATOM 1764 C LYS A 115 10.312 8.810 1.147 1.00 0.00 C ATOM 1765 O LYS A 115 10.645 7.842 0.467 1.00 0.00 O ATOM 1766 CB LYS A 115 11.135 7.670 3.193 1.00 0.00 C ATOM 1767 CG LYS A 115 11.660 8.106 4.552 1.00 0.00 C ATOM 1768 CD LYS A 115 12.466 9.409 4.571 1.00 0.00 C ATOM 1769 CE LYS A 115 13.934 9.125 4.245 1.00 0.00 C ATOM 1770 NZ LYS A 115 14.183 9.165 2.783 1.00 0.00 N ATOM 0 H LYS A 115 8.344 7.558 2.267 1.00 0.00 H new ATOM 0 HA LYS A 115 10.199 9.634 3.078 1.00 0.00 H new ATOM 0 HB2 LYS A 115 10.692 6.678 3.278 1.00 0.00 H new ATOM 0 HB3 LYS A 115 11.967 7.589 2.494 1.00 0.00 H new ATOM 0 HG2 LYS A 115 10.813 8.215 5.229 1.00 0.00 H new ATOM 0 HG3 LYS A 115 12.286 7.308 4.951 1.00 0.00 H new ATOM 0 HD2 LYS A 115 12.054 10.111 3.846 1.00 0.00 H new ATOM 0 HD3 LYS A 115 12.388 9.880 5.551 1.00 0.00 H new ATOM 0 HE2 LYS A 115 14.567 9.859 4.743 1.00 0.00 H new ATOM 0 HE3 LYS A 115 14.212 8.146 4.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 15.160 9.475 2.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 14.042 8.216 2.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 13.522 9.832 2.336 1.00 0.00 H new ATOM 1784 N VAL A 116 10.211 10.024 0.645 1.00 0.00 N ATOM 1785 CA VAL A 116 10.330 10.297 -0.780 1.00 0.00 C ATOM 1786 C VAL A 116 11.079 11.604 -0.962 1.00 0.00 C ATOM 1787 O VAL A 116 10.534 12.635 -0.653 1.00 0.00 O ATOM 1788 CB VAL A 116 8.934 10.320 -1.432 1.00 0.00 C ATOM 1789 CG1 VAL A 116 8.224 8.962 -1.276 1.00 0.00 C ATOM 1790 CG2 VAL A 116 7.947 11.373 -0.918 1.00 0.00 C ATOM 0 H VAL A 116 10.043 10.855 1.213 1.00 0.00 H new ATOM 0 HA VAL A 116 10.895 9.509 -1.278 1.00 0.00 H new ATOM 0 HB VAL A 116 9.173 10.571 -2.465 1.00 0.00 H new ATOM 0 HG11 VAL A 116 7.242 9.009 -1.746 1.00 0.00 H new ATOM 0 HG12 VAL A 116 8.818 8.184 -1.755 1.00 0.00 H new ATOM 0 HG13 VAL A 116 8.109 8.731 -0.217 1.00 0.00 H new ATOM 0 HG21 VAL A 116 7.004 11.282 -1.458 1.00 0.00 H new ATOM 0 HG22 VAL A 116 7.772 11.218 0.147 1.00 0.00 H new ATOM 0 HG23 VAL A 116 8.362 12.368 -1.076 1.00 0.00 H new ATOM 1800 N ASP A 117 12.346 11.562 -1.364 1.00 0.00 N ATOM 1801 CA ASP A 117 13.136 12.797 -1.551 1.00 0.00 C ATOM 1802 C ASP A 117 13.308 13.082 -3.048 1.00 0.00 C ATOM 1803 O ASP A 117 12.544 13.815 -3.663 1.00 0.00 O ATOM 1804 CB ASP A 117 14.456 12.670 -0.773 1.00 0.00 C ATOM 1805 CG ASP A 117 15.043 14.003 -0.337 1.00 0.00 C ATOM 1806 OD1 ASP A 117 14.944 14.950 -1.137 1.00 0.00 O ATOM 1807 OD2 ASP A 117 15.685 13.948 0.736 1.00 0.00 O ATOM 0 H ASP A 117 12.853 10.700 -1.567 1.00 0.00 H new ATOM 0 HA ASP A 117 12.619 13.666 -1.143 1.00 0.00 H new ATOM 0 HB2 ASP A 117 14.289 12.052 0.109 1.00 0.00 H new ATOM 0 HB3 ASP A 117 15.184 12.149 -1.394 1.00 0.00 H new ATOM 1812 N LYS A 118 14.229 12.345 -3.676 1.00 0.00 N ATOM 1813 CA LYS A 118 14.518 12.408 -5.115 1.00 0.00 C ATOM 1814 C LYS A 118 13.759 11.365 -5.933 1.00 0.00 C ATOM 1815 O LYS A 118 13.783 11.385 -7.158 1.00 0.00 O ATOM 1816 CB LYS A 118 16.034 12.299 -5.319 1.00 0.00 C ATOM 1817 CG LYS A 118 16.759 13.543 -4.780 1.00 0.00 C ATOM 1818 CD LYS A 118 18.249 13.476 -5.130 1.00 0.00 C ATOM 1819 CE LYS A 118 18.968 14.722 -4.604 1.00 0.00 C ATOM 1820 NZ LYS A 118 20.395 14.727 -5.011 1.00 0.00 N ATOM 0 H LYS A 118 14.812 11.668 -3.184 1.00 0.00 H new ATOM 0 HA LYS A 118 14.163 13.368 -5.490 1.00 0.00 H new ATOM 0 HB2 LYS A 118 16.408 11.409 -4.813 1.00 0.00 H new ATOM 0 HB3 LYS A 118 16.253 12.179 -6.380 1.00 0.00 H new ATOM 0 HG2 LYS A 118 16.317 14.444 -5.206 1.00 0.00 H new ATOM 0 HG3 LYS A 118 16.634 13.607 -3.699 1.00 0.00 H new ATOM 0 HD2 LYS A 118 18.693 12.580 -4.696 1.00 0.00 H new ATOM 0 HD3 LYS A 118 18.374 13.403 -6.210 1.00 0.00 H new ATOM 0 HE2 LYS A 118 18.475 15.617 -4.983 1.00 0.00 H new ATOM 0 HE3 LYS A 118 18.897 14.755 -3.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 20.858 15.582 -4.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 20.868 13.884 -4.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 20.460 14.719 -6.049 1.00 0.00 H new ATOM 1834 N ASN A 119 13.090 10.432 -5.253 1.00 0.00 N ATOM 1835 CA ASN A 119 12.364 9.318 -5.843 1.00 0.00 C ATOM 1836 C ASN A 119 11.255 8.868 -4.893 1.00 0.00 C ATOM 1837 O ASN A 119 11.521 8.412 -3.773 1.00 0.00 O ATOM 1838 CB ASN A 119 13.325 8.152 -6.145 1.00 0.00 C ATOM 1839 CG ASN A 119 14.337 8.486 -7.220 1.00 0.00 C ATOM 1840 OD1 ASN A 119 15.504 8.702 -6.952 1.00 0.00 O ATOM 1841 ND2 ASN A 119 13.895 8.540 -8.453 1.00 0.00 N ATOM 0 H ASN A 119 13.040 10.437 -4.234 1.00 0.00 H new ATOM 0 HA ASN A 119 11.915 9.641 -6.783 1.00 0.00 H new ATOM 0 HB2 ASN A 119 13.851 7.875 -5.231 1.00 0.00 H new ATOM 0 HB3 ASN A 119 12.746 7.282 -6.456 1.00 0.00 H new ATOM 0 HD21 ASN A 119 14.534 8.767 -9.214 1.00 0.00 H new ATOM 0 HD22 ASN A 119 12.912 8.355 -8.651 1.00 0.00 H new ATOM 1848 N ASN A 120 10.006 8.967 -5.354 1.00 0.00 N ATOM 1849 CA ASN A 120 8.819 8.516 -4.631 1.00 0.00 C ATOM 1850 C ASN A 120 8.713 6.983 -4.655 1.00 0.00 C ATOM 1851 O ASN A 120 7.785 6.406 -5.212 1.00 0.00 O ATOM 1852 CB ASN A 120 7.524 9.195 -5.140 1.00 0.00 C ATOM 1853 CG ASN A 120 7.713 10.585 -5.708 1.00 0.00 C ATOM 1854 OD1 ASN A 120 8.275 11.465 -5.093 1.00 0.00 O ATOM 1855 ND2 ASN A 120 7.291 10.783 -6.935 1.00 0.00 N ATOM 0 H ASN A 120 9.789 9.374 -6.264 1.00 0.00 H new ATOM 0 HA ASN A 120 8.934 8.826 -3.592 1.00 0.00 H new ATOM 0 HB2 ASN A 120 7.077 8.563 -5.907 1.00 0.00 H new ATOM 0 HB3 ASN A 120 6.812 9.249 -4.317 1.00 0.00 H new ATOM 0 HD21 ASN A 120 7.434 11.688 -7.384 1.00 0.00 H new ATOM 0 HD22 ASN A 120 6.820 10.032 -7.440 1.00 0.00 H new ATOM 1862 N GLN A 121 9.696 6.310 -4.069 1.00 0.00 N ATOM 1863 CA GLN A 121 9.754 4.851 -3.963 1.00 0.00 C ATOM 1864 C GLN A 121 9.634 4.398 -2.516 1.00 0.00 C ATOM 1865 O GLN A 121 9.227 3.266 -2.262 1.00 0.00 O ATOM 1866 CB GLN A 121 11.064 4.362 -4.587 1.00 0.00 C ATOM 1867 CG GLN A 121 11.228 2.837 -4.469 1.00 0.00 C ATOM 1868 CD GLN A 121 12.568 2.381 -4.998 1.00 0.00 C ATOM 1869 OE1 GLN A 121 12.657 1.678 -5.982 1.00 0.00 O ATOM 1870 NE2 GLN A 121 13.642 2.756 -4.339 1.00 0.00 N ATOM 0 H GLN A 121 10.498 6.773 -3.642 1.00 0.00 H new ATOM 0 HA GLN A 121 8.912 4.417 -4.502 1.00 0.00 H new ATOM 0 HB2 GLN A 121 11.094 4.649 -5.638 1.00 0.00 H new ATOM 0 HB3 GLN A 121 11.904 4.855 -4.098 1.00 0.00 H new ATOM 0 HG2 GLN A 121 11.127 2.539 -3.425 1.00 0.00 H new ATOM 0 HG3 GLN A 121 10.430 2.340 -5.021 1.00 0.00 H new ATOM 0 HE21 GLN A 121 13.553 3.347 -3.513 1.00 0.00 H new ATOM 0 HE22 GLN A 121 14.564 2.455 -4.654 1.00 0.00 H new ATOM 1879 N GLY A 122 9.963 5.275 -1.566 1.00 0.00 N ATOM 1880 CA GLY A 122 9.950 4.944 -0.158 1.00 0.00 C ATOM 1881 C GLY A 122 11.255 4.343 0.336 1.00 0.00 C ATOM 1882 O GLY A 122 11.890 3.562 -0.373 1.00 0.00 O ATOM 0 H GLY A 122 10.245 6.235 -1.762 1.00 0.00 H new ATOM 0 HA2 GLY A 122 9.734 5.845 0.417 1.00 0.00 H new ATOM 0 HA3 GLY A 122 9.140 4.241 0.034 1.00 0.00 H new ATOM 1886 N LYS A 123 11.606 4.632 1.591 1.00 0.00 N ATOM 1887 CA LYS A 123 12.853 4.168 2.221 1.00 0.00 C ATOM 1888 C LYS A 123 12.675 3.675 3.652 1.00 0.00 C ATOM 1889 O LYS A 123 13.020 2.535 3.908 1.00 0.00 O ATOM 1890 CB LYS A 123 13.933 5.255 2.192 1.00 0.00 C ATOM 1891 CG LYS A 123 14.150 5.871 0.802 1.00 0.00 C ATOM 1892 CD LYS A 123 15.571 6.425 0.660 1.00 0.00 C ATOM 1893 CE LYS A 123 16.566 5.272 0.451 1.00 0.00 C ATOM 1894 NZ LYS A 123 17.974 5.740 0.483 1.00 0.00 N ATOM 0 H LYS A 123 11.028 5.201 2.209 1.00 0.00 H new ATOM 0 HA LYS A 123 13.169 3.314 1.622 1.00 0.00 H new ATOM 0 HB2 LYS A 123 13.660 6.045 2.891 1.00 0.00 H new ATOM 0 HB3 LYS A 123 14.874 4.830 2.542 1.00 0.00 H new ATOM 0 HG2 LYS A 123 13.972 5.117 0.035 1.00 0.00 H new ATOM 0 HG3 LYS A 123 13.427 6.670 0.638 1.00 0.00 H new ATOM 0 HD2 LYS A 123 15.619 7.115 -0.183 1.00 0.00 H new ATOM 0 HD3 LYS A 123 15.840 6.992 1.551 1.00 0.00 H new ATOM 0 HE2 LYS A 123 16.416 4.519 1.225 1.00 0.00 H new ATOM 0 HE3 LYS A 123 16.366 4.789 -0.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 18.612 4.932 0.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 18.125 6.439 -0.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 18.174 6.178 1.405 1.00 0.00 H new ATOM 1908 N GLU A 124 12.212 4.559 4.537 1.00 0.00 N ATOM 1909 CA GLU A 124 11.846 4.206 5.915 1.00 0.00 C ATOM 1910 C GLU A 124 10.780 3.108 5.948 1.00 0.00 C ATOM 1911 O GLU A 124 10.241 2.706 4.905 1.00 0.00 O ATOM 1912 CB GLU A 124 11.363 5.463 6.667 1.00 0.00 C ATOM 1913 CG GLU A 124 12.538 6.260 7.267 1.00 0.00 C ATOM 1914 CD GLU A 124 13.128 5.633 8.533 1.00 0.00 C ATOM 1915 OE1 GLU A 124 12.425 4.821 9.172 1.00 0.00 O ATOM 1916 OE2 GLU A 124 14.313 5.944 8.784 1.00 0.00 O ATOM 0 H GLU A 124 12.079 5.547 4.319 1.00 0.00 H new ATOM 0 HA GLU A 124 12.731 3.812 6.415 1.00 0.00 H new ATOM 0 HB2 GLU A 124 10.802 6.101 5.984 1.00 0.00 H new ATOM 0 HB3 GLU A 124 10.679 5.169 7.463 1.00 0.00 H new ATOM 0 HG2 GLU A 124 13.324 6.350 6.517 1.00 0.00 H new ATOM 0 HG3 GLU A 124 12.200 7.270 7.497 1.00 0.00 H new ATOM 1923 N PHE A 125 10.515 2.634 7.163 1.00 0.00 N ATOM 1924 CA PHE A 125 9.473 1.655 7.428 1.00 0.00 C ATOM 1925 C PHE A 125 8.119 2.074 6.838 1.00 0.00 C ATOM 1926 O PHE A 125 7.877 3.220 6.450 1.00 0.00 O ATOM 1927 CB PHE A 125 9.360 1.399 8.939 1.00 0.00 C ATOM 1928 CG PHE A 125 8.462 2.373 9.684 1.00 0.00 C ATOM 1929 CD1 PHE A 125 8.785 3.741 9.725 1.00 0.00 C ATOM 1930 CD2 PHE A 125 7.270 1.923 10.288 1.00 0.00 C ATOM 1931 CE1 PHE A 125 7.954 4.638 10.409 1.00 0.00 C ATOM 1932 CE2 PHE A 125 6.415 2.832 10.937 1.00 0.00 C ATOM 1933 CZ PHE A 125 6.769 4.189 11.013 1.00 0.00 C ATOM 0 H PHE A 125 11.025 2.924 7.997 1.00 0.00 H new ATOM 0 HA PHE A 125 9.757 0.727 6.932 1.00 0.00 H new ATOM 0 HB2 PHE A 125 8.984 0.388 9.095 1.00 0.00 H new ATOM 0 HB3 PHE A 125 10.358 1.439 9.376 1.00 0.00 H new ATOM 0 HD1 PHE A 125 9.674 4.101 9.229 1.00 0.00 H new ATOM 0 HD2 PHE A 125 7.012 0.875 10.252 1.00 0.00 H new ATOM 0 HE1 PHE A 125 8.227 5.681 10.472 1.00 0.00 H new ATOM 0 HE2 PHE A 125 5.490 2.488 11.375 1.00 0.00 H new ATOM 0 HZ PHE A 125 6.130 4.886 11.535 1.00 0.00 H new ATOM 1943 N PHE A 126 7.203 1.120 6.765 1.00 0.00 N ATOM 1944 CA PHE A 126 5.874 1.381 6.249 1.00 0.00 C ATOM 1945 C PHE A 126 5.017 2.035 7.328 1.00 0.00 C ATOM 1946 O PHE A 126 4.842 1.527 8.428 1.00 0.00 O ATOM 1947 CB PHE A 126 5.274 0.082 5.733 1.00 0.00 C ATOM 1948 CG PHE A 126 5.973 -0.488 4.522 1.00 0.00 C ATOM 1949 CD1 PHE A 126 7.204 -1.154 4.662 1.00 0.00 C ATOM 1950 CD2 PHE A 126 5.369 -0.396 3.259 1.00 0.00 C ATOM 1951 CE1 PHE A 126 7.852 -1.689 3.539 1.00 0.00 C ATOM 1952 CE2 PHE A 126 5.974 -1.006 2.149 1.00 0.00 C ATOM 1953 CZ PHE A 126 7.233 -1.626 2.281 1.00 0.00 C ATOM 0 H PHE A 126 7.360 0.156 7.059 1.00 0.00 H new ATOM 0 HA PHE A 126 5.919 2.079 5.413 1.00 0.00 H new ATOM 0 HB2 PHE A 126 5.297 -0.658 6.533 1.00 0.00 H new ATOM 0 HB3 PHE A 126 4.226 0.252 5.486 1.00 0.00 H new ATOM 0 HD1 PHE A 126 7.653 -1.254 5.639 1.00 0.00 H new ATOM 0 HD2 PHE A 126 4.441 0.143 3.141 1.00 0.00 H new ATOM 0 HE1 PHE A 126 8.824 -2.148 3.642 1.00 0.00 H new ATOM 0 HE2 PHE A 126 5.474 -1.000 1.192 1.00 0.00 H new ATOM 0 HZ PHE A 126 7.720 -2.052 1.416 1.00 0.00 H new ATOM 1963 N GLU A 127 4.420 3.166 7.001 1.00 0.00 N ATOM 1964 CA GLU A 127 3.551 3.939 7.864 1.00 0.00 C ATOM 1965 C GLU A 127 2.173 3.952 7.224 1.00 0.00 C ATOM 1966 O GLU A 127 1.982 4.502 6.137 1.00 0.00 O ATOM 1967 CB GLU A 127 4.075 5.358 8.125 1.00 0.00 C ATOM 1968 CG GLU A 127 5.606 5.449 8.195 1.00 0.00 C ATOM 1969 CD GLU A 127 6.082 6.651 9.037 1.00 0.00 C ATOM 1970 OE1 GLU A 127 5.409 6.937 10.060 1.00 0.00 O ATOM 1971 OE2 GLU A 127 7.131 7.242 8.691 1.00 0.00 O ATOM 0 H GLU A 127 4.535 3.590 6.080 1.00 0.00 H new ATOM 0 HA GLU A 127 3.511 3.475 8.849 1.00 0.00 H new ATOM 0 HB2 GLU A 127 3.717 6.019 7.336 1.00 0.00 H new ATOM 0 HB3 GLU A 127 3.655 5.724 9.062 1.00 0.00 H new ATOM 0 HG2 GLU A 127 6.004 4.528 8.622 1.00 0.00 H new ATOM 0 HG3 GLU A 127 6.010 5.532 7.186 1.00 0.00 H new ATOM 1978 N LYS A 128 1.208 3.297 7.873 1.00 0.00 N ATOM 1979 CA LYS A 128 -0.211 3.401 7.519 1.00 0.00 C ATOM 1980 C LYS A 128 -0.556 4.848 7.160 1.00 0.00 C ATOM 1981 O LYS A 128 -0.241 5.761 7.920 1.00 0.00 O ATOM 1982 CB LYS A 128 -1.110 2.833 8.619 1.00 0.00 C ATOM 1983 CG LYS A 128 -0.825 3.390 10.024 1.00 0.00 C ATOM 1984 CD LYS A 128 -1.745 4.548 10.438 1.00 0.00 C ATOM 1985 CE LYS A 128 -3.145 4.063 10.811 1.00 0.00 C ATOM 1986 NZ LYS A 128 -4.017 5.201 11.189 1.00 0.00 N ATOM 0 H LYS A 128 1.389 2.677 8.662 1.00 0.00 H new ATOM 0 HA LYS A 128 -0.399 2.789 6.637 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -2.150 3.039 8.364 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -0.996 1.749 8.641 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -0.925 2.583 10.750 1.00 0.00 H new ATOM 0 HG3 LYS A 128 0.210 3.730 10.065 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -1.306 5.074 11.286 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -1.816 5.265 9.620 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -3.584 3.527 9.970 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -3.081 3.358 11.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -4.962 4.846 11.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -3.607 5.696 12.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -4.095 5.860 10.388 1.00 0.00 H new ATOM 2000 N CYS A 129 -1.137 5.033 5.985 1.00 0.00 N ATOM 2001 CA CYS A 129 -1.672 6.298 5.521 1.00 0.00 C ATOM 2002 C CYS A 129 -2.785 6.797 6.471 1.00 0.00 C ATOM 2003 O CYS A 129 -3.180 6.094 7.413 1.00 0.00 O ATOM 2004 CB CYS A 129 -2.188 6.086 4.094 1.00 0.00 C ATOM 2005 SG CYS A 129 -2.176 7.542 3.052 1.00 0.00 S ATOM 0 H CYS A 129 -1.252 4.279 5.307 1.00 0.00 H new ATOM 0 HA CYS A 129 -0.902 7.069 5.517 1.00 0.00 H new ATOM 0 HB2 CYS A 129 -1.584 5.314 3.618 1.00 0.00 H new ATOM 0 HB3 CYS A 129 -3.208 5.706 4.147 1.00 0.00 H new ATOM 2010 N ASP A 130 -3.296 7.998 6.209 1.00 0.00 N ATOM 2011 CA ASP A 130 -4.358 8.686 6.963 1.00 0.00 C ATOM 2012 C ASP A 130 -5.068 9.717 6.082 1.00 0.00 C ATOM 2013 O ASP A 130 -4.400 10.201 5.139 1.00 0.00 O ATOM 2014 CB ASP A 130 -3.711 9.374 8.182 1.00 0.00 C ATOM 2015 CG ASP A 130 -4.633 10.143 9.158 1.00 0.00 C ATOM 2016 OD1 ASP A 130 -5.721 9.628 9.500 1.00 0.00 O ATOM 2017 OD2 ASP A 130 -4.112 11.119 9.777 1.00 0.00 O ATOM 2018 OXT ASP A 130 -6.271 9.956 6.293 1.00 0.00 O ATOM 0 H ASP A 130 -2.965 8.555 5.421 1.00 0.00 H new ATOM 0 HA ASP A 130 -5.106 7.964 7.291 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -3.182 8.611 8.754 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -2.961 10.072 7.812 1.00 0.00 H new TER 2023 ASP A 130