USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 667 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 62 THR OG1 : rot -78:sc= 2.13 USER MOD Set 1.2: A 95 CYS SG : rot 128:sc= 0.0821 USER MOD Set 2.1: A 36 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 74 SER OG : rot 180:sc= -0.116 USER MOD Set 3.1: A 48 ASN : amide:sc= -0.206 X(o=-3.2,f=-3.5) USER MOD Set 3.2: A 73 ASN : amide:sc= -3.01! C(o=-3.2!,f=-5.4!) USER MOD Set 4.1: A 59 CYS SG : rot 180:sc= -6.17! USER MOD Set 4.2: A 79 CYS SG : rot 95:sc= -1.82! USER MOD Set 5.1: A 56 ASN : amide:sc= -2.53! C(o=-7.2!,f=-13!) USER MOD Set 5.2: A 65 CYS SG : rot -118:sc= -4.72! USER MOD Set 6.1: A 51 THR OG1 : rot 180:sc= 0.0265 USER MOD Set 6.2: A 52 CYS SG : rot 180:sc= -0.41 USER MOD Set 6.3: A 67 ASN : amide:sc= -0.37 X(o=-0.75,f=-1.1!) USER MOD Set 7.1: A 8 CYS SG : rot 13:sc= 1.5 USER MOD Set 7.2: A 20 CYS SG : rot 88:sc= 0.489 USER MOD Set 7.3: A 89 TYR OH : rot -112:sc= 1.01 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 HIS : no HD1:sc= -4.53 K(o=-4.5,f=-5.5!) USER MOD Single : A 11 THR OG1 : rot 20:sc= 0.628 USER MOD Single : A 16 LYS NZ :NH3+ -140:sc= -1.25 (180deg=-3.41!) USER MOD Single : A 17 ASN : amide:sc= 0.511 K(o=0.51,f=-0.047) USER MOD Single : A 27 THR OG1 : rot 64:sc= 1.29 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 1.54 (180deg=1.54) USER MOD Single : A 32 CYS SG : rot -104:sc= -5.52! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -157:sc= -0.167 (180deg=-0.703) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 43 THR OG1 : rot 50:sc= -1.15 USER MOD Single : A 44 CYS SG : rot -145:sc= -13.7! USER MOD Single : A 47 ASN : amide:sc= -0.946 K(o=-0.95,f=-2.2) USER MOD Single : A 49 ASN : amide:sc=-0.00774 K(o=-0.0077,f=-0.94) USER MOD Single : A 55 ASN : amide:sc= -5.25! K(o=-5.3!,f=-1.8) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0122 USER MOD Single : A 66 GLN : amide:sc= -1.52! K(o=-1.5!,f=-0.083) USER MOD Single : A 70 SER OG : rot 45:sc= 0.407 USER MOD Single : A 71 THR OG1 : rot 31:sc= 1.24 USER MOD Single : A 75 LYS NZ :NH3+ -169:sc= 0.747 (180deg=0.663) USER MOD Single : A 76 LYS NZ :NH3+ -160:sc= 1.08 (180deg=0.0964) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 CYS SG : rot 175:sc= -2.79! USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot -9:sc= 1.38 USER MOD Single : A 87 ASN : amide:sc= -2.3! C(o=-2.3!,f=-11!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 155:sc= 0.642 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 26 N ASP A 3 -11.168 -8.376 3.837 1.00 0.00 N ATOM 27 CA ASP A 3 -11.584 -8.597 2.470 1.00 0.00 C ATOM 28 C ASP A 3 -11.618 -7.281 1.707 1.00 0.00 C ATOM 29 O ASP A 3 -12.510 -6.470 1.886 1.00 0.00 O ATOM 30 CB ASP A 3 -12.951 -9.297 2.409 1.00 0.00 C ATOM 31 CG ASP A 3 -14.034 -8.628 3.243 1.00 0.00 C ATOM 32 OD1 ASP A 3 -13.735 -8.133 4.353 1.00 0.00 O ATOM 33 OD2 ASP A 3 -15.203 -8.631 2.808 1.00 0.00 O ATOM 0 HA ASP A 3 -10.854 -9.254 1.997 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -13.280 -9.336 1.371 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -12.834 -10.327 2.745 1.00 0.00 H new ATOM 38 N PRO A 4 -10.596 -7.084 0.868 1.00 0.00 N ATOM 39 CA PRO A 4 -10.378 -5.926 -0.017 1.00 0.00 C ATOM 40 C PRO A 4 -11.597 -5.212 -0.624 1.00 0.00 C ATOM 41 O PRO A 4 -11.441 -4.072 -1.025 1.00 0.00 O ATOM 42 CB PRO A 4 -9.598 -6.608 -1.140 1.00 0.00 C ATOM 43 CG PRO A 4 -8.757 -7.629 -0.473 1.00 0.00 C ATOM 44 CD PRO A 4 -9.421 -7.966 0.823 1.00 0.00 C ATOM 0 HA PRO A 4 -9.921 -5.111 0.545 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.272 -7.066 -1.864 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -8.985 -5.890 -1.685 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -8.660 -8.516 -1.098 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -7.750 -7.247 -0.302 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -9.710 -9.016 0.861 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -8.757 -7.788 1.669 1.00 0.00 H new ATOM 52 N LYS A 5 -12.776 -5.840 -0.677 1.00 0.00 N ATOM 53 CA LYS A 5 -14.037 -5.226 -1.211 1.00 0.00 C ATOM 54 C LYS A 5 -14.353 -3.775 -0.718 1.00 0.00 C ATOM 55 O LYS A 5 -15.423 -3.240 -0.989 1.00 0.00 O ATOM 56 CB LYS A 5 -15.197 -6.142 -0.862 1.00 0.00 C ATOM 57 CG LYS A 5 -15.304 -6.359 0.622 1.00 0.00 C ATOM 58 CD LYS A 5 -16.361 -5.464 1.243 1.00 0.00 C ATOM 59 CE LYS A 5 -16.547 -5.759 2.722 1.00 0.00 C ATOM 60 NZ LYS A 5 -17.811 -5.182 3.257 1.00 0.00 N ATOM 0 H LYS A 5 -12.903 -6.798 -0.352 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.887 -5.125 -2.286 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -16.126 -5.712 -1.235 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.067 -7.102 -1.362 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -15.548 -7.403 0.821 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -14.339 -6.162 1.090 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -16.076 -4.420 1.113 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -17.308 -5.603 0.722 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -16.548 -6.838 2.878 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -15.701 -5.357 3.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -17.895 -5.408 4.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -17.801 -4.149 3.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -18.621 -5.585 2.744 1.00 0.00 H new ATOM 74 N HIS A 6 -13.422 -3.181 0.007 1.00 0.00 N ATOM 75 CA HIS A 6 -13.503 -1.832 0.578 1.00 0.00 C ATOM 76 C HIS A 6 -13.601 -0.766 -0.502 1.00 0.00 C ATOM 77 O HIS A 6 -13.997 0.364 -0.228 1.00 0.00 O ATOM 78 CB HIS A 6 -12.223 -1.573 1.367 1.00 0.00 C ATOM 79 CG HIS A 6 -11.904 -2.548 2.446 1.00 0.00 C ATOM 80 ND1 HIS A 6 -11.039 -2.274 3.479 1.00 0.00 N ATOM 81 CD2 HIS A 6 -12.273 -3.824 2.600 1.00 0.00 C ATOM 82 CE1 HIS A 6 -10.891 -3.353 4.217 1.00 0.00 C ATOM 83 NE2 HIS A 6 -11.639 -4.311 3.710 1.00 0.00 N ATOM 0 H HIS A 6 -12.540 -3.643 0.230 1.00 0.00 H new ATOM 0 HA HIS A 6 -14.394 -1.780 1.203 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -11.388 -1.552 0.667 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -12.290 -0.580 1.812 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -12.950 -4.372 1.962 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -10.262 -3.439 5.091 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -11.730 -5.256 4.082 1.00 0.00 H new ATOM 92 N VAL A 7 -13.218 -1.161 -1.717 1.00 0.00 N ATOM 93 CA VAL A 7 -13.187 -0.296 -2.911 1.00 0.00 C ATOM 94 C VAL A 7 -12.411 0.992 -2.707 1.00 0.00 C ATOM 95 O VAL A 7 -11.726 1.173 -1.708 1.00 0.00 O ATOM 96 CB VAL A 7 -14.611 0.042 -3.436 1.00 0.00 C ATOM 97 CG1 VAL A 7 -15.503 -1.183 -3.412 1.00 0.00 C ATOM 98 CG2 VAL A 7 -15.257 1.174 -2.657 1.00 0.00 C ATOM 0 H VAL A 7 -12.912 -2.115 -1.909 1.00 0.00 H new ATOM 0 HA VAL A 7 -12.661 -0.888 -3.660 1.00 0.00 H new ATOM 0 HB VAL A 7 -14.494 0.375 -4.467 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -16.493 -0.919 -3.784 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -15.072 -1.959 -4.045 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -15.586 -1.553 -2.390 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -16.250 1.373 -3.061 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -15.342 0.891 -1.608 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -14.644 2.071 -2.743 1.00 0.00 H new ATOM 108 N CYS A 8 -12.438 1.828 -3.735 1.00 0.00 N ATOM 109 CA CYS A 8 -11.960 3.187 -3.644 1.00 0.00 C ATOM 110 C CYS A 8 -12.661 4.023 -4.701 1.00 0.00 C ATOM 111 O CYS A 8 -12.823 3.591 -5.841 1.00 0.00 O ATOM 112 CB CYS A 8 -10.439 3.238 -3.788 1.00 0.00 C ATOM 113 SG CYS A 8 -9.815 3.002 -5.472 1.00 0.00 S ATOM 0 H CYS A 8 -12.795 1.575 -4.656 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.193 3.599 -2.662 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.087 4.202 -3.419 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.003 2.473 -3.146 1.00 0.00 H new ATOM 0 HG CYS A 8 -10.798 3.102 -6.317 1.00 0.00 H new ATOM 119 N VAL A 9 -13.123 5.197 -4.311 1.00 0.00 N ATOM 120 CA VAL A 9 -13.922 6.020 -5.200 1.00 0.00 C ATOM 121 C VAL A 9 -13.320 7.406 -5.370 1.00 0.00 C ATOM 122 O VAL A 9 -13.172 7.902 -6.487 1.00 0.00 O ATOM 123 CB VAL A 9 -15.368 6.158 -4.673 1.00 0.00 C ATOM 124 CG1 VAL A 9 -16.172 7.126 -5.526 1.00 0.00 C ATOM 125 CG2 VAL A 9 -16.049 4.799 -4.620 1.00 0.00 C ATOM 0 H VAL A 9 -12.960 5.601 -3.389 1.00 0.00 H new ATOM 0 HA VAL A 9 -13.934 5.521 -6.169 1.00 0.00 H new ATOM 0 HB VAL A 9 -15.320 6.562 -3.662 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -17.185 7.203 -5.132 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -15.699 8.108 -5.506 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -16.209 6.762 -6.553 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -17.066 4.916 -4.246 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -16.077 4.367 -5.620 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -15.492 4.139 -3.955 1.00 0.00 H new ATOM 135 N ASP A 10 -12.953 8.009 -4.258 1.00 0.00 N ATOM 136 CA ASP A 10 -12.523 9.399 -4.254 1.00 0.00 C ATOM 137 C ASP A 10 -11.016 9.490 -4.120 1.00 0.00 C ATOM 138 O ASP A 10 -10.324 9.856 -5.072 1.00 0.00 O ATOM 139 CB ASP A 10 -13.210 10.148 -3.117 1.00 0.00 C ATOM 140 CG ASP A 10 -12.720 11.571 -2.974 1.00 0.00 C ATOM 141 OD1 ASP A 10 -13.306 12.470 -3.610 1.00 0.00 O ATOM 142 OD2 ASP A 10 -11.763 11.795 -2.204 1.00 0.00 O ATOM 0 H ASP A 10 -12.943 7.561 -3.342 1.00 0.00 H new ATOM 0 HA ASP A 10 -12.806 9.859 -5.201 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -14.286 10.155 -3.290 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -13.041 9.614 -2.182 1.00 0.00 H new ATOM 147 N THR A 11 -10.517 9.143 -2.937 1.00 0.00 N ATOM 148 CA THR A 11 -9.083 9.075 -2.678 1.00 0.00 C ATOM 149 C THR A 11 -8.349 10.342 -3.124 1.00 0.00 C ATOM 150 O THR A 11 -7.260 10.282 -3.694 1.00 0.00 O ATOM 151 CB THR A 11 -8.472 7.816 -3.328 1.00 0.00 C ATOM 152 OG1 THR A 11 -8.763 7.760 -4.731 1.00 0.00 O ATOM 153 CG2 THR A 11 -9.024 6.572 -2.652 1.00 0.00 C ATOM 0 H THR A 11 -11.095 8.901 -2.132 1.00 0.00 H new ATOM 0 HA THR A 11 -8.953 9.004 -1.598 1.00 0.00 H new ATOM 0 HB THR A 11 -7.390 7.863 -3.202 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.004 8.654 -5.051 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.591 5.685 -3.113 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.770 6.591 -1.592 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.108 6.547 -2.765 1.00 0.00 H new ATOM 161 N ARG A 12 -8.958 11.494 -2.859 1.00 0.00 N ATOM 162 CA ARG A 12 -8.317 12.776 -3.124 1.00 0.00 C ATOM 163 C ARG A 12 -7.447 13.168 -1.939 1.00 0.00 C ATOM 164 O ARG A 12 -6.584 14.039 -2.035 1.00 0.00 O ATOM 165 CB ARG A 12 -9.363 13.842 -3.408 1.00 0.00 C ATOM 166 CG ARG A 12 -10.139 13.559 -4.674 1.00 0.00 C ATOM 167 CD ARG A 12 -11.273 14.540 -4.870 1.00 0.00 C ATOM 168 NE ARG A 12 -10.796 15.880 -5.201 1.00 0.00 N ATOM 169 CZ ARG A 12 -11.419 16.698 -6.045 1.00 0.00 C ATOM 170 NH1 ARG A 12 -12.548 16.319 -6.635 1.00 0.00 N ATOM 171 NH2 ARG A 12 -10.913 17.897 -6.292 1.00 0.00 N ATOM 0 H ARG A 12 -9.894 11.565 -2.461 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.683 12.686 -4.006 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -10.054 13.904 -2.567 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.876 14.813 -3.492 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -9.466 13.605 -5.530 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.538 12.545 -4.637 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -11.926 14.182 -5.666 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -11.873 14.585 -3.961 1.00 0.00 H new ATOM 0 HE ARG A 12 -9.936 16.207 -4.760 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -12.940 15.398 -6.441 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -13.022 16.950 -7.281 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -10.049 18.190 -5.836 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -11.387 18.527 -6.938 1.00 0.00 H new ATOM 185 N ASP A 13 -7.684 12.487 -0.822 1.00 0.00 N ATOM 186 CA ASP A 13 -6.890 12.646 0.396 1.00 0.00 C ATOM 187 C ASP A 13 -5.576 11.892 0.256 1.00 0.00 C ATOM 188 O ASP A 13 -4.721 11.921 1.140 1.00 0.00 O ATOM 189 CB ASP A 13 -7.657 12.078 1.596 1.00 0.00 C ATOM 190 CG ASP A 13 -9.057 12.645 1.719 1.00 0.00 C ATOM 191 OD1 ASP A 13 -9.944 12.233 0.940 1.00 0.00 O ATOM 192 OD2 ASP A 13 -9.282 13.514 2.582 1.00 0.00 O ATOM 0 H ASP A 13 -8.437 11.804 -0.734 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.695 13.707 0.551 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.716 10.994 1.504 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.102 12.290 2.510 1.00 0.00 H new ATOM 197 N ILE A 14 -5.444 11.215 -0.869 1.00 0.00 N ATOM 198 CA ILE A 14 -4.344 10.302 -1.112 1.00 0.00 C ATOM 199 C ILE A 14 -3.155 11.049 -1.730 1.00 0.00 C ATOM 200 O ILE A 14 -3.239 11.570 -2.844 1.00 0.00 O ATOM 201 CB ILE A 14 -4.818 9.134 -2.024 1.00 0.00 C ATOM 202 CG1 ILE A 14 -5.618 8.079 -1.228 1.00 0.00 C ATOM 203 CG2 ILE A 14 -3.640 8.468 -2.721 1.00 0.00 C ATOM 204 CD1 ILE A 14 -6.708 8.626 -0.328 1.00 0.00 C ATOM 0 H ILE A 14 -6.102 11.284 -1.645 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.011 9.880 -0.164 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.475 9.567 -2.778 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.070 7.383 -1.934 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.921 7.505 -0.617 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.002 7.656 -3.351 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.120 9.201 -3.337 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.953 8.069 -1.974 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -7.206 7.802 0.183 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.268 9.297 0.410 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.435 9.173 -0.928 1.00 0.00 H new ATOM 216 N PRO A 15 -2.048 11.133 -0.975 1.00 0.00 N ATOM 217 CA PRO A 15 -0.834 11.863 -1.374 1.00 0.00 C ATOM 218 C PRO A 15 -0.099 11.240 -2.560 1.00 0.00 C ATOM 219 O PRO A 15 -0.505 10.206 -3.093 1.00 0.00 O ATOM 220 CB PRO A 15 0.060 11.800 -0.136 1.00 0.00 C ATOM 221 CG PRO A 15 -0.806 11.327 0.978 1.00 0.00 C ATOM 222 CD PRO A 15 -1.916 10.543 0.360 1.00 0.00 C ATOM 0 HA PRO A 15 -1.091 12.871 -1.699 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.897 11.120 -0.294 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.483 12.779 0.089 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.238 10.710 1.674 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.198 12.170 1.547 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.677 9.481 0.308 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.839 10.634 0.932 1.00 0.00 H new ATOM 230 N LYS A 16 1.000 11.879 -2.959 1.00 0.00 N ATOM 231 CA LYS A 16 1.821 11.381 -4.058 1.00 0.00 C ATOM 232 C LYS A 16 2.633 10.163 -3.641 1.00 0.00 C ATOM 233 O LYS A 16 2.935 9.981 -2.458 1.00 0.00 O ATOM 234 CB LYS A 16 2.767 12.446 -4.583 1.00 0.00 C ATOM 235 CG LYS A 16 3.631 13.035 -3.520 1.00 0.00 C ATOM 236 CD LYS A 16 4.860 13.745 -4.084 1.00 0.00 C ATOM 237 CE LYS A 16 4.513 14.928 -4.988 1.00 0.00 C ATOM 238 NZ LYS A 16 3.965 14.506 -6.309 1.00 0.00 N ATOM 0 H LYS A 16 1.341 12.743 -2.537 1.00 0.00 H new ATOM 0 HA LYS A 16 1.129 11.099 -4.851 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.399 12.012 -5.358 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.186 13.240 -5.053 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.046 13.742 -2.933 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.953 12.246 -2.840 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.479 14.097 -3.258 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.458 13.029 -4.648 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.784 15.563 -4.484 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.406 15.532 -5.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.352 15.117 -7.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.232 13.518 -6.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.928 14.588 -6.297 1.00 0.00 H new ATOM 252 N ASN A 17 2.984 9.347 -4.636 1.00 0.00 N ATOM 253 CA ASN A 17 3.703 8.083 -4.441 1.00 0.00 C ATOM 254 C ASN A 17 2.889 7.130 -3.591 1.00 0.00 C ATOM 255 O ASN A 17 3.357 6.069 -3.194 1.00 0.00 O ATOM 256 CB ASN A 17 5.072 8.281 -3.789 1.00 0.00 C ATOM 257 CG ASN A 17 5.991 9.201 -4.572 1.00 0.00 C ATOM 258 OD1 ASN A 17 6.575 8.810 -5.585 1.00 0.00 O ATOM 259 ND2 ASN A 17 6.181 10.407 -4.062 1.00 0.00 N ATOM 0 H ASN A 17 2.775 9.546 -5.614 1.00 0.00 H new ATOM 0 HA ASN A 17 3.857 7.662 -5.435 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.933 8.687 -2.787 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.555 7.310 -3.675 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.831 11.053 -4.509 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.677 10.691 -3.222 1.00 0.00 H new ATOM 266 N ALA A 18 1.677 7.522 -3.307 1.00 0.00 N ATOM 267 CA ALA A 18 0.805 6.754 -2.458 1.00 0.00 C ATOM 268 C ALA A 18 -0.348 6.206 -3.272 1.00 0.00 C ATOM 269 O ALA A 18 -0.948 6.914 -4.086 1.00 0.00 O ATOM 270 CB ALA A 18 0.310 7.616 -1.292 1.00 0.00 C ATOM 0 H ALA A 18 1.264 8.386 -3.659 1.00 0.00 H new ATOM 0 HA ALA A 18 1.354 5.912 -2.037 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.349 7.025 -0.656 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.163 7.962 -0.708 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.236 8.475 -1.681 1.00 0.00 H new ATOM 276 N GLY A 19 -0.625 4.933 -3.077 1.00 0.00 N ATOM 277 CA GLY A 19 -1.726 4.297 -3.762 1.00 0.00 C ATOM 278 C GLY A 19 -3.044 4.664 -3.114 1.00 0.00 C ATOM 279 O GLY A 19 -3.064 5.100 -1.960 1.00 0.00 O ATOM 0 H GLY A 19 -0.102 4.321 -2.450 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.733 4.600 -4.809 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.595 3.215 -3.744 1.00 0.00 H new ATOM 283 N CYS A 20 -4.136 4.514 -3.831 1.00 0.00 N ATOM 284 CA CYS A 20 -5.415 4.925 -3.306 1.00 0.00 C ATOM 285 C CYS A 20 -6.241 3.723 -2.849 1.00 0.00 C ATOM 286 O CYS A 20 -6.215 2.661 -3.475 1.00 0.00 O ATOM 287 CB CYS A 20 -6.159 5.728 -4.364 1.00 0.00 C ATOM 288 SG CYS A 20 -6.558 4.805 -5.867 1.00 0.00 S ATOM 0 H CYS A 20 -4.163 4.115 -4.769 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.251 5.552 -2.430 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.084 6.107 -3.930 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -5.556 6.594 -4.635 1.00 0.00 H new ATOM 0 HG CYS A 20 -7.700 4.202 -5.716 1.00 0.00 H new ATOM 294 N PHE A 21 -6.948 3.889 -1.735 1.00 0.00 N ATOM 295 CA PHE A 21 -7.764 2.829 -1.168 1.00 0.00 C ATOM 296 C PHE A 21 -8.889 3.435 -0.337 1.00 0.00 C ATOM 297 O PHE A 21 -8.807 4.581 0.064 1.00 0.00 O ATOM 298 CB PHE A 21 -6.876 1.924 -0.311 1.00 0.00 C ATOM 299 CG PHE A 21 -7.569 0.746 0.306 1.00 0.00 C ATOM 300 CD1 PHE A 21 -8.119 -0.254 -0.483 1.00 0.00 C ATOM 301 CD2 PHE A 21 -7.646 0.628 1.682 1.00 0.00 C ATOM 302 CE1 PHE A 21 -8.732 -1.348 0.098 1.00 0.00 C ATOM 303 CE2 PHE A 21 -8.258 -0.463 2.264 1.00 0.00 C ATOM 304 CZ PHE A 21 -8.798 -1.450 1.470 1.00 0.00 C ATOM 0 H PHE A 21 -6.969 4.760 -1.204 1.00 0.00 H new ATOM 0 HA PHE A 21 -8.213 2.233 -1.963 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -6.054 1.560 -0.928 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -6.435 2.524 0.485 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -8.068 -0.177 -1.559 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -7.222 1.399 2.308 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -9.159 -2.122 -0.523 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -8.313 -0.543 3.340 1.00 0.00 H new ATOM 0 HZ PHE A 21 -9.274 -2.306 1.924 1.00 0.00 H new ATOM 314 N ARG A 22 -9.980 2.714 -0.185 1.00 0.00 N ATOM 315 CA ARG A 22 -11.007 3.060 0.783 1.00 0.00 C ATOM 316 C ARG A 22 -11.141 1.893 1.724 1.00 0.00 C ATOM 317 O ARG A 22 -10.911 0.777 1.311 1.00 0.00 O ATOM 318 CB ARG A 22 -12.353 3.309 0.102 1.00 0.00 C ATOM 319 CG ARG A 22 -13.320 4.094 0.970 1.00 0.00 C ATOM 320 CD ARG A 22 -13.973 5.225 0.192 1.00 0.00 C ATOM 321 NE ARG A 22 -14.625 6.202 1.066 1.00 0.00 N ATOM 322 CZ ARG A 22 -15.670 6.951 0.710 1.00 0.00 C ATOM 323 NH1 ARG A 22 -16.314 6.711 -0.425 1.00 0.00 N ATOM 324 NH2 ARG A 22 -16.104 7.915 1.511 1.00 0.00 N ATOM 0 H ARG A 22 -10.182 1.873 -0.726 1.00 0.00 H new ATOM 0 HA ARG A 22 -10.725 3.974 1.306 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.188 3.850 -0.830 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -12.804 2.352 -0.161 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.089 3.425 1.357 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -12.790 4.501 1.831 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.219 5.729 -0.412 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -14.709 4.810 -0.497 1.00 0.00 H new ATOM 0 HE ARG A 22 -14.256 6.318 2.010 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -16.011 5.949 -1.032 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -17.112 7.288 -0.690 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -15.638 8.086 2.402 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -16.903 8.486 1.236 1.00 0.00 H new ATOM 338 N ASP A 23 -11.433 2.129 2.985 1.00 0.00 N ATOM 339 CA ASP A 23 -11.730 1.021 3.879 1.00 0.00 C ATOM 340 C ASP A 23 -13.241 0.872 3.981 1.00 0.00 C ATOM 341 O ASP A 23 -13.977 1.804 3.659 1.00 0.00 O ATOM 342 CB ASP A 23 -11.123 1.254 5.264 1.00 0.00 C ATOM 343 CG ASP A 23 -11.270 0.041 6.161 1.00 0.00 C ATOM 344 OD1 ASP A 23 -10.437 -0.878 6.058 1.00 0.00 O ATOM 345 OD2 ASP A 23 -12.231 -0.006 6.950 1.00 0.00 O ATOM 0 H ASP A 23 -11.472 3.055 3.411 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.291 0.107 3.479 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.067 1.502 5.160 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.607 2.111 5.732 1.00 0.00 H new ATOM 350 N ASP A 24 -13.708 -0.291 4.429 1.00 0.00 N ATOM 351 CA ASP A 24 -15.142 -0.529 4.580 1.00 0.00 C ATOM 352 C ASP A 24 -15.695 0.308 5.729 1.00 0.00 C ATOM 353 O ASP A 24 -16.907 0.416 5.913 1.00 0.00 O ATOM 354 CB ASP A 24 -15.431 -2.016 4.800 1.00 0.00 C ATOM 355 CG ASP A 24 -14.673 -2.599 5.970 1.00 0.00 C ATOM 356 OD1 ASP A 24 -13.528 -3.046 5.767 1.00 0.00 O ATOM 357 OD2 ASP A 24 -15.217 -2.621 7.092 1.00 0.00 O ATOM 0 H ASP A 24 -13.118 -1.080 4.693 1.00 0.00 H new ATOM 0 HA ASP A 24 -15.641 -0.227 3.659 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -16.500 -2.152 4.963 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -15.173 -2.568 3.896 1.00 0.00 H new ATOM 362 N ASP A 25 -14.779 0.899 6.490 1.00 0.00 N ATOM 363 CA ASP A 25 -15.111 1.900 7.496 1.00 0.00 C ATOM 364 C ASP A 25 -15.660 3.155 6.825 1.00 0.00 C ATOM 365 O ASP A 25 -16.458 3.890 7.405 1.00 0.00 O ATOM 366 CB ASP A 25 -13.850 2.255 8.298 1.00 0.00 C ATOM 367 CG ASP A 25 -14.023 3.480 9.174 1.00 0.00 C ATOM 368 OD1 ASP A 25 -14.460 3.331 10.333 1.00 0.00 O ATOM 369 OD2 ASP A 25 -13.703 4.596 8.709 1.00 0.00 O ATOM 0 H ASP A 25 -13.782 0.696 6.425 1.00 0.00 H new ATOM 0 HA ASP A 25 -15.870 1.496 8.166 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -13.574 1.406 8.923 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -13.024 2.424 7.607 1.00 0.00 H new ATOM 374 N GLY A 26 -15.230 3.381 5.589 1.00 0.00 N ATOM 375 CA GLY A 26 -15.637 4.560 4.852 1.00 0.00 C ATOM 376 C GLY A 26 -14.483 5.511 4.625 1.00 0.00 C ATOM 377 O GLY A 26 -14.524 6.349 3.728 1.00 0.00 O ATOM 0 H GLY A 26 -14.600 2.760 5.081 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -16.055 4.261 3.891 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -16.429 5.074 5.398 1.00 0.00 H new ATOM 381 N THR A 27 -13.448 5.371 5.432 1.00 0.00 N ATOM 382 CA THR A 27 -12.265 6.203 5.303 1.00 0.00 C ATOM 383 C THR A 27 -11.467 5.829 4.064 1.00 0.00 C ATOM 384 O THR A 27 -11.168 4.656 3.842 1.00 0.00 O ATOM 385 CB THR A 27 -11.368 6.087 6.550 1.00 0.00 C ATOM 386 OG1 THR A 27 -12.113 6.425 7.730 1.00 0.00 O ATOM 387 CG2 THR A 27 -10.153 6.999 6.437 1.00 0.00 C ATOM 0 H THR A 27 -13.402 4.686 6.187 1.00 0.00 H new ATOM 0 HA THR A 27 -12.602 7.235 5.207 1.00 0.00 H new ATOM 0 HB THR A 27 -11.024 5.055 6.620 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.834 5.774 7.859 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.537 6.897 7.331 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.569 6.720 5.560 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.482 8.033 6.339 1.00 0.00 H new ATOM 395 N LYS A 28 -11.143 6.822 3.244 1.00 0.00 N ATOM 396 CA LYS A 28 -10.291 6.589 2.093 1.00 0.00 C ATOM 397 C LYS A 28 -8.856 6.588 2.558 1.00 0.00 C ATOM 398 O LYS A 28 -8.327 7.617 2.979 1.00 0.00 O ATOM 399 CB LYS A 28 -10.450 7.662 1.020 1.00 0.00 C ATOM 400 CG LYS A 28 -11.833 8.264 0.931 1.00 0.00 C ATOM 401 CD LYS A 28 -11.764 9.633 0.282 1.00 0.00 C ATOM 402 CE LYS A 28 -12.915 10.528 0.710 1.00 0.00 C ATOM 403 NZ LYS A 28 -12.675 11.947 0.335 1.00 0.00 N ATOM 0 H LYS A 28 -11.456 7.786 3.356 1.00 0.00 H new ATOM 0 HA LYS A 28 -10.578 5.634 1.652 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.733 8.460 1.214 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.193 7.230 0.053 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.486 7.611 0.352 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.267 8.347 1.927 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.819 10.110 0.542 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.777 9.521 -0.802 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.838 10.180 0.247 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.052 10.454 1.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.481 12.528 0.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.807 12.286 0.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.569 12.020 -0.697 1.00 0.00 H new ATOM 417 N GLU A 29 -8.236 5.441 2.485 1.00 0.00 N ATOM 418 CA GLU A 29 -6.883 5.292 2.932 1.00 0.00 C ATOM 419 C GLU A 29 -5.900 5.465 1.805 1.00 0.00 C ATOM 420 O GLU A 29 -6.246 5.459 0.623 1.00 0.00 O ATOM 421 CB GLU A 29 -6.650 3.928 3.543 1.00 0.00 C ATOM 422 CG GLU A 29 -7.456 3.670 4.793 1.00 0.00 C ATOM 423 CD GLU A 29 -7.048 2.382 5.481 1.00 0.00 C ATOM 424 OE1 GLU A 29 -7.284 1.295 4.918 1.00 0.00 O ATOM 425 OE2 GLU A 29 -6.475 2.451 6.590 1.00 0.00 O ATOM 0 H GLU A 29 -8.655 4.588 2.115 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.727 6.069 3.680 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.891 3.164 2.804 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.591 3.822 3.778 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.330 4.504 5.483 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.515 3.624 4.538 1.00 0.00 H new ATOM 432 N TRP A 30 -4.668 5.596 2.204 1.00 0.00 N ATOM 433 CA TRP A 30 -3.559 5.659 1.303 1.00 0.00 C ATOM 434 C TRP A 30 -2.379 5.012 1.980 1.00 0.00 C ATOM 435 O TRP A 30 -2.268 5.016 3.206 1.00 0.00 O ATOM 436 CB TRP A 30 -3.235 7.100 0.954 1.00 0.00 C ATOM 437 CG TRP A 30 -3.077 7.939 2.170 1.00 0.00 C ATOM 438 CD1 TRP A 30 -4.071 8.469 2.935 1.00 0.00 C ATOM 439 CD2 TRP A 30 -1.851 8.313 2.788 1.00 0.00 C ATOM 440 NE1 TRP A 30 -3.525 9.186 3.970 1.00 0.00 N ATOM 441 CE2 TRP A 30 -2.174 9.095 3.903 1.00 0.00 C ATOM 442 CE3 TRP A 30 -0.508 8.066 2.505 1.00 0.00 C ATOM 443 CZ2 TRP A 30 -1.217 9.635 4.726 1.00 0.00 C ATOM 444 CZ3 TRP A 30 0.443 8.601 3.334 1.00 0.00 C ATOM 445 CH2 TRP A 30 0.077 9.376 4.435 1.00 0.00 C ATOM 0 H TRP A 30 -4.403 5.663 3.187 1.00 0.00 H new ATOM 0 HA TRP A 30 -3.801 5.139 0.376 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -2.317 7.134 0.367 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -4.029 7.510 0.330 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -5.128 8.344 2.755 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -4.050 9.703 4.675 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.224 7.467 1.652 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -1.488 10.245 5.575 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 1.489 8.421 3.133 1.00 0.00 H new ATOM 0 HH2 TRP A 30 0.849 9.780 5.072 1.00 0.00 H new ATOM 456 N ARG A 31 -1.529 4.439 1.188 1.00 0.00 N ATOM 457 CA ARG A 31 -0.349 3.785 1.681 1.00 0.00 C ATOM 458 C ARG A 31 0.791 4.160 0.794 1.00 0.00 C ATOM 459 O ARG A 31 0.593 4.702 -0.291 1.00 0.00 O ATOM 460 CB ARG A 31 -0.527 2.269 1.743 1.00 0.00 C ATOM 461 CG ARG A 31 -1.581 1.862 2.746 1.00 0.00 C ATOM 462 CD ARG A 31 -1.924 0.391 2.686 1.00 0.00 C ATOM 463 NE ARG A 31 -2.828 0.011 3.774 1.00 0.00 N ATOM 464 CZ ARG A 31 -4.133 0.290 3.799 1.00 0.00 C ATOM 465 NH1 ARG A 31 -4.704 0.929 2.790 1.00 0.00 N ATOM 466 NH2 ARG A 31 -4.874 -0.074 4.834 1.00 0.00 N ATOM 0 H ARG A 31 -1.631 4.409 0.174 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.151 4.110 2.702 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.802 1.896 0.757 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.423 1.803 2.006 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.232 2.106 3.749 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.484 2.446 2.571 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.389 0.163 1.727 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.010 -0.200 2.746 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.435 -0.500 4.564 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.146 1.212 1.985 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.702 1.138 2.818 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.448 -0.570 5.617 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.871 0.142 4.848 1.00 0.00 H new ATOM 480 N CYS A 32 1.964 3.834 1.223 1.00 0.00 N ATOM 481 CA CYS A 32 3.145 4.273 0.555 1.00 0.00 C ATOM 482 C CYS A 32 3.701 3.080 -0.147 1.00 0.00 C ATOM 483 O CYS A 32 3.868 2.026 0.449 1.00 0.00 O ATOM 484 CB CYS A 32 4.136 4.804 1.582 1.00 0.00 C ATOM 485 SG CYS A 32 3.422 5.994 2.735 1.00 0.00 S ATOM 0 H CYS A 32 2.132 3.256 2.046 1.00 0.00 H new ATOM 0 HA CYS A 32 2.939 5.074 -0.155 1.00 0.00 H new ATOM 0 HB2 CYS A 32 4.545 3.966 2.146 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.970 5.273 1.060 1.00 0.00 H new ATOM 0 HG CYS A 32 3.807 7.194 2.414 1.00 0.00 H new ATOM 491 N LEU A 33 3.890 3.271 -1.443 1.00 0.00 N ATOM 492 CA LEU A 33 4.181 2.213 -2.392 1.00 0.00 C ATOM 493 C LEU A 33 5.253 1.247 -1.940 1.00 0.00 C ATOM 494 O LEU A 33 5.905 1.444 -0.930 1.00 0.00 O ATOM 495 CB LEU A 33 4.549 2.863 -3.706 1.00 0.00 C ATOM 496 CG LEU A 33 3.369 3.550 -4.359 1.00 0.00 C ATOM 497 CD1 LEU A 33 3.735 4.091 -5.716 1.00 0.00 C ATOM 498 CD2 LEU A 33 2.165 2.628 -4.441 1.00 0.00 C ATOM 0 H LEU A 33 3.843 4.194 -1.874 1.00 0.00 H new ATOM 0 HA LEU A 33 3.289 1.595 -2.491 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.343 3.591 -3.539 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.947 2.107 -4.383 1.00 0.00 H new ATOM 0 HG LEU A 33 3.092 4.395 -3.729 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.867 4.579 -6.160 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.544 4.814 -5.613 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.059 3.272 -6.359 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.336 3.153 -4.915 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.421 1.747 -5.030 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.873 2.321 -3.437 1.00 0.00 H new ATOM 510 N LEU A 34 5.427 0.202 -2.714 1.00 0.00 N ATOM 511 CA LEU A 34 6.316 -0.879 -2.332 1.00 0.00 C ATOM 512 C LEU A 34 7.724 -0.378 -2.112 1.00 0.00 C ATOM 513 O LEU A 34 8.392 0.077 -3.036 1.00 0.00 O ATOM 514 CB LEU A 34 6.289 -1.989 -3.373 1.00 0.00 C ATOM 515 CG LEU A 34 4.917 -2.620 -3.569 1.00 0.00 C ATOM 516 CD1 LEU A 34 5.017 -3.831 -4.462 1.00 0.00 C ATOM 517 CD2 LEU A 34 4.305 -2.996 -2.231 1.00 0.00 C ATOM 0 H LEU A 34 4.966 0.074 -3.615 1.00 0.00 H new ATOM 0 HA LEU A 34 5.960 -1.289 -1.387 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.633 -1.588 -4.326 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.996 -2.765 -3.080 1.00 0.00 H new ATOM 0 HG LEU A 34 4.268 -1.888 -4.049 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.028 -4.270 -4.592 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.413 -3.535 -5.433 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.683 -4.565 -4.007 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.325 -3.445 -2.392 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.952 -3.711 -1.723 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.198 -2.102 -1.616 1.00 0.00 H new ATOM 529 N GLY A 35 8.148 -0.441 -0.865 1.00 0.00 N ATOM 530 CA GLY A 35 9.456 0.036 -0.502 1.00 0.00 C ATOM 531 C GLY A 35 9.487 1.532 -0.254 1.00 0.00 C ATOM 532 O GLY A 35 10.555 2.113 -0.126 1.00 0.00 O ATOM 0 H GLY A 35 7.602 -0.819 -0.091 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.791 -0.484 0.396 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.161 -0.211 -1.296 1.00 0.00 H new ATOM 536 N TYR A 36 8.323 2.165 -0.203 1.00 0.00 N ATOM 537 CA TYR A 36 8.250 3.589 0.060 1.00 0.00 C ATOM 538 C TYR A 36 7.983 3.878 1.535 1.00 0.00 C ATOM 539 O TYR A 36 7.889 2.962 2.358 1.00 0.00 O ATOM 540 CB TYR A 36 7.165 4.245 -0.786 1.00 0.00 C ATOM 541 CG TYR A 36 7.427 4.241 -2.280 1.00 0.00 C ATOM 542 CD1 TYR A 36 7.887 3.126 -2.969 1.00 0.00 C ATOM 543 CD2 TYR A 36 7.213 5.392 -2.994 1.00 0.00 C ATOM 544 CE1 TYR A 36 8.115 3.182 -4.332 1.00 0.00 C ATOM 545 CE2 TYR A 36 7.432 5.468 -4.334 1.00 0.00 C ATOM 546 CZ TYR A 36 7.886 4.359 -5.014 1.00 0.00 C ATOM 547 OH TYR A 36 8.105 4.423 -6.372 1.00 0.00 O ATOM 0 H TYR A 36 7.419 1.712 -0.341 1.00 0.00 H new ATOM 0 HA TYR A 36 9.220 4.009 -0.206 1.00 0.00 H new ATOM 0 HB2 TYR A 36 6.220 3.736 -0.597 1.00 0.00 H new ATOM 0 HB3 TYR A 36 7.043 5.277 -0.457 1.00 0.00 H new ATOM 0 HD1 TYR A 36 8.069 2.205 -2.435 1.00 0.00 H new ATOM 0 HD2 TYR A 36 6.858 6.269 -2.474 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.470 2.309 -4.859 1.00 0.00 H new ATOM 0 HE2 TYR A 36 7.251 6.392 -4.862 1.00 0.00 H new ATOM 0 HH TYR A 36 7.894 5.324 -6.695 1.00 0.00 H new ATOM 557 N LYS A 37 7.854 5.162 1.855 1.00 0.00 N ATOM 558 CA LYS A 37 7.684 5.600 3.233 1.00 0.00 C ATOM 559 C LYS A 37 7.031 6.977 3.282 1.00 0.00 C ATOM 560 O LYS A 37 7.062 7.718 2.300 1.00 0.00 O ATOM 561 CB LYS A 37 9.047 5.664 3.923 1.00 0.00 C ATOM 562 CG LYS A 37 9.913 6.821 3.449 1.00 0.00 C ATOM 563 CD LYS A 37 11.247 6.849 4.171 1.00 0.00 C ATOM 564 CE LYS A 37 11.982 8.155 3.929 1.00 0.00 C ATOM 565 NZ LYS A 37 13.232 8.240 4.727 1.00 0.00 N ATOM 0 H LYS A 37 7.864 5.920 1.173 1.00 0.00 H new ATOM 0 HA LYS A 37 7.041 4.886 3.747 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.897 5.750 4.999 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.578 4.728 3.749 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.081 6.735 2.375 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.388 7.762 3.615 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.086 6.713 5.241 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.863 6.015 3.833 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.220 8.247 2.869 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.331 8.991 4.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.706 9.146 4.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.002 8.177 5.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.864 7.457 4.466 1.00 0.00 H new ATOM 579 N LYS A 38 6.429 7.304 4.419 1.00 0.00 N ATOM 580 CA LYS A 38 5.880 8.631 4.642 1.00 0.00 C ATOM 581 C LYS A 38 6.991 9.624 4.935 1.00 0.00 C ATOM 582 O LYS A 38 7.666 9.521 5.960 1.00 0.00 O ATOM 583 CB LYS A 38 4.896 8.592 5.793 1.00 0.00 C ATOM 584 CG LYS A 38 3.864 7.512 5.598 1.00 0.00 C ATOM 585 CD LYS A 38 2.488 7.980 5.956 1.00 0.00 C ATOM 586 CE LYS A 38 2.247 7.983 7.455 1.00 0.00 C ATOM 587 NZ LYS A 38 2.408 6.627 8.047 1.00 0.00 N ATOM 0 H LYS A 38 6.309 6.663 5.203 1.00 0.00 H new ATOM 0 HA LYS A 38 5.361 8.953 3.739 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.432 8.421 6.726 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.401 9.559 5.883 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.876 7.182 4.559 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.124 6.648 6.210 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.337 8.986 5.565 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.752 7.337 5.474 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.943 8.672 7.933 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.242 8.351 7.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.880 6.574 8.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.041 5.913 7.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.416 6.445 8.229 1.00 0.00 H new ATOM 601 N GLY A 39 7.175 10.586 4.043 1.00 0.00 N ATOM 602 CA GLY A 39 8.289 11.508 4.175 1.00 0.00 C ATOM 603 C GLY A 39 7.866 12.963 4.267 1.00 0.00 C ATOM 604 O GLY A 39 8.311 13.690 5.156 1.00 0.00 O ATOM 0 H GLY A 39 6.577 10.746 3.233 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.862 11.248 5.065 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.955 11.385 3.321 1.00 0.00 H new ATOM 608 N GLU A 40 6.988 13.383 3.363 1.00 0.00 N ATOM 609 CA GLU A 40 6.582 14.787 3.265 1.00 0.00 C ATOM 610 C GLU A 40 5.605 15.154 4.386 1.00 0.00 C ATOM 611 O GLU A 40 5.166 16.299 4.495 1.00 0.00 O ATOM 612 CB GLU A 40 5.900 15.046 1.912 1.00 0.00 C ATOM 613 CG GLU A 40 6.452 14.222 0.754 1.00 0.00 C ATOM 614 CD GLU A 40 7.815 14.698 0.302 1.00 0.00 C ATOM 615 OE1 GLU A 40 7.876 15.673 -0.476 1.00 0.00 O ATOM 616 OE2 GLU A 40 8.833 14.117 0.730 1.00 0.00 O ATOM 0 H GLU A 40 6.539 12.770 2.682 1.00 0.00 H new ATOM 0 HA GLU A 40 7.478 15.400 3.356 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.834 14.840 2.012 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.998 16.104 1.667 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.517 13.176 1.055 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.758 14.269 -0.085 1.00 0.00 H new ATOM 623 N GLY A 41 5.268 14.175 5.216 1.00 0.00 N ATOM 624 CA GLY A 41 4.214 14.359 6.190 1.00 0.00 C ATOM 625 C GLY A 41 2.868 14.014 5.590 1.00 0.00 C ATOM 626 O GLY A 41 2.344 14.772 4.772 1.00 0.00 O ATOM 0 H GLY A 41 5.708 13.255 5.230 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.402 13.730 7.060 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.209 15.392 6.538 1.00 0.00 H new ATOM 630 N ASN A 42 2.322 12.861 5.976 1.00 0.00 N ATOM 631 CA ASN A 42 1.115 12.322 5.357 1.00 0.00 C ATOM 632 C ASN A 42 1.296 12.233 3.851 1.00 0.00 C ATOM 633 O ASN A 42 0.627 12.934 3.097 1.00 0.00 O ATOM 634 CB ASN A 42 -0.117 13.171 5.682 1.00 0.00 C ATOM 635 CG ASN A 42 -0.670 12.905 7.067 1.00 0.00 C ATOM 636 OD1 ASN A 42 -1.488 12.002 7.260 1.00 0.00 O ATOM 637 ND2 ASN A 42 -0.241 13.690 8.040 1.00 0.00 N ATOM 0 H ASN A 42 2.702 12.279 6.722 1.00 0.00 H new ATOM 0 HA ASN A 42 0.952 11.325 5.766 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.143 14.226 5.597 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.893 12.973 4.943 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.587 13.560 8.991 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.436 14.426 7.840 1.00 0.00 H new ATOM 644 N THR A 43 2.199 11.355 3.422 1.00 0.00 N ATOM 645 CA THR A 43 2.612 11.273 2.031 1.00 0.00 C ATOM 646 C THR A 43 3.399 10.002 1.798 1.00 0.00 C ATOM 647 O THR A 43 3.476 9.140 2.673 1.00 0.00 O ATOM 648 CB THR A 43 3.514 12.455 1.669 1.00 0.00 C ATOM 649 OG1 THR A 43 4.258 12.823 2.828 1.00 0.00 O ATOM 650 CG2 THR A 43 2.716 13.641 1.156 1.00 0.00 C ATOM 0 H THR A 43 2.663 10.682 4.032 1.00 0.00 H new ATOM 0 HA THR A 43 1.713 11.285 1.414 1.00 0.00 H new ATOM 0 HB THR A 43 4.184 12.154 0.864 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.675 12.026 3.216 1.00 0.00 H new ATOM 0 HG21 THR A 43 3.395 14.458 0.911 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.163 13.349 0.263 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.017 13.969 1.925 1.00 0.00 H new ATOM 658 N CYS A 44 3.991 9.891 0.628 1.00 0.00 N ATOM 659 CA CYS A 44 4.869 8.786 0.335 1.00 0.00 C ATOM 660 C CYS A 44 6.012 9.228 -0.558 1.00 0.00 C ATOM 661 O CYS A 44 5.864 10.150 -1.359 1.00 0.00 O ATOM 662 CB CYS A 44 4.095 7.644 -0.311 1.00 0.00 C ATOM 663 SG CYS A 44 5.126 6.417 -1.096 1.00 0.00 S ATOM 0 H CYS A 44 3.877 10.557 -0.136 1.00 0.00 H new ATOM 0 HA CYS A 44 5.291 8.428 1.274 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.484 7.157 0.450 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.411 8.057 -1.053 1.00 0.00 H new ATOM 0 HG CYS A 44 4.527 5.961 -2.156 1.00 0.00 H new ATOM 669 N VAL A 45 7.147 8.568 -0.376 1.00 0.00 N ATOM 670 CA VAL A 45 8.349 8.782 -1.158 1.00 0.00 C ATOM 671 C VAL A 45 9.169 7.504 -1.133 1.00 0.00 C ATOM 672 O VAL A 45 8.946 6.640 -0.284 1.00 0.00 O ATOM 673 CB VAL A 45 9.226 9.923 -0.602 1.00 0.00 C ATOM 674 CG1 VAL A 45 8.605 11.285 -0.873 1.00 0.00 C ATOM 675 CG2 VAL A 45 9.472 9.729 0.889 1.00 0.00 C ATOM 0 H VAL A 45 7.257 7.850 0.340 1.00 0.00 H new ATOM 0 HA VAL A 45 8.041 9.057 -2.167 1.00 0.00 H new ATOM 0 HB VAL A 45 10.185 9.890 -1.120 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.249 12.066 -0.468 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.495 11.427 -1.948 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.626 11.340 -0.397 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.092 10.543 1.264 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.519 9.726 1.418 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.981 8.779 1.053 1.00 0.00 H new ATOM 685 N GLU A 46 10.113 7.399 -2.041 1.00 0.00 N ATOM 686 CA GLU A 46 10.928 6.206 -2.175 1.00 0.00 C ATOM 687 C GLU A 46 11.828 6.004 -0.965 1.00 0.00 C ATOM 688 O GLU A 46 12.740 6.794 -0.709 1.00 0.00 O ATOM 689 CB GLU A 46 11.758 6.307 -3.445 1.00 0.00 C ATOM 690 CG GLU A 46 11.406 5.266 -4.489 1.00 0.00 C ATOM 691 CD GLU A 46 11.646 5.756 -5.900 1.00 0.00 C ATOM 692 OE1 GLU A 46 10.857 6.603 -6.383 1.00 0.00 O ATOM 693 OE2 GLU A 46 12.622 5.303 -6.536 1.00 0.00 O ATOM 0 H GLU A 46 10.340 8.136 -2.709 1.00 0.00 H new ATOM 0 HA GLU A 46 10.269 5.340 -2.235 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.627 7.299 -3.876 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.813 6.208 -3.188 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.997 4.367 -4.315 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.359 4.985 -4.379 1.00 0.00 H new ATOM 700 N ASN A 47 11.559 4.941 -0.225 1.00 0.00 N ATOM 701 CA ASN A 47 12.351 4.596 0.941 1.00 0.00 C ATOM 702 C ASN A 47 13.453 3.638 0.546 1.00 0.00 C ATOM 703 O ASN A 47 13.223 2.465 0.264 1.00 0.00 O ATOM 704 CB ASN A 47 11.463 4.006 2.039 1.00 0.00 C ATOM 705 CG ASN A 47 12.243 3.540 3.253 1.00 0.00 C ATOM 706 OD1 ASN A 47 13.354 3.997 3.510 1.00 0.00 O ATOM 707 ND2 ASN A 47 11.650 2.649 4.027 1.00 0.00 N ATOM 0 H ASN A 47 10.791 4.298 -0.415 1.00 0.00 H new ATOM 0 HA ASN A 47 12.811 5.499 1.342 1.00 0.00 H new ATOM 0 HB2 ASN A 47 10.734 4.755 2.349 1.00 0.00 H new ATOM 0 HB3 ASN A 47 10.902 3.165 1.631 1.00 0.00 H new ATOM 0 HD21 ASN A 47 12.115 2.317 4.872 1.00 0.00 H new ATOM 0 HD22 ASN A 47 10.727 2.293 3.780 1.00 0.00 H new ATOM 714 N ASN A 48 14.658 4.161 0.539 1.00 0.00 N ATOM 715 CA ASN A 48 15.814 3.459 0.042 1.00 0.00 C ATOM 716 C ASN A 48 16.294 2.379 1.013 1.00 0.00 C ATOM 717 O ASN A 48 17.393 1.850 0.869 1.00 0.00 O ATOM 718 CB ASN A 48 16.906 4.484 -0.213 1.00 0.00 C ATOM 719 CG ASN A 48 16.358 5.782 -0.789 1.00 0.00 C ATOM 720 OD1 ASN A 48 16.060 6.723 -0.051 1.00 0.00 O ATOM 721 ND2 ASN A 48 16.208 5.841 -2.100 1.00 0.00 N ATOM 0 H ASN A 48 14.863 5.099 0.884 1.00 0.00 H new ATOM 0 HA ASN A 48 15.552 2.941 -0.881 1.00 0.00 H new ATOM 0 HB2 ASN A 48 17.428 4.695 0.720 1.00 0.00 H new ATOM 0 HB3 ASN A 48 17.640 4.065 -0.901 1.00 0.00 H new ATOM 0 HD21 ASN A 48 15.835 6.686 -2.533 1.00 0.00 H new ATOM 0 HD22 ASN A 48 16.466 5.042 -2.679 1.00 0.00 H new ATOM 728 N ASN A 49 15.454 2.040 1.979 1.00 0.00 N ATOM 729 CA ASN A 49 15.757 1.006 2.954 1.00 0.00 C ATOM 730 C ASN A 49 14.460 0.498 3.578 1.00 0.00 C ATOM 731 O ASN A 49 14.167 0.772 4.742 1.00 0.00 O ATOM 732 CB ASN A 49 16.680 1.559 4.034 1.00 0.00 C ATOM 733 CG ASN A 49 17.171 0.479 4.978 1.00 0.00 C ATOM 734 OD1 ASN A 49 17.326 -0.676 4.586 1.00 0.00 O ATOM 735 ND2 ASN A 49 17.413 0.845 6.226 1.00 0.00 N ATOM 0 H ASN A 49 14.541 2.476 2.108 1.00 0.00 H new ATOM 0 HA ASN A 49 16.262 0.179 2.456 1.00 0.00 H new ATOM 0 HB2 ASN A 49 17.535 2.045 3.564 1.00 0.00 H new ATOM 0 HB3 ASN A 49 16.152 2.324 4.603 1.00 0.00 H new ATOM 0 HD21 ASN A 49 17.741 0.158 6.904 1.00 0.00 H new ATOM 0 HD22 ASN A 49 17.271 1.814 6.510 1.00 0.00 H new ATOM 742 N PRO A 50 13.644 -0.218 2.795 1.00 0.00 N ATOM 743 CA PRO A 50 12.348 -0.694 3.241 1.00 0.00 C ATOM 744 C PRO A 50 12.418 -1.996 4.028 1.00 0.00 C ATOM 745 O PRO A 50 13.077 -2.955 3.629 1.00 0.00 O ATOM 746 CB PRO A 50 11.569 -0.894 1.942 1.00 0.00 C ATOM 747 CG PRO A 50 12.550 -0.788 0.819 1.00 0.00 C ATOM 748 CD PRO A 50 13.910 -0.608 1.412 1.00 0.00 C ATOM 0 HA PRO A 50 11.886 0.013 3.930 1.00 0.00 H new ATOM 0 HB2 PRO A 50 11.078 -1.867 1.934 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.787 -0.141 1.842 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.519 -1.685 0.200 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.301 0.054 0.173 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.492 -1.528 1.362 1.00 0.00 H new ATOM 0 HD3 PRO A 50 14.478 0.158 0.883 1.00 0.00 H new ATOM 756 N THR A 51 11.740 -1.994 5.159 1.00 0.00 N ATOM 757 CA THR A 51 11.618 -3.160 6.007 1.00 0.00 C ATOM 758 C THR A 51 10.140 -3.469 6.195 1.00 0.00 C ATOM 759 O THR A 51 9.306 -2.567 6.097 1.00 0.00 O ATOM 760 CB THR A 51 12.297 -2.947 7.377 1.00 0.00 C ATOM 761 OG1 THR A 51 12.347 -4.185 8.098 1.00 0.00 O ATOM 762 CG2 THR A 51 11.553 -1.905 8.200 1.00 0.00 C ATOM 0 H THR A 51 11.253 -1.172 5.518 1.00 0.00 H new ATOM 0 HA THR A 51 12.124 -3.998 5.527 1.00 0.00 H new ATOM 0 HB THR A 51 13.311 -2.588 7.200 1.00 0.00 H new ATOM 0 HG1 THR A 51 12.781 -4.041 8.965 1.00 0.00 H new ATOM 0 HG21 THR A 51 12.053 -1.775 9.160 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.544 -0.956 7.664 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.528 -2.237 8.367 1.00 0.00 H new ATOM 770 N CYS A 52 9.805 -4.722 6.442 1.00 0.00 N ATOM 771 CA CYS A 52 8.429 -5.089 6.653 1.00 0.00 C ATOM 772 C CYS A 52 8.041 -4.762 8.094 1.00 0.00 C ATOM 773 O CYS A 52 8.891 -4.320 8.869 1.00 0.00 O ATOM 774 CB CYS A 52 8.252 -6.574 6.354 1.00 0.00 C ATOM 775 SG CYS A 52 9.064 -7.684 7.525 1.00 0.00 S ATOM 0 H CYS A 52 10.468 -5.495 6.500 1.00 0.00 H new ATOM 0 HA CYS A 52 7.777 -4.527 5.984 1.00 0.00 H new ATOM 0 HB2 CYS A 52 7.186 -6.802 6.337 1.00 0.00 H new ATOM 0 HB3 CYS A 52 8.637 -6.778 5.355 1.00 0.00 H new ATOM 0 HG CYS A 52 8.846 -8.917 7.176 1.00 0.00 H new ATOM 781 N ASP A 53 6.757 -4.940 8.427 1.00 0.00 N ATOM 782 CA ASP A 53 6.194 -4.531 9.732 1.00 0.00 C ATOM 783 C ASP A 53 5.944 -3.032 9.769 1.00 0.00 C ATOM 784 O ASP A 53 4.909 -2.576 10.248 1.00 0.00 O ATOM 785 CB ASP A 53 7.089 -4.930 10.916 1.00 0.00 C ATOM 786 CG ASP A 53 6.826 -6.336 11.416 1.00 0.00 C ATOM 787 OD1 ASP A 53 6.245 -7.148 10.664 1.00 0.00 O ATOM 788 OD2 ASP A 53 7.198 -6.637 12.572 1.00 0.00 O ATOM 0 H ASP A 53 6.074 -5.371 7.804 1.00 0.00 H new ATOM 0 HA ASP A 53 5.249 -5.064 9.836 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.134 -4.847 10.617 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.934 -4.226 11.733 1.00 0.00 H new ATOM 793 N ILE A 54 6.887 -2.274 9.243 1.00 0.00 N ATOM 794 CA ILE A 54 6.785 -0.825 9.210 1.00 0.00 C ATOM 795 C ILE A 54 6.300 -0.394 7.854 1.00 0.00 C ATOM 796 O ILE A 54 7.026 -0.509 6.864 1.00 0.00 O ATOM 797 CB ILE A 54 8.138 -0.164 9.528 1.00 0.00 C ATOM 798 CG1 ILE A 54 8.628 -0.657 10.892 1.00 0.00 C ATOM 799 CG2 ILE A 54 8.009 1.353 9.499 1.00 0.00 C ATOM 800 CD1 ILE A 54 9.993 -0.145 11.286 1.00 0.00 C ATOM 0 H ILE A 54 7.743 -2.642 8.828 1.00 0.00 H new ATOM 0 HA ILE A 54 6.074 -0.506 9.973 1.00 0.00 H new ATOM 0 HB ILE A 54 8.871 -0.443 8.771 1.00 0.00 H new ATOM 0 HG12 ILE A 54 7.907 -0.358 11.653 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.650 -1.747 10.885 1.00 0.00 H new ATOM 0 HG21 ILE A 54 8.975 1.805 9.726 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.683 1.672 8.509 1.00 0.00 H new ATOM 0 HG23 ILE A 54 7.277 1.670 10.241 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.262 -0.543 12.265 1.00 0.00 H new ATOM 0 HD12 ILE A 54 10.729 -0.466 10.549 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.975 0.944 11.329 1.00 0.00 H new ATOM 812 N ASN A 55 5.039 0.042 7.810 1.00 0.00 N ATOM 813 CA ASN A 55 4.382 0.376 6.553 1.00 0.00 C ATOM 814 C ASN A 55 4.223 -0.891 5.735 1.00 0.00 C ATOM 815 O ASN A 55 3.905 -0.857 4.551 1.00 0.00 O ATOM 816 CB ASN A 55 5.208 1.421 5.801 1.00 0.00 C ATOM 817 CG ASN A 55 4.476 2.060 4.635 1.00 0.00 C ATOM 818 OD1 ASN A 55 3.259 2.235 4.658 1.00 0.00 O ATOM 819 ND2 ASN A 55 5.228 2.422 3.610 1.00 0.00 N ATOM 0 H ASN A 55 4.454 0.171 8.636 1.00 0.00 H new ATOM 0 HA ASN A 55 3.396 0.801 6.740 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.511 2.202 6.499 1.00 0.00 H new ATOM 0 HB3 ASN A 55 6.120 0.952 5.432 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.802 2.866 2.796 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.234 2.258 3.633 1.00 0.00 H new ATOM 826 N ASN A 56 4.451 -2.017 6.411 1.00 0.00 N ATOM 827 CA ASN A 56 4.455 -3.328 5.788 1.00 0.00 C ATOM 828 C ASN A 56 5.505 -3.370 4.674 1.00 0.00 C ATOM 829 O ASN A 56 5.418 -4.174 3.753 1.00 0.00 O ATOM 830 CB ASN A 56 3.066 -3.653 5.224 1.00 0.00 C ATOM 831 CG ASN A 56 2.702 -5.115 5.357 1.00 0.00 C ATOM 832 OD1 ASN A 56 2.939 -5.726 6.398 1.00 0.00 O ATOM 833 ND2 ASN A 56 2.132 -5.686 4.310 1.00 0.00 N ATOM 0 H ASN A 56 4.639 -2.038 7.413 1.00 0.00 H new ATOM 0 HA ASN A 56 4.706 -4.077 6.539 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.320 -3.050 5.741 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.032 -3.370 4.172 1.00 0.00 H new ATOM 0 HD21 ASN A 56 1.870 -6.671 4.346 1.00 0.00 H new ATOM 0 HD22 ASN A 56 1.954 -5.141 3.466 1.00 0.00 H new ATOM 840 N GLY A 57 6.504 -2.492 4.778 1.00 0.00 N ATOM 841 CA GLY A 57 7.494 -2.342 3.726 1.00 0.00 C ATOM 842 C GLY A 57 6.895 -1.718 2.481 1.00 0.00 C ATOM 843 O GLY A 57 7.374 -1.926 1.370 1.00 0.00 O ATOM 0 H GLY A 57 6.643 -1.878 5.581 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.316 -1.723 4.085 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.914 -3.317 3.479 1.00 0.00 H new ATOM 847 N GLY A 58 5.837 -0.953 2.676 1.00 0.00 N ATOM 848 CA GLY A 58 5.159 -0.314 1.574 1.00 0.00 C ATOM 849 C GLY A 58 4.053 -1.187 1.019 1.00 0.00 C ATOM 850 O GLY A 58 3.572 -0.976 -0.090 1.00 0.00 O ATOM 0 H GLY A 58 5.431 -0.761 3.592 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.741 0.637 1.905 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.877 -0.090 0.785 1.00 0.00 H new ATOM 854 N CYS A 59 3.654 -2.165 1.808 1.00 0.00 N ATOM 855 CA CYS A 59 2.653 -3.139 1.407 1.00 0.00 C ATOM 856 C CYS A 59 1.392 -2.980 2.249 1.00 0.00 C ATOM 857 O CYS A 59 1.330 -2.132 3.138 1.00 0.00 O ATOM 858 CB CYS A 59 3.211 -4.557 1.541 1.00 0.00 C ATOM 859 SG CYS A 59 4.708 -4.855 0.573 1.00 0.00 S ATOM 0 H CYS A 59 4.016 -2.309 2.751 1.00 0.00 H new ATOM 0 HA CYS A 59 2.395 -2.965 0.362 1.00 0.00 H new ATOM 0 HB2 CYS A 59 3.425 -4.754 2.591 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.445 -5.268 1.233 1.00 0.00 H new ATOM 0 HG CYS A 59 5.105 -6.080 0.753 1.00 0.00 H new ATOM 865 N ASP A 60 0.393 -3.796 1.967 1.00 0.00 N ATOM 866 CA ASP A 60 -0.866 -3.754 2.708 1.00 0.00 C ATOM 867 C ASP A 60 -0.856 -4.840 3.761 1.00 0.00 C ATOM 868 O ASP A 60 -0.372 -5.929 3.511 1.00 0.00 O ATOM 869 CB ASP A 60 -2.044 -4.014 1.767 1.00 0.00 C ATOM 870 CG ASP A 60 -3.387 -3.880 2.462 1.00 0.00 C ATOM 871 OD1 ASP A 60 -3.793 -4.832 3.166 1.00 0.00 O ATOM 872 OD2 ASP A 60 -4.032 -2.824 2.314 1.00 0.00 O ATOM 0 H ASP A 60 0.424 -4.500 1.229 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.971 -2.770 3.165 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.999 -3.314 0.933 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.955 -5.016 1.347 1.00 0.00 H new ATOM 877 N PRO A 61 -1.373 -4.533 4.967 1.00 0.00 N ATOM 878 CA PRO A 61 -1.413 -5.468 6.092 1.00 0.00 C ATOM 879 C PRO A 61 -1.933 -6.860 5.720 1.00 0.00 C ATOM 880 O PRO A 61 -1.601 -7.844 6.384 1.00 0.00 O ATOM 881 CB PRO A 61 -2.372 -4.792 7.066 1.00 0.00 C ATOM 882 CG PRO A 61 -2.251 -3.347 6.791 1.00 0.00 C ATOM 883 CD PRO A 61 -1.938 -3.222 5.336 1.00 0.00 C ATOM 0 HA PRO A 61 -0.414 -5.652 6.488 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.395 -5.137 6.914 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.109 -5.019 8.099 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.176 -2.826 7.036 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.463 -2.900 7.398 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.833 -2.998 4.755 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.227 -2.417 5.150 1.00 0.00 H new ATOM 891 N THR A 62 -2.765 -6.940 4.684 1.00 0.00 N ATOM 892 CA THR A 62 -3.245 -8.225 4.188 1.00 0.00 C ATOM 893 C THR A 62 -2.199 -8.868 3.278 1.00 0.00 C ATOM 894 O THR A 62 -1.997 -10.084 3.300 1.00 0.00 O ATOM 895 CB THR A 62 -4.572 -8.076 3.420 1.00 0.00 C ATOM 896 OG1 THR A 62 -4.417 -7.161 2.326 1.00 0.00 O ATOM 897 CG2 THR A 62 -5.675 -7.581 4.340 1.00 0.00 C ATOM 0 H THR A 62 -3.119 -6.131 4.173 1.00 0.00 H new ATOM 0 HA THR A 62 -3.420 -8.864 5.053 1.00 0.00 H new ATOM 0 HB THR A 62 -4.848 -9.057 3.033 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.434 -6.241 2.664 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.603 -7.483 3.776 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.818 -8.293 5.153 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.397 -6.611 4.752 1.00 0.00 H new ATOM 905 N ALA A 63 -1.535 -8.028 2.489 1.00 0.00 N ATOM 906 CA ALA A 63 -0.462 -8.455 1.619 1.00 0.00 C ATOM 907 C ALA A 63 0.761 -8.847 2.443 1.00 0.00 C ATOM 908 O ALA A 63 1.537 -7.993 2.862 1.00 0.00 O ATOM 909 CB ALA A 63 -0.124 -7.341 0.634 1.00 0.00 C ATOM 0 H ALA A 63 -1.733 -7.029 2.441 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.782 -9.331 1.054 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.685 -7.667 -0.020 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.003 -7.107 0.034 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.188 -6.452 1.183 1.00 0.00 H new ATOM 915 N SER A 64 0.913 -10.146 2.674 1.00 0.00 N ATOM 916 CA SER A 64 1.990 -10.684 3.479 1.00 0.00 C ATOM 917 C SER A 64 3.359 -10.195 2.987 1.00 0.00 C ATOM 918 O SER A 64 3.821 -10.579 1.912 1.00 0.00 O ATOM 919 CB SER A 64 1.877 -12.203 3.433 1.00 0.00 C ATOM 920 OG SER A 64 0.560 -12.609 3.787 1.00 0.00 O ATOM 0 H SER A 64 0.284 -10.857 2.302 1.00 0.00 H new ATOM 0 HA SER A 64 1.906 -10.336 4.508 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.120 -12.563 2.433 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.599 -12.649 4.117 1.00 0.00 H new ATOM 0 HG SER A 64 0.499 -13.586 3.752 1.00 0.00 H new ATOM 926 N CYS A 65 3.982 -9.327 3.782 1.00 0.00 N ATOM 927 CA CYS A 65 5.213 -8.651 3.391 1.00 0.00 C ATOM 928 C CYS A 65 6.468 -9.417 3.784 1.00 0.00 C ATOM 929 O CYS A 65 6.495 -10.136 4.787 1.00 0.00 O ATOM 930 CB CYS A 65 5.274 -7.277 4.045 1.00 0.00 C ATOM 931 SG CYS A 65 5.201 -7.342 5.850 1.00 0.00 S ATOM 0 H CYS A 65 3.647 -9.075 4.712 1.00 0.00 H new ATOM 0 HA CYS A 65 5.190 -8.577 2.304 1.00 0.00 H new ATOM 0 HB2 CYS A 65 6.195 -6.779 3.743 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.448 -6.669 3.676 1.00 0.00 H new ATOM 0 HG CYS A 65 4.136 -6.722 6.264 1.00 0.00 H new ATOM 937 N GLN A 66 7.505 -9.243 2.976 1.00 0.00 N ATOM 938 CA GLN A 66 8.845 -9.702 3.299 1.00 0.00 C ATOM 939 C GLN A 66 9.849 -8.588 3.006 1.00 0.00 C ATOM 940 O GLN A 66 9.767 -7.945 1.960 1.00 0.00 O ATOM 941 CB GLN A 66 9.201 -10.932 2.470 1.00 0.00 C ATOM 942 CG GLN A 66 8.172 -12.043 2.568 1.00 0.00 C ATOM 943 CD GLN A 66 8.705 -13.402 2.139 1.00 0.00 C ATOM 944 OE1 GLN A 66 7.958 -14.230 1.622 1.00 0.00 O ATOM 945 NE2 GLN A 66 9.985 -13.659 2.369 1.00 0.00 N ATOM 0 H GLN A 66 7.437 -8.776 2.072 1.00 0.00 H new ATOM 0 HA GLN A 66 8.880 -9.965 4.356 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.310 -10.638 1.426 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.169 -11.313 2.796 1.00 0.00 H new ATOM 0 HG2 GLN A 66 7.817 -12.109 3.596 1.00 0.00 H new ATOM 0 HG3 GLN A 66 7.312 -11.787 1.949 1.00 0.00 H new ATOM 0 HE21 GLN A 66 10.578 -12.950 2.800 1.00 0.00 H new ATOM 0 HE22 GLN A 66 10.377 -14.566 2.115 1.00 0.00 H new ATOM 954 N ASN A 67 10.786 -8.354 3.920 1.00 0.00 N ATOM 955 CA ASN A 67 11.796 -7.347 3.734 1.00 0.00 C ATOM 956 C ASN A 67 12.974 -7.891 2.931 1.00 0.00 C ATOM 957 O ASN A 67 13.365 -9.049 3.086 1.00 0.00 O ATOM 958 CB ASN A 67 12.270 -6.818 5.086 1.00 0.00 C ATOM 959 CG ASN A 67 12.343 -7.866 6.183 1.00 0.00 C ATOM 960 OD1 ASN A 67 12.525 -9.057 5.930 1.00 0.00 O ATOM 961 ND2 ASN A 67 12.220 -7.417 7.423 1.00 0.00 N ATOM 0 H ASN A 67 10.857 -8.861 4.802 1.00 0.00 H new ATOM 0 HA ASN A 67 11.356 -6.525 3.169 1.00 0.00 H new ATOM 0 HB2 ASN A 67 13.257 -6.372 4.961 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.598 -6.022 5.406 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.275 -8.066 8.208 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.070 -6.422 7.593 1.00 0.00 H new ATOM 968 N ALA A 68 13.522 -7.049 2.071 1.00 0.00 N ATOM 969 CA ALA A 68 14.630 -7.425 1.205 1.00 0.00 C ATOM 970 C ALA A 68 15.386 -6.188 0.760 1.00 0.00 C ATOM 971 O ALA A 68 14.911 -5.066 0.936 1.00 0.00 O ATOM 972 CB ALA A 68 14.137 -8.208 0.001 1.00 0.00 C ATOM 0 H ALA A 68 13.212 -6.085 1.952 1.00 0.00 H new ATOM 0 HA ALA A 68 15.305 -8.067 1.770 1.00 0.00 H new ATOM 0 HB1 ALA A 68 14.984 -8.477 -0.630 1.00 0.00 H new ATOM 0 HB2 ALA A 68 13.633 -9.114 0.338 1.00 0.00 H new ATOM 0 HB3 ALA A 68 13.439 -7.596 -0.570 1.00 0.00 H new ATOM 978 N GLU A 69 16.570 -6.395 0.214 1.00 0.00 N ATOM 979 CA GLU A 69 17.418 -5.298 -0.230 1.00 0.00 C ATOM 980 C GLU A 69 17.693 -5.403 -1.733 1.00 0.00 C ATOM 981 O GLU A 69 17.865 -6.502 -2.261 1.00 0.00 O ATOM 982 CB GLU A 69 18.735 -5.325 0.546 1.00 0.00 C ATOM 983 CG GLU A 69 19.719 -4.242 0.139 1.00 0.00 C ATOM 984 CD GLU A 69 19.167 -2.856 0.360 1.00 0.00 C ATOM 985 OE1 GLU A 69 19.219 -2.359 1.503 1.00 0.00 O ATOM 986 OE2 GLU A 69 18.658 -2.269 -0.609 1.00 0.00 O ATOM 0 H GLU A 69 16.971 -7.321 0.065 1.00 0.00 H new ATOM 0 HA GLU A 69 16.904 -4.356 -0.041 1.00 0.00 H new ATOM 0 HB2 GLU A 69 18.519 -5.223 1.610 1.00 0.00 H new ATOM 0 HB3 GLU A 69 19.205 -6.298 0.408 1.00 0.00 H new ATOM 0 HG2 GLU A 69 20.641 -4.359 0.709 1.00 0.00 H new ATOM 0 HG3 GLU A 69 19.977 -4.365 -0.913 1.00 0.00 H new ATOM 993 N SER A 70 17.741 -4.256 -2.399 1.00 0.00 N ATOM 994 CA SER A 70 18.004 -4.179 -3.834 1.00 0.00 C ATOM 995 C SER A 70 18.325 -2.742 -4.235 1.00 0.00 C ATOM 996 O SER A 70 18.146 -1.825 -3.433 1.00 0.00 O ATOM 997 CB SER A 70 16.802 -4.689 -4.632 1.00 0.00 C ATOM 998 OG SER A 70 16.976 -6.043 -5.004 1.00 0.00 O ATOM 0 H SER A 70 17.598 -3.347 -1.958 1.00 0.00 H new ATOM 0 HA SER A 70 18.863 -4.811 -4.059 1.00 0.00 H new ATOM 0 HB2 SER A 70 15.895 -4.586 -4.036 1.00 0.00 H new ATOM 0 HB3 SER A 70 16.668 -4.078 -5.524 1.00 0.00 H new ATOM 0 HG SER A 70 17.306 -6.554 -4.235 1.00 0.00 H new ATOM 1004 N THR A 71 18.796 -2.532 -5.459 1.00 0.00 N ATOM 1005 CA THR A 71 19.084 -1.181 -5.922 1.00 0.00 C ATOM 1006 C THR A 71 17.792 -0.382 -6.035 1.00 0.00 C ATOM 1007 O THR A 71 17.730 0.796 -5.672 1.00 0.00 O ATOM 1008 CB THR A 71 19.838 -1.182 -7.271 1.00 0.00 C ATOM 1009 OG1 THR A 71 19.416 -2.288 -8.086 1.00 0.00 O ATOM 1010 CG2 THR A 71 21.340 -1.257 -7.043 1.00 0.00 C ATOM 0 H THR A 71 18.984 -3.268 -6.139 1.00 0.00 H new ATOM 0 HA THR A 71 19.736 -0.710 -5.187 1.00 0.00 H new ATOM 0 HB THR A 71 19.604 -0.252 -7.789 1.00 0.00 H new ATOM 0 HG1 THR A 71 18.477 -2.494 -7.897 1.00 0.00 H new ATOM 0 HG21 THR A 71 21.854 -1.257 -8.004 1.00 0.00 H new ATOM 0 HG22 THR A 71 21.663 -0.396 -6.458 1.00 0.00 H new ATOM 0 HG23 THR A 71 21.581 -2.173 -6.503 1.00 0.00 H new ATOM 1018 N GLU A 72 16.761 -1.053 -6.512 1.00 0.00 N ATOM 1019 CA GLU A 72 15.430 -0.495 -6.579 1.00 0.00 C ATOM 1020 C GLU A 72 14.781 -0.603 -5.213 1.00 0.00 C ATOM 1021 O GLU A 72 14.667 -1.699 -4.669 1.00 0.00 O ATOM 1022 CB GLU A 72 14.569 -1.269 -7.582 1.00 0.00 C ATOM 1023 CG GLU A 72 15.200 -1.483 -8.950 1.00 0.00 C ATOM 1024 CD GLU A 72 16.051 -2.739 -9.053 1.00 0.00 C ATOM 1025 OE1 GLU A 72 16.921 -2.963 -8.188 1.00 0.00 O ATOM 1026 OE2 GLU A 72 15.863 -3.506 -10.022 1.00 0.00 O ATOM 0 H GLU A 72 16.827 -2.007 -6.866 1.00 0.00 H new ATOM 0 HA GLU A 72 15.504 0.545 -6.895 1.00 0.00 H new ATOM 0 HB2 GLU A 72 14.329 -2.242 -7.155 1.00 0.00 H new ATOM 0 HB3 GLU A 72 13.627 -0.737 -7.714 1.00 0.00 H new ATOM 0 HG2 GLU A 72 14.410 -1.530 -9.699 1.00 0.00 H new ATOM 0 HG3 GLU A 72 15.817 -0.618 -9.192 1.00 0.00 H new ATOM 1033 N ASN A 73 14.351 0.523 -4.663 1.00 0.00 N ATOM 1034 CA ASN A 73 13.695 0.532 -3.366 1.00 0.00 C ATOM 1035 C ASN A 73 12.350 -0.173 -3.481 1.00 0.00 C ATOM 1036 O ASN A 73 11.866 -0.780 -2.529 1.00 0.00 O ATOM 1037 CB ASN A 73 13.462 1.966 -2.873 1.00 0.00 C ATOM 1038 CG ASN A 73 14.604 2.931 -3.167 1.00 0.00 C ATOM 1039 OD1 ASN A 73 14.368 4.100 -3.460 1.00 0.00 O ATOM 1040 ND2 ASN A 73 15.845 2.481 -3.058 1.00 0.00 N ATOM 0 H ASN A 73 14.445 1.442 -5.096 1.00 0.00 H new ATOM 0 HA ASN A 73 14.339 0.018 -2.653 1.00 0.00 H new ATOM 0 HB2 ASN A 73 12.551 2.351 -3.332 1.00 0.00 H new ATOM 0 HB3 ASN A 73 13.291 1.943 -1.797 1.00 0.00 H new ATOM 0 HD21 ASN A 73 16.632 3.110 -3.219 1.00 0.00 H new ATOM 0 HD22 ASN A 73 16.014 1.505 -2.813 1.00 0.00 H new ATOM 1047 N SER A 74 11.782 -0.105 -4.677 1.00 0.00 N ATOM 1048 CA SER A 74 10.439 -0.599 -4.931 1.00 0.00 C ATOM 1049 C SER A 74 10.408 -2.112 -5.127 1.00 0.00 C ATOM 1050 O SER A 74 9.403 -2.760 -4.848 1.00 0.00 O ATOM 1051 CB SER A 74 9.879 0.098 -6.170 1.00 0.00 C ATOM 1052 OG SER A 74 10.169 1.488 -6.141 1.00 0.00 O ATOM 0 H SER A 74 12.240 0.294 -5.497 1.00 0.00 H new ATOM 0 HA SER A 74 9.826 -0.376 -4.058 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.306 -0.348 -7.068 1.00 0.00 H new ATOM 0 HB3 SER A 74 8.801 -0.052 -6.221 1.00 0.00 H new ATOM 0 HG SER A 74 9.803 1.915 -6.944 1.00 0.00 H new ATOM 1058 N LYS A 75 11.515 -2.678 -5.590 1.00 0.00 N ATOM 1059 CA LYS A 75 11.551 -4.099 -5.920 1.00 0.00 C ATOM 1060 C LYS A 75 12.002 -4.933 -4.729 1.00 0.00 C ATOM 1061 O LYS A 75 12.090 -6.158 -4.818 1.00 0.00 O ATOM 1062 CB LYS A 75 12.484 -4.362 -7.098 1.00 0.00 C ATOM 1063 CG LYS A 75 12.204 -3.499 -8.314 1.00 0.00 C ATOM 1064 CD LYS A 75 12.886 -4.063 -9.534 1.00 0.00 C ATOM 1065 CE LYS A 75 12.688 -3.181 -10.750 1.00 0.00 C ATOM 1066 NZ LYS A 75 13.628 -3.537 -11.843 1.00 0.00 N ATOM 0 H LYS A 75 12.393 -2.182 -5.745 1.00 0.00 H new ATOM 0 HA LYS A 75 10.536 -4.390 -6.192 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.512 -4.196 -6.777 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.404 -5.411 -7.384 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.129 -3.441 -8.486 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.553 -2.482 -8.133 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.952 -4.174 -9.335 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.495 -5.059 -9.741 1.00 0.00 H new ATOM 0 HE2 LYS A 75 11.662 -3.276 -11.106 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.833 -2.137 -10.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.596 -2.805 -12.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 14.594 -3.603 -11.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.354 -4.453 -12.252 1.00 0.00 H new ATOM 1080 N LYS A 76 12.288 -4.272 -3.616 1.00 0.00 N ATOM 1081 CA LYS A 76 12.825 -4.958 -2.451 1.00 0.00 C ATOM 1082 C LYS A 76 11.749 -5.748 -1.727 1.00 0.00 C ATOM 1083 O LYS A 76 11.859 -6.959 -1.568 1.00 0.00 O ATOM 1084 CB LYS A 76 13.459 -3.975 -1.468 1.00 0.00 C ATOM 1085 CG LYS A 76 14.557 -3.116 -2.053 1.00 0.00 C ATOM 1086 CD LYS A 76 15.308 -2.404 -0.950 1.00 0.00 C ATOM 1087 CE LYS A 76 15.898 -1.090 -1.418 1.00 0.00 C ATOM 1088 NZ LYS A 76 16.850 -0.515 -0.431 1.00 0.00 N ATOM 0 H LYS A 76 12.158 -3.267 -3.496 1.00 0.00 H new ATOM 0 HA LYS A 76 13.589 -5.643 -2.819 1.00 0.00 H new ATOM 0 HB2 LYS A 76 12.679 -3.324 -1.072 1.00 0.00 H new ATOM 0 HB3 LYS A 76 13.865 -4.535 -0.626 1.00 0.00 H new ATOM 0 HG2 LYS A 76 15.244 -3.735 -2.630 1.00 0.00 H new ATOM 0 HG3 LYS A 76 14.130 -2.387 -2.742 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.634 -2.221 -0.113 1.00 0.00 H new ATOM 0 HD3 LYS A 76 16.106 -3.048 -0.581 1.00 0.00 H new ATOM 0 HE2 LYS A 76 16.411 -1.242 -2.368 1.00 0.00 H new ATOM 0 HE3 LYS A 76 15.093 -0.378 -1.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 16.966 0.502 -0.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 16.480 -0.655 0.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 17.771 -0.990 -0.520 1.00 0.00 H new ATOM 1102 N ILE A 77 10.706 -5.060 -1.296 1.00 0.00 N ATOM 1103 CA ILE A 77 9.709 -5.668 -0.435 1.00 0.00 C ATOM 1104 C ILE A 77 8.743 -6.529 -1.232 1.00 0.00 C ATOM 1105 O ILE A 77 8.365 -6.198 -2.357 1.00 0.00 O ATOM 1106 CB ILE A 77 8.927 -4.604 0.358 1.00 0.00 C ATOM 1107 CG1 ILE A 77 9.893 -3.677 1.096 1.00 0.00 C ATOM 1108 CG2 ILE A 77 7.983 -5.250 1.358 1.00 0.00 C ATOM 1109 CD1 ILE A 77 10.780 -4.401 2.082 1.00 0.00 C ATOM 0 H ILE A 77 10.529 -4.083 -1.528 1.00 0.00 H new ATOM 0 HA ILE A 77 10.243 -6.304 0.271 1.00 0.00 H new ATOM 0 HB ILE A 77 8.338 -4.025 -0.353 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.518 -3.160 0.367 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.321 -2.914 1.624 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.444 -4.475 1.903 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.271 -5.883 0.829 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.556 -5.856 2.060 1.00 0.00 H new ATOM 0 HD11 ILE A 77 11.441 -3.685 2.571 1.00 0.00 H new ATOM 0 HD12 ILE A 77 10.163 -4.896 2.832 1.00 0.00 H new ATOM 0 HD13 ILE A 77 11.377 -5.145 1.556 1.00 0.00 H new ATOM 1121 N ILE A 78 8.362 -7.635 -0.629 1.00 0.00 N ATOM 1122 CA ILE A 78 7.440 -8.582 -1.236 1.00 0.00 C ATOM 1123 C ILE A 78 6.081 -8.470 -0.574 1.00 0.00 C ATOM 1124 O ILE A 78 5.988 -8.447 0.649 1.00 0.00 O ATOM 1125 CB ILE A 78 7.952 -10.042 -1.127 1.00 0.00 C ATOM 1126 CG1 ILE A 78 9.118 -10.281 -2.089 1.00 0.00 C ATOM 1127 CG2 ILE A 78 6.836 -11.043 -1.395 1.00 0.00 C ATOM 1128 CD1 ILE A 78 10.448 -9.770 -1.587 1.00 0.00 C ATOM 0 H ILE A 78 8.682 -7.907 0.300 1.00 0.00 H new ATOM 0 HA ILE A 78 7.363 -8.334 -2.295 1.00 0.00 H new ATOM 0 HB ILE A 78 8.303 -10.191 -0.106 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.202 -11.350 -2.283 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.893 -9.801 -3.042 1.00 0.00 H new ATOM 0 HG21 ILE A 78 7.228 -12.056 -1.311 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.037 -10.901 -0.667 1.00 0.00 H new ATOM 0 HG23 ILE A 78 6.442 -10.889 -2.400 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.221 -9.979 -2.327 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.385 -8.695 -1.421 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.699 -10.268 -0.650 1.00 0.00 H new ATOM 1140 N CYS A 79 5.040 -8.369 -1.382 1.00 0.00 N ATOM 1141 CA CYS A 79 3.683 -8.325 -0.882 1.00 0.00 C ATOM 1142 C CYS A 79 2.872 -9.480 -1.454 1.00 0.00 C ATOM 1143 O CYS A 79 3.076 -9.893 -2.597 1.00 0.00 O ATOM 1144 CB CYS A 79 3.051 -6.986 -1.237 1.00 0.00 C ATOM 1145 SG CYS A 79 3.602 -6.336 -2.825 1.00 0.00 S ATOM 0 H CYS A 79 5.114 -8.316 -2.398 1.00 0.00 H new ATOM 0 HA CYS A 79 3.694 -8.428 0.203 1.00 0.00 H new ATOM 0 HB2 CYS A 79 1.967 -7.097 -1.254 1.00 0.00 H new ATOM 0 HB3 CYS A 79 3.285 -6.263 -0.455 1.00 0.00 H new ATOM 0 HG CYS A 79 2.754 -6.675 -3.750 1.00 0.00 H new ATOM 1151 N THR A 80 1.967 -10.010 -0.657 1.00 0.00 N ATOM 1152 CA THR A 80 1.190 -11.166 -1.063 1.00 0.00 C ATOM 1153 C THR A 80 -0.290 -11.023 -0.723 1.00 0.00 C ATOM 1154 O THR A 80 -0.671 -11.038 0.448 1.00 0.00 O ATOM 1155 CB THR A 80 1.743 -12.443 -0.402 1.00 0.00 C ATOM 1156 OG1 THR A 80 2.948 -12.853 -1.058 1.00 0.00 O ATOM 1157 CG2 THR A 80 0.715 -13.560 -0.436 1.00 0.00 C ATOM 0 H THR A 80 1.750 -9.660 0.276 1.00 0.00 H new ATOM 0 HA THR A 80 1.278 -11.238 -2.147 1.00 0.00 H new ATOM 0 HB THR A 80 1.966 -12.221 0.642 1.00 0.00 H new ATOM 0 HG1 THR A 80 3.293 -13.664 -0.630 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.130 -14.450 0.037 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.180 -13.247 0.102 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.457 -13.785 -1.471 1.00 0.00 H new ATOM 1165 N CYS A 81 -1.117 -10.890 -1.745 1.00 0.00 N ATOM 1166 CA CYS A 81 -2.548 -10.983 -1.564 1.00 0.00 C ATOM 1167 C CYS A 81 -2.956 -12.439 -1.745 1.00 0.00 C ATOM 1168 O CYS A 81 -2.333 -13.176 -2.512 1.00 0.00 O ATOM 1169 CB CYS A 81 -3.278 -10.084 -2.558 1.00 0.00 C ATOM 1170 SG CYS A 81 -2.925 -10.465 -4.288 1.00 0.00 S ATOM 0 H CYS A 81 -0.820 -10.718 -2.705 1.00 0.00 H new ATOM 0 HA CYS A 81 -2.820 -10.645 -0.564 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -4.351 -10.169 -2.389 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -3.006 -9.047 -2.362 1.00 0.00 H new ATOM 0 HG CYS A 81 -3.669 -9.725 -5.056 1.00 0.00 H new ATOM 1176 N LYS A 82 -3.985 -12.852 -1.040 1.00 0.00 N ATOM 1177 CA LYS A 82 -4.333 -14.255 -0.950 1.00 0.00 C ATOM 1178 C LYS A 82 -5.734 -14.507 -1.506 1.00 0.00 C ATOM 1179 O LYS A 82 -6.350 -13.606 -2.075 1.00 0.00 O ATOM 1180 CB LYS A 82 -4.199 -14.690 0.506 1.00 0.00 C ATOM 1181 CG LYS A 82 -2.776 -14.524 1.025 1.00 0.00 C ATOM 1182 CD LYS A 82 -2.673 -14.709 2.528 1.00 0.00 C ATOM 1183 CE LYS A 82 -2.904 -16.153 2.943 1.00 0.00 C ATOM 1184 NZ LYS A 82 -2.617 -16.362 4.386 1.00 0.00 N ATOM 0 H LYS A 82 -4.601 -12.231 -0.516 1.00 0.00 H new ATOM 0 HA LYS A 82 -3.655 -14.853 -1.559 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -4.880 -14.104 1.123 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.500 -15.733 0.601 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.127 -15.246 0.529 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.411 -13.532 0.760 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.687 -14.388 2.866 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -3.403 -14.069 3.023 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.937 -16.431 2.733 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.270 -16.809 2.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.786 -17.358 4.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.625 -16.120 4.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -3.240 -15.754 4.955 1.00 0.00 H new ATOM 1198 N GLU A 83 -6.226 -15.729 -1.389 1.00 0.00 N ATOM 1199 CA GLU A 83 -7.549 -16.065 -1.913 1.00 0.00 C ATOM 1200 C GLU A 83 -8.665 -15.225 -1.273 1.00 0.00 C ATOM 1201 O GLU A 83 -9.510 -14.689 -1.993 1.00 0.00 O ATOM 1202 CB GLU A 83 -7.843 -17.558 -1.745 1.00 0.00 C ATOM 1203 CG GLU A 83 -9.224 -17.960 -2.236 1.00 0.00 C ATOM 1204 CD GLU A 83 -9.511 -19.429 -2.026 1.00 0.00 C ATOM 1205 OE1 GLU A 83 -9.725 -19.837 -0.865 1.00 0.00 O ATOM 1206 OE2 GLU A 83 -9.522 -20.185 -3.018 1.00 0.00 O ATOM 0 H GLU A 83 -5.737 -16.503 -0.940 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.533 -15.826 -2.976 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -7.091 -18.132 -2.287 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.748 -17.823 -0.692 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.977 -17.368 -1.715 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -9.311 -17.725 -3.297 1.00 0.00 H new ATOM 1213 N PRO A 84 -8.697 -15.080 0.072 1.00 0.00 N ATOM 1214 CA PRO A 84 -9.731 -14.284 0.752 1.00 0.00 C ATOM 1215 C PRO A 84 -9.646 -12.786 0.452 1.00 0.00 C ATOM 1216 O PRO A 84 -10.391 -11.991 1.024 1.00 0.00 O ATOM 1217 CB PRO A 84 -9.448 -14.524 2.238 1.00 0.00 C ATOM 1218 CG PRO A 84 -8.013 -14.891 2.288 1.00 0.00 C ATOM 1219 CD PRO A 84 -7.765 -15.686 1.045 1.00 0.00 C ATOM 0 HA PRO A 84 -10.727 -14.581 0.423 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -9.650 -13.631 2.830 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -10.076 -15.320 2.638 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -7.381 -14.004 2.320 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.787 -15.475 3.180 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -6.729 -15.607 0.715 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -7.971 -16.746 1.196 1.00 0.00 H new ATOM 1227 N THR A 85 -8.749 -12.395 -0.444 1.00 0.00 N ATOM 1228 CA THR A 85 -8.547 -10.983 -0.714 1.00 0.00 C ATOM 1229 C THR A 85 -8.906 -10.625 -2.161 1.00 0.00 C ATOM 1230 O THR A 85 -8.189 -10.968 -3.103 1.00 0.00 O ATOM 1231 CB THR A 85 -7.106 -10.531 -0.369 1.00 0.00 C ATOM 1232 OG1 THR A 85 -6.147 -11.244 -1.146 1.00 0.00 O ATOM 1233 CG2 THR A 85 -6.815 -10.753 1.111 1.00 0.00 C ATOM 0 H THR A 85 -8.160 -13.026 -0.987 1.00 0.00 H new ATOM 0 HA THR A 85 -9.227 -10.437 -0.061 1.00 0.00 H new ATOM 0 HB THR A 85 -7.031 -9.468 -0.599 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.591 -11.975 -1.624 1.00 0.00 H new ATOM 0 HG21 THR A 85 -5.798 -10.430 1.334 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.519 -10.176 1.711 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.919 -11.812 1.347 1.00 0.00 H new ATOM 1241 N PRO A 86 -10.066 -9.953 -2.326 1.00 0.00 N ATOM 1242 CA PRO A 86 -10.598 -9.470 -3.618 1.00 0.00 C ATOM 1243 C PRO A 86 -9.595 -8.746 -4.539 1.00 0.00 C ATOM 1244 O PRO A 86 -9.851 -8.636 -5.735 1.00 0.00 O ATOM 1245 CB PRO A 86 -11.716 -8.513 -3.145 1.00 0.00 C ATOM 1246 CG PRO A 86 -12.244 -9.203 -1.951 1.00 0.00 C ATOM 1247 CD PRO A 86 -11.012 -9.647 -1.229 1.00 0.00 C ATOM 0 HA PRO A 86 -10.910 -10.299 -4.252 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -11.328 -7.524 -2.903 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.483 -8.377 -3.907 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -12.850 -8.536 -1.338 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -12.876 -10.048 -2.223 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -10.627 -8.867 -0.572 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -11.203 -10.522 -0.607 1.00 0.00 H new ATOM 1255 N ASN A 87 -8.467 -8.254 -4.021 1.00 0.00 N ATOM 1256 CA ASN A 87 -7.579 -7.426 -4.831 1.00 0.00 C ATOM 1257 C ASN A 87 -6.184 -7.279 -4.239 1.00 0.00 C ATOM 1258 O ASN A 87 -5.942 -7.659 -3.101 1.00 0.00 O ATOM 1259 CB ASN A 87 -8.244 -6.079 -4.926 1.00 0.00 C ATOM 1260 CG ASN A 87 -7.402 -4.937 -5.480 1.00 0.00 C ATOM 1261 OD1 ASN A 87 -6.634 -4.311 -4.756 1.00 0.00 O ATOM 1262 ND2 ASN A 87 -7.602 -4.603 -6.737 1.00 0.00 N ATOM 0 H ASN A 87 -8.154 -8.412 -3.063 1.00 0.00 H new ATOM 0 HA ASN A 87 -7.431 -7.895 -5.804 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -9.131 -6.181 -5.551 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -8.586 -5.797 -3.930 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -7.112 -3.803 -7.136 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -8.247 -5.145 -7.312 1.00 0.00 H new ATOM 1269 N ALA A 88 -5.275 -6.764 -5.061 1.00 0.00 N ATOM 1270 CA ALA A 88 -4.009 -6.209 -4.603 1.00 0.00 C ATOM 1271 C ALA A 88 -3.687 -4.966 -5.426 1.00 0.00 C ATOM 1272 O ALA A 88 -3.338 -5.058 -6.606 1.00 0.00 O ATOM 1273 CB ALA A 88 -2.881 -7.221 -4.708 1.00 0.00 C ATOM 0 H ALA A 88 -5.399 -6.720 -6.073 1.00 0.00 H new ATOM 0 HA ALA A 88 -4.105 -5.944 -3.550 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.953 -6.769 -4.357 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.115 -8.092 -4.095 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -2.764 -7.529 -5.747 1.00 0.00 H new ATOM 1279 N TYR A 89 -3.822 -3.805 -4.804 1.00 0.00 N ATOM 1280 CA TYR A 89 -3.582 -2.539 -5.468 1.00 0.00 C ATOM 1281 C TYR A 89 -2.111 -2.216 -5.412 1.00 0.00 C ATOM 1282 O TYR A 89 -1.477 -2.412 -4.372 1.00 0.00 O ATOM 1283 CB TYR A 89 -4.340 -1.423 -4.769 1.00 0.00 C ATOM 1284 CG TYR A 89 -5.359 -0.711 -5.606 1.00 0.00 C ATOM 1285 CD1 TYR A 89 -4.990 0.285 -6.498 1.00 0.00 C ATOM 1286 CD2 TYR A 89 -6.696 -0.996 -5.458 1.00 0.00 C ATOM 1287 CE1 TYR A 89 -5.938 0.969 -7.231 1.00 0.00 C ATOM 1288 CE2 TYR A 89 -7.648 -0.316 -6.172 1.00 0.00 C ATOM 1289 CZ TYR A 89 -7.271 0.667 -7.062 1.00 0.00 C ATOM 1290 OH TYR A 89 -8.231 1.349 -7.776 1.00 0.00 O ATOM 0 H TYR A 89 -4.101 -3.717 -3.827 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.919 -2.621 -6.501 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -4.841 -1.840 -3.895 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.619 -0.691 -4.405 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.945 0.529 -6.621 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.001 -1.769 -4.768 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -5.637 1.734 -7.931 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -8.694 -0.550 -6.037 1.00 0.00 H new ATOM 0 HH TYR A 89 -8.763 1.900 -7.165 1.00 0.00 H new ATOM 1300 N TYR A 90 -1.572 -1.725 -6.513 1.00 0.00 N ATOM 1301 CA TYR A 90 -0.177 -1.330 -6.562 1.00 0.00 C ATOM 1302 C TYR A 90 0.708 -2.487 -6.141 1.00 0.00 C ATOM 1303 O TYR A 90 1.576 -2.350 -5.287 1.00 0.00 O ATOM 1304 CB TYR A 90 0.048 -0.079 -5.694 1.00 0.00 C ATOM 1305 CG TYR A 90 -0.521 1.171 -6.329 1.00 0.00 C ATOM 1306 CD1 TYR A 90 0.220 1.902 -7.251 1.00 0.00 C ATOM 1307 CD2 TYR A 90 -1.801 1.612 -6.020 1.00 0.00 C ATOM 1308 CE1 TYR A 90 -0.299 3.038 -7.842 1.00 0.00 C ATOM 1309 CE2 TYR A 90 -2.328 2.746 -6.609 1.00 0.00 C ATOM 1310 CZ TYR A 90 -1.571 3.456 -7.517 1.00 0.00 C ATOM 1311 OH TYR A 90 -2.094 4.587 -8.106 1.00 0.00 O ATOM 0 H TYR A 90 -2.081 -1.590 -7.387 1.00 0.00 H new ATOM 0 HA TYR A 90 0.094 -1.070 -7.585 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -0.412 -0.230 -4.718 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.116 0.056 -5.525 1.00 0.00 H new ATOM 0 HD1 TYR A 90 1.217 1.577 -7.509 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.395 1.059 -5.307 1.00 0.00 H new ATOM 0 HE1 TYR A 90 0.290 3.596 -8.555 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.326 3.074 -6.360 1.00 0.00 H new ATOM 0 HH TYR A 90 -3.001 4.742 -7.768 1.00 0.00 H new ATOM 1321 N GLU A 91 0.437 -3.645 -6.748 1.00 0.00 N ATOM 1322 CA GLU A 91 1.246 -4.851 -6.590 1.00 0.00 C ATOM 1323 C GLU A 91 1.052 -5.529 -5.236 1.00 0.00 C ATOM 1324 O GLU A 91 1.436 -6.683 -5.058 1.00 0.00 O ATOM 1325 CB GLU A 91 2.718 -4.517 -6.801 1.00 0.00 C ATOM 1326 CG GLU A 91 2.970 -3.634 -8.008 1.00 0.00 C ATOM 1327 CD GLU A 91 3.016 -4.411 -9.307 1.00 0.00 C ATOM 1328 OE1 GLU A 91 1.939 -4.698 -9.871 1.00 0.00 O ATOM 1329 OE2 GLU A 91 4.129 -4.741 -9.773 1.00 0.00 O ATOM 0 H GLU A 91 -0.361 -3.771 -7.371 1.00 0.00 H new ATOM 0 HA GLU A 91 0.910 -5.560 -7.346 1.00 0.00 H new ATOM 0 HB2 GLU A 91 3.101 -4.019 -5.910 1.00 0.00 H new ATOM 0 HB3 GLU A 91 3.280 -5.444 -6.915 1.00 0.00 H new ATOM 0 HG2 GLU A 91 2.186 -2.879 -8.070 1.00 0.00 H new ATOM 0 HG3 GLU A 91 3.913 -3.104 -7.874 1.00 0.00 H new ATOM 1336 N GLY A 92 0.435 -4.833 -4.299 1.00 0.00 N ATOM 1337 CA GLY A 92 0.320 -5.359 -2.953 1.00 0.00 C ATOM 1338 C GLY A 92 0.400 -4.281 -1.893 1.00 0.00 C ATOM 1339 O GLY A 92 0.630 -4.578 -0.722 1.00 0.00 O ATOM 0 H GLY A 92 0.012 -3.916 -4.442 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.627 -5.889 -2.855 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.112 -6.088 -2.784 1.00 0.00 H new ATOM 1343 N VAL A 93 0.217 -3.029 -2.293 1.00 0.00 N ATOM 1344 CA VAL A 93 0.233 -1.932 -1.341 1.00 0.00 C ATOM 1345 C VAL A 93 -1.118 -1.836 -0.654 1.00 0.00 C ATOM 1346 O VAL A 93 -1.226 -1.328 0.456 1.00 0.00 O ATOM 1347 CB VAL A 93 0.579 -0.584 -2.008 1.00 0.00 C ATOM 1348 CG1 VAL A 93 0.792 0.505 -0.972 1.00 0.00 C ATOM 1349 CG2 VAL A 93 1.812 -0.723 -2.883 1.00 0.00 C ATOM 0 H VAL A 93 0.057 -2.752 -3.262 1.00 0.00 H new ATOM 0 HA VAL A 93 1.013 -2.141 -0.609 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.266 -0.296 -2.633 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.034 1.442 -1.474 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.118 0.632 -0.385 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.613 0.224 -0.312 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.041 0.237 -3.345 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.657 -1.042 -2.273 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.625 -1.464 -3.660 1.00 0.00 H new ATOM 1359 N PHE A 94 -2.153 -2.325 -1.334 1.00 0.00 N ATOM 1360 CA PHE A 94 -3.498 -2.388 -0.765 1.00 0.00 C ATOM 1361 C PHE A 94 -4.206 -3.574 -1.330 1.00 0.00 C ATOM 1362 O PHE A 94 -3.671 -4.285 -2.179 1.00 0.00 O ATOM 1363 CB PHE A 94 -4.361 -1.164 -1.107 1.00 0.00 C ATOM 1364 CG PHE A 94 -3.608 0.103 -1.176 1.00 0.00 C ATOM 1365 CD1 PHE A 94 -2.798 0.353 -2.254 1.00 0.00 C ATOM 1366 CD2 PHE A 94 -3.699 1.030 -0.171 1.00 0.00 C ATOM 1367 CE1 PHE A 94 -2.079 1.500 -2.331 1.00 0.00 C ATOM 1368 CE2 PHE A 94 -2.985 2.192 -0.241 1.00 0.00 C ATOM 1369 CZ PHE A 94 -2.170 2.427 -1.319 1.00 0.00 C ATOM 0 H PHE A 94 -2.085 -2.686 -2.286 1.00 0.00 H new ATOM 0 HA PHE A 94 -3.371 -2.437 0.316 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -4.852 -1.335 -2.065 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -5.147 -1.067 -0.359 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -2.732 -0.373 -3.051 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -4.338 0.841 0.679 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -1.439 1.684 -3.181 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -3.062 2.924 0.550 1.00 0.00 H new ATOM 0 HZ PHE A 94 -1.599 3.342 -1.373 1.00 0.00 H new ATOM 1379 N CYS A 95 -5.418 -3.758 -0.880 1.00 0.00 N ATOM 1380 CA CYS A 95 -6.287 -4.726 -1.457 1.00 0.00 C ATOM 1381 C CYS A 95 -7.717 -4.171 -1.482 1.00 0.00 C ATOM 1382 O CYS A 95 -8.318 -3.928 -0.446 1.00 0.00 O ATOM 1383 CB CYS A 95 -6.183 -5.993 -0.632 1.00 0.00 C ATOM 1384 SG CYS A 95 -4.542 -6.753 -0.601 1.00 0.00 S ATOM 0 H CYS A 95 -5.823 -3.237 -0.102 1.00 0.00 H new ATOM 0 HA CYS A 95 -6.008 -4.953 -2.486 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -6.482 -5.767 0.392 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -6.896 -6.720 -1.019 1.00 0.00 H new ATOM 0 HG CYS A 95 -4.177 -6.948 0.631 1.00 0.00 H new ATOM 1390 N SER A 96 -8.253 -4.076 -2.686 1.00 0.00 N ATOM 1391 CA SER A 96 -9.517 -3.385 -3.010 1.00 0.00 C ATOM 1392 C SER A 96 -10.613 -4.321 -3.547 1.00 0.00 C ATOM 1393 O SER A 96 -10.456 -5.525 -3.630 1.00 0.00 O ATOM 1394 CB SER A 96 -9.246 -2.325 -4.062 1.00 0.00 C ATOM 1395 OG SER A 96 -9.236 -1.028 -3.493 1.00 0.00 O ATOM 0 H SER A 96 -7.812 -4.490 -3.507 1.00 0.00 H new ATOM 0 HA SER A 96 -9.882 -2.956 -2.077 1.00 0.00 H new ATOM 0 HB2 SER A 96 -8.287 -2.522 -4.541 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.008 -2.378 -4.840 1.00 0.00 H new ATOM 0 HG SER A 96 -8.687 -0.433 -4.045 1.00 0.00 H new ATOM 1401 N SER A 97 -11.775 -3.769 -3.824 1.00 0.00 N ATOM 1402 CA SER A 97 -12.819 -4.552 -4.449 1.00 0.00 C ATOM 1403 C SER A 97 -12.591 -4.588 -5.946 1.00 0.00 C ATOM 1404 O SER A 97 -13.111 -3.750 -6.684 1.00 0.00 O ATOM 1405 CB SER A 97 -14.197 -3.981 -4.145 1.00 0.00 C ATOM 1406 OG SER A 97 -15.239 -4.725 -4.764 1.00 0.00 O ATOM 0 H SER A 97 -12.018 -2.798 -3.630 1.00 0.00 H new ATOM 0 HA SER A 97 -12.781 -5.564 -4.045 1.00 0.00 H new ATOM 0 HB2 SER A 97 -14.353 -3.970 -3.066 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.242 -2.946 -4.484 1.00 0.00 H new ATOM 0 HG SER A 97 -16.105 -4.324 -4.540 1.00 0.00 H new