USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 755 hydrogens (62 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 50 LYS NZ :NH3+ -115:sc= -2.39! (180deg=-7.98!) USER MOD Set 1.2: A 87 COA OAP : rot 180:sc= 0.453 USER MOD Set 2.1: A 30 HIS : no HD1:sc= -3.53! X(o=-18!,f=-19) USER MOD Set 2.2: A 33 GLN : amide:sc= -14.6! C(o=-18!,f=-19!) USER MOD Set 3.1: A 28 TYR OH : rot 8:sc= 1.22 USER MOD Set 3.2: A 32 LYS NZ :NH3+ 156:sc= 0.205! (180deg=-0.667!) USER MOD Set 3.3: A 87 COA O2B : rot 171:sc= 0.633 USER MOD Single : A 1 SER N :NH3+ 145:sc= 1.1 (180deg=0.294) USER MOD Single : A 1 SER OG : rot 180:sc= 0.12 USER MOD Single : A 2 GLN : amide:sc= -6.97! K(o=-7!,f=-3.1) USER MOD Single : A 7 LYS NZ :NH3+ 172:sc= -3.07! (180deg=-3.48!) USER MOD Single : A 13 LYS NZ :NH3+ -138:sc= 1.05 (180deg=-1.87!) USER MOD Single : A 14 HIS : no HE2:sc= -2.06! C(o=-2.1!,f=-6.1!) USER MOD Single : A 16 LYS NZ :NH3+ -122:sc= 2.13 (180deg=-0.406) USER MOD Single : A 17 THR OG1 : rot 19:sc= 0.651 USER MOD Single : A 18 LYS NZ :NH3+ 136:sc= 1.43 (180deg=-2.18!) USER MOD Single : A 24 MET CE :methyl -132:sc= -5.81! (180deg=-10.3!) USER MOD Single : A 29 SER OG : rot 87:sc= -0.149 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -83:sc= -0.425 USER MOD Single : A 40 ASN : amide:sc= -0.455 X(o=-0.45,f=-0.33) USER MOD Single : A 41 THR OG1 : rot 102:sc= 1.74 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -130:sc= -2.04! (180deg=-6.47!) USER MOD Single : A 54 LYS NZ :NH3+ 174:sc= -4.16! (180deg=-4.4!) USER MOD Single : A 59 ASN : amide:sc= -2.07 K(o=-2.1,f=-6.7!) USER MOD Single : A 62 LYS NZ :NH3+ -150:sc= 1.15 (180deg=-0.664) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 93:sc= 1.02 USER MOD Single : A 66 LYS NZ :NH3+ 139:sc= 0.206 (180deg=-1.91) USER MOD Single : A 70 MET CE :methyl 164:sc= 0 (180deg=-0.226) USER MOD Single : A 71 LYS NZ :NH3+ -124:sc= -6.5! (180deg=-8.52!) USER MOD Single : A 73 TYR OH : rot 47:sc= -2.29! USER MOD Single : A 76 LYS NZ :NH3+ -169:sc= 0.953 (180deg=0.557) USER MOD Single : A 81 LYS NZ :NH3+ 146:sc= 0.481! (180deg=-3.46!) USER MOD Single : A 82 LYS NZ :NH3+ 152:sc= -4.2! (180deg=-8.23!) USER MOD Single : A 83 LYS NZ :NH3+ -115:sc= -3.92! (180deg=-9.16!) USER MOD Single : A 84 TYR OH : rot 165:sc= 0.481 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 1.104 3.986 -7.177 1.00 2.90 N ATOM 2 CA SER A 1 2.082 4.459 -6.132 1.00 2.31 C ATOM 3 C SER A 1 1.568 4.052 -4.745 1.00 1.62 C ATOM 4 O SER A 1 1.153 4.858 -3.937 1.00 2.23 O ATOM 5 CB SER A 1 2.224 6.014 -6.166 1.00 3.12 C ATOM 6 OG SER A 1 2.146 6.351 -7.551 1.00 3.74 O ATOM 0 H1 SER A 1 1.065 4.676 -7.954 1.00 2.90 H new ATOM 0 H2 SER A 1 1.411 3.064 -7.548 1.00 2.90 H new ATOM 0 H3 SER A 1 0.160 3.890 -6.751 1.00 2.90 H new ATOM 0 HA SER A 1 3.052 4.006 -6.337 1.00 2.31 H new ATOM 0 HB2 SER A 1 1.431 6.497 -5.595 1.00 3.12 H new ATOM 0 HB3 SER A 1 3.171 6.335 -5.732 1.00 3.12 H new ATOM 0 HG SER A 1 2.226 7.322 -7.656 1.00 3.74 H new ATOM 14 N GLN A 2 1.626 2.770 -4.538 1.00 0.66 N ATOM 15 CA GLN A 2 1.196 2.072 -3.272 1.00 0.52 C ATOM 16 C GLN A 2 2.356 2.295 -2.283 1.00 0.76 C ATOM 17 O GLN A 2 2.643 1.375 -1.558 1.00 1.75 O ATOM 18 CB GLN A 2 1.106 0.594 -3.598 1.00 0.99 C ATOM 19 CG GLN A 2 2.580 0.245 -4.150 1.00 1.15 C ATOM 20 CD GLN A 2 2.960 -1.216 -4.046 1.00 1.26 C ATOM 21 OE1 GLN A 2 2.183 -2.130 -4.193 1.00 1.76 O ATOM 22 NE2 GLN A 2 4.197 -1.459 -3.788 1.00 1.44 N ATOM 0 H GLN A 2 1.979 2.123 -5.243 1.00 0.66 H new ATOM 0 HA GLN A 2 0.247 2.428 -2.872 1.00 0.52 H new ATOM 0 HB2 GLN A 2 0.856 0.002 -2.717 1.00 0.99 H new ATOM 0 HB3 GLN A 2 0.339 0.393 -4.346 1.00 0.99 H new ATOM 0 HG2 GLN A 2 2.645 0.551 -5.194 1.00 1.15 H new ATOM 0 HG3 GLN A 2 3.310 0.837 -3.599 1.00 1.15 H new ATOM 0 HE21 GLN A 2 4.853 -0.688 -3.664 1.00 1.44 H new ATOM 0 HE22 GLN A 2 4.521 -2.423 -3.708 1.00 1.44 H new ATOM 31 N ALA A 3 2.918 3.465 -2.225 1.00 0.34 N ATOM 32 CA ALA A 3 4.091 3.798 -1.353 1.00 0.33 C ATOM 33 C ALA A 3 4.705 2.751 -0.381 1.00 0.66 C ATOM 34 O ALA A 3 4.968 2.945 0.786 1.00 1.29 O ATOM 35 CB ALA A 3 3.602 4.938 -0.666 1.00 0.49 C ATOM 0 H ALA A 3 2.594 4.257 -2.780 1.00 0.34 H new ATOM 0 HA ALA A 3 4.971 3.908 -1.987 1.00 0.33 H new ATOM 0 HB1 ALA A 3 4.364 5.303 0.022 1.00 0.49 H new ATOM 0 HB2 ALA A 3 3.359 5.720 -1.385 1.00 0.49 H new ATOM 0 HB3 ALA A 3 2.706 4.669 -0.106 1.00 0.49 H new ATOM 41 N GLU A 4 4.886 1.654 -1.049 1.00 0.20 N ATOM 42 CA GLU A 4 5.467 0.364 -0.566 1.00 0.38 C ATOM 43 C GLU A 4 6.890 0.290 -1.078 1.00 0.32 C ATOM 44 O GLU A 4 7.884 0.059 -0.423 1.00 0.43 O ATOM 45 CB GLU A 4 4.698 -0.817 -1.124 1.00 0.50 C ATOM 46 CG GLU A 4 4.125 -1.837 -0.107 1.00 1.10 C ATOM 47 CD GLU A 4 3.657 -3.081 -0.907 1.00 2.83 C ATOM 48 OE1 GLU A 4 4.461 -3.548 -1.704 1.00 3.89 O ATOM 49 OE2 GLU A 4 2.537 -3.493 -0.674 1.00 3.20 O ATOM 0 H GLU A 4 4.621 1.596 -2.032 1.00 0.20 H new ATOM 0 HA GLU A 4 5.421 0.327 0.522 1.00 0.38 H new ATOM 0 HB2 GLU A 4 3.869 -0.430 -1.717 1.00 0.50 H new ATOM 0 HB3 GLU A 4 5.355 -1.355 -1.807 1.00 0.50 H new ATOM 0 HG2 GLU A 4 4.883 -2.115 0.625 1.00 1.10 H new ATOM 0 HG3 GLU A 4 3.293 -1.401 0.445 1.00 1.10 H new ATOM 56 N PHE A 5 6.830 0.532 -2.343 1.00 0.26 N ATOM 57 CA PHE A 5 7.963 0.561 -3.281 1.00 0.21 C ATOM 58 C PHE A 5 8.927 1.729 -3.070 1.00 0.22 C ATOM 59 O PHE A 5 10.123 1.589 -2.956 1.00 0.25 O ATOM 60 CB PHE A 5 7.252 0.571 -4.582 1.00 0.20 C ATOM 61 CG PHE A 5 8.228 0.916 -5.677 1.00 0.20 C ATOM 62 CD1 PHE A 5 8.491 2.228 -5.956 1.00 1.30 C ATOM 63 CD2 PHE A 5 8.862 -0.083 -6.369 1.00 1.10 C ATOM 64 CE1 PHE A 5 9.403 2.526 -6.938 1.00 1.29 C ATOM 65 CE2 PHE A 5 9.768 0.195 -7.348 1.00 1.13 C ATOM 66 CZ PHE A 5 10.042 1.513 -7.633 1.00 0.20 C ATOM 0 H PHE A 5 5.943 0.731 -2.806 1.00 0.26 H new ATOM 0 HA PHE A 5 8.653 -0.275 -3.167 1.00 0.21 H new ATOM 0 HB2 PHE A 5 6.803 -0.404 -4.772 1.00 0.20 H new ATOM 0 HB3 PHE A 5 6.439 1.297 -4.560 1.00 0.20 H new ATOM 0 HD1 PHE A 5 7.990 3.016 -5.414 1.00 1.30 H new ATOM 0 HD2 PHE A 5 8.639 -1.113 -6.133 1.00 1.10 H new ATOM 0 HE1 PHE A 5 9.624 3.557 -7.170 1.00 1.29 H new ATOM 0 HE2 PHE A 5 10.260 -0.601 -7.888 1.00 1.13 H new ATOM 0 HZ PHE A 5 10.759 1.759 -8.402 1.00 0.20 H new ATOM 76 N ASP A 6 8.331 2.872 -3.048 1.00 0.22 N ATOM 77 CA ASP A 6 9.012 4.162 -2.855 1.00 0.23 C ATOM 78 C ASP A 6 9.906 3.962 -1.609 1.00 0.25 C ATOM 79 O ASP A 6 11.111 4.143 -1.577 1.00 0.32 O ATOM 80 CB ASP A 6 7.842 5.184 -2.695 1.00 0.30 C ATOM 81 CG ASP A 6 6.638 5.085 -3.674 1.00 0.75 C ATOM 82 OD1 ASP A 6 6.235 3.996 -4.038 1.00 1.49 O ATOM 83 OD2 ASP A 6 6.126 6.126 -4.026 1.00 1.39 O ATOM 0 H ASP A 6 7.322 2.966 -3.165 1.00 0.22 H new ATOM 0 HA ASP A 6 9.662 4.523 -3.652 1.00 0.23 H new ATOM 0 HB2 ASP A 6 7.454 5.090 -1.681 1.00 0.30 H new ATOM 0 HB3 ASP A 6 8.261 6.186 -2.784 1.00 0.30 H new ATOM 88 N LYS A 7 9.191 3.551 -0.603 1.00 0.24 N ATOM 89 CA LYS A 7 9.823 3.272 0.736 1.00 0.26 C ATOM 90 C LYS A 7 11.102 2.434 0.530 1.00 0.34 C ATOM 91 O LYS A 7 12.121 2.720 1.136 1.00 0.60 O ATOM 92 CB LYS A 7 8.800 2.530 1.628 1.00 0.30 C ATOM 93 CG LYS A 7 9.382 2.159 3.039 1.00 0.42 C ATOM 94 CD LYS A 7 9.600 3.398 3.999 1.00 1.51 C ATOM 95 CE LYS A 7 11.086 3.569 4.366 1.00 2.48 C ATOM 96 NZ LYS A 7 11.722 4.451 3.347 1.00 3.18 N ATOM 0 H LYS A 7 8.184 3.392 -0.641 1.00 0.24 H new ATOM 0 HA LYS A 7 10.103 4.202 1.231 1.00 0.26 H new ATOM 0 HB2 LYS A 7 7.916 3.155 1.757 1.00 0.30 H new ATOM 0 HB3 LYS A 7 8.476 1.620 1.123 1.00 0.30 H new ATOM 0 HG2 LYS A 7 8.707 1.453 3.523 1.00 0.42 H new ATOM 0 HG3 LYS A 7 10.335 1.647 2.903 1.00 0.42 H new ATOM 0 HD2 LYS A 7 9.237 4.304 3.514 1.00 1.51 H new ATOM 0 HD3 LYS A 7 9.012 3.265 4.907 1.00 1.51 H new ATOM 0 HE2 LYS A 7 11.184 4.006 5.360 1.00 2.48 H new ATOM 0 HE3 LYS A 7 11.584 2.600 4.393 1.00 2.48 H new ATOM 0 HZ1 LYS A 7 12.688 4.689 3.649 1.00 3.18 H new ATOM 0 HZ2 LYS A 7 11.756 3.956 2.433 1.00 3.18 H new ATOM 0 HZ3 LYS A 7 11.166 5.324 3.248 1.00 3.18 H new ATOM 110 N ALA A 8 10.970 1.443 -0.321 1.00 0.15 N ATOM 111 CA ALA A 8 12.086 0.503 -0.680 1.00 0.14 C ATOM 112 C ALA A 8 13.191 1.267 -1.455 1.00 0.11 C ATOM 113 O ALA A 8 14.358 1.208 -1.112 1.00 0.12 O ATOM 114 CB ALA A 8 11.498 -0.631 -1.546 1.00 0.17 C ATOM 0 H ALA A 8 10.095 1.238 -0.803 1.00 0.15 H new ATOM 0 HA ALA A 8 12.536 0.083 0.220 1.00 0.14 H new ATOM 0 HB1 ALA A 8 12.290 -1.328 -1.820 1.00 0.17 H new ATOM 0 HB2 ALA A 8 10.730 -1.159 -0.981 1.00 0.17 H new ATOM 0 HB3 ALA A 8 11.058 -0.208 -2.449 1.00 0.17 H new ATOM 120 N ALA A 9 12.803 1.956 -2.499 1.00 0.15 N ATOM 121 CA ALA A 9 13.767 2.742 -3.316 1.00 0.22 C ATOM 122 C ALA A 9 14.649 3.567 -2.392 1.00 0.33 C ATOM 123 O ALA A 9 15.856 3.580 -2.513 1.00 0.78 O ATOM 124 CB ALA A 9 12.978 3.641 -4.218 1.00 0.13 C ATOM 0 H ALA A 9 11.837 2.005 -2.823 1.00 0.15 H new ATOM 0 HA ALA A 9 14.403 2.085 -3.909 1.00 0.22 H new ATOM 0 HB1 ALA A 9 13.660 4.231 -4.831 1.00 0.13 H new ATOM 0 HB2 ALA A 9 12.339 3.039 -4.864 1.00 0.13 H new ATOM 0 HB3 ALA A 9 12.360 4.308 -3.617 1.00 0.13 H new ATOM 130 N GLU A 10 13.969 4.197 -1.472 1.00 0.28 N ATOM 131 CA GLU A 10 14.638 5.072 -0.474 1.00 0.26 C ATOM 132 C GLU A 10 15.707 4.178 0.124 1.00 0.38 C ATOM 133 O GLU A 10 16.898 4.365 -0.030 1.00 0.57 O ATOM 134 CB GLU A 10 13.657 5.485 0.641 1.00 0.22 C ATOM 135 CG GLU A 10 12.439 6.414 0.327 1.00 0.72 C ATOM 136 CD GLU A 10 11.644 6.576 1.643 1.00 1.50 C ATOM 137 OE1 GLU A 10 12.260 6.893 2.646 1.00 1.85 O ATOM 138 OE2 GLU A 10 10.444 6.360 1.659 1.00 2.59 O ATOM 0 H GLU A 10 12.956 4.138 -1.371 1.00 0.28 H new ATOM 0 HA GLU A 10 15.022 5.988 -0.923 1.00 0.26 H new ATOM 0 HB2 GLU A 10 13.258 4.568 1.073 1.00 0.22 H new ATOM 0 HB3 GLU A 10 14.243 5.975 1.419 1.00 0.22 H new ATOM 0 HG2 GLU A 10 12.777 7.383 -0.041 1.00 0.72 H new ATOM 0 HG3 GLU A 10 11.812 5.979 -0.451 1.00 0.72 H new ATOM 145 N GLU A 11 15.167 3.200 0.783 1.00 0.33 N ATOM 146 CA GLU A 11 15.937 2.171 1.486 1.00 0.45 C ATOM 147 C GLU A 11 17.217 1.701 0.772 1.00 0.46 C ATOM 148 O GLU A 11 18.327 1.949 1.207 1.00 0.57 O ATOM 149 CB GLU A 11 14.844 1.143 1.702 1.00 0.40 C ATOM 150 CG GLU A 11 14.140 1.430 3.042 1.00 0.52 C ATOM 151 CD GLU A 11 14.243 0.302 4.055 1.00 0.79 C ATOM 152 OE1 GLU A 11 14.865 -0.719 3.810 1.00 2.25 O ATOM 153 OE2 GLU A 11 13.657 0.531 5.093 1.00 0.68 O ATOM 0 H GLU A 11 14.158 3.075 0.860 1.00 0.33 H new ATOM 0 HA GLU A 11 16.416 2.495 2.410 1.00 0.45 H new ATOM 0 HB2 GLU A 11 14.125 1.181 0.884 1.00 0.40 H new ATOM 0 HB3 GLU A 11 15.268 0.139 1.707 1.00 0.40 H new ATOM 0 HG2 GLU A 11 14.566 2.334 3.477 1.00 0.52 H new ATOM 0 HG3 GLU A 11 13.087 1.635 2.849 1.00 0.52 H new ATOM 160 N VAL A 12 17.021 1.030 -0.330 1.00 0.38 N ATOM 161 CA VAL A 12 18.131 0.507 -1.150 1.00 0.39 C ATOM 162 C VAL A 12 19.116 1.669 -1.391 1.00 0.38 C ATOM 163 O VAL A 12 20.282 1.524 -1.101 1.00 0.28 O ATOM 164 CB VAL A 12 17.448 -0.067 -2.401 1.00 0.37 C ATOM 165 CG1 VAL A 12 17.350 0.880 -3.573 1.00 0.35 C ATOM 166 CG2 VAL A 12 18.002 -1.433 -2.717 1.00 0.32 C ATOM 0 H VAL A 12 16.095 0.819 -0.703 1.00 0.38 H new ATOM 0 HA VAL A 12 18.732 -0.284 -0.703 1.00 0.39 H new ATOM 0 HB VAL A 12 16.394 -0.201 -2.159 1.00 0.37 H new ATOM 0 HG11 VAL A 12 16.853 0.380 -4.404 1.00 0.35 H new ATOM 0 HG12 VAL A 12 16.776 1.760 -3.283 1.00 0.35 H new ATOM 0 HG13 VAL A 12 18.351 1.185 -3.879 1.00 0.35 H new ATOM 0 HG21 VAL A 12 17.510 -1.829 -3.605 1.00 0.32 H new ATOM 0 HG22 VAL A 12 19.074 -1.358 -2.899 1.00 0.32 H new ATOM 0 HG23 VAL A 12 17.823 -2.102 -1.875 1.00 0.32 H new ATOM 176 N LYS A 13 18.685 2.808 -1.896 1.00 0.58 N ATOM 177 CA LYS A 13 19.631 3.950 -2.121 1.00 0.60 C ATOM 178 C LYS A 13 20.438 4.320 -0.873 1.00 0.66 C ATOM 179 O LYS A 13 21.431 5.008 -0.967 1.00 0.75 O ATOM 180 CB LYS A 13 18.865 5.197 -2.543 1.00 0.59 C ATOM 181 CG LYS A 13 19.373 5.623 -3.912 1.00 0.91 C ATOM 182 CD LYS A 13 18.754 7.024 -4.276 1.00 0.68 C ATOM 183 CE LYS A 13 19.771 8.079 -4.898 1.00 1.31 C ATOM 184 NZ LYS A 13 20.437 7.613 -6.167 1.00 1.87 N ATOM 0 H LYS A 13 17.718 2.993 -2.161 1.00 0.58 H new ATOM 0 HA LYS A 13 20.317 3.612 -2.898 1.00 0.60 H new ATOM 0 HB2 LYS A 13 17.795 4.992 -2.581 1.00 0.59 H new ATOM 0 HB3 LYS A 13 19.011 5.997 -1.817 1.00 0.59 H new ATOM 0 HG2 LYS A 13 20.461 5.682 -3.908 1.00 0.91 H new ATOM 0 HG3 LYS A 13 19.097 4.883 -4.663 1.00 0.91 H new ATOM 0 HD2 LYS A 13 17.939 6.870 -4.983 1.00 0.68 H new ATOM 0 HD3 LYS A 13 18.317 7.454 -3.375 1.00 0.68 H new ATOM 0 HE2 LYS A 13 19.237 9.008 -5.100 1.00 1.31 H new ATOM 0 HE3 LYS A 13 20.539 8.307 -4.159 1.00 1.31 H new ATOM 0 HZ1 LYS A 13 21.444 7.872 -6.146 1.00 1.87 H new ATOM 0 HZ2 LYS A 13 20.347 6.580 -6.247 1.00 1.87 H new ATOM 0 HZ3 LYS A 13 19.980 8.065 -6.985 1.00 1.87 H new ATOM 198 N HIS A 14 19.979 3.860 0.250 1.00 0.64 N ATOM 199 CA HIS A 14 20.685 4.169 1.536 1.00 0.73 C ATOM 200 C HIS A 14 21.406 2.978 2.168 1.00 0.57 C ATOM 201 O HIS A 14 21.948 3.120 3.245 1.00 0.74 O ATOM 202 CB HIS A 14 19.665 4.704 2.577 1.00 0.91 C ATOM 203 CG HIS A 14 18.931 5.950 2.104 1.00 1.04 C ATOM 204 ND1 HIS A 14 17.724 5.933 1.660 1.00 0.85 N ATOM 205 CD2 HIS A 14 19.309 7.276 2.035 1.00 1.40 C ATOM 206 CE1 HIS A 14 17.360 7.139 1.337 1.00 1.11 C ATOM 207 NE2 HIS A 14 18.319 8.003 1.555 1.00 1.44 N ATOM 0 H HIS A 14 19.144 3.281 0.343 1.00 0.64 H new ATOM 0 HA HIS A 14 21.442 4.908 1.275 1.00 0.73 H new ATOM 0 HB2 HIS A 14 18.938 3.923 2.799 1.00 0.91 H new ATOM 0 HB3 HIS A 14 20.187 4.928 3.507 1.00 0.91 H new ATOM 0 HD1 HIS A 14 17.141 5.100 1.574 1.00 0.85 H new ATOM 0 HD2 HIS A 14 20.274 7.661 2.331 1.00 1.40 H new ATOM 0 HE1 HIS A 14 16.389 7.395 0.939 1.00 1.11 H new ATOM 215 N LEU A 15 21.440 1.822 1.560 1.00 0.30 N ATOM 216 CA LEU A 15 22.137 0.683 2.195 1.00 0.40 C ATOM 217 C LEU A 15 23.523 0.998 2.722 1.00 0.56 C ATOM 218 O LEU A 15 24.341 1.602 2.053 1.00 0.94 O ATOM 219 CB LEU A 15 22.215 -0.385 1.175 1.00 0.47 C ATOM 220 CG LEU A 15 20.840 -0.846 0.796 1.00 0.35 C ATOM 221 CD1 LEU A 15 21.000 -1.688 -0.427 1.00 0.50 C ATOM 222 CD2 LEU A 15 20.249 -1.698 1.926 1.00 0.48 C ATOM 0 H LEU A 15 21.015 1.624 0.654 1.00 0.30 H new ATOM 0 HA LEU A 15 21.570 0.390 3.078 1.00 0.40 H new ATOM 0 HB2 LEU A 15 22.738 -0.017 0.293 1.00 0.47 H new ATOM 0 HB3 LEU A 15 22.793 -1.224 1.561 1.00 0.47 H new ATOM 0 HG LEU A 15 20.175 -0.001 0.618 1.00 0.35 H new ATOM 0 HD11 LEU A 15 20.024 -2.052 -0.748 1.00 0.50 H new ATOM 0 HD12 LEU A 15 21.445 -1.092 -1.224 1.00 0.50 H new ATOM 0 HD13 LEU A 15 21.648 -2.536 -0.203 1.00 0.50 H new ATOM 0 HD21 LEU A 15 19.250 -2.031 1.646 1.00 0.48 H new ATOM 0 HD22 LEU A 15 20.886 -2.566 2.098 1.00 0.48 H new ATOM 0 HD23 LEU A 15 20.191 -1.104 2.838 1.00 0.48 H new ATOM 234 N LYS A 16 23.750 0.554 3.928 1.00 0.61 N ATOM 235 CA LYS A 16 25.074 0.793 4.560 1.00 0.88 C ATOM 236 C LYS A 16 26.199 0.273 3.652 1.00 0.84 C ATOM 237 O LYS A 16 27.339 0.646 3.804 1.00 1.10 O ATOM 238 CB LYS A 16 25.046 0.092 5.956 1.00 1.03 C ATOM 239 CG LYS A 16 24.367 0.987 7.051 1.00 1.45 C ATOM 240 CD LYS A 16 22.971 1.524 6.576 1.00 2.35 C ATOM 241 CE LYS A 16 22.112 2.033 7.746 1.00 3.32 C ATOM 242 NZ LYS A 16 21.755 0.859 8.605 1.00 3.29 N ATOM 0 H LYS A 16 23.079 0.039 4.498 1.00 0.61 H new ATOM 0 HA LYS A 16 25.272 1.856 4.698 1.00 0.88 H new ATOM 0 HB2 LYS A 16 24.509 -0.853 5.876 1.00 1.03 H new ATOM 0 HB3 LYS A 16 26.065 -0.145 6.263 1.00 1.03 H new ATOM 0 HG2 LYS A 16 24.243 0.410 7.967 1.00 1.45 H new ATOM 0 HG3 LYS A 16 25.019 1.828 7.290 1.00 1.45 H new ATOM 0 HD2 LYS A 16 23.120 2.332 5.859 1.00 2.35 H new ATOM 0 HD3 LYS A 16 22.437 0.730 6.055 1.00 2.35 H new ATOM 0 HE2 LYS A 16 22.660 2.776 8.325 1.00 3.32 H new ATOM 0 HE3 LYS A 16 21.211 2.520 7.373 1.00 3.32 H new ATOM 0 HZ1 LYS A 16 20.720 0.779 8.671 1.00 3.29 H new ATOM 0 HZ2 LYS A 16 22.143 -0.009 8.185 1.00 3.29 H new ATOM 0 HZ3 LYS A 16 22.153 0.991 9.557 1.00 3.29 H new ATOM 256 N THR A 17 25.861 -0.592 2.736 1.00 0.53 N ATOM 257 CA THR A 17 26.888 -1.150 1.807 1.00 0.45 C ATOM 258 C THR A 17 26.618 -1.547 0.337 1.00 0.38 C ATOM 259 O THR A 17 26.056 -2.601 0.128 1.00 0.29 O ATOM 260 CB THR A 17 27.505 -2.368 2.530 1.00 0.37 C ATOM 261 OG1 THR A 17 28.424 -1.863 3.492 1.00 0.51 O ATOM 262 CG2 THR A 17 28.373 -3.196 1.636 1.00 0.31 C ATOM 0 H THR A 17 24.913 -0.939 2.589 1.00 0.53 H new ATOM 0 HA THR A 17 27.498 -0.266 1.623 1.00 0.45 H new ATOM 0 HB THR A 17 26.677 -2.959 2.920 1.00 0.37 H new ATOM 0 HG1 THR A 17 28.229 -0.919 3.666 1.00 0.51 H new ATOM 0 HG21 THR A 17 28.778 -4.037 2.199 1.00 0.31 H new ATOM 0 HG22 THR A 17 27.782 -3.570 0.800 1.00 0.31 H new ATOM 0 HG23 THR A 17 29.192 -2.585 1.257 1.00 0.31 H new ATOM 270 N LYS A 18 26.975 -0.724 -0.629 1.00 0.44 N ATOM 271 CA LYS A 18 26.815 -1.006 -2.101 1.00 0.43 C ATOM 272 C LYS A 18 26.675 -2.526 -2.324 1.00 0.38 C ATOM 273 O LYS A 18 27.670 -3.232 -2.378 1.00 0.42 O ATOM 274 CB LYS A 18 28.048 -0.522 -2.807 1.00 0.46 C ATOM 275 CG LYS A 18 27.932 -0.797 -4.346 1.00 0.98 C ATOM 276 CD LYS A 18 29.367 -0.993 -4.900 1.00 0.65 C ATOM 277 CE LYS A 18 29.782 -2.427 -4.579 1.00 0.93 C ATOM 278 NZ LYS A 18 29.035 -3.303 -5.519 1.00 1.98 N ATOM 0 H LYS A 18 27.396 0.186 -0.442 1.00 0.44 H new ATOM 0 HA LYS A 18 25.928 -0.502 -2.484 1.00 0.43 H new ATOM 0 HB2 LYS A 18 28.183 0.545 -2.630 1.00 0.46 H new ATOM 0 HB3 LYS A 18 28.927 -1.025 -2.405 1.00 0.46 H new ATOM 0 HG2 LYS A 18 27.326 -1.684 -4.531 1.00 0.98 H new ATOM 0 HG3 LYS A 18 27.439 0.036 -4.847 1.00 0.98 H new ATOM 0 HD2 LYS A 18 29.392 -0.817 -5.975 1.00 0.65 H new ATOM 0 HD3 LYS A 18 30.056 -0.282 -4.444 1.00 0.65 H new ATOM 0 HE2 LYS A 18 30.858 -2.556 -4.700 1.00 0.93 H new ATOM 0 HE3 LYS A 18 29.546 -2.677 -3.545 1.00 0.93 H new ATOM 0 HZ1 LYS A 18 29.675 -4.028 -5.901 1.00 1.98 H new ATOM 0 HZ2 LYS A 18 28.251 -3.764 -5.015 1.00 1.98 H new ATOM 0 HZ3 LYS A 18 28.655 -2.730 -6.300 1.00 1.98 H new ATOM 292 N PRO A 19 25.460 -2.983 -2.437 1.00 0.31 N ATOM 293 CA PRO A 19 25.199 -4.428 -2.643 1.00 0.27 C ATOM 294 C PRO A 19 25.991 -5.129 -3.752 1.00 0.34 C ATOM 295 O PRO A 19 26.768 -4.525 -4.470 1.00 0.53 O ATOM 296 CB PRO A 19 23.688 -4.437 -2.815 1.00 0.25 C ATOM 297 CG PRO A 19 23.271 -3.230 -1.929 1.00 0.22 C ATOM 298 CD PRO A 19 24.220 -2.165 -2.359 1.00 0.28 C ATOM 0 HA PRO A 19 25.557 -5.036 -1.812 1.00 0.27 H new ATOM 0 HB2 PRO A 19 23.392 -4.304 -3.856 1.00 0.25 H new ATOM 0 HB3 PRO A 19 23.241 -5.371 -2.474 1.00 0.25 H new ATOM 0 HG2 PRO A 19 22.234 -2.941 -2.100 1.00 0.22 H new ATOM 0 HG3 PRO A 19 23.368 -3.455 -0.867 1.00 0.22 H new ATOM 0 HD2 PRO A 19 23.948 -1.719 -3.316 1.00 0.28 H new ATOM 0 HD3 PRO A 19 24.296 -1.351 -1.638 1.00 0.28 H new ATOM 306 N ALA A 20 25.802 -6.413 -3.884 1.00 0.26 N ATOM 307 CA ALA A 20 26.580 -7.095 -4.975 1.00 0.34 C ATOM 308 C ALA A 20 26.131 -6.441 -6.292 1.00 0.46 C ATOM 309 O ALA A 20 24.941 -6.331 -6.507 1.00 0.47 O ATOM 310 CB ALA A 20 26.248 -8.579 -4.967 1.00 0.27 C ATOM 0 H ALA A 20 25.182 -6.998 -3.324 1.00 0.26 H new ATOM 0 HA ALA A 20 27.657 -6.993 -4.843 1.00 0.34 H new ATOM 0 HB1 ALA A 20 26.808 -9.081 -5.756 1.00 0.27 H new ATOM 0 HB2 ALA A 20 26.517 -9.007 -4.001 1.00 0.27 H new ATOM 0 HB3 ALA A 20 25.180 -8.714 -5.138 1.00 0.27 H new ATOM 316 N ASP A 21 27.022 -6.016 -7.147 1.00 0.51 N ATOM 317 CA ASP A 21 26.542 -5.379 -8.418 1.00 0.56 C ATOM 318 C ASP A 21 25.501 -6.295 -9.111 1.00 0.57 C ATOM 319 O ASP A 21 24.693 -5.812 -9.874 1.00 0.63 O ATOM 320 CB ASP A 21 27.841 -5.083 -9.202 1.00 0.78 C ATOM 321 CG ASP A 21 28.677 -4.265 -8.241 1.00 0.84 C ATOM 322 OD1 ASP A 21 28.364 -3.102 -8.073 1.00 1.36 O ATOM 323 OD2 ASP A 21 29.588 -4.835 -7.677 1.00 1.14 O ATOM 0 H ASP A 21 28.034 -6.077 -7.032 1.00 0.51 H new ATOM 0 HA ASP A 21 25.989 -4.447 -8.297 1.00 0.56 H new ATOM 0 HB2 ASP A 21 28.351 -6.003 -9.490 1.00 0.78 H new ATOM 0 HB3 ASP A 21 27.635 -4.532 -10.120 1.00 0.78 H new ATOM 328 N GLU A 22 25.551 -7.574 -8.804 1.00 0.69 N ATOM 329 CA GLU A 22 24.612 -8.576 -9.360 1.00 0.80 C ATOM 330 C GLU A 22 23.284 -8.374 -8.566 1.00 0.79 C ATOM 331 O GLU A 22 22.248 -8.144 -9.159 1.00 0.80 O ATOM 332 CB GLU A 22 25.173 -10.018 -9.142 1.00 1.00 C ATOM 333 CG GLU A 22 26.464 -10.243 -9.998 1.00 1.11 C ATOM 334 CD GLU A 22 26.950 -11.717 -9.933 1.00 1.12 C ATOM 335 OE1 GLU A 22 26.220 -12.542 -10.460 1.00 0.57 O ATOM 336 OE2 GLU A 22 28.010 -11.952 -9.369 1.00 2.10 O ATOM 0 H GLU A 22 26.239 -7.968 -8.162 1.00 0.69 H new ATOM 0 HA GLU A 22 24.463 -8.453 -10.433 1.00 0.80 H new ATOM 0 HB2 GLU A 22 25.399 -10.170 -8.087 1.00 1.00 H new ATOM 0 HB3 GLU A 22 24.416 -10.753 -9.415 1.00 1.00 H new ATOM 0 HG2 GLU A 22 26.265 -9.971 -11.035 1.00 1.11 H new ATOM 0 HG3 GLU A 22 27.255 -9.583 -9.642 1.00 1.11 H new ATOM 343 N GLU A 23 23.243 -8.448 -7.255 1.00 0.75 N ATOM 344 CA GLU A 23 21.898 -8.214 -6.623 1.00 0.64 C ATOM 345 C GLU A 23 21.458 -6.775 -6.932 1.00 0.61 C ATOM 346 O GLU A 23 20.268 -6.497 -6.924 1.00 0.68 O ATOM 347 CB GLU A 23 22.026 -8.504 -5.106 1.00 0.67 C ATOM 348 CG GLU A 23 21.898 -10.059 -4.958 1.00 0.71 C ATOM 349 CD GLU A 23 20.452 -10.561 -5.210 1.00 2.32 C ATOM 350 OE1 GLU A 23 20.073 -10.722 -6.356 1.00 3.74 O ATOM 351 OE2 GLU A 23 19.735 -10.778 -4.242 1.00 2.52 O ATOM 0 H GLU A 23 24.023 -8.646 -6.628 1.00 0.75 H new ATOM 0 HA GLU A 23 21.129 -8.876 -7.021 1.00 0.64 H new ATOM 0 HB2 GLU A 23 22.982 -8.152 -4.720 1.00 0.67 H new ATOM 0 HB3 GLU A 23 21.246 -7.992 -4.542 1.00 0.67 H new ATOM 0 HG2 GLU A 23 22.576 -10.545 -5.660 1.00 0.71 H new ATOM 0 HG3 GLU A 23 22.212 -10.353 -3.956 1.00 0.71 H new ATOM 358 N MET A 24 22.387 -5.885 -7.218 1.00 0.47 N ATOM 359 CA MET A 24 21.999 -4.511 -7.539 1.00 0.44 C ATOM 360 C MET A 24 21.326 -4.831 -8.898 1.00 0.65 C ATOM 361 O MET A 24 20.132 -4.647 -8.968 1.00 1.05 O ATOM 362 CB MET A 24 23.313 -3.659 -7.611 1.00 0.24 C ATOM 363 CG MET A 24 23.850 -3.297 -6.193 1.00 0.26 C ATOM 364 SD MET A 24 25.319 -2.244 -5.981 1.00 0.44 S ATOM 365 CE MET A 24 24.875 -0.752 -6.907 1.00 0.53 C ATOM 0 H MET A 24 23.390 -6.072 -7.237 1.00 0.47 H new ATOM 0 HA MET A 24 21.361 -3.937 -6.868 1.00 0.44 H new ATOM 0 HB2 MET A 24 24.076 -4.214 -8.157 1.00 0.24 H new ATOM 0 HB3 MET A 24 23.122 -2.744 -8.171 1.00 0.24 H new ATOM 0 HG2 MET A 24 23.033 -2.815 -5.657 1.00 0.26 H new ATOM 0 HG3 MET A 24 24.056 -4.237 -5.681 1.00 0.26 H new ATOM 0 HE1 MET A 24 25.699 -0.472 -7.563 1.00 0.53 H new ATOM 0 HE2 MET A 24 23.985 -0.946 -7.505 1.00 0.53 H new ATOM 0 HE3 MET A 24 24.674 0.062 -6.211 1.00 0.53 H new ATOM 375 N LEU A 25 22.039 -5.291 -9.915 1.00 0.48 N ATOM 376 CA LEU A 25 21.485 -5.638 -11.261 1.00 0.54 C ATOM 377 C LEU A 25 19.954 -5.817 -11.226 1.00 0.52 C ATOM 378 O LEU A 25 19.243 -5.120 -11.926 1.00 0.62 O ATOM 379 CB LEU A 25 22.321 -6.870 -11.685 1.00 0.61 C ATOM 380 CG LEU A 25 23.399 -6.399 -12.647 1.00 0.48 C ATOM 381 CD1 LEU A 25 24.645 -7.210 -12.706 1.00 0.54 C ATOM 382 CD2 LEU A 25 22.811 -6.336 -14.054 1.00 0.58 C ATOM 0 H LEU A 25 23.045 -5.445 -9.849 1.00 0.48 H new ATOM 0 HA LEU A 25 21.581 -4.852 -12.010 1.00 0.54 H new ATOM 0 HB2 LEU A 25 22.770 -7.344 -10.812 1.00 0.61 H new ATOM 0 HB3 LEU A 25 21.685 -7.616 -12.161 1.00 0.61 H new ATOM 0 HG LEU A 25 23.706 -5.429 -12.255 1.00 0.48 H new ATOM 0 HD11 LEU A 25 25.332 -6.769 -13.428 1.00 0.54 H new ATOM 0 HD12 LEU A 25 25.115 -7.228 -11.722 1.00 0.54 H new ATOM 0 HD13 LEU A 25 24.402 -8.228 -13.010 1.00 0.54 H new ATOM 0 HD21 LEU A 25 23.576 -5.999 -14.753 1.00 0.58 H new ATOM 0 HD22 LEU A 25 22.462 -7.326 -14.347 1.00 0.58 H new ATOM 0 HD23 LEU A 25 21.974 -5.638 -14.068 1.00 0.58 H new ATOM 394 N PHE A 26 19.503 -6.718 -10.399 1.00 0.40 N ATOM 395 CA PHE A 26 18.018 -6.951 -10.286 1.00 0.32 C ATOM 396 C PHE A 26 17.238 -5.668 -9.891 1.00 0.26 C ATOM 397 O PHE A 26 16.289 -5.253 -10.540 1.00 0.33 O ATOM 398 CB PHE A 26 17.736 -8.030 -9.216 1.00 0.26 C ATOM 399 CG PHE A 26 16.192 -8.175 -9.082 1.00 0.15 C ATOM 400 CD1 PHE A 26 15.386 -7.219 -8.449 1.00 1.07 C ATOM 401 CD2 PHE A 26 15.584 -9.286 -9.636 1.00 1.10 C ATOM 402 CE1 PHE A 26 14.016 -7.398 -8.391 1.00 1.11 C ATOM 403 CE2 PHE A 26 14.215 -9.452 -9.572 1.00 1.03 C ATOM 404 CZ PHE A 26 13.438 -8.506 -8.950 1.00 0.07 C ATOM 0 H PHE A 26 20.084 -7.303 -9.798 1.00 0.40 H new ATOM 0 HA PHE A 26 17.679 -7.271 -11.271 1.00 0.32 H new ATOM 0 HB2 PHE A 26 18.185 -8.980 -9.504 1.00 0.26 H new ATOM 0 HB3 PHE A 26 18.177 -7.745 -8.261 1.00 0.26 H new ATOM 0 HD1 PHE A 26 15.835 -6.342 -8.006 1.00 1.07 H new ATOM 0 HD2 PHE A 26 16.189 -10.035 -10.126 1.00 1.10 H new ATOM 0 HE1 PHE A 26 13.398 -6.659 -7.902 1.00 1.11 H new ATOM 0 HE2 PHE A 26 13.755 -10.325 -10.011 1.00 1.03 H new ATOM 0 HZ PHE A 26 12.367 -8.637 -8.902 1.00 0.07 H new ATOM 414 N ILE A 27 17.663 -5.084 -8.804 1.00 0.15 N ATOM 415 CA ILE A 27 17.029 -3.843 -8.274 1.00 0.17 C ATOM 416 C ILE A 27 16.793 -2.755 -9.359 1.00 0.21 C ATOM 417 O ILE A 27 15.648 -2.411 -9.576 1.00 0.27 O ATOM 418 CB ILE A 27 17.959 -3.445 -7.125 1.00 0.16 C ATOM 419 CG1 ILE A 27 17.771 -4.508 -5.972 1.00 0.15 C ATOM 420 CG2 ILE A 27 17.572 -2.073 -6.642 1.00 0.31 C ATOM 421 CD1 ILE A 27 16.537 -4.226 -5.136 1.00 0.36 C ATOM 0 H ILE A 27 18.445 -5.426 -8.246 1.00 0.15 H new ATOM 0 HA ILE A 27 16.008 -3.991 -7.923 1.00 0.17 H new ATOM 0 HB ILE A 27 19.001 -3.422 -7.443 1.00 0.16 H new ATOM 0 HG12 ILE A 27 17.695 -5.505 -6.407 1.00 0.15 H new ATOM 0 HG13 ILE A 27 18.652 -4.507 -5.330 1.00 0.15 H new ATOM 0 HG21 ILE A 27 18.227 -1.777 -5.823 1.00 0.31 H new ATOM 0 HG22 ILE A 27 17.668 -1.359 -7.460 1.00 0.31 H new ATOM 0 HG23 ILE A 27 16.539 -2.088 -6.293 1.00 0.31 H new ATOM 0 HD11 ILE A 27 16.446 -4.981 -4.355 1.00 0.36 H new ATOM 0 HD12 ILE A 27 16.624 -3.240 -4.679 1.00 0.36 H new ATOM 0 HD13 ILE A 27 15.652 -4.254 -5.772 1.00 0.36 H new ATOM 433 N TYR A 28 17.808 -2.210 -9.996 1.00 0.25 N ATOM 434 CA TYR A 28 17.509 -1.153 -11.078 1.00 0.39 C ATOM 435 C TYR A 28 16.436 -1.633 -12.047 1.00 0.37 C ATOM 436 O TYR A 28 15.505 -0.888 -12.255 1.00 0.44 O ATOM 437 CB TYR A 28 18.728 -0.858 -11.920 1.00 0.55 C ATOM 438 CG TYR A 28 18.798 0.172 -12.998 1.00 0.46 C ATOM 439 CD1 TYR A 28 19.195 1.427 -12.666 1.00 0.40 C ATOM 440 CD2 TYR A 28 18.517 -0.141 -14.302 1.00 0.80 C ATOM 441 CE1 TYR A 28 19.314 2.371 -13.636 1.00 0.39 C ATOM 442 CE2 TYR A 28 18.643 0.822 -15.278 1.00 0.76 C ATOM 443 CZ TYR A 28 19.042 2.092 -14.946 1.00 0.35 C ATOM 444 OH TYR A 28 19.152 3.088 -15.888 1.00 0.36 O ATOM 0 H TYR A 28 18.793 -2.424 -9.840 1.00 0.25 H new ATOM 0 HA TYR A 28 17.182 -0.265 -10.536 1.00 0.39 H new ATOM 0 HB2 TYR A 28 19.523 -0.610 -11.217 1.00 0.55 H new ATOM 0 HB3 TYR A 28 19.002 -1.802 -12.391 1.00 0.55 H new ATOM 0 HD1 TYR A 28 19.415 1.673 -11.638 1.00 0.40 H new ATOM 0 HD2 TYR A 28 18.198 -1.139 -14.563 1.00 0.80 H new ATOM 0 HE1 TYR A 28 19.632 3.367 -13.365 1.00 0.39 H new ATOM 0 HE2 TYR A 28 18.427 0.577 -16.307 1.00 0.76 H new ATOM 0 HH TYR A 28 19.544 3.886 -15.476 1.00 0.36 H new ATOM 454 N SER A 29 16.574 -2.817 -12.606 1.00 0.37 N ATOM 455 CA SER A 29 15.518 -3.291 -13.564 1.00 0.46 C ATOM 456 C SER A 29 14.118 -3.025 -13.022 1.00 0.39 C ATOM 457 O SER A 29 13.350 -2.221 -13.520 1.00 0.37 O ATOM 458 CB SER A 29 15.676 -4.828 -13.841 1.00 0.61 C ATOM 459 OG SER A 29 16.814 -5.300 -13.149 1.00 0.67 O ATOM 0 H SER A 29 17.350 -3.460 -12.447 1.00 0.37 H new ATOM 0 HA SER A 29 15.648 -2.735 -14.492 1.00 0.46 H new ATOM 0 HB2 SER A 29 14.785 -5.364 -13.513 1.00 0.61 H new ATOM 0 HB3 SER A 29 15.782 -5.010 -14.910 1.00 0.61 H new ATOM 0 HG SER A 29 16.562 -5.546 -12.234 1.00 0.67 H new ATOM 465 N HIS A 30 13.809 -3.716 -11.972 1.00 0.39 N ATOM 466 CA HIS A 30 12.482 -3.544 -11.359 1.00 0.34 C ATOM 467 C HIS A 30 12.243 -2.077 -10.896 1.00 0.29 C ATOM 468 O HIS A 30 11.246 -1.477 -11.249 1.00 0.23 O ATOM 469 CB HIS A 30 12.490 -4.574 -10.275 1.00 0.36 C ATOM 470 CG HIS A 30 12.396 -5.913 -11.000 1.00 0.31 C ATOM 471 ND1 HIS A 30 11.285 -6.444 -11.380 1.00 1.05 N ATOM 472 CD2 HIS A 30 13.369 -6.799 -11.415 1.00 0.71 C ATOM 473 CE1 HIS A 30 11.525 -7.563 -11.985 1.00 0.71 C ATOM 474 NE2 HIS A 30 12.809 -7.821 -12.029 1.00 0.45 N ATOM 0 H HIS A 30 14.420 -4.392 -11.514 1.00 0.39 H new ATOM 0 HA HIS A 30 11.641 -3.697 -12.035 1.00 0.34 H new ATOM 0 HB2 HIS A 30 13.400 -4.512 -9.678 1.00 0.36 H new ATOM 0 HB3 HIS A 30 11.651 -4.435 -9.593 1.00 0.36 H new ATOM 0 HD2 HIS A 30 14.430 -6.673 -11.260 1.00 0.71 H new ATOM 0 HE1 HIS A 30 10.762 -8.204 -12.402 1.00 0.71 H new ATOM 0 HE2 HIS A 30 13.270 -8.630 -12.445 1.00 0.45 H new ATOM 482 N TYR A 31 13.140 -1.520 -10.131 1.00 0.32 N ATOM 483 CA TYR A 31 13.014 -0.115 -9.640 1.00 0.30 C ATOM 484 C TYR A 31 12.556 0.835 -10.781 1.00 0.35 C ATOM 485 O TYR A 31 11.592 1.571 -10.738 1.00 0.33 O ATOM 486 CB TYR A 31 14.385 0.332 -9.132 1.00 0.25 C ATOM 487 CG TYR A 31 14.251 1.772 -8.678 1.00 0.26 C ATOM 488 CD1 TYR A 31 13.320 2.202 -7.748 1.00 1.25 C ATOM 489 CD2 TYR A 31 15.063 2.674 -9.294 1.00 0.94 C ATOM 490 CE1 TYR A 31 13.213 3.546 -7.469 1.00 1.29 C ATOM 491 CE2 TYR A 31 14.951 4.008 -9.015 1.00 0.90 C ATOM 492 CZ TYR A 31 14.026 4.444 -8.105 1.00 0.33 C ATOM 493 OH TYR A 31 13.903 5.783 -7.846 1.00 0.40 O ATOM 0 H TYR A 31 13.985 -1.996 -9.814 1.00 0.32 H new ATOM 0 HA TYR A 31 12.268 -0.075 -8.846 1.00 0.30 H new ATOM 0 HB2 TYR A 31 14.715 -0.301 -8.308 1.00 0.25 H new ATOM 0 HB3 TYR A 31 15.133 0.246 -9.920 1.00 0.25 H new ATOM 0 HD1 TYR A 31 12.683 1.489 -7.246 1.00 1.25 H new ATOM 0 HD2 TYR A 31 15.800 2.334 -10.007 1.00 0.94 H new ATOM 0 HE1 TYR A 31 12.487 3.892 -6.748 1.00 1.29 H new ATOM 0 HE2 TYR A 31 15.593 4.719 -9.513 1.00 0.90 H new ATOM 0 HH TYR A 31 14.556 6.281 -8.380 1.00 0.40 H new ATOM 503 N LYS A 32 13.325 0.759 -11.819 1.00 0.44 N ATOM 504 CA LYS A 32 13.102 1.575 -13.029 1.00 0.52 C ATOM 505 C LYS A 32 11.866 1.247 -13.821 1.00 0.45 C ATOM 506 O LYS A 32 11.213 2.183 -14.236 1.00 0.40 O ATOM 507 CB LYS A 32 14.373 1.421 -13.776 1.00 0.43 C ATOM 508 CG LYS A 32 15.403 2.081 -12.784 1.00 0.71 C ATOM 509 CD LYS A 32 16.475 2.851 -13.472 1.00 0.77 C ATOM 510 CE LYS A 32 16.135 4.281 -13.640 1.00 0.48 C ATOM 511 NZ LYS A 32 17.263 4.918 -14.377 1.00 0.51 N ATOM 0 H LYS A 32 14.132 0.138 -11.879 1.00 0.44 H new ATOM 0 HA LYS A 32 12.880 2.613 -12.779 1.00 0.52 H new ATOM 0 HB2 LYS A 32 14.608 0.375 -13.975 1.00 0.43 H new ATOM 0 HB3 LYS A 32 14.347 1.931 -14.739 1.00 0.43 H new ATOM 0 HG2 LYS A 32 14.868 2.745 -12.105 1.00 0.71 H new ATOM 0 HG3 LYS A 32 15.860 1.301 -12.174 1.00 0.71 H new ATOM 0 HD2 LYS A 32 17.400 2.767 -12.902 1.00 0.77 H new ATOM 0 HD3 LYS A 32 16.663 2.409 -14.451 1.00 0.77 H new ATOM 0 HE2 LYS A 32 15.202 4.392 -14.193 1.00 0.48 H new ATOM 0 HE3 LYS A 32 15.990 4.759 -12.671 1.00 0.48 H new ATOM 0 HZ1 LYS A 32 16.922 5.771 -14.865 1.00 0.51 H new ATOM 0 HZ2 LYS A 32 18.013 5.180 -13.705 1.00 0.51 H new ATOM 0 HZ3 LYS A 32 17.643 4.248 -15.076 1.00 0.51 H new ATOM 525 N GLN A 33 11.546 0.004 -14.066 1.00 0.45 N ATOM 526 CA GLN A 33 10.291 -0.229 -14.836 1.00 0.40 C ATOM 527 C GLN A 33 9.200 0.411 -13.905 1.00 0.29 C ATOM 528 O GLN A 33 8.278 1.068 -14.342 1.00 0.34 O ATOM 529 CB GLN A 33 9.894 -1.699 -14.974 1.00 0.54 C ATOM 530 CG GLN A 33 10.714 -2.716 -14.241 1.00 2.12 C ATOM 531 CD GLN A 33 9.959 -4.055 -14.227 1.00 3.37 C ATOM 532 OE1 GLN A 33 9.574 -4.588 -15.232 1.00 3.32 O ATOM 533 NE2 GLN A 33 9.681 -4.696 -13.155 1.00 4.83 N ATOM 0 H GLN A 33 12.070 -0.824 -13.782 1.00 0.45 H new ATOM 0 HA GLN A 33 10.402 0.165 -15.846 1.00 0.40 H new ATOM 0 HB2 GLN A 33 8.861 -1.799 -14.642 1.00 0.54 H new ATOM 0 HB3 GLN A 33 9.914 -1.953 -16.034 1.00 0.54 H new ATOM 0 HG2 GLN A 33 11.684 -2.836 -14.724 1.00 2.12 H new ATOM 0 HG3 GLN A 33 10.905 -2.381 -13.221 1.00 2.12 H new ATOM 0 HE21 GLN A 33 9.967 -4.323 -12.249 1.00 4.83 H new ATOM 0 HE22 GLN A 33 9.174 -5.580 -13.206 1.00 4.83 H new ATOM 542 N ALA A 34 9.342 0.180 -12.610 1.00 0.18 N ATOM 543 CA ALA A 34 8.362 0.734 -11.614 1.00 0.09 C ATOM 544 C ALA A 34 8.201 2.240 -11.620 1.00 0.08 C ATOM 545 O ALA A 34 7.105 2.755 -11.683 1.00 0.07 O ATOM 546 CB ALA A 34 8.759 0.306 -10.187 1.00 0.12 C ATOM 0 H ALA A 34 10.098 -0.371 -12.204 1.00 0.18 H new ATOM 0 HA ALA A 34 7.403 0.318 -11.923 1.00 0.09 H new ATOM 0 HB1 ALA A 34 8.043 0.712 -9.473 1.00 0.12 H new ATOM 0 HB2 ALA A 34 8.760 -0.782 -10.121 1.00 0.12 H new ATOM 0 HB3 ALA A 34 9.755 0.685 -9.957 1.00 0.12 H new ATOM 552 N THR A 35 9.307 2.905 -11.550 1.00 0.10 N ATOM 553 CA THR A 35 9.338 4.409 -11.546 1.00 0.10 C ATOM 554 C THR A 35 9.204 4.954 -12.958 1.00 0.18 C ATOM 555 O THR A 35 8.348 5.779 -13.220 1.00 0.19 O ATOM 556 CB THR A 35 10.667 4.887 -10.947 1.00 0.10 C ATOM 557 OG1 THR A 35 11.631 4.124 -11.647 1.00 0.23 O ATOM 558 CG2 THR A 35 10.824 4.395 -9.545 1.00 0.08 C ATOM 0 H THR A 35 10.227 2.468 -11.493 1.00 0.10 H new ATOM 0 HA THR A 35 8.502 4.773 -10.948 1.00 0.10 H new ATOM 0 HB THR A 35 10.740 5.973 -10.996 1.00 0.10 H new ATOM 0 HG1 THR A 35 11.721 3.244 -11.225 1.00 0.23 H new ATOM 0 HG21 THR A 35 11.773 4.746 -9.140 1.00 0.08 H new ATOM 0 HG22 THR A 35 10.006 4.774 -8.933 1.00 0.08 H new ATOM 0 HG23 THR A 35 10.807 3.305 -9.538 1.00 0.08 H new ATOM 566 N VAL A 36 10.031 4.462 -13.834 1.00 0.27 N ATOM 567 CA VAL A 36 10.017 4.911 -15.251 1.00 0.38 C ATOM 568 C VAL A 36 8.990 4.172 -16.125 1.00 0.42 C ATOM 569 O VAL A 36 7.932 4.686 -16.438 1.00 0.53 O ATOM 570 CB VAL A 36 11.481 4.719 -15.865 1.00 0.33 C ATOM 571 CG1 VAL A 36 11.585 5.515 -17.179 1.00 0.31 C ATOM 572 CG2 VAL A 36 12.590 5.136 -14.930 1.00 0.33 C ATOM 0 H VAL A 36 10.732 3.752 -13.622 1.00 0.27 H new ATOM 0 HA VAL A 36 9.718 5.959 -15.252 1.00 0.38 H new ATOM 0 HB VAL A 36 11.613 3.651 -16.040 1.00 0.33 H new ATOM 0 HG11 VAL A 36 12.581 5.388 -17.603 1.00 0.31 H new ATOM 0 HG12 VAL A 36 10.840 5.149 -17.886 1.00 0.31 H new ATOM 0 HG13 VAL A 36 11.407 6.572 -16.979 1.00 0.31 H new ATOM 0 HG21 VAL A 36 13.553 4.977 -15.415 1.00 0.33 H new ATOM 0 HG22 VAL A 36 12.478 6.191 -14.681 1.00 0.33 H new ATOM 0 HG23 VAL A 36 12.540 4.541 -14.018 1.00 0.33 H new ATOM 582 N GLY A 37 9.368 2.971 -16.436 1.00 0.36 N ATOM 583 CA GLY A 37 8.597 2.010 -17.301 1.00 0.37 C ATOM 584 C GLY A 37 9.572 1.715 -18.459 1.00 0.27 C ATOM 585 O GLY A 37 10.391 0.832 -18.305 1.00 0.31 O ATOM 0 H GLY A 37 10.249 2.579 -16.103 1.00 0.36 H new ATOM 0 HA2 GLY A 37 8.332 1.103 -16.757 1.00 0.37 H new ATOM 0 HA3 GLY A 37 7.667 2.450 -17.660 1.00 0.37 H new ATOM 589 N ASP A 38 9.496 2.456 -19.539 1.00 0.18 N ATOM 590 CA ASP A 38 10.410 2.234 -20.706 1.00 0.16 C ATOM 591 C ASP A 38 11.799 2.914 -20.560 1.00 0.12 C ATOM 592 O ASP A 38 11.984 3.910 -19.880 1.00 0.20 O ATOM 593 CB ASP A 38 9.700 2.771 -21.975 1.00 0.22 C ATOM 594 CG ASP A 38 8.538 1.882 -22.375 1.00 0.28 C ATOM 595 OD1 ASP A 38 7.558 1.848 -21.653 1.00 1.09 O ATOM 596 OD2 ASP A 38 8.726 1.280 -23.418 1.00 1.14 O ATOM 0 H ASP A 38 8.829 3.217 -19.663 1.00 0.18 H new ATOM 0 HA ASP A 38 10.609 1.164 -20.768 1.00 0.16 H new ATOM 0 HB2 ASP A 38 9.340 3.783 -21.792 1.00 0.22 H new ATOM 0 HB3 ASP A 38 10.414 2.831 -22.796 1.00 0.22 H new ATOM 601 N ILE A 39 12.739 2.341 -21.257 1.00 0.21 N ATOM 602 CA ILE A 39 14.130 2.865 -21.221 1.00 0.17 C ATOM 603 C ILE A 39 14.405 3.722 -22.476 1.00 0.18 C ATOM 604 O ILE A 39 14.207 3.356 -23.618 1.00 0.21 O ATOM 605 CB ILE A 39 15.012 1.605 -21.077 1.00 0.17 C ATOM 606 CG1 ILE A 39 16.508 1.966 -20.931 1.00 0.15 C ATOM 607 CG2 ILE A 39 14.781 0.667 -22.264 1.00 0.21 C ATOM 608 CD1 ILE A 39 17.272 0.721 -20.411 1.00 0.14 C ATOM 0 H ILE A 39 12.601 1.526 -21.854 1.00 0.21 H new ATOM 0 HA ILE A 39 14.337 3.546 -20.395 1.00 0.17 H new ATOM 0 HB ILE A 39 14.721 1.089 -20.162 1.00 0.17 H new ATOM 0 HG12 ILE A 39 16.915 2.285 -21.890 1.00 0.15 H new ATOM 0 HG13 ILE A 39 16.630 2.800 -20.240 1.00 0.15 H new ATOM 0 HG21 ILE A 39 15.407 -0.219 -22.155 1.00 0.21 H new ATOM 0 HG22 ILE A 39 13.733 0.370 -22.294 1.00 0.21 H new ATOM 0 HG23 ILE A 39 15.039 1.181 -23.190 1.00 0.21 H new ATOM 0 HD11 ILE A 39 18.330 0.962 -20.303 1.00 0.14 H new ATOM 0 HD12 ILE A 39 16.867 0.424 -19.444 1.00 0.14 H new ATOM 0 HD13 ILE A 39 17.157 -0.099 -21.120 1.00 0.14 H new ATOM 620 N ASN A 40 14.868 4.897 -22.160 1.00 0.17 N ATOM 621 CA ASN A 40 15.219 5.967 -23.166 1.00 0.20 C ATOM 622 C ASN A 40 16.646 6.510 -22.912 1.00 0.34 C ATOM 623 O ASN A 40 16.993 7.649 -23.159 1.00 0.46 O ATOM 624 CB ASN A 40 14.110 7.008 -22.971 1.00 0.15 C ATOM 625 CG ASN A 40 14.029 7.269 -21.462 1.00 0.31 C ATOM 626 OD1 ASN A 40 14.779 8.028 -20.897 1.00 0.53 O ATOM 627 ND2 ASN A 40 13.158 6.661 -20.726 1.00 0.47 N ATOM 0 H ASN A 40 15.030 5.184 -21.195 1.00 0.17 H new ATOM 0 HA ASN A 40 15.255 5.621 -24.199 1.00 0.20 H new ATOM 0 HB2 ASN A 40 14.338 7.926 -23.513 1.00 0.15 H new ATOM 0 HB3 ASN A 40 13.158 6.639 -23.354 1.00 0.15 H new ATOM 0 HD21 ASN A 40 13.130 6.834 -19.721 1.00 0.47 H new ATOM 0 HD22 ASN A 40 12.499 6.008 -21.150 1.00 0.47 H new ATOM 634 N THR A 41 17.430 5.603 -22.421 1.00 0.32 N ATOM 635 CA THR A 41 18.858 5.864 -22.068 1.00 0.43 C ATOM 636 C THR A 41 19.804 4.997 -22.914 1.00 0.51 C ATOM 637 O THR A 41 19.354 4.073 -23.566 1.00 0.51 O ATOM 638 CB THR A 41 18.967 5.564 -20.559 1.00 0.38 C ATOM 639 OG1 THR A 41 18.706 4.173 -20.481 1.00 0.29 O ATOM 640 CG2 THR A 41 17.722 6.030 -19.772 1.00 0.37 C ATOM 0 H THR A 41 17.131 4.645 -22.239 1.00 0.32 H new ATOM 0 HA THR A 41 19.155 6.891 -22.279 1.00 0.43 H new ATOM 0 HB THR A 41 19.901 5.991 -20.194 1.00 0.38 H new ATOM 0 HG1 THR A 41 19.550 3.688 -20.367 1.00 0.29 H new ATOM 0 HG21 THR A 41 17.850 5.795 -18.715 1.00 0.37 H new ATOM 0 HG22 THR A 41 17.598 7.106 -19.892 1.00 0.37 H new ATOM 0 HG23 THR A 41 16.838 5.518 -20.153 1.00 0.37 H new ATOM 648 N GLU A 42 21.080 5.277 -22.894 1.00 0.68 N ATOM 649 CA GLU A 42 22.053 4.471 -23.706 1.00 0.78 C ATOM 650 C GLU A 42 22.772 3.409 -22.851 1.00 0.66 C ATOM 651 O GLU A 42 22.566 3.328 -21.660 1.00 0.58 O ATOM 652 CB GLU A 42 23.066 5.477 -24.318 1.00 0.96 C ATOM 653 CG GLU A 42 24.198 5.847 -23.274 1.00 0.91 C ATOM 654 CD GLU A 42 25.222 6.886 -23.766 1.00 1.25 C ATOM 655 OE1 GLU A 42 25.121 7.339 -24.894 1.00 2.04 O ATOM 656 OE2 GLU A 42 26.063 7.152 -22.925 1.00 1.40 O ATOM 0 H GLU A 42 21.497 6.032 -22.349 1.00 0.68 H new ATOM 0 HA GLU A 42 21.529 3.920 -24.487 1.00 0.78 H new ATOM 0 HB2 GLU A 42 23.517 5.046 -25.212 1.00 0.96 H new ATOM 0 HB3 GLU A 42 22.543 6.381 -24.629 1.00 0.96 H new ATOM 0 HG2 GLU A 42 23.726 6.226 -22.368 1.00 0.91 H new ATOM 0 HG3 GLU A 42 24.730 4.936 -23.000 1.00 0.91 H new ATOM 663 N ARG A 43 23.600 2.640 -23.498 1.00 0.65 N ATOM 664 CA ARG A 43 24.392 1.550 -22.837 1.00 0.49 C ATOM 665 C ARG A 43 25.797 2.194 -22.547 1.00 0.43 C ATOM 666 O ARG A 43 26.588 2.369 -23.455 1.00 0.50 O ATOM 667 CB ARG A 43 24.361 0.400 -23.863 1.00 0.54 C ATOM 668 CG ARG A 43 24.876 -0.900 -23.223 1.00 0.50 C ATOM 669 CD ARG A 43 24.151 -2.061 -23.878 1.00 0.73 C ATOM 670 NE ARG A 43 24.552 -3.310 -23.149 1.00 0.85 N ATOM 671 CZ ARG A 43 24.889 -4.383 -23.746 1.00 1.04 C ATOM 672 NH1 ARG A 43 25.905 -4.363 -24.500 1.00 1.66 N ATOM 673 NH2 ARG A 43 24.167 -5.404 -23.537 1.00 1.64 N ATOM 0 H ARG A 43 23.771 2.722 -24.500 1.00 0.65 H new ATOM 0 HA ARG A 43 24.036 1.149 -21.888 1.00 0.49 H new ATOM 0 HB2 ARG A 43 23.344 0.256 -24.227 1.00 0.54 H new ATOM 0 HB3 ARG A 43 24.975 0.657 -24.726 1.00 0.54 H new ATOM 0 HG2 ARG A 43 25.953 -0.994 -23.364 1.00 0.50 H new ATOM 0 HG3 ARG A 43 24.694 -0.894 -22.148 1.00 0.50 H new ATOM 0 HD2 ARG A 43 23.072 -1.917 -23.828 1.00 0.73 H new ATOM 0 HD3 ARG A 43 24.414 -2.131 -24.933 1.00 0.73 H new ATOM 0 HE ARG A 43 24.555 -3.299 -22.129 1.00 0.85 H new ATOM 0 HH11 ARG A 43 26.435 -3.500 -24.619 1.00 1.66 H new ATOM 0 HH12 ARG A 43 26.194 -5.210 -24.989 1.00 1.66 H new ATOM 0 HH21 ARG A 43 23.361 -5.340 -22.916 1.00 1.64 H new ATOM 0 HH22 ARG A 43 24.392 -6.289 -23.990 1.00 1.64 H new ATOM 687 N PRO A 44 26.060 2.525 -21.286 1.00 0.45 N ATOM 688 CA PRO A 44 27.339 3.178 -20.779 1.00 0.64 C ATOM 689 C PRO A 44 28.800 2.885 -21.227 1.00 0.67 C ATOM 690 O PRO A 44 29.108 1.929 -21.911 1.00 0.52 O ATOM 691 CB PRO A 44 27.170 3.037 -19.222 1.00 0.69 C ATOM 692 CG PRO A 44 25.617 3.311 -19.141 1.00 0.76 C ATOM 693 CD PRO A 44 25.119 2.293 -20.145 1.00 0.46 C ATOM 0 HA PRO A 44 27.350 4.144 -21.284 1.00 0.64 H new ATOM 0 HB2 PRO A 44 27.447 2.050 -18.852 1.00 0.69 H new ATOM 0 HB3 PRO A 44 27.759 3.764 -18.663 1.00 0.69 H new ATOM 0 HG2 PRO A 44 25.215 3.142 -18.142 1.00 0.76 H new ATOM 0 HG3 PRO A 44 25.359 4.333 -19.420 1.00 0.76 H new ATOM 0 HD2 PRO A 44 25.180 1.274 -19.762 1.00 0.46 H new ATOM 0 HD3 PRO A 44 24.080 2.467 -20.426 1.00 0.46 H new ATOM 701 N GLY A 45 29.677 3.775 -20.798 1.00 0.96 N ATOM 702 CA GLY A 45 31.160 3.668 -21.117 1.00 1.08 C ATOM 703 C GLY A 45 32.124 3.709 -19.898 1.00 1.47 C ATOM 704 O GLY A 45 32.626 2.696 -19.453 1.00 1.46 O ATOM 0 H GLY A 45 29.429 4.586 -20.231 1.00 0.96 H new ATOM 0 HA2 GLY A 45 31.329 2.737 -21.657 1.00 1.08 H new ATOM 0 HA3 GLY A 45 31.426 4.481 -21.793 1.00 1.08 H new ATOM 708 N MET A 46 32.345 4.890 -19.388 1.00 1.96 N ATOM 709 CA MET A 46 33.259 5.127 -18.201 1.00 2.46 C ATOM 710 C MET A 46 33.433 3.979 -17.164 1.00 2.42 C ATOM 711 O MET A 46 34.538 3.566 -16.886 1.00 2.68 O ATOM 712 CB MET A 46 32.764 6.438 -17.479 1.00 2.87 C ATOM 713 CG MET A 46 31.499 6.239 -16.610 1.00 2.58 C ATOM 714 SD MET A 46 30.649 7.735 -16.052 1.00 3.45 S ATOM 715 CE MET A 46 29.499 7.845 -17.443 1.00 3.85 C ATOM 0 H MET A 46 31.918 5.742 -19.751 1.00 1.96 H new ATOM 0 HA MET A 46 34.260 5.204 -18.626 1.00 2.46 H new ATOM 0 HB2 MET A 46 33.568 6.820 -16.850 1.00 2.87 H new ATOM 0 HB3 MET A 46 32.559 7.200 -18.231 1.00 2.87 H new ATOM 0 HG2 MET A 46 30.789 5.636 -17.176 1.00 2.58 H new ATOM 0 HG3 MET A 46 31.779 5.659 -15.730 1.00 2.58 H new ATOM 0 HE1 MET A 46 28.855 8.715 -17.315 1.00 3.85 H new ATOM 0 HE2 MET A 46 30.060 7.942 -18.372 1.00 3.85 H new ATOM 0 HE3 MET A 46 28.887 6.944 -17.481 1.00 3.85 H new ATOM 725 N LEU A 47 32.342 3.505 -16.628 1.00 2.19 N ATOM 726 CA LEU A 47 32.354 2.398 -15.606 1.00 2.14 C ATOM 727 C LEU A 47 31.582 1.172 -16.135 1.00 1.53 C ATOM 728 O LEU A 47 30.950 0.477 -15.364 1.00 1.32 O ATOM 729 CB LEU A 47 31.701 2.977 -14.302 1.00 2.42 C ATOM 730 CG LEU A 47 32.744 3.433 -13.269 1.00 2.67 C ATOM 731 CD1 LEU A 47 32.136 4.569 -12.433 1.00 3.91 C ATOM 732 CD2 LEU A 47 33.024 2.232 -12.321 1.00 1.76 C ATOM 0 H LEU A 47 31.409 3.845 -16.859 1.00 2.19 H new ATOM 0 HA LEU A 47 33.369 2.059 -15.397 1.00 2.14 H new ATOM 0 HB2 LEU A 47 31.062 3.820 -14.564 1.00 2.42 H new ATOM 0 HB3 LEU A 47 31.059 2.218 -13.854 1.00 2.42 H new ATOM 0 HG LEU A 47 33.657 3.769 -13.761 1.00 2.67 H new ATOM 0 HD11 LEU A 47 32.863 4.906 -11.694 1.00 3.91 H new ATOM 0 HD12 LEU A 47 31.871 5.400 -13.087 1.00 3.91 H new ATOM 0 HD13 LEU A 47 31.242 4.208 -11.925 1.00 3.91 H new ATOM 0 HD21 LEU A 47 33.762 2.523 -11.574 1.00 1.76 H new ATOM 0 HD22 LEU A 47 32.100 1.938 -11.823 1.00 1.76 H new ATOM 0 HD23 LEU A 47 33.406 1.392 -12.901 1.00 1.76 H new ATOM 744 N ASP A 48 31.676 0.952 -17.421 1.00 1.36 N ATOM 745 CA ASP A 48 30.995 -0.181 -18.131 1.00 0.82 C ATOM 746 C ASP A 48 29.909 -0.969 -17.335 1.00 0.67 C ATOM 747 O ASP A 48 28.740 -0.628 -17.351 1.00 0.90 O ATOM 748 CB ASP A 48 32.157 -1.095 -18.602 1.00 0.91 C ATOM 749 CG ASP A 48 31.706 -2.246 -19.495 1.00 0.66 C ATOM 750 OD1 ASP A 48 30.727 -2.902 -19.193 1.00 1.35 O ATOM 751 OD2 ASP A 48 32.365 -2.434 -20.498 1.00 1.50 O ATOM 0 H ASP A 48 32.227 1.544 -18.043 1.00 1.36 H new ATOM 0 HA ASP A 48 30.390 0.224 -18.942 1.00 0.82 H new ATOM 0 HB2 ASP A 48 32.886 -0.492 -19.142 1.00 0.91 H new ATOM 0 HB3 ASP A 48 32.665 -1.502 -17.728 1.00 0.91 H new ATOM 756 N PHE A 49 30.337 -2.003 -16.676 1.00 0.41 N ATOM 757 CA PHE A 49 29.460 -2.890 -15.850 1.00 0.34 C ATOM 758 C PHE A 49 28.353 -2.155 -15.066 1.00 0.45 C ATOM 759 O PHE A 49 27.216 -2.564 -14.978 1.00 0.74 O ATOM 760 CB PHE A 49 30.398 -3.677 -14.876 1.00 0.45 C ATOM 761 CG PHE A 49 30.646 -2.821 -13.621 1.00 0.71 C ATOM 762 CD1 PHE A 49 31.650 -1.881 -13.553 1.00 1.53 C ATOM 763 CD2 PHE A 49 29.802 -2.979 -12.539 1.00 0.98 C ATOM 764 CE1 PHE A 49 31.796 -1.113 -12.419 1.00 1.95 C ATOM 765 CE2 PHE A 49 29.943 -2.215 -11.403 1.00 1.35 C ATOM 766 CZ PHE A 49 30.945 -1.278 -11.351 1.00 1.68 C ATOM 0 H PHE A 49 31.316 -2.289 -16.674 1.00 0.41 H new ATOM 0 HA PHE A 49 28.914 -3.550 -16.524 1.00 0.34 H new ATOM 0 HB2 PHE A 49 29.942 -4.628 -14.600 1.00 0.45 H new ATOM 0 HB3 PHE A 49 31.343 -3.908 -15.367 1.00 0.45 H new ATOM 0 HD1 PHE A 49 32.322 -1.746 -14.388 1.00 1.53 H new ATOM 0 HD2 PHE A 49 29.015 -3.717 -12.585 1.00 0.98 H new ATOM 0 HE1 PHE A 49 32.584 -0.376 -12.368 1.00 1.95 H new ATOM 0 HE2 PHE A 49 29.275 -2.351 -10.565 1.00 1.35 H new ATOM 0 HZ PHE A 49 31.066 -0.668 -10.468 1.00 1.68 H new ATOM 776 N LYS A 50 28.767 -1.045 -14.535 1.00 0.56 N ATOM 777 CA LYS A 50 27.926 -0.142 -13.702 1.00 0.71 C ATOM 778 C LYS A 50 26.835 0.600 -14.449 1.00 0.55 C ATOM 779 O LYS A 50 25.953 1.146 -13.826 1.00 0.93 O ATOM 780 CB LYS A 50 28.880 0.866 -13.024 1.00 0.94 C ATOM 781 CG LYS A 50 28.191 1.611 -11.833 1.00 1.03 C ATOM 782 CD LYS A 50 28.092 3.146 -12.148 1.00 1.77 C ATOM 783 CE LYS A 50 27.169 3.857 -11.127 1.00 1.94 C ATOM 784 NZ LYS A 50 27.849 3.973 -9.799 1.00 1.80 N ATOM 0 H LYS A 50 29.721 -0.704 -14.654 1.00 0.56 H new ATOM 0 HA LYS A 50 27.387 -0.765 -12.988 1.00 0.71 H new ATOM 0 HB2 LYS A 50 29.764 0.342 -12.661 1.00 0.94 H new ATOM 0 HB3 LYS A 50 29.221 1.595 -13.760 1.00 0.94 H new ATOM 0 HG2 LYS A 50 27.195 1.201 -11.663 1.00 1.03 H new ATOM 0 HG3 LYS A 50 28.761 1.455 -10.917 1.00 1.03 H new ATOM 0 HD2 LYS A 50 29.086 3.593 -12.120 1.00 1.77 H new ATOM 0 HD3 LYS A 50 27.706 3.291 -13.157 1.00 1.77 H new ATOM 0 HE2 LYS A 50 26.905 4.848 -11.495 1.00 1.94 H new ATOM 0 HE3 LYS A 50 26.239 3.299 -11.019 1.00 1.94 H new ATOM 0 HZ1 LYS A 50 27.335 3.405 -9.095 1.00 1.80 H new ATOM 0 HZ2 LYS A 50 28.826 3.625 -9.878 1.00 1.80 H new ATOM 0 HZ3 LYS A 50 27.859 4.969 -9.500 1.00 1.80 H new ATOM 798 N GLY A 51 26.918 0.621 -15.735 1.00 0.17 N ATOM 799 CA GLY A 51 25.938 1.296 -16.614 1.00 0.21 C ATOM 800 C GLY A 51 25.235 0.242 -17.476 1.00 0.20 C ATOM 801 O GLY A 51 24.018 0.259 -17.577 1.00 0.37 O ATOM 0 H GLY A 51 27.675 0.168 -16.247 1.00 0.17 H new ATOM 0 HA2 GLY A 51 25.208 1.841 -16.016 1.00 0.21 H new ATOM 0 HA3 GLY A 51 26.441 2.027 -17.248 1.00 0.21 H new ATOM 805 N LYS A 52 26.013 -0.642 -18.064 1.00 0.15 N ATOM 806 CA LYS A 52 25.371 -1.698 -18.908 1.00 0.36 C ATOM 807 C LYS A 52 24.441 -2.436 -17.957 1.00 0.24 C ATOM 808 O LYS A 52 23.269 -2.348 -18.209 1.00 0.21 O ATOM 809 CB LYS A 52 26.440 -2.669 -19.496 1.00 0.61 C ATOM 810 CG LYS A 52 27.178 -2.027 -20.699 1.00 0.63 C ATOM 811 CD LYS A 52 28.298 -1.105 -20.213 1.00 0.82 C ATOM 812 CE LYS A 52 29.241 -0.742 -21.364 1.00 1.63 C ATOM 813 NZ LYS A 52 30.126 -1.905 -21.685 1.00 0.99 N ATOM 0 H LYS A 52 27.030 -0.677 -17.999 1.00 0.15 H new ATOM 0 HA LYS A 52 24.842 -1.275 -19.762 1.00 0.36 H new ATOM 0 HB2 LYS A 52 27.161 -2.932 -18.722 1.00 0.61 H new ATOM 0 HB3 LYS A 52 25.960 -3.595 -19.813 1.00 0.61 H new ATOM 0 HG2 LYS A 52 27.593 -2.807 -21.337 1.00 0.63 H new ATOM 0 HG3 LYS A 52 26.471 -1.461 -21.306 1.00 0.63 H new ATOM 0 HD2 LYS A 52 27.869 -0.197 -19.788 1.00 0.82 H new ATOM 0 HD3 LYS A 52 28.859 -1.595 -19.418 1.00 0.82 H new ATOM 0 HE2 LYS A 52 28.663 -0.460 -22.244 1.00 1.63 H new ATOM 0 HE3 LYS A 52 29.847 0.122 -21.091 1.00 1.63 H new ATOM 0 HZ1 LYS A 52 31.116 -1.589 -21.720 1.00 0.99 H new ATOM 0 HZ2 LYS A 52 30.021 -2.634 -20.951 1.00 0.99 H new ATOM 0 HZ3 LYS A 52 29.857 -2.302 -22.608 1.00 0.99 H new ATOM 827 N ALA A 53 24.929 -3.111 -16.945 1.00 0.30 N ATOM 828 CA ALA A 53 24.066 -3.839 -15.965 1.00 0.41 C ATOM 829 C ALA A 53 22.722 -3.136 -15.841 1.00 0.45 C ATOM 830 O ALA A 53 21.707 -3.713 -16.150 1.00 0.51 O ATOM 831 CB ALA A 53 24.866 -3.875 -14.659 1.00 0.45 C ATOM 0 H ALA A 53 25.928 -3.189 -16.753 1.00 0.30 H new ATOM 0 HA ALA A 53 23.828 -4.858 -16.272 1.00 0.41 H new ATOM 0 HB1 ALA A 53 24.290 -4.396 -13.894 1.00 0.45 H new ATOM 0 HB2 ALA A 53 25.808 -4.398 -14.824 1.00 0.45 H new ATOM 0 HB3 ALA A 53 25.069 -2.856 -14.329 1.00 0.45 H new ATOM 837 N LYS A 54 22.790 -1.915 -15.392 1.00 0.48 N ATOM 838 CA LYS A 54 21.542 -1.098 -15.241 1.00 0.63 C ATOM 839 C LYS A 54 20.691 -1.178 -16.522 1.00 0.38 C ATOM 840 O LYS A 54 19.592 -1.711 -16.536 1.00 0.30 O ATOM 841 CB LYS A 54 21.848 0.444 -15.007 1.00 0.95 C ATOM 842 CG LYS A 54 23.280 0.783 -14.555 1.00 0.84 C ATOM 843 CD LYS A 54 23.433 0.595 -13.070 1.00 0.76 C ATOM 844 CE LYS A 54 23.579 1.953 -12.328 1.00 1.38 C ATOM 845 NZ LYS A 54 22.474 2.807 -12.816 1.00 1.41 N ATOM 0 H LYS A 54 23.653 -1.442 -15.122 1.00 0.48 H new ATOM 0 HA LYS A 54 21.022 -1.509 -14.376 1.00 0.63 H new ATOM 0 HB2 LYS A 54 21.644 0.980 -15.934 1.00 0.95 H new ATOM 0 HB3 LYS A 54 21.152 0.824 -14.259 1.00 0.95 H new ATOM 0 HG2 LYS A 54 23.992 0.147 -15.081 1.00 0.84 H new ATOM 0 HG3 LYS A 54 23.515 1.813 -14.821 1.00 0.84 H new ATOM 0 HD2 LYS A 54 22.567 0.059 -12.680 1.00 0.76 H new ATOM 0 HD3 LYS A 54 24.308 -0.024 -12.870 1.00 0.76 H new ATOM 0 HE2 LYS A 54 23.518 1.816 -11.248 1.00 1.38 H new ATOM 0 HE3 LYS A 54 24.546 2.410 -12.537 1.00 1.38 H new ATOM 0 HZ1 LYS A 54 22.460 3.697 -12.278 1.00 1.41 H new ATOM 0 HZ2 LYS A 54 22.615 3.015 -13.825 1.00 1.41 H new ATOM 0 HZ3 LYS A 54 21.569 2.311 -12.688 1.00 1.41 H new ATOM 859 N TRP A 55 21.286 -0.656 -17.566 1.00 0.30 N ATOM 860 CA TRP A 55 20.622 -0.618 -18.882 1.00 0.22 C ATOM 861 C TRP A 55 20.041 -1.978 -19.217 1.00 0.15 C ATOM 862 O TRP A 55 18.847 -2.150 -19.299 1.00 0.14 O ATOM 863 CB TRP A 55 21.684 -0.174 -19.885 1.00 0.32 C ATOM 864 CG TRP A 55 20.911 0.631 -20.894 1.00 0.31 C ATOM 865 CD1 TRP A 55 20.472 1.881 -20.638 1.00 0.33 C ATOM 866 CD2 TRP A 55 20.527 0.248 -22.119 1.00 0.33 C ATOM 867 NE1 TRP A 55 19.835 2.176 -21.748 1.00 0.40 N ATOM 868 CE2 TRP A 55 19.813 1.262 -22.704 1.00 0.41 C ATOM 869 CE3 TRP A 55 20.743 -0.934 -22.785 1.00 0.32 C ATOM 870 CZ2 TRP A 55 19.314 1.098 -23.973 1.00 0.51 C ATOM 871 CZ3 TRP A 55 20.244 -1.105 -24.060 1.00 0.40 C ATOM 872 CH2 TRP A 55 19.527 -0.084 -24.656 1.00 0.50 C ATOM 0 H TRP A 55 22.222 -0.250 -17.550 1.00 0.30 H new ATOM 0 HA TRP A 55 19.783 0.077 -18.898 1.00 0.22 H new ATOM 0 HB2 TRP A 55 22.461 0.423 -19.407 1.00 0.32 H new ATOM 0 HB3 TRP A 55 22.178 -1.028 -20.348 1.00 0.32 H new ATOM 0 HD1 TRP A 55 20.609 2.482 -19.751 1.00 0.33 H new ATOM 0 HE1 TRP A 55 19.374 3.078 -21.869 1.00 0.40 H new ATOM 0 HE3 TRP A 55 21.302 -1.728 -22.312 1.00 0.32 H new ATOM 0 HZ2 TRP A 55 18.753 1.895 -24.438 1.00 0.51 H new ATOM 0 HZ3 TRP A 55 20.413 -2.031 -24.589 1.00 0.40 H new ATOM 0 HH2 TRP A 55 19.134 -0.210 -25.654 1.00 0.50 H new ATOM 883 N ASP A 56 20.943 -2.889 -19.377 1.00 0.21 N ATOM 884 CA ASP A 56 20.642 -4.292 -19.705 1.00 0.36 C ATOM 885 C ASP A 56 19.477 -4.791 -18.857 1.00 0.38 C ATOM 886 O ASP A 56 18.413 -5.077 -19.362 1.00 0.42 O ATOM 887 CB ASP A 56 22.012 -4.974 -19.476 1.00 0.46 C ATOM 888 CG ASP A 56 22.666 -5.107 -20.818 1.00 0.50 C ATOM 889 OD1 ASP A 56 22.210 -5.899 -21.621 1.00 1.16 O ATOM 890 OD2 ASP A 56 23.620 -4.380 -20.994 1.00 0.90 O ATOM 0 H ASP A 56 21.941 -2.700 -19.287 1.00 0.21 H new ATOM 0 HA ASP A 56 20.287 -4.494 -20.716 1.00 0.36 H new ATOM 0 HB2 ASP A 56 22.630 -4.380 -18.803 1.00 0.46 H new ATOM 0 HB3 ASP A 56 21.883 -5.952 -19.011 1.00 0.46 H new ATOM 895 N ALA A 57 19.724 -4.863 -17.586 1.00 0.40 N ATOM 896 CA ALA A 57 18.724 -5.321 -16.586 1.00 0.54 C ATOM 897 C ALA A 57 17.283 -4.824 -16.890 1.00 0.27 C ATOM 898 O ALA A 57 16.337 -5.585 -16.901 1.00 0.37 O ATOM 899 CB ALA A 57 19.256 -4.821 -15.213 1.00 0.77 C ATOM 0 H ALA A 57 20.624 -4.610 -17.178 1.00 0.40 H new ATOM 0 HA ALA A 57 18.624 -6.406 -16.603 1.00 0.54 H new ATOM 0 HB1 ALA A 57 18.567 -5.123 -14.424 1.00 0.77 H new ATOM 0 HB2 ALA A 57 20.238 -5.255 -15.023 1.00 0.77 H new ATOM 0 HB3 ALA A 57 19.336 -3.734 -15.228 1.00 0.77 H new ATOM 905 N TRP A 58 17.170 -3.547 -17.147 1.00 0.07 N ATOM 906 CA TRP A 58 15.843 -2.887 -17.450 1.00 0.24 C ATOM 907 C TRP A 58 15.354 -2.945 -18.938 1.00 0.27 C ATOM 908 O TRP A 58 14.189 -3.146 -19.241 1.00 0.40 O ATOM 909 CB TRP A 58 16.032 -1.441 -16.920 1.00 0.27 C ATOM 910 CG TRP A 58 14.827 -0.527 -17.160 1.00 0.26 C ATOM 911 CD1 TRP A 58 13.517 -0.904 -17.226 1.00 0.25 C ATOM 912 CD2 TRP A 58 14.917 0.809 -17.347 1.00 0.24 C ATOM 913 NE1 TRP A 58 12.912 0.248 -17.455 1.00 0.24 N ATOM 914 CE2 TRP A 58 13.665 1.318 -17.540 1.00 0.23 C ATOM 915 CE3 TRP A 58 15.994 1.673 -17.376 1.00 0.24 C ATOM 916 CZ2 TRP A 58 13.468 2.652 -17.760 1.00 0.22 C ATOM 917 CZ3 TRP A 58 15.802 3.023 -17.598 1.00 0.22 C ATOM 918 CH2 TRP A 58 14.539 3.510 -17.791 1.00 0.22 C ATOM 0 H TRP A 58 17.963 -2.906 -17.162 1.00 0.07 H new ATOM 0 HA TRP A 58 15.030 -3.430 -16.968 1.00 0.24 H new ATOM 0 HB2 TRP A 58 16.237 -1.481 -15.850 1.00 0.27 H new ATOM 0 HB3 TRP A 58 16.909 -1.002 -17.397 1.00 0.27 H new ATOM 0 HD1 TRP A 58 13.087 -1.889 -17.119 1.00 0.25 H new ATOM 0 HE1 TRP A 58 11.899 0.303 -17.561 1.00 0.24 H new ATOM 0 HE3 TRP A 58 16.993 1.291 -17.224 1.00 0.24 H new ATOM 0 HZ2 TRP A 58 12.468 3.032 -17.910 1.00 0.22 H new ATOM 0 HZ3 TRP A 58 16.649 3.693 -17.619 1.00 0.22 H new ATOM 0 HH2 TRP A 58 14.385 4.564 -17.967 1.00 0.22 H new ATOM 929 N ASN A 59 16.271 -2.779 -19.844 1.00 0.26 N ATOM 930 CA ASN A 59 16.036 -2.794 -21.306 1.00 0.35 C ATOM 931 C ASN A 59 15.254 -4.014 -21.816 1.00 0.52 C ATOM 932 O ASN A 59 14.908 -4.082 -22.977 1.00 0.91 O ATOM 933 CB ASN A 59 17.423 -2.678 -21.927 1.00 0.35 C ATOM 934 CG ASN A 59 17.246 -2.151 -23.313 1.00 0.52 C ATOM 935 OD1 ASN A 59 17.013 -0.992 -23.563 1.00 1.04 O ATOM 936 ND2 ASN A 59 17.340 -2.991 -24.268 1.00 0.36 N ATOM 0 H ASN A 59 17.250 -2.621 -19.603 1.00 0.26 H new ATOM 0 HA ASN A 59 15.384 -1.969 -21.595 1.00 0.35 H new ATOM 0 HB2 ASN A 59 18.053 -2.010 -21.339 1.00 0.35 H new ATOM 0 HB3 ASN A 59 17.918 -3.649 -21.945 1.00 0.35 H new ATOM 0 HD21 ASN A 59 17.219 -2.682 -25.233 1.00 0.36 H new ATOM 0 HD22 ASN A 59 17.536 -3.972 -24.067 1.00 0.36 H new ATOM 943 N GLU A 60 15.022 -4.940 -20.933 1.00 0.42 N ATOM 944 CA GLU A 60 14.257 -6.168 -21.289 1.00 0.66 C ATOM 945 C GLU A 60 12.801 -5.977 -20.803 1.00 0.64 C ATOM 946 O GLU A 60 11.828 -6.336 -21.433 1.00 0.87 O ATOM 947 CB GLU A 60 14.953 -7.356 -20.607 1.00 0.85 C ATOM 948 CG GLU A 60 14.287 -8.703 -21.092 1.00 1.27 C ATOM 949 CD GLU A 60 14.481 -8.973 -22.601 1.00 3.10 C ATOM 950 OE1 GLU A 60 13.919 -8.242 -23.404 1.00 4.66 O ATOM 951 OE2 GLU A 60 15.194 -9.928 -22.864 1.00 3.06 O ATOM 0 H GLU A 60 15.334 -4.899 -19.963 1.00 0.42 H new ATOM 0 HA GLU A 60 14.230 -6.356 -22.362 1.00 0.66 H new ATOM 0 HB2 GLU A 60 16.016 -7.356 -20.848 1.00 0.85 H new ATOM 0 HB3 GLU A 60 14.871 -7.267 -19.524 1.00 0.85 H new ATOM 0 HG2 GLU A 60 14.708 -9.533 -20.525 1.00 1.27 H new ATOM 0 HG3 GLU A 60 13.220 -8.673 -20.870 1.00 1.27 H new ATOM 958 N LEU A 61 12.722 -5.359 -19.656 1.00 0.43 N ATOM 959 CA LEU A 61 11.444 -5.036 -18.932 1.00 0.35 C ATOM 960 C LEU A 61 10.710 -3.850 -19.535 1.00 0.28 C ATOM 961 O LEU A 61 9.522 -3.695 -19.356 1.00 0.34 O ATOM 962 CB LEU A 61 11.713 -4.636 -17.498 1.00 0.30 C ATOM 963 CG LEU A 61 12.747 -5.479 -16.782 1.00 0.37 C ATOM 964 CD1 LEU A 61 12.802 -4.939 -15.376 1.00 0.37 C ATOM 965 CD2 LEU A 61 12.283 -6.903 -16.779 1.00 0.44 C ATOM 0 H LEU A 61 13.551 -5.041 -19.153 1.00 0.43 H new ATOM 0 HA LEU A 61 10.848 -5.945 -19.008 1.00 0.35 H new ATOM 0 HB2 LEU A 61 12.039 -3.596 -17.482 1.00 0.30 H new ATOM 0 HB3 LEU A 61 10.777 -4.685 -16.941 1.00 0.30 H new ATOM 0 HG LEU A 61 13.728 -5.442 -17.256 1.00 0.37 H new ATOM 0 HD11 LEU A 61 13.533 -5.504 -14.798 1.00 0.37 H new ATOM 0 HD12 LEU A 61 13.092 -3.889 -15.401 1.00 0.37 H new ATOM 0 HD13 LEU A 61 11.820 -5.033 -14.911 1.00 0.37 H new ATOM 0 HD21 LEU A 61 13.018 -7.524 -16.266 1.00 0.44 H new ATOM 0 HD22 LEU A 61 11.326 -6.973 -16.263 1.00 0.44 H new ATOM 0 HD23 LEU A 61 12.168 -7.250 -17.806 1.00 0.44 H new ATOM 977 N LYS A 62 11.482 -3.054 -20.195 1.00 0.27 N ATOM 978 CA LYS A 62 11.008 -1.830 -20.882 1.00 0.30 C ATOM 979 C LYS A 62 9.487 -1.646 -21.074 1.00 0.62 C ATOM 980 O LYS A 62 8.967 -0.595 -20.780 1.00 1.55 O ATOM 981 CB LYS A 62 11.781 -1.835 -22.216 1.00 0.26 C ATOM 982 CG LYS A 62 11.168 -0.736 -23.087 1.00 0.25 C ATOM 983 CD LYS A 62 11.838 -0.676 -24.472 1.00 0.39 C ATOM 984 CE LYS A 62 11.111 0.398 -25.297 1.00 0.87 C ATOM 985 NZ LYS A 62 9.714 -0.080 -25.541 1.00 1.87 N ATOM 0 H LYS A 62 12.485 -3.211 -20.293 1.00 0.27 H new ATOM 0 HA LYS A 62 11.207 -0.969 -20.244 1.00 0.30 H new ATOM 0 HB2 LYS A 62 12.842 -1.649 -22.049 1.00 0.26 H new ATOM 0 HB3 LYS A 62 11.701 -2.806 -22.705 1.00 0.26 H new ATOM 0 HG2 LYS A 62 10.100 -0.917 -23.206 1.00 0.25 H new ATOM 0 HG3 LYS A 62 11.274 0.227 -22.588 1.00 0.25 H new ATOM 0 HD2 LYS A 62 12.896 -0.432 -24.375 1.00 0.39 H new ATOM 0 HD3 LYS A 62 11.778 -1.645 -24.968 1.00 0.39 H new ATOM 0 HE2 LYS A 62 11.102 1.348 -24.763 1.00 0.87 H new ATOM 0 HE3 LYS A 62 11.627 0.568 -26.242 1.00 0.87 H new ATOM 0 HZ1 LYS A 62 9.370 0.301 -26.445 1.00 1.87 H new ATOM 0 HZ2 LYS A 62 9.704 -1.119 -25.577 1.00 1.87 H new ATOM 0 HZ3 LYS A 62 9.096 0.246 -24.770 1.00 1.87 H new ATOM 999 N GLY A 63 8.833 -2.667 -21.544 1.00 0.21 N ATOM 1000 CA GLY A 63 7.332 -2.590 -21.783 1.00 0.22 C ATOM 1001 C GLY A 63 6.432 -3.257 -20.722 1.00 0.22 C ATOM 1002 O GLY A 63 5.308 -3.637 -20.986 1.00 0.39 O ATOM 0 H GLY A 63 9.258 -3.564 -21.780 1.00 0.21 H new ATOM 0 HA2 GLY A 63 7.052 -1.539 -21.857 1.00 0.22 H new ATOM 0 HA3 GLY A 63 7.116 -3.046 -22.749 1.00 0.22 H new ATOM 1006 N THR A 64 6.967 -3.362 -19.543 1.00 0.10 N ATOM 1007 CA THR A 64 6.250 -3.982 -18.354 1.00 0.11 C ATOM 1008 C THR A 64 5.513 -2.864 -17.638 1.00 0.14 C ATOM 1009 O THR A 64 5.773 -1.698 -17.868 1.00 0.28 O ATOM 1010 CB THR A 64 7.262 -4.626 -17.326 1.00 0.18 C ATOM 1011 OG1 THR A 64 7.439 -5.975 -17.719 1.00 0.30 O ATOM 1012 CG2 THR A 64 6.742 -4.810 -15.860 1.00 0.20 C ATOM 0 H THR A 64 7.909 -3.036 -19.328 1.00 0.10 H new ATOM 0 HA THR A 64 5.584 -4.765 -18.716 1.00 0.11 H new ATOM 0 HB THR A 64 8.121 -3.955 -17.334 1.00 0.18 H new ATOM 0 HG1 THR A 64 8.064 -6.415 -17.106 1.00 0.30 H new ATOM 0 HG21 THR A 64 7.525 -5.260 -15.250 1.00 0.20 H new ATOM 0 HG22 THR A 64 6.472 -3.839 -15.445 1.00 0.20 H new ATOM 0 HG23 THR A 64 5.866 -5.459 -15.863 1.00 0.20 H new ATOM 1020 N SER A 65 4.605 -3.211 -16.777 1.00 0.22 N ATOM 1021 CA SER A 65 3.878 -2.140 -16.067 1.00 0.42 C ATOM 1022 C SER A 65 4.414 -1.838 -14.672 1.00 0.33 C ATOM 1023 O SER A 65 4.572 -2.654 -13.792 1.00 0.49 O ATOM 1024 CB SER A 65 2.400 -2.516 -15.977 1.00 0.74 C ATOM 1025 OG SER A 65 2.356 -3.936 -15.832 1.00 0.33 O ATOM 0 H SER A 65 4.341 -4.167 -16.540 1.00 0.22 H new ATOM 0 HA SER A 65 4.023 -1.229 -16.648 1.00 0.42 H new ATOM 0 HB2 SER A 65 1.924 -2.024 -15.129 1.00 0.74 H new ATOM 0 HB3 SER A 65 1.863 -2.200 -16.871 1.00 0.74 H new ATOM 0 HG SER A 65 2.326 -4.167 -14.880 1.00 0.33 H new ATOM 1031 N LYS A 66 4.695 -0.586 -14.556 1.00 0.39 N ATOM 1032 CA LYS A 66 5.229 0.100 -13.327 1.00 0.41 C ATOM 1033 C LYS A 66 5.019 -0.532 -11.896 1.00 0.51 C ATOM 1034 O LYS A 66 5.810 -0.501 -10.972 1.00 0.73 O ATOM 1035 CB LYS A 66 4.620 1.488 -13.412 1.00 0.46 C ATOM 1036 CG LYS A 66 5.172 2.220 -14.687 1.00 0.45 C ATOM 1037 CD LYS A 66 4.494 3.610 -14.890 1.00 0.84 C ATOM 1038 CE LYS A 66 4.671 4.478 -13.659 1.00 1.16 C ATOM 1039 NZ LYS A 66 6.128 4.533 -13.400 1.00 0.81 N ATOM 0 H LYS A 66 4.568 0.062 -15.333 1.00 0.39 H new ATOM 0 HA LYS A 66 6.316 0.029 -13.369 1.00 0.41 H new ATOM 0 HB2 LYS A 66 3.533 1.418 -13.460 1.00 0.46 H new ATOM 0 HB3 LYS A 66 4.863 2.060 -12.516 1.00 0.46 H new ATOM 0 HG2 LYS A 66 6.250 2.351 -14.594 1.00 0.45 H new ATOM 0 HG3 LYS A 66 5.001 1.599 -15.566 1.00 0.45 H new ATOM 0 HD2 LYS A 66 4.927 4.108 -15.758 1.00 0.84 H new ATOM 0 HD3 LYS A 66 3.432 3.476 -15.097 1.00 0.84 H new ATOM 0 HE2 LYS A 66 4.267 5.477 -13.825 1.00 1.16 H new ATOM 0 HE3 LYS A 66 4.139 4.057 -12.806 1.00 1.16 H new ATOM 0 HZ1 LYS A 66 6.396 5.500 -13.126 1.00 0.81 H new ATOM 0 HZ2 LYS A 66 6.369 3.876 -12.631 1.00 0.81 H new ATOM 0 HZ3 LYS A 66 6.644 4.262 -14.261 1.00 0.81 H new ATOM 1053 N GLU A 67 3.882 -1.113 -11.776 1.00 0.37 N ATOM 1054 CA GLU A 67 3.412 -1.779 -10.520 1.00 0.44 C ATOM 1055 C GLU A 67 3.972 -3.210 -10.338 1.00 0.42 C ATOM 1056 O GLU A 67 4.361 -3.638 -9.269 1.00 0.41 O ATOM 1057 CB GLU A 67 1.911 -1.646 -10.666 1.00 0.56 C ATOM 1058 CG GLU A 67 1.530 -0.121 -10.261 1.00 0.67 C ATOM 1059 CD GLU A 67 1.587 0.174 -8.752 1.00 1.66 C ATOM 1060 OE1 GLU A 67 1.748 -0.791 -8.022 1.00 2.41 O ATOM 1061 OE2 GLU A 67 1.464 1.362 -8.441 1.00 2.44 O ATOM 0 H GLU A 67 3.206 -1.165 -12.538 1.00 0.37 H new ATOM 0 HA GLU A 67 3.770 -1.334 -9.592 1.00 0.44 H new ATOM 0 HB2 GLU A 67 1.602 -1.862 -11.689 1.00 0.56 H new ATOM 0 HB3 GLU A 67 1.396 -2.357 -10.020 1.00 0.56 H new ATOM 0 HG2 GLU A 67 2.209 0.558 -10.777 1.00 0.67 H new ATOM 0 HG3 GLU A 67 0.525 0.097 -10.623 1.00 0.67 H new ATOM 1068 N ASP A 68 4.014 -3.964 -11.392 1.00 0.43 N ATOM 1069 CA ASP A 68 4.552 -5.367 -11.387 1.00 0.40 C ATOM 1070 C ASP A 68 5.991 -5.218 -10.919 1.00 0.37 C ATOM 1071 O ASP A 68 6.597 -5.951 -10.158 1.00 0.32 O ATOM 1072 CB ASP A 68 4.348 -5.779 -12.805 1.00 0.58 C ATOM 1073 CG ASP A 68 2.855 -5.824 -12.977 1.00 1.11 C ATOM 1074 OD1 ASP A 68 2.261 -4.769 -13.129 1.00 2.59 O ATOM 1075 OD2 ASP A 68 2.329 -6.906 -12.907 1.00 0.47 O ATOM 0 H ASP A 68 3.683 -3.658 -12.307 1.00 0.43 H new ATOM 0 HA ASP A 68 4.101 -6.121 -10.741 1.00 0.40 H new ATOM 0 HB2 ASP A 68 4.805 -5.068 -13.494 1.00 0.58 H new ATOM 0 HB3 ASP A 68 4.799 -6.751 -13.004 1.00 0.58 H new ATOM 1080 N ALA A 69 6.510 -4.170 -11.465 1.00 0.44 N ATOM 1081 CA ALA A 69 7.892 -3.789 -11.150 1.00 0.49 C ATOM 1082 C ALA A 69 7.958 -3.624 -9.631 1.00 0.47 C ATOM 1083 O ALA A 69 8.932 -4.038 -9.047 1.00 0.53 O ATOM 1084 CB ALA A 69 8.161 -2.520 -11.911 1.00 0.50 C ATOM 0 H ALA A 69 6.029 -3.556 -12.123 1.00 0.44 H new ATOM 0 HA ALA A 69 8.650 -4.518 -11.437 1.00 0.49 H new ATOM 0 HB1 ALA A 69 9.180 -2.187 -11.715 1.00 0.50 H new ATOM 0 HB2 ALA A 69 8.039 -2.703 -12.979 1.00 0.50 H new ATOM 0 HB3 ALA A 69 7.460 -1.749 -11.592 1.00 0.50 H new ATOM 1090 N MET A 70 6.963 -3.056 -9.009 1.00 0.46 N ATOM 1091 CA MET A 70 7.010 -2.902 -7.524 1.00 0.42 C ATOM 1092 C MET A 70 6.975 -4.296 -6.873 1.00 0.36 C ATOM 1093 O MET A 70 7.839 -4.611 -6.075 1.00 0.40 O ATOM 1094 CB MET A 70 5.785 -2.110 -7.010 1.00 0.44 C ATOM 1095 CG MET A 70 5.722 -0.695 -7.562 1.00 0.42 C ATOM 1096 SD MET A 70 4.335 0.292 -6.960 1.00 0.43 S ATOM 1097 CE MET A 70 4.709 1.791 -7.894 1.00 0.25 C ATOM 0 H MET A 70 6.123 -2.693 -9.459 1.00 0.46 H new ATOM 0 HA MET A 70 7.923 -2.366 -7.266 1.00 0.42 H new ATOM 0 HB2 MET A 70 4.874 -2.642 -7.283 1.00 0.44 H new ATOM 0 HB3 MET A 70 5.816 -2.069 -5.921 1.00 0.44 H new ATOM 0 HG2 MET A 70 6.650 -0.181 -7.313 1.00 0.42 H new ATOM 0 HG3 MET A 70 5.668 -0.746 -8.649 1.00 0.42 H new ATOM 0 HE1 MET A 70 3.835 2.442 -7.902 1.00 0.25 H new ATOM 0 HE2 MET A 70 5.545 2.311 -7.427 1.00 0.25 H new ATOM 0 HE3 MET A 70 4.973 1.526 -8.918 1.00 0.25 H new ATOM 1107 N LYS A 71 5.958 -5.034 -7.272 1.00 0.36 N ATOM 1108 CA LYS A 71 5.694 -6.430 -6.790 1.00 0.48 C ATOM 1109 C LYS A 71 7.043 -7.147 -6.492 1.00 0.49 C ATOM 1110 O LYS A 71 7.218 -7.724 -5.443 1.00 0.71 O ATOM 1111 CB LYS A 71 4.860 -7.193 -7.904 1.00 0.56 C ATOM 1112 CG LYS A 71 3.386 -6.674 -8.108 1.00 1.28 C ATOM 1113 CD LYS A 71 2.735 -7.546 -9.267 1.00 2.09 C ATOM 1114 CE LYS A 71 1.421 -6.981 -9.903 1.00 3.61 C ATOM 1115 NZ LYS A 71 1.611 -5.609 -10.481 1.00 4.38 N ATOM 0 H LYS A 71 5.268 -4.703 -7.947 1.00 0.36 H new ATOM 0 HA LYS A 71 5.118 -6.418 -5.864 1.00 0.48 H new ATOM 0 HB2 LYS A 71 5.391 -7.113 -8.852 1.00 0.56 H new ATOM 0 HB3 LYS A 71 4.824 -8.252 -7.647 1.00 0.56 H new ATOM 0 HG2 LYS A 71 2.813 -6.771 -7.186 1.00 1.28 H new ATOM 0 HG3 LYS A 71 3.384 -5.617 -8.375 1.00 1.28 H new ATOM 0 HD2 LYS A 71 3.474 -7.669 -10.059 1.00 2.09 H new ATOM 0 HD3 LYS A 71 2.524 -8.539 -8.871 1.00 2.09 H new ATOM 0 HE2 LYS A 71 1.079 -7.658 -10.686 1.00 3.61 H new ATOM 0 HE3 LYS A 71 0.638 -6.948 -9.145 1.00 3.61 H new ATOM 0 HZ1 LYS A 71 0.925 -4.954 -10.054 1.00 4.38 H new ATOM 0 HZ2 LYS A 71 2.576 -5.278 -10.280 1.00 4.38 H new ATOM 0 HZ3 LYS A 71 1.464 -5.642 -11.510 1.00 4.38 H new ATOM 1129 N ALA A 72 7.961 -7.085 -7.430 1.00 0.34 N ATOM 1130 CA ALA A 72 9.319 -7.726 -7.287 1.00 0.33 C ATOM 1131 C ALA A 72 10.376 -6.693 -6.835 1.00 0.28 C ATOM 1132 O ALA A 72 11.183 -7.003 -5.977 1.00 0.28 O ATOM 1133 CB ALA A 72 9.634 -8.334 -8.657 1.00 0.35 C ATOM 0 H ALA A 72 7.824 -6.602 -8.318 1.00 0.34 H new ATOM 0 HA ALA A 72 9.331 -8.496 -6.516 1.00 0.33 H new ATOM 0 HB1 ALA A 72 10.610 -8.818 -8.625 1.00 0.35 H new ATOM 0 HB2 ALA A 72 8.872 -9.071 -8.912 1.00 0.35 H new ATOM 0 HB3 ALA A 72 9.644 -7.547 -9.411 1.00 0.35 H new ATOM 1139 N TYR A 73 10.377 -5.509 -7.390 1.00 0.26 N ATOM 1140 CA TYR A 73 11.378 -4.497 -6.963 1.00 0.23 C ATOM 1141 C TYR A 73 11.579 -4.523 -5.454 1.00 0.20 C ATOM 1142 O TYR A 73 12.652 -4.731 -4.923 1.00 0.22 O ATOM 1143 CB TYR A 73 10.900 -3.134 -7.341 1.00 0.20 C ATOM 1144 CG TYR A 73 11.863 -2.185 -6.678 1.00 0.18 C ATOM 1145 CD1 TYR A 73 13.152 -2.149 -7.141 1.00 0.73 C ATOM 1146 CD2 TYR A 73 11.459 -1.374 -5.635 1.00 0.76 C ATOM 1147 CE1 TYR A 73 14.033 -1.301 -6.558 1.00 0.75 C ATOM 1148 CE2 TYR A 73 12.361 -0.527 -5.076 1.00 0.73 C ATOM 1149 CZ TYR A 73 13.640 -0.507 -5.549 1.00 0.22 C ATOM 1150 OH TYR A 73 14.578 0.315 -5.015 1.00 0.27 O ATOM 0 H TYR A 73 9.730 -5.203 -8.117 1.00 0.26 H new ATOM 0 HA TYR A 73 12.321 -4.732 -7.456 1.00 0.23 H new ATOM 0 HB2 TYR A 73 10.898 -3.002 -8.423 1.00 0.20 H new ATOM 0 HB3 TYR A 73 9.879 -2.964 -6.998 1.00 0.20 H new ATOM 0 HD1 TYR A 73 13.460 -2.786 -7.957 1.00 0.73 H new ATOM 0 HD2 TYR A 73 10.443 -1.413 -5.271 1.00 0.76 H new ATOM 0 HE1 TYR A 73 15.055 -1.263 -6.906 1.00 0.75 H new ATOM 0 HE2 TYR A 73 12.069 0.124 -4.265 1.00 0.73 H new ATOM 0 HH TYR A 73 15.060 0.773 -5.735 1.00 0.27 H new ATOM 1160 N ILE A 74 10.440 -4.296 -4.861 1.00 0.17 N ATOM 1161 CA ILE A 74 10.320 -4.245 -3.399 1.00 0.17 C ATOM 1162 C ILE A 74 10.931 -5.485 -2.817 1.00 0.20 C ATOM 1163 O ILE A 74 11.931 -5.355 -2.165 1.00 0.24 O ATOM 1164 CB ILE A 74 8.868 -4.147 -3.040 1.00 0.13 C ATOM 1165 CG1 ILE A 74 8.321 -2.870 -3.618 1.00 0.10 C ATOM 1166 CG2 ILE A 74 8.848 -3.984 -1.521 1.00 0.16 C ATOM 1167 CD1 ILE A 74 6.828 -2.853 -3.374 1.00 0.25 C ATOM 0 H ILE A 74 9.563 -4.140 -5.359 1.00 0.17 H new ATOM 0 HA ILE A 74 10.843 -3.377 -2.997 1.00 0.17 H new ATOM 0 HB ILE A 74 8.298 -5.004 -3.397 1.00 0.13 H new ATOM 0 HG12 ILE A 74 8.794 -2.006 -3.151 1.00 0.10 H new ATOM 0 HG13 ILE A 74 8.534 -2.812 -4.685 1.00 0.10 H new ATOM 0 HG21 ILE A 74 7.817 -3.905 -1.177 1.00 0.16 H new ATOM 0 HG22 ILE A 74 9.320 -4.849 -1.056 1.00 0.16 H new ATOM 0 HG23 ILE A 74 9.393 -3.081 -1.245 1.00 0.16 H new ATOM 0 HD11 ILE A 74 6.403 -1.937 -3.783 1.00 0.25 H new ATOM 0 HD12 ILE A 74 6.370 -3.714 -3.860 1.00 0.25 H new ATOM 0 HD13 ILE A 74 6.634 -2.896 -2.302 1.00 0.25 H new ATOM 1179 N ASP A 75 10.367 -6.643 -3.030 1.00 0.18 N ATOM 1180 CA ASP A 75 10.990 -7.870 -2.454 1.00 0.13 C ATOM 1181 C ASP A 75 12.515 -7.859 -2.533 1.00 0.07 C ATOM 1182 O ASP A 75 13.235 -8.166 -1.598 1.00 0.12 O ATOM 1183 CB ASP A 75 10.374 -9.034 -3.197 1.00 0.25 C ATOM 1184 CG ASP A 75 9.710 -10.029 -2.242 1.00 1.17 C ATOM 1185 OD1 ASP A 75 8.834 -9.584 -1.524 1.00 1.24 O ATOM 1186 OD2 ASP A 75 10.112 -11.182 -2.287 1.00 2.23 O ATOM 0 H ASP A 75 9.514 -6.793 -3.570 1.00 0.18 H new ATOM 0 HA ASP A 75 10.790 -7.939 -1.385 1.00 0.13 H new ATOM 0 HB2 ASP A 75 9.635 -8.662 -3.907 1.00 0.25 H new ATOM 0 HB3 ASP A 75 11.144 -9.544 -3.776 1.00 0.25 H new ATOM 1191 N LYS A 76 12.973 -7.467 -3.684 1.00 0.15 N ATOM 1192 CA LYS A 76 14.447 -7.436 -3.818 1.00 0.07 C ATOM 1193 C LYS A 76 14.971 -6.336 -2.918 1.00 0.17 C ATOM 1194 O LYS A 76 15.915 -6.603 -2.209 1.00 0.22 O ATOM 1195 CB LYS A 76 14.800 -7.233 -5.289 1.00 0.09 C ATOM 1196 CG LYS A 76 16.287 -7.693 -5.395 1.00 0.31 C ATOM 1197 CD LYS A 76 16.450 -9.209 -4.952 1.00 0.78 C ATOM 1198 CE LYS A 76 16.986 -10.073 -6.067 1.00 0.61 C ATOM 1199 NZ LYS A 76 17.459 -11.353 -5.450 1.00 1.20 N ATOM 0 H LYS A 76 12.426 -7.181 -4.496 1.00 0.15 H new ATOM 0 HA LYS A 76 14.914 -8.371 -3.507 1.00 0.07 H new ATOM 0 HB2 LYS A 76 14.154 -7.823 -5.938 1.00 0.09 H new ATOM 0 HB3 LYS A 76 14.684 -6.191 -5.586 1.00 0.09 H new ATOM 0 HG2 LYS A 76 16.636 -7.571 -6.420 1.00 0.31 H new ATOM 0 HG3 LYS A 76 16.913 -7.058 -4.767 1.00 0.31 H new ATOM 0 HD2 LYS A 76 17.122 -9.265 -4.096 1.00 0.78 H new ATOM 0 HD3 LYS A 76 15.485 -9.597 -4.626 1.00 0.78 H new ATOM 0 HE2 LYS A 76 16.211 -10.267 -6.809 1.00 0.61 H new ATOM 0 HE3 LYS A 76 17.804 -9.570 -6.584 1.00 0.61 H new ATOM 0 HZ1 LYS A 76 18.002 -11.896 -6.151 1.00 1.20 H new ATOM 0 HZ2 LYS A 76 18.065 -11.141 -4.632 1.00 1.20 H new ATOM 0 HZ3 LYS A 76 16.639 -11.912 -5.138 1.00 1.20 H new ATOM 1213 N VAL A 77 14.432 -5.150 -2.909 1.00 0.21 N ATOM 1214 CA VAL A 77 15.000 -4.114 -1.972 1.00 0.18 C ATOM 1215 C VAL A 77 14.972 -4.736 -0.592 1.00 0.18 C ATOM 1216 O VAL A 77 15.944 -4.652 0.139 1.00 0.21 O ATOM 1217 CB VAL A 77 14.163 -2.878 -1.956 1.00 0.14 C ATOM 1218 CG1 VAL A 77 14.737 -1.928 -0.857 1.00 0.17 C ATOM 1219 CG2 VAL A 77 14.270 -2.206 -3.312 1.00 0.14 C ATOM 0 H VAL A 77 13.647 -4.849 -3.486 1.00 0.21 H new ATOM 0 HA VAL A 77 16.004 -3.831 -2.288 1.00 0.18 H new ATOM 0 HB VAL A 77 13.119 -3.111 -1.746 1.00 0.14 H new ATOM 0 HG11 VAL A 77 14.145 -1.014 -0.821 1.00 0.17 H new ATOM 0 HG12 VAL A 77 14.695 -2.426 0.112 1.00 0.17 H new ATOM 0 HG13 VAL A 77 15.772 -1.681 -1.094 1.00 0.17 H new ATOM 0 HG21 VAL A 77 13.664 -1.300 -3.318 1.00 0.14 H new ATOM 0 HG22 VAL A 77 15.310 -1.948 -3.509 1.00 0.14 H new ATOM 0 HG23 VAL A 77 13.913 -2.887 -4.085 1.00 0.14 H new ATOM 1229 N GLU A 78 13.848 -5.345 -0.278 1.00 0.18 N ATOM 1230 CA GLU A 78 13.673 -6.016 1.033 1.00 0.18 C ATOM 1231 C GLU A 78 14.969 -6.738 1.374 1.00 0.24 C ATOM 1232 O GLU A 78 15.470 -6.612 2.475 1.00 0.31 O ATOM 1233 CB GLU A 78 12.476 -7.001 0.931 1.00 0.24 C ATOM 1234 CG GLU A 78 11.415 -6.697 2.030 1.00 0.44 C ATOM 1235 CD GLU A 78 12.032 -6.954 3.394 1.00 1.27 C ATOM 1236 OE1 GLU A 78 12.869 -6.179 3.819 1.00 1.24 O ATOM 1237 OE2 GLU A 78 11.664 -7.956 3.979 1.00 2.38 O ATOM 0 H GLU A 78 13.037 -5.400 -0.894 1.00 0.18 H new ATOM 0 HA GLU A 78 13.456 -5.300 1.825 1.00 0.18 H new ATOM 0 HB2 GLU A 78 12.018 -6.923 -0.055 1.00 0.24 H new ATOM 0 HB3 GLU A 78 12.832 -8.026 1.037 1.00 0.24 H new ATOM 0 HG2 GLU A 78 11.082 -5.662 1.956 1.00 0.44 H new ATOM 0 HG3 GLU A 78 10.536 -7.326 1.889 1.00 0.44 H new ATOM 1244 N GLU A 79 15.460 -7.497 0.426 1.00 0.36 N ATOM 1245 CA GLU A 79 16.730 -8.250 0.607 1.00 0.49 C ATOM 1246 C GLU A 79 17.894 -7.353 1.050 1.00 0.51 C ATOM 1247 O GLU A 79 18.503 -7.643 2.060 1.00 0.41 O ATOM 1248 CB GLU A 79 17.106 -8.918 -0.689 1.00 0.60 C ATOM 1249 CG GLU A 79 16.163 -10.098 -1.034 1.00 0.61 C ATOM 1250 CD GLU A 79 17.090 -11.243 -1.412 1.00 0.82 C ATOM 1251 OE1 GLU A 79 17.581 -11.821 -0.455 1.00 1.50 O ATOM 1252 OE2 GLU A 79 17.299 -11.453 -2.596 1.00 1.16 O ATOM 0 H GLU A 79 15.020 -7.626 -0.485 1.00 0.36 H new ATOM 0 HA GLU A 79 16.555 -8.984 1.394 1.00 0.49 H new ATOM 0 HB2 GLU A 79 17.078 -8.185 -1.495 1.00 0.60 H new ATOM 0 HB3 GLU A 79 18.132 -9.282 -0.624 1.00 0.60 H new ATOM 0 HG2 GLU A 79 15.534 -10.363 -0.184 1.00 0.61 H new ATOM 0 HG3 GLU A 79 15.495 -9.842 -1.857 1.00 0.61 H new ATOM 1259 N LEU A 80 18.247 -6.298 0.347 1.00 0.66 N ATOM 1260 CA LEU A 80 19.359 -5.440 0.780 1.00 0.69 C ATOM 1261 C LEU A 80 19.423 -5.166 2.281 1.00 0.60 C ATOM 1262 O LEU A 80 20.449 -5.177 2.923 1.00 0.64 O ATOM 1263 CB LEU A 80 19.133 -4.273 -0.030 1.00 0.76 C ATOM 1264 CG LEU A 80 19.529 -4.580 -1.467 1.00 0.83 C ATOM 1265 CD1 LEU A 80 20.908 -5.167 -1.646 1.00 1.95 C ATOM 1266 CD2 LEU A 80 18.514 -5.064 -2.459 1.00 2.34 C ATOM 0 H LEU A 80 17.794 -6.006 -0.519 1.00 0.66 H new ATOM 0 HA LEU A 80 20.338 -5.897 0.639 1.00 0.69 H new ATOM 0 HB2 LEU A 80 18.084 -3.980 0.017 1.00 0.76 H new ATOM 0 HB3 LEU A 80 19.715 -3.433 0.349 1.00 0.76 H new ATOM 0 HG LEU A 80 19.577 -3.543 -1.801 1.00 0.83 H new ATOM 0 HD11 LEU A 80 21.091 -5.349 -2.705 1.00 1.95 H new ATOM 0 HD12 LEU A 80 21.653 -4.469 -1.263 1.00 1.95 H new ATOM 0 HD13 LEU A 80 20.977 -6.108 -1.099 1.00 1.95 H new ATOM 0 HD21 LEU A 80 18.996 -5.224 -3.424 1.00 2.34 H new ATOM 0 HD22 LEU A 80 18.081 -6.001 -2.109 1.00 2.34 H new ATOM 0 HD23 LEU A 80 17.726 -4.319 -2.567 1.00 2.34 H new ATOM 1278 N LYS A 81 18.268 -4.903 2.788 1.00 0.62 N ATOM 1279 CA LYS A 81 18.118 -4.616 4.261 1.00 0.79 C ATOM 1280 C LYS A 81 18.792 -5.693 5.154 1.00 0.76 C ATOM 1281 O LYS A 81 19.373 -5.445 6.193 1.00 1.03 O ATOM 1282 CB LYS A 81 16.623 -4.525 4.476 1.00 0.76 C ATOM 1283 CG LYS A 81 16.231 -4.312 5.945 1.00 1.07 C ATOM 1284 CD LYS A 81 14.667 -4.106 5.981 1.00 0.87 C ATOM 1285 CE LYS A 81 14.350 -2.861 6.795 1.00 0.77 C ATOM 1286 NZ LYS A 81 15.044 -1.755 6.086 1.00 0.90 N ATOM 0 H LYS A 81 17.399 -4.869 2.255 1.00 0.62 H new ATOM 0 HA LYS A 81 18.626 -3.696 4.551 1.00 0.79 H new ATOM 0 HB2 LYS A 81 16.227 -3.704 3.879 1.00 0.76 H new ATOM 0 HB3 LYS A 81 16.154 -5.439 4.111 1.00 0.76 H new ATOM 0 HG2 LYS A 81 16.521 -5.171 6.550 1.00 1.07 H new ATOM 0 HG3 LYS A 81 16.744 -3.444 6.359 1.00 1.07 H new ATOM 0 HD2 LYS A 81 14.277 -4.003 4.968 1.00 0.87 H new ATOM 0 HD3 LYS A 81 14.183 -4.977 6.422 1.00 0.87 H new ATOM 0 HE2 LYS A 81 13.275 -2.685 6.846 1.00 0.77 H new ATOM 0 HE3 LYS A 81 14.706 -2.958 7.821 1.00 0.77 H new ATOM 0 HZ1 LYS A 81 14.483 -0.883 6.169 1.00 0.90 H new ATOM 0 HZ2 LYS A 81 15.981 -1.605 6.511 1.00 0.90 H new ATOM 0 HZ3 LYS A 81 15.155 -2.002 5.082 1.00 0.90 H new ATOM 1300 N LYS A 82 18.658 -6.866 4.619 1.00 0.47 N ATOM 1301 CA LYS A 82 19.150 -8.141 5.181 1.00 0.67 C ATOM 1302 C LYS A 82 20.589 -8.448 4.783 1.00 0.67 C ATOM 1303 O LYS A 82 21.441 -8.754 5.586 1.00 0.94 O ATOM 1304 CB LYS A 82 18.193 -9.234 4.686 1.00 0.74 C ATOM 1305 CG LYS A 82 16.730 -8.767 4.902 1.00 0.71 C ATOM 1306 CD LYS A 82 15.726 -9.943 4.707 1.00 0.89 C ATOM 1307 CE LYS A 82 14.312 -9.357 4.705 1.00 1.34 C ATOM 1308 NZ LYS A 82 14.131 -8.624 3.418 1.00 1.50 N ATOM 0 H LYS A 82 18.179 -6.996 3.728 1.00 0.47 H new ATOM 0 HA LYS A 82 19.164 -8.084 6.269 1.00 0.67 H new ATOM 0 HB2 LYS A 82 18.370 -9.438 3.630 1.00 0.74 H new ATOM 0 HB3 LYS A 82 18.374 -10.164 5.225 1.00 0.74 H new ATOM 0 HG2 LYS A 82 16.622 -8.356 5.906 1.00 0.71 H new ATOM 0 HG3 LYS A 82 16.495 -7.965 4.202 1.00 0.71 H new ATOM 0 HD2 LYS A 82 15.925 -10.463 3.770 1.00 0.89 H new ATOM 0 HD3 LYS A 82 15.835 -10.675 5.508 1.00 0.89 H new ATOM 0 HE2 LYS A 82 13.569 -10.149 4.803 1.00 1.34 H new ATOM 0 HE3 LYS A 82 14.175 -8.684 5.552 1.00 1.34 H new ATOM 0 HZ1 LYS A 82 13.124 -8.625 3.157 1.00 1.50 H new ATOM 0 HZ2 LYS A 82 14.459 -7.643 3.528 1.00 1.50 H new ATOM 0 HZ3 LYS A 82 14.683 -9.092 2.671 1.00 1.50 H new ATOM 1322 N LYS A 83 20.790 -8.354 3.511 1.00 0.37 N ATOM 1323 CA LYS A 83 22.107 -8.601 2.879 1.00 0.35 C ATOM 1324 C LYS A 83 23.162 -7.612 3.392 1.00 0.31 C ATOM 1325 O LYS A 83 24.244 -7.979 3.796 1.00 0.41 O ATOM 1326 CB LYS A 83 21.975 -8.417 1.415 1.00 0.26 C ATOM 1327 CG LYS A 83 21.017 -9.405 0.789 1.00 0.48 C ATOM 1328 CD LYS A 83 20.654 -8.755 -0.563 1.00 0.65 C ATOM 1329 CE LYS A 83 20.731 -9.756 -1.701 1.00 1.40 C ATOM 1330 NZ LYS A 83 19.767 -10.862 -1.489 1.00 0.69 N ATOM 0 H LYS A 83 20.057 -8.103 2.847 1.00 0.37 H new ATOM 0 HA LYS A 83 22.422 -9.615 3.125 1.00 0.35 H new ATOM 0 HB2 LYS A 83 21.631 -7.403 1.209 1.00 0.26 H new ATOM 0 HB3 LYS A 83 22.955 -8.522 0.949 1.00 0.26 H new ATOM 0 HG2 LYS A 83 21.481 -10.382 0.652 1.00 0.48 H new ATOM 0 HG3 LYS A 83 20.134 -9.556 1.411 1.00 0.48 H new ATOM 0 HD2 LYS A 83 19.647 -8.340 -0.510 1.00 0.65 H new ATOM 0 HD3 LYS A 83 21.331 -7.924 -0.762 1.00 0.65 H new ATOM 0 HE2 LYS A 83 20.518 -9.257 -2.646 1.00 1.40 H new ATOM 0 HE3 LYS A 83 21.742 -10.156 -1.773 1.00 1.40 H new ATOM 0 HZ1 LYS A 83 20.286 -11.753 -1.350 1.00 0.69 H new ATOM 0 HZ2 LYS A 83 19.190 -10.663 -0.647 1.00 0.69 H new ATOM 0 HZ3 LYS A 83 19.148 -10.947 -2.321 1.00 0.69 H new ATOM 1344 N TYR A 84 22.763 -6.368 3.332 1.00 0.21 N ATOM 1345 CA TYR A 84 23.645 -5.232 3.781 1.00 0.18 C ATOM 1346 C TYR A 84 23.172 -4.531 5.051 1.00 0.09 C ATOM 1347 O TYR A 84 24.059 -4.292 5.849 1.00 0.08 O ATOM 1348 CB TYR A 84 23.793 -4.199 2.592 1.00 0.18 C ATOM 1349 CG TYR A 84 24.207 -5.108 1.461 1.00 0.14 C ATOM 1350 CD1 TYR A 84 25.488 -5.601 1.374 1.00 1.64 C ATOM 1351 CD2 TYR A 84 23.256 -5.501 0.562 1.00 1.45 C ATOM 1352 CE1 TYR A 84 25.804 -6.510 0.379 1.00 1.55 C ATOM 1353 CE2 TYR A 84 23.565 -6.396 -0.413 1.00 1.53 C ATOM 1354 CZ TYR A 84 24.836 -6.913 -0.518 1.00 0.06 C ATOM 1355 OH TYR A 84 25.113 -7.831 -1.507 1.00 0.18 O ATOM 0 H TYR A 84 21.848 -6.080 2.986 1.00 0.21 H new ATOM 0 HA TYR A 84 24.611 -5.664 4.043 1.00 0.18 H new ATOM 0 HB2 TYR A 84 22.859 -3.679 2.381 1.00 0.18 H new ATOM 0 HB3 TYR A 84 24.542 -3.436 2.801 1.00 0.18 H new ATOM 0 HD1 TYR A 84 26.242 -5.281 2.077 1.00 1.64 H new ATOM 0 HD2 TYR A 84 22.256 -5.099 0.626 1.00 1.45 H new ATOM 0 HE1 TYR A 84 26.807 -6.903 0.305 1.00 1.55 H new ATOM 0 HE2 TYR A 84 22.804 -6.705 -1.114 1.00 1.53 H new ATOM 0 HH TYR A 84 24.274 -8.170 -1.883 1.00 0.18 H new ATOM 1365 N GLY A 85 21.912 -4.189 5.280 1.00 0.09 N ATOM 1366 CA GLY A 85 21.655 -3.522 6.594 1.00 0.15 C ATOM 1367 C GLY A 85 21.231 -2.085 6.596 1.00 0.40 C ATOM 1368 O GLY A 85 22.026 -1.238 6.958 1.00 0.59 O ATOM 0 H GLY A 85 21.113 -4.332 4.662 1.00 0.09 H new ATOM 0 HA2 GLY A 85 20.886 -4.095 7.112 1.00 0.15 H new ATOM 0 HA3 GLY A 85 22.565 -3.600 7.189 1.00 0.15 H new ATOM 1372 N ILE A 86 20.021 -1.810 6.197 1.00 0.45 N ATOM 1373 CA ILE A 86 19.544 -0.439 6.203 1.00 0.68 C ATOM 1374 C ILE A 86 18.610 -0.589 7.440 1.00 0.47 C ATOM 1375 O ILE A 86 19.048 0.010 8.408 1.00 1.75 O ATOM 1376 CB ILE A 86 18.763 -0.079 4.848 1.00 0.73 C ATOM 1377 CG1 ILE A 86 17.709 0.934 5.192 1.00 0.78 C ATOM 1378 CG2 ILE A 86 18.032 -1.263 4.213 1.00 1.35 C ATOM 1379 CD1 ILE A 86 18.014 2.267 4.505 1.00 1.04 C ATOM 1380 OXT ILE A 86 17.581 -1.255 7.341 1.00 0.76 O ATOM 0 H ILE A 86 19.348 -2.501 5.866 1.00 0.45 H new ATOM 0 HA ILE A 86 20.285 0.359 6.256 1.00 0.68 H new ATOM 0 HB ILE A 86 19.512 0.271 4.137 1.00 0.73 H new ATOM 0 HG12 ILE A 86 16.730 0.571 4.880 1.00 0.78 H new ATOM 0 HG13 ILE A 86 17.668 1.074 6.272 1.00 0.78 H new ATOM 0 HG21 ILE A 86 17.530 -0.935 3.303 1.00 1.35 H new ATOM 0 HG22 ILE A 86 18.750 -2.046 3.970 1.00 1.35 H new ATOM 0 HG23 ILE A 86 17.294 -1.653 4.914 1.00 1.35 H new ATOM 0 HD11 ILE A 86 17.243 2.993 4.762 1.00 1.04 H new ATOM 0 HD12 ILE A 86 18.984 2.635 4.838 1.00 1.04 H new ATOM 0 HD13 ILE A 86 18.032 2.124 3.425 1.00 1.04 H new TER 1392 ILE A 86 HETATM 1393 N1A COA A 87 16.908 2.343 -6.230 1.00 0.35 N HETATM 1394 C2A COA A 87 17.363 1.838 -7.371 1.00 0.28 C HETATM 1395 N3A COA A 87 18.052 2.440 -8.331 1.00 0.19 N HETATM 1396 C4A COA A 87 18.280 3.731 -8.023 1.00 0.10 C HETATM 1397 C5A COA A 87 17.881 4.386 -6.899 1.00 0.20 C HETATM 1398 C6A COA A 87 17.156 3.627 -5.972 1.00 0.32 C HETATM 1399 N6A COA A 87 16.689 4.120 -4.845 1.00 0.48 N HETATM 1400 N7A COA A 87 18.319 5.705 -6.926 1.00 0.27 N HETATM 1401 C8A COA A 87 18.955 5.782 -8.055 1.00 0.25 C HETATM 1402 N9A COA A 87 18.967 4.634 -8.774 1.00 0.18 N HETATM 1403 C1B COA A 87 19.573 4.408 -10.084 1.00 0.28 C HETATM 1404 C2B COA A 87 19.657 5.669 -10.960 1.00 0.40 C HETATM 1405 O2B COA A 87 18.741 5.612 -12.066 1.00 0.57 O HETATM 1406 C3B COA A 87 21.067 5.570 -11.492 1.00 0.29 C HETATM 1407 O3B COA A 87 21.096 4.782 -12.673 1.00 0.29 O HETATM 1408 P3B COA A 87 21.074 5.339 -14.162 1.00 0.36 P HETATM 1409 O7A COA A 87 21.556 6.719 -14.099 1.00 1.48 O HETATM 1410 O8A COA A 87 19.643 5.139 -14.518 1.00 1.71 O HETATM 1411 O9A COA A 87 22.001 4.319 -14.686 1.00 1.37 O HETATM 1412 C4B COA A 87 21.784 4.832 -10.383 1.00 0.21 C HETATM 1413 O4B COA A 87 20.869 3.931 -9.790 1.00 0.30 O HETATM 1414 C5B COA A 87 22.327 5.801 -9.315 1.00 0.34 C HETATM 1415 O5B COA A 87 21.509 6.902 -8.896 1.00 0.50 O HETATM 1416 P1A COA A 87 21.328 8.406 -9.492 1.00 1.46 P HETATM 1417 O1A COA A 87 20.866 8.331 -10.885 1.00 2.45 O HETATM 1418 O2A COA A 87 20.395 9.017 -8.524 1.00 1.74 O HETATM 1419 O3A COA A 87 22.609 9.271 -9.481 1.00 1.57 O HETATM 1420 P2A COA A 87 23.436 9.114 -8.198 1.00 1.23 P HETATM 1421 O4A COA A 87 24.407 10.223 -8.145 1.00 1.49 O HETATM 1422 O5A COA A 87 22.621 8.789 -6.998 1.00 0.76 O HETATM 1423 O6A COA A 87 24.198 7.783 -8.607 1.00 2.31 O HETATM 1424 CBP COA A 87 25.505 5.904 -7.471 1.00 2.26 C HETATM 1425 CCP COA A 87 25.401 7.382 -7.955 1.00 2.60 C HETATM 1426 CDP COA A 87 25.254 4.878 -8.556 1.00 2.07 C HETATM 1427 CEP COA A 87 24.465 5.570 -6.386 1.00 1.91 C HETATM 1428 CAP COA A 87 26.988 5.775 -7.032 1.00 2.68 C HETATM 1429 OAP COA A 87 27.755 6.193 -8.187 1.00 3.20 O HETATM 1430 C9P COA A 87 27.293 4.320 -6.705 1.00 2.78 C HETATM 1431 O9P COA A 87 28.074 3.701 -7.399 1.00 3.45 O HETATM 1432 N8P COA A 87 26.691 3.762 -5.697 1.00 2.29 N HETATM 1433 C7P COA A 87 26.995 2.339 -5.372 1.00 2.53 C HETATM 1434 C6P COA A 87 28.051 2.513 -4.310 1.00 2.25 C HETATM 1435 C5P COA A 87 27.372 3.062 -3.055 1.00 1.14 C HETATM 1436 O5P COA A 87 27.016 2.370 -2.126 1.00 0.71 O HETATM 1437 N4P COA A 87 27.206 4.343 -3.131 1.00 1.21 N HETATM 1438 C3P COA A 87 26.569 5.176 -2.079 1.00 1.05 C HETATM 1439 C2P COA A 87 25.232 5.638 -2.692 1.00 1.20 C HETATM 1440 S1P COA A 87 23.786 4.679 -2.147 1.00 1.72 S HETATM 0 HO2A COA A 87 18.716 6.483 -12.515 1.00 0.57 H new HETATM 0 H62A COA A 87 16.856 5.098 -4.608 1.00 0.48 H new HETATM 0 H61A COA A 87 16.160 3.524 -4.208 1.00 0.48 H new HETATM 0 H52A COA A 87 22.567 5.213 -8.429 1.00 0.34 H new HETATM 0 H51A COA A 87 23.265 6.211 -9.689 1.00 0.34 H new HETATM 0 H143 COA A 87 24.618 6.219 -5.524 1.00 1.91 H new HETATM 0 H142 COA A 87 23.462 5.725 -6.783 1.00 1.91 H new HETATM 0 H141 COA A 87 24.578 4.529 -6.082 1.00 1.91 H new HETATM 0 H133 COA A 87 24.250 5.013 -8.959 1.00 2.07 H new HETATM 0 H132 COA A 87 25.986 5.006 -9.354 1.00 2.07 H new HETATM 0 H131 COA A 87 25.345 3.876 -8.137 1.00 2.07 H new HETATM 0 H122 COA A 87 26.231 7.571 -8.636 1.00 2.60 H new HETATM 0 H121 COA A 87 25.545 8.029 -7.090 1.00 2.60 H new HETATM 0 HO1 COA A 87 28.712 6.138 -7.982 1.00 3.20 H new HETATM 0 HN8 COA A 87 26.021 4.289 -5.137 1.00 2.29 H new HETATM 0 HN4 COA A 87 27.536 4.814 -3.973 1.00 1.21 H new HETATM 0 H8A COA A 87 19.440 6.696 -8.397 1.00 0.25 H new HETATM 0 H72 COA A 87 26.121 1.803 -5.002 1.00 2.53 H new HETATM 0 H71 COA A 87 27.365 1.787 -6.236 1.00 2.53 H new HETATM 0 H62 COA A 87 28.536 1.561 -4.095 1.00 2.25 H new HETATM 0 H61 COA A 87 28.828 3.196 -4.653 1.00 2.25 H new HETATM 0 H4B COA A 87 22.637 4.300 -10.804 1.00 0.21 H new HETATM 0 H3B COA A 87 21.502 6.537 -11.743 1.00 0.29 H new HETATM 0 H32 COA A 87 26.408 4.603 -1.166 1.00 1.05 H new HETATM 0 H31 COA A 87 27.197 6.027 -1.815 1.00 1.05 H new HETATM 0 H2B COA A 87 19.418 6.582 -10.415 1.00 0.40 H new HETATM 0 H2A COA A 87 17.140 0.785 -7.542 1.00 0.28 H new HETATM 0 H22 COA A 87 25.074 6.687 -2.440 1.00 1.20 H new HETATM 0 H21 COA A 87 25.304 5.579 -3.778 1.00 1.20 H new HETATM 0 H1B COA A 87 18.966 3.715 -10.666 1.00 0.28 H new HETATM 0 H10 COA A 87 27.218 6.371 -6.149 1.00 2.68 H new HETATM 1472 C1 PLM A 88 23.195 3.883 -3.664 1.00 1.52 C HETATM 1473 O2 PLM A 88 22.261 4.260 -4.346 1.00 2.54 O HETATM 1474 C2 PLM A 88 23.997 2.663 -4.074 1.00 0.67 C HETATM 1475 C3 PLM A 88 23.217 1.327 -4.093 1.00 0.52 C HETATM 1476 C4 PLM A 88 22.311 1.395 -5.381 1.00 0.87 C HETATM 1477 C5 PLM A 88 21.974 0.055 -5.883 1.00 0.59 C HETATM 1478 C6 PLM A 88 21.728 0.236 -7.401 1.00 1.11 C HETATM 1479 C7 PLM A 88 20.385 -0.300 -7.620 1.00 0.62 C HETATM 1480 C8 PLM A 88 20.154 -0.508 -9.103 1.00 1.76 C HETATM 1481 C9 PLM A 88 20.741 -1.903 -9.379 1.00 3.01 C HETATM 1482 CA PLM A 88 20.578 -2.538 -10.802 1.00 3.86 C HETATM 1483 CB PLM A 88 21.434 -1.787 -11.817 1.00 3.27 C HETATM 1484 CC PLM A 88 22.605 -2.639 -12.291 1.00 2.66 C HETATM 1485 CD PLM A 88 23.329 -3.086 -11.010 1.00 1.55 C HETATM 1486 CE PLM A 88 24.184 -1.999 -10.577 1.00 0.33 C HETATM 1487 CF PLM A 88 25.530 -2.079 -11.358 1.00 0.28 C HETATM 1488 CG PLM A 88 26.080 -3.463 -11.451 1.00 0.65 C HETATM 0 HG3 PLM A 88 26.260 -3.851 -10.448 1.00 0.65 H new HETATM 0 HG2 PLM A 88 25.365 -4.105 -11.965 1.00 0.65 H new HETATM 0 HG1 PLM A 88 27.017 -3.445 -12.007 1.00 0.65 H new HETATM 0 HF2 PLM A 88 25.382 -1.687 -12.364 1.00 0.28 H new HETATM 0 HF1 PLM A 88 26.263 -1.437 -10.870 1.00 0.28 H new HETATM 0 HE2 PLM A 88 23.698 -1.041 -10.759 1.00 0.33 H new HETATM 0 HE1 PLM A 88 24.365 -2.065 -9.504 1.00 0.33 H new HETATM 0 HD2 PLM A 88 22.608 -3.337 -10.232 1.00 1.55 H new HETATM 0 HD1 PLM A 88 23.919 -3.983 -11.199 1.00 1.55 H new HETATM 0 HC2 PLM A 88 22.259 -3.497 -12.867 1.00 2.66 H new HETATM 0 HC1 PLM A 88 23.270 -2.068 -12.939 1.00 2.66 H new HETATM 0 HB2 PLM A 88 20.821 -1.500 -12.671 1.00 3.27 H new HETATM 0 HB1 PLM A 88 21.809 -0.866 -11.370 1.00 3.27 H new HETATM 0 HA2 PLM A 88 20.870 -3.588 -10.775 1.00 3.86 H new HETATM 0 HA1 PLM A 88 19.531 -2.506 -11.104 1.00 3.86 H new HETATM 0 H92 PLM A 88 21.808 -1.858 -9.161 1.00 3.01 H new HETATM 0 H91 PLM A 88 20.298 -2.592 -8.660 1.00 3.01 H new HETATM 0 H82 PLM A 88 19.094 -0.465 -9.352 1.00 1.76 H new HETATM 0 H81 PLM A 88 20.652 0.259 -9.696 1.00 1.76 H new HETATM 0 H72 PLM A 88 20.269 -1.244 -7.088 1.00 0.62 H new HETATM 0 H71 PLM A 88 19.639 0.386 -7.219 1.00 0.62 H new HETATM 0 H62 PLM A 88 21.789 1.285 -7.691 1.00 1.11 H new HETATM 0 H61 PLM A 88 22.471 -0.301 -7.990 1.00 1.11 H new HETATM 0 H52 PLM A 88 22.785 -0.650 -5.697 1.00 0.59 H new HETATM 0 H51 PLM A 88 21.088 -0.340 -5.386 1.00 0.59 H new HETATM 0 H42 PLM A 88 21.394 1.939 -5.152 1.00 0.87 H new HETATM 0 H41 PLM A 88 22.828 1.956 -6.160 1.00 0.87 H new HETATM 0 H32 PLM A 88 23.896 0.475 -4.134 1.00 0.52 H new HETATM 0 H31 PLM A 88 22.613 1.211 -3.193 1.00 0.52 H new HETATM 0 H22 PLM A 88 24.408 2.838 -5.068 1.00 0.67 H new HETATM 0 H21 PLM A 88 24.842 2.560 -3.393 1.00 0.67 H new