USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 684 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 22 TYR OH : rot 180:sc= 0.405 USER MOD Set 1.2: A 102 HIS : no HE2:sc= -0.762 X(o=0.43,f=0.6) USER MOD Set 1.3: A 105 SER OG : rot -159:sc= 0.787 USER MOD Set 2.1: A 89 HIS : no HD1:sc= 0.953 K(o=2.1,f=-3.8!) USER MOD Set 2.2: A 119 THR OG1 : rot 75:sc= 1.17 USER MOD Set 3.1: A 64 MET CE :methyl -163:sc= -0.066 (180deg=-0.194) USER MOD Set 3.2: A 67 GLN : amide:sc= 1.13 K(o=1.1,f=-1.6!) USER MOD Set 4.1: A 28 HIS : no HD1:sc= 0.989 K(o=2.3,f=-4.7!) USER MOD Set 4.2: A 40 SER OG : rot -94:sc= 1.26 USER MOD Single : A 21 LYS NZ :NH3+ -163:sc= 1.24 (180deg=0.998) USER MOD Single : A 29 SER OG : rot 126:sc= 0.952 USER MOD Single : A 41 LYS NZ :NH3+ 144:sc= 1.68 (180deg=0.906) USER MOD Single : A 47 TYR OH : rot 14:sc= 1.02 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= 0.75 K(o=0.75,f=-4.6!) USER MOD Single : A 57 TYR OH : rot 180:sc= -0.188 USER MOD Single : A 59 LYS NZ :NH3+ -149:sc= 0.0111 (180deg=0) USER MOD Single : A 61 SER OG : rot 156:sc= 0.56 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 140:sc= -0.141 USER MOD Single : A 71 CYS SG : rot 90:sc= -1.9 USER MOD Single : A 73 CYS SG : rot -99:sc= 0.0516 USER MOD Single : A 91 TYR OH : rot 15:sc= 0.318 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 100:sc= 0.274 USER MOD Single : A 95 MET CE :methyl -170:sc=-0.00357 (180deg=-0.145) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.34 K(o=-0.34,f=-3.4!) USER MOD Single : A 106 THR OG1 : rot 170:sc= 0.00264 USER MOD Single : A 108 LYS NZ :NH3+ 152:sc= 1.87 (180deg=0.33) USER MOD Single : A 110 LYS NZ :NH3+ -173:sc= 1.25 (180deg=1.13) USER MOD ----------------------------------------------------------------- ATOM 46 N ALA A 4 -7.411 -8.671 15.755 1.00 0.00 N ATOM 47 CA ALA A 4 -6.790 -8.928 14.467 1.00 0.00 C ATOM 48 C ALA A 4 -5.485 -9.712 14.653 1.00 0.00 C ATOM 49 O ALA A 4 -4.998 -9.914 15.767 1.00 0.00 O ATOM 50 CB ALA A 4 -6.543 -7.592 13.754 1.00 0.00 C ATOM 0 HA ALA A 4 -7.453 -9.536 13.851 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -6.077 -7.777 12.786 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -7.492 -7.077 13.607 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -5.884 -6.972 14.362 1.00 0.00 H new ATOM 56 N ASP A 5 -4.888 -10.101 13.533 1.00 0.00 N ATOM 57 CA ASP A 5 -3.551 -10.666 13.429 1.00 0.00 C ATOM 58 C ASP A 5 -3.038 -10.220 12.066 1.00 0.00 C ATOM 59 O ASP A 5 -3.840 -10.016 11.150 1.00 0.00 O ATOM 60 CB ASP A 5 -3.590 -12.196 13.516 1.00 0.00 C ATOM 61 CG ASP A 5 -2.193 -12.786 13.272 1.00 0.00 C ATOM 62 OD1 ASP A 5 -1.424 -12.938 14.247 1.00 0.00 O ATOM 63 OD2 ASP A 5 -1.856 -13.070 12.102 1.00 0.00 O ATOM 0 H ASP A 5 -5.349 -10.026 12.626 1.00 0.00 H new ATOM 0 HA ASP A 5 -2.907 -10.330 14.242 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -3.953 -12.501 14.497 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -4.291 -12.590 12.780 1.00 0.00 H new ATOM 68 N LEU A 6 -1.727 -10.038 11.915 1.00 0.00 N ATOM 69 CA LEU A 6 -1.156 -9.442 10.717 1.00 0.00 C ATOM 70 C LEU A 6 -1.473 -10.246 9.452 1.00 0.00 C ATOM 71 O LEU A 6 -1.546 -9.657 8.372 1.00 0.00 O ATOM 72 CB LEU A 6 0.360 -9.253 10.882 1.00 0.00 C ATOM 73 CG LEU A 6 0.819 -8.447 12.118 1.00 0.00 C ATOM 74 CD1 LEU A 6 2.289 -8.049 11.961 1.00 0.00 C ATOM 75 CD2 LEU A 6 -0.027 -7.192 12.363 1.00 0.00 C ATOM 0 H LEU A 6 -1.037 -10.300 12.619 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.622 -8.465 10.590 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.825 -10.238 10.924 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.742 -8.758 9.989 1.00 0.00 H new ATOM 0 HG LEU A 6 0.689 -9.096 12.984 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.608 -7.481 12.835 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.901 -8.946 11.869 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.407 -7.436 11.067 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.345 -6.669 13.244 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.038 -6.534 11.496 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.066 -7.479 12.523 1.00 0.00 H new ATOM 87 N ALA A 7 -1.698 -11.561 9.561 1.00 0.00 N ATOM 88 CA ALA A 7 -2.092 -12.396 8.438 1.00 0.00 C ATOM 89 C ALA A 7 -3.519 -12.096 7.957 1.00 0.00 C ATOM 90 O ALA A 7 -3.825 -12.318 6.785 1.00 0.00 O ATOM 91 CB ALA A 7 -1.976 -13.873 8.829 1.00 0.00 C ATOM 0 H ALA A 7 -1.609 -12.071 10.440 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.418 -12.171 7.611 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.272 -14.497 7.986 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.945 -14.097 9.102 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.629 -14.077 9.678 1.00 0.00 H new ATOM 97 N LEU A 8 -4.401 -11.621 8.847 1.00 0.00 N ATOM 98 CA LEU A 8 -5.804 -11.356 8.526 1.00 0.00 C ATOM 99 C LEU A 8 -5.959 -10.028 7.787 1.00 0.00 C ATOM 100 O LEU A 8 -6.911 -9.872 7.021 1.00 0.00 O ATOM 101 CB LEU A 8 -6.668 -11.321 9.802 1.00 0.00 C ATOM 102 CG LEU A 8 -6.703 -12.632 10.612 1.00 0.00 C ATOM 103 CD1 LEU A 8 -7.559 -12.437 11.869 1.00 0.00 C ATOM 104 CD2 LEU A 8 -7.258 -13.810 9.802 1.00 0.00 C ATOM 0 H LEU A 8 -4.157 -11.410 9.814 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.143 -12.168 7.883 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.300 -10.524 10.448 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.688 -11.059 9.523 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.674 -12.872 10.880 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.583 -13.365 12.441 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.130 -11.644 12.482 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.574 -12.163 11.579 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.260 -14.708 10.420 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.276 -13.586 9.484 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.632 -13.975 8.925 1.00 0.00 H new ATOM 116 N ILE A 9 -5.055 -9.068 8.017 1.00 0.00 N ATOM 117 CA ILE A 9 -5.113 -7.755 7.379 1.00 0.00 C ATOM 118 C ILE A 9 -4.909 -7.967 5.868 1.00 0.00 C ATOM 119 O ILE A 9 -3.908 -8.596 5.499 1.00 0.00 O ATOM 120 CB ILE A 9 -4.044 -6.793 7.955 1.00 0.00 C ATOM 121 CG1 ILE A 9 -4.070 -6.756 9.502 1.00 0.00 C ATOM 122 CG2 ILE A 9 -4.250 -5.376 7.386 1.00 0.00 C ATOM 123 CD1 ILE A 9 -2.934 -5.945 10.127 1.00 0.00 C ATOM 0 H ILE A 9 -4.264 -9.183 8.651 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.079 -7.289 7.573 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.066 -7.168 7.654 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.022 -6.338 9.829 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.023 -7.777 9.880 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.494 -4.706 7.796 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.160 -5.403 6.300 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.242 -5.015 7.659 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.024 -5.969 11.213 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -1.976 -6.374 9.833 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.991 -4.913 9.781 1.00 0.00 H new ATOM 135 N PRO A 10 -5.798 -7.438 5.001 1.00 0.00 N ATOM 136 CA PRO A 10 -5.603 -7.430 3.556 1.00 0.00 C ATOM 137 C PRO A 10 -4.199 -6.954 3.198 1.00 0.00 C ATOM 138 O PRO A 10 -3.756 -5.913 3.690 1.00 0.00 O ATOM 139 CB PRO A 10 -6.668 -6.480 3.002 1.00 0.00 C ATOM 140 CG PRO A 10 -7.800 -6.596 4.017 1.00 0.00 C ATOM 141 CD PRO A 10 -7.047 -6.765 5.335 1.00 0.00 C ATOM 0 HA PRO A 10 -5.701 -8.429 3.131 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.297 -5.458 2.928 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.991 -6.775 2.003 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.433 -5.708 4.022 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.447 -7.448 3.807 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.857 -5.799 5.802 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.629 -7.353 6.044 1.00 0.00 H new ATOM 149 N ASP A 11 -3.493 -7.695 2.348 1.00 0.00 N ATOM 150 CA ASP A 11 -2.093 -7.401 2.042 1.00 0.00 C ATOM 151 C ASP A 11 -1.984 -6.294 0.987 1.00 0.00 C ATOM 152 O ASP A 11 -1.190 -5.362 1.116 1.00 0.00 O ATOM 153 CB ASP A 11 -1.401 -8.691 1.592 1.00 0.00 C ATOM 154 CG ASP A 11 0.099 -8.606 1.856 1.00 0.00 C ATOM 155 OD1 ASP A 11 0.485 -8.549 3.045 1.00 0.00 O ATOM 156 OD2 ASP A 11 0.897 -8.614 0.895 1.00 0.00 O ATOM 0 H ASP A 11 -3.868 -8.506 1.857 1.00 0.00 H new ATOM 0 HA ASP A 11 -1.591 -7.030 2.935 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.823 -9.543 2.124 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.582 -8.857 0.530 1.00 0.00 H new ATOM 161 N VAL A 12 -2.898 -6.314 0.014 1.00 0.00 N ATOM 162 CA VAL A 12 -3.111 -5.274 -0.985 1.00 0.00 C ATOM 163 C VAL A 12 -4.624 -5.076 -1.042 1.00 0.00 C ATOM 164 O VAL A 12 -5.373 -6.058 -1.065 1.00 0.00 O ATOM 165 CB VAL A 12 -2.549 -5.697 -2.363 1.00 0.00 C ATOM 166 CG1 VAL A 12 -2.674 -4.577 -3.409 1.00 0.00 C ATOM 167 CG2 VAL A 12 -1.081 -6.138 -2.297 1.00 0.00 C ATOM 0 H VAL A 12 -3.540 -7.098 -0.101 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.593 -4.351 -0.724 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.159 -6.548 -2.665 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.267 -4.920 -4.360 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.724 -4.315 -3.538 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.120 -3.701 -3.072 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.742 -6.423 -3.293 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.470 -5.315 -1.927 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.987 -6.990 -1.624 1.00 0.00 H new ATOM 177 N ASP A 13 -5.061 -3.820 -1.056 1.00 0.00 N ATOM 178 CA ASP A 13 -6.439 -3.425 -1.323 1.00 0.00 C ATOM 179 C ASP A 13 -6.351 -2.021 -1.900 1.00 0.00 C ATOM 180 O ASP A 13 -5.717 -1.150 -1.300 1.00 0.00 O ATOM 181 CB ASP A 13 -7.316 -3.425 -0.067 1.00 0.00 C ATOM 182 CG ASP A 13 -8.716 -2.891 -0.412 1.00 0.00 C ATOM 183 OD1 ASP A 13 -9.485 -3.614 -1.083 1.00 0.00 O ATOM 184 OD2 ASP A 13 -9.051 -1.753 -0.017 1.00 0.00 O ATOM 0 H ASP A 13 -4.447 -3.026 -0.876 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.908 -4.136 -2.003 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.391 -4.435 0.336 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.861 -2.806 0.706 1.00 0.00 H new ATOM 189 N ILE A 14 -6.903 -1.836 -3.094 1.00 0.00 N ATOM 190 CA ILE A 14 -6.790 -0.631 -3.902 1.00 0.00 C ATOM 191 C ILE A 14 -8.089 -0.497 -4.707 1.00 0.00 C ATOM 192 O ILE A 14 -8.787 -1.492 -4.927 1.00 0.00 O ATOM 193 CB ILE A 14 -5.529 -0.692 -4.816 1.00 0.00 C ATOM 194 CG1 ILE A 14 -5.499 -1.934 -5.744 1.00 0.00 C ATOM 195 CG2 ILE A 14 -4.230 -0.607 -3.989 1.00 0.00 C ATOM 196 CD1 ILE A 14 -4.237 -2.045 -6.615 1.00 0.00 C ATOM 0 H ILE A 14 -7.467 -2.557 -3.544 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.660 0.250 -3.274 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.594 0.182 -5.464 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.584 -2.832 -5.132 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.373 -1.908 -6.394 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.370 -0.652 -4.657 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.211 0.332 -3.436 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.190 -1.441 -3.288 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.299 -2.941 -7.232 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -4.159 -1.167 -7.256 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.357 -2.106 -5.975 1.00 0.00 H new ATOM 266 N PHE A 20 -3.486 7.228 -9.841 1.00 0.00 N ATOM 267 CA PHE A 20 -3.909 7.610 -8.494 1.00 0.00 C ATOM 268 C PHE A 20 -2.795 7.251 -7.507 1.00 0.00 C ATOM 269 O PHE A 20 -1.955 6.387 -7.776 1.00 0.00 O ATOM 270 CB PHE A 20 -5.215 6.886 -8.111 1.00 0.00 C ATOM 271 CG PHE A 20 -5.093 5.379 -8.222 1.00 0.00 C ATOM 272 CD1 PHE A 20 -5.229 4.760 -9.480 1.00 0.00 C ATOM 273 CD2 PHE A 20 -4.680 4.625 -7.107 1.00 0.00 C ATOM 274 CE1 PHE A 20 -4.854 3.418 -9.644 1.00 0.00 C ATOM 275 CE2 PHE A 20 -4.345 3.271 -7.264 1.00 0.00 C ATOM 276 CZ PHE A 20 -4.398 2.681 -8.538 1.00 0.00 C ATOM 0 HA PHE A 20 -4.098 8.683 -8.463 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.489 7.152 -7.090 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.022 7.231 -8.757 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -5.622 5.318 -10.317 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.621 5.088 -6.133 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.916 2.953 -10.617 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.047 2.684 -6.408 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.086 1.655 -8.668 1.00 0.00 H new ATOM 286 N LYS A 21 -2.767 7.934 -6.362 1.00 0.00 N ATOM 287 CA LYS A 21 -1.684 7.822 -5.391 1.00 0.00 C ATOM 288 C LYS A 21 -1.875 6.594 -4.507 1.00 0.00 C ATOM 289 O LYS A 21 -2.997 6.120 -4.312 1.00 0.00 O ATOM 290 CB LYS A 21 -1.619 9.119 -4.577 1.00 0.00 C ATOM 291 CG LYS A 21 -1.035 10.242 -5.453 1.00 0.00 C ATOM 292 CD LYS A 21 -1.164 11.619 -4.798 1.00 0.00 C ATOM 293 CE LYS A 21 -0.695 12.689 -5.796 1.00 0.00 C ATOM 294 NZ LYS A 21 -0.868 14.064 -5.273 1.00 0.00 N ATOM 0 H LYS A 21 -3.501 8.584 -6.083 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.732 7.686 -5.904 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.615 9.394 -4.230 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.001 8.975 -3.691 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.016 10.034 -5.652 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.546 10.251 -6.416 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.198 11.803 -4.506 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.564 11.662 -3.889 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.356 12.524 -6.035 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.254 12.584 -6.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.817 14.743 -6.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.794 14.144 -4.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.115 14.272 -4.587 1.00 0.00 H new ATOM 308 N TYR A 22 -0.772 6.099 -3.950 1.00 0.00 N ATOM 309 CA TYR A 22 -0.736 4.943 -3.070 1.00 0.00 C ATOM 310 C TYR A 22 0.344 5.186 -2.003 1.00 0.00 C ATOM 311 O TYR A 22 1.248 6.003 -2.203 1.00 0.00 O ATOM 312 CB TYR A 22 -0.498 3.660 -3.901 1.00 0.00 C ATOM 313 CG TYR A 22 0.885 3.077 -3.734 1.00 0.00 C ATOM 314 CD1 TYR A 22 1.970 3.651 -4.415 1.00 0.00 C ATOM 315 CD2 TYR A 22 1.100 2.088 -2.758 1.00 0.00 C ATOM 316 CE1 TYR A 22 3.280 3.287 -4.071 1.00 0.00 C ATOM 317 CE2 TYR A 22 2.406 1.716 -2.410 1.00 0.00 C ATOM 318 CZ TYR A 22 3.499 2.333 -3.054 1.00 0.00 C ATOM 319 OH TYR A 22 4.767 2.022 -2.689 1.00 0.00 O ATOM 0 H TYR A 22 0.149 6.508 -4.107 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.687 4.801 -2.557 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.236 2.910 -3.615 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.663 3.884 -4.955 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.797 4.371 -5.201 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.258 1.614 -2.276 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.119 3.735 -4.583 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.574 0.963 -1.655 1.00 0.00 H new ATOM 0 HH TYR A 22 4.747 1.350 -1.976 1.00 0.00 H new ATOM 329 N VAL A 23 0.279 4.464 -0.886 1.00 0.00 N ATOM 330 CA VAL A 23 1.296 4.472 0.157 1.00 0.00 C ATOM 331 C VAL A 23 1.623 3.036 0.548 1.00 0.00 C ATOM 332 O VAL A 23 0.786 2.129 0.457 1.00 0.00 O ATOM 333 CB VAL A 23 0.868 5.316 1.379 1.00 0.00 C ATOM 334 CG1 VAL A 23 0.871 6.817 1.059 1.00 0.00 C ATOM 335 CG2 VAL A 23 -0.504 4.899 1.932 1.00 0.00 C ATOM 0 H VAL A 23 -0.503 3.843 -0.679 1.00 0.00 H new ATOM 0 HA VAL A 23 2.195 4.947 -0.235 1.00 0.00 H new ATOM 0 HB VAL A 23 1.611 5.122 2.153 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.565 7.378 1.942 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.874 7.124 0.764 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.176 7.017 0.243 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.756 5.524 2.789 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.261 5.023 1.158 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.469 3.855 2.242 1.00 0.00 H new ATOM 345 N LEU A 24 2.856 2.856 1.015 1.00 0.00 N ATOM 346 CA LEU A 24 3.357 1.611 1.565 1.00 0.00 C ATOM 347 C LEU A 24 3.347 1.852 3.066 1.00 0.00 C ATOM 348 O LEU A 24 3.957 2.829 3.508 1.00 0.00 O ATOM 349 CB LEU A 24 4.790 1.389 1.042 1.00 0.00 C ATOM 350 CG LEU A 24 5.355 -0.040 1.142 1.00 0.00 C ATOM 351 CD1 LEU A 24 5.160 -0.705 2.506 1.00 0.00 C ATOM 352 CD2 LEU A 24 4.739 -0.920 0.054 1.00 0.00 C ATOM 0 H LEU A 24 3.553 3.601 1.019 1.00 0.00 H new ATOM 0 HA LEU A 24 2.774 0.731 1.294 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.820 1.693 -0.004 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.457 2.056 1.587 1.00 0.00 H new ATOM 0 HG LEU A 24 6.432 0.059 1.004 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.587 -1.707 2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.658 -0.113 3.274 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.095 -0.769 2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.143 -1.929 0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.657 -0.952 0.181 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.977 -0.507 -0.926 1.00 0.00 H new ATOM 364 N ILE A 25 2.670 1.021 3.856 1.00 0.00 N ATOM 365 CA ILE A 25 2.573 1.232 5.297 1.00 0.00 C ATOM 366 C ILE A 25 3.045 -0.033 5.991 1.00 0.00 C ATOM 367 O ILE A 25 2.517 -1.120 5.754 1.00 0.00 O ATOM 368 CB ILE A 25 1.157 1.702 5.714 1.00 0.00 C ATOM 369 CG1 ILE A 25 0.801 3.017 4.981 1.00 0.00 C ATOM 370 CG2 ILE A 25 1.064 1.878 7.240 1.00 0.00 C ATOM 371 CD1 ILE A 25 -0.484 3.700 5.458 1.00 0.00 C ATOM 0 H ILE A 25 2.179 0.193 3.520 1.00 0.00 H new ATOM 0 HA ILE A 25 3.223 2.048 5.613 1.00 0.00 H new ATOM 0 HB ILE A 25 0.436 0.937 5.426 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.630 3.715 5.097 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.708 2.807 3.915 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.060 2.208 7.508 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.276 0.927 7.729 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.790 2.623 7.565 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.646 4.612 4.884 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.329 3.026 5.315 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.393 3.949 6.515 1.00 0.00 H new ATOM 383 N ARG A 26 4.079 0.114 6.819 1.00 0.00 N ATOM 384 CA ARG A 26 4.513 -0.927 7.729 1.00 0.00 C ATOM 385 C ARG A 26 3.529 -0.933 8.886 1.00 0.00 C ATOM 386 O ARG A 26 3.078 0.122 9.325 1.00 0.00 O ATOM 387 CB ARG A 26 5.942 -0.648 8.209 1.00 0.00 C ATOM 388 CG ARG A 26 6.445 -1.744 9.169 1.00 0.00 C ATOM 389 CD ARG A 26 7.967 -1.938 9.179 1.00 0.00 C ATOM 390 NE ARG A 26 8.725 -0.679 9.303 1.00 0.00 N ATOM 391 CZ ARG A 26 10.062 -0.596 9.345 1.00 0.00 C ATOM 392 NH1 ARG A 26 10.803 -1.689 9.519 1.00 0.00 N ATOM 393 NH2 ARG A 26 10.655 0.585 9.202 1.00 0.00 N ATOM 0 H ARG A 26 4.637 0.966 6.872 1.00 0.00 H new ATOM 0 HA ARG A 26 4.530 -1.902 7.243 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.609 -0.583 7.349 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.975 0.319 8.711 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.117 -1.501 10.180 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.974 -2.689 8.899 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.235 -2.596 10.006 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.266 -2.443 8.260 1.00 0.00 H new ATOM 0 HE ARG A 26 8.194 0.190 9.361 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.354 -2.599 9.622 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.820 -1.616 9.550 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.093 1.424 9.061 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.672 0.652 9.233 1.00 0.00 H new ATOM 407 N VAL A 27 3.243 -2.121 9.382 1.00 0.00 N ATOM 408 CA VAL A 27 2.245 -2.469 10.360 1.00 0.00 C ATOM 409 C VAL A 27 2.974 -3.389 11.345 1.00 0.00 C ATOM 410 O VAL A 27 3.801 -4.204 10.930 1.00 0.00 O ATOM 411 CB VAL A 27 1.118 -3.154 9.551 1.00 0.00 C ATOM 412 CG1 VAL A 27 0.331 -4.213 10.310 1.00 0.00 C ATOM 413 CG2 VAL A 27 0.161 -2.113 8.968 1.00 0.00 C ATOM 0 H VAL A 27 3.759 -2.945 9.075 1.00 0.00 H new ATOM 0 HA VAL A 27 1.797 -1.654 10.929 1.00 0.00 H new ATOM 0 HB VAL A 27 1.634 -3.687 8.753 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.435 -4.634 9.658 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.006 -5.005 10.635 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.143 -3.760 11.181 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.624 -2.616 8.403 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.287 -1.537 9.778 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.711 -1.443 8.307 1.00 0.00 H new ATOM 423 N HIS A 28 2.675 -3.282 12.638 1.00 0.00 N ATOM 424 CA HIS A 28 3.333 -4.041 13.697 1.00 0.00 C ATOM 425 C HIS A 28 2.266 -4.728 14.546 1.00 0.00 C ATOM 426 O HIS A 28 1.150 -4.211 14.672 1.00 0.00 O ATOM 427 CB HIS A 28 4.153 -3.092 14.582 1.00 0.00 C ATOM 428 CG HIS A 28 5.189 -2.282 13.843 1.00 0.00 C ATOM 429 ND1 HIS A 28 6.381 -2.746 13.337 1.00 0.00 N ATOM 430 CD2 HIS A 28 5.140 -0.937 13.586 1.00 0.00 C ATOM 431 CE1 HIS A 28 7.042 -1.705 12.807 1.00 0.00 C ATOM 432 NE2 HIS A 28 6.323 -0.573 12.927 1.00 0.00 N ATOM 0 H HIS A 28 1.953 -2.651 12.985 1.00 0.00 H new ATOM 0 HA HIS A 28 3.998 -4.785 13.257 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.471 -2.409 15.089 1.00 0.00 H new ATOM 0 HB3 HIS A 28 4.652 -3.677 15.355 1.00 0.00 H new ATOM 0 HD2 HIS A 28 4.330 -0.272 13.846 1.00 0.00 H new ATOM 0 HE1 HIS A 28 8.017 -1.767 12.347 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.585 0.359 12.605 1.00 0.00 H new ATOM 440 N SER A 29 2.611 -5.865 15.156 1.00 0.00 N ATOM 441 CA SER A 29 1.749 -6.587 16.078 1.00 0.00 C ATOM 442 C SER A 29 1.449 -5.757 17.334 1.00 0.00 C ATOM 443 O SER A 29 2.176 -5.806 18.328 1.00 0.00 O ATOM 444 CB SER A 29 2.370 -7.929 16.467 1.00 0.00 C ATOM 445 OG SER A 29 2.649 -8.737 15.343 1.00 0.00 O ATOM 0 H SER A 29 3.516 -6.313 15.016 1.00 0.00 H new ATOM 0 HA SER A 29 0.806 -6.774 15.564 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.291 -7.753 17.023 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.692 -8.461 17.134 1.00 0.00 H new ATOM 0 HG SER A 29 3.592 -9.003 15.357 1.00 0.00 H new ATOM 451 N ALA A 30 0.363 -4.992 17.273 1.00 0.00 N ATOM 452 CA ALA A 30 -0.252 -4.302 18.392 1.00 0.00 C ATOM 453 C ALA A 30 -1.799 -4.421 18.408 1.00 0.00 C ATOM 454 O ALA A 30 -2.407 -3.583 19.074 1.00 0.00 O ATOM 455 CB ALA A 30 0.236 -2.844 18.409 1.00 0.00 C ATOM 0 H ALA A 30 -0.133 -4.831 16.396 1.00 0.00 H new ATOM 0 HA ALA A 30 0.063 -4.790 19.315 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.221 -2.317 19.247 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.321 -2.825 18.516 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.045 -2.355 17.476 1.00 0.00 H new ATOM 461 N PRO A 31 -2.495 -5.376 17.730 1.00 0.00 N ATOM 462 CA PRO A 31 -3.939 -5.539 17.913 1.00 0.00 C ATOM 463 C PRO A 31 -4.361 -5.543 19.387 1.00 0.00 C ATOM 464 O PRO A 31 -3.611 -6.012 20.252 1.00 0.00 O ATOM 465 CB PRO A 31 -4.320 -6.868 17.258 1.00 0.00 C ATOM 466 CG PRO A 31 -3.262 -7.064 16.186 1.00 0.00 C ATOM 467 CD PRO A 31 -2.032 -6.387 16.777 1.00 0.00 C ATOM 0 HA PRO A 31 -4.453 -4.692 17.458 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.314 -7.685 17.979 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.321 -6.829 16.829 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.083 -8.121 15.987 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.557 -6.607 15.241 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.395 -7.118 17.275 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.434 -5.926 15.991 1.00 0.00 H new ATOM 561 N GLU A 39 5.571 -9.225 15.725 1.00 0.00 N ATOM 562 CA GLU A 39 5.934 -9.298 14.319 1.00 0.00 C ATOM 563 C GLU A 39 5.675 -7.936 13.652 1.00 0.00 C ATOM 564 O GLU A 39 5.131 -7.010 14.268 1.00 0.00 O ATOM 565 CB GLU A 39 5.125 -10.416 13.625 1.00 0.00 C ATOM 566 CG GLU A 39 5.259 -11.810 14.279 1.00 0.00 C ATOM 567 CD GLU A 39 6.740 -12.277 14.489 1.00 0.00 C ATOM 568 OE1 GLU A 39 6.625 -12.796 13.351 1.00 0.00 O ATOM 569 OE2 GLU A 39 7.865 -12.808 14.318 1.00 0.00 O ATOM 0 HA GLU A 39 6.993 -9.536 14.224 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.072 -10.133 13.617 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.444 -10.485 12.585 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.753 -11.797 15.244 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.743 -12.542 13.658 1.00 0.00 H new ATOM 576 N SER A 40 6.021 -7.843 12.368 1.00 0.00 N ATOM 577 CA SER A 40 5.687 -6.722 11.504 1.00 0.00 C ATOM 578 C SER A 40 5.313 -7.264 10.120 1.00 0.00 C ATOM 579 O SER A 40 5.661 -8.394 9.762 1.00 0.00 O ATOM 580 CB SER A 40 6.850 -5.725 11.412 1.00 0.00 C ATOM 581 OG SER A 40 7.365 -5.363 12.686 1.00 0.00 O ATOM 0 H SER A 40 6.556 -8.569 11.891 1.00 0.00 H new ATOM 0 HA SER A 40 4.839 -6.181 11.924 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.649 -6.160 10.812 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.514 -4.828 10.892 1.00 0.00 H new ATOM 0 HG SER A 40 6.931 -4.539 12.992 1.00 0.00 H new ATOM 587 N LYS A 41 4.575 -6.461 9.360 1.00 0.00 N ATOM 588 CA LYS A 41 3.975 -6.773 8.066 1.00 0.00 C ATOM 589 C LYS A 41 3.899 -5.446 7.311 1.00 0.00 C ATOM 590 O LYS A 41 4.022 -4.382 7.917 1.00 0.00 O ATOM 591 CB LYS A 41 2.597 -7.412 8.345 1.00 0.00 C ATOM 592 CG LYS A 41 1.715 -7.823 7.149 1.00 0.00 C ATOM 593 CD LYS A 41 0.415 -7.001 7.123 1.00 0.00 C ATOM 594 CE LYS A 41 -0.505 -7.261 5.919 1.00 0.00 C ATOM 595 NZ LYS A 41 -0.968 -8.665 5.793 1.00 0.00 N ATOM 0 H LYS A 41 4.365 -5.507 9.653 1.00 0.00 H new ATOM 0 HA LYS A 41 4.538 -7.481 7.458 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.762 -8.300 8.954 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.024 -6.711 8.952 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.263 -7.675 6.219 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.478 -8.885 7.214 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.143 -7.206 8.036 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.674 -5.942 7.139 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.376 -6.610 5.995 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.023 -6.982 5.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.945 -8.678 5.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.351 -9.176 5.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.933 -9.127 6.724 1.00 0.00 H new ATOM 609 N GLU A 42 3.669 -5.471 6.005 1.00 0.00 N ATOM 610 CA GLU A 42 3.509 -4.266 5.206 1.00 0.00 C ATOM 611 C GLU A 42 2.219 -4.413 4.408 1.00 0.00 C ATOM 612 O GLU A 42 1.870 -5.528 4.007 1.00 0.00 O ATOM 613 CB GLU A 42 4.713 -4.060 4.271 1.00 0.00 C ATOM 614 CG GLU A 42 6.043 -3.721 4.967 1.00 0.00 C ATOM 615 CD GLU A 42 6.733 -4.926 5.642 1.00 0.00 C ATOM 616 OE1 GLU A 42 6.885 -5.993 5.004 1.00 0.00 O ATOM 617 OE2 GLU A 42 7.183 -4.795 6.802 1.00 0.00 O ATOM 0 H GLU A 42 3.588 -6.334 5.468 1.00 0.00 H new ATOM 0 HA GLU A 42 3.458 -3.389 5.851 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.852 -4.966 3.682 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.475 -3.259 3.572 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.725 -3.292 4.233 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.860 -2.954 5.719 1.00 0.00 H new ATOM 624 N ILE A 43 1.541 -3.296 4.152 1.00 0.00 N ATOM 625 CA ILE A 43 0.329 -3.230 3.349 1.00 0.00 C ATOM 626 C ILE A 43 0.501 -2.180 2.254 1.00 0.00 C ATOM 627 O ILE A 43 1.258 -1.215 2.405 1.00 0.00 O ATOM 628 CB ILE A 43 -0.929 -2.965 4.217 1.00 0.00 C ATOM 629 CG1 ILE A 43 -0.850 -1.701 5.102 1.00 0.00 C ATOM 630 CG2 ILE A 43 -1.238 -4.208 5.058 1.00 0.00 C ATOM 631 CD1 ILE A 43 -2.162 -1.351 5.829 1.00 0.00 C ATOM 0 H ILE A 43 1.831 -2.386 4.510 1.00 0.00 H new ATOM 0 HA ILE A 43 0.169 -4.200 2.879 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.745 -2.763 3.523 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.064 -1.840 5.844 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.556 -0.855 4.481 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.122 -4.024 5.669 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.423 -5.056 4.399 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.389 -4.429 5.705 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.018 -0.451 6.427 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.949 -1.177 5.095 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.449 -2.177 6.480 1.00 0.00 H new ATOM 643 N VAL A 44 -0.248 -2.371 1.171 1.00 0.00 N ATOM 644 CA VAL A 44 -0.287 -1.500 0.006 1.00 0.00 C ATOM 645 C VAL A 44 -1.723 -0.988 -0.058 1.00 0.00 C ATOM 646 O VAL A 44 -2.651 -1.799 -0.170 1.00 0.00 O ATOM 647 CB VAL A 44 0.089 -2.314 -1.254 1.00 0.00 C ATOM 648 CG1 VAL A 44 0.087 -1.461 -2.529 1.00 0.00 C ATOM 649 CG2 VAL A 44 1.460 -2.999 -1.143 1.00 0.00 C ATOM 0 H VAL A 44 -0.871 -3.174 1.080 1.00 0.00 H new ATOM 0 HA VAL A 44 0.418 -0.671 0.065 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.687 -3.077 -1.321 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.358 -2.082 -3.383 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.907 -1.043 -2.685 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.809 -0.651 -2.426 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.665 -3.554 -2.059 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.233 -2.245 -0.995 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.456 -3.685 -0.296 1.00 0.00 H new ATOM 659 N ARG A 45 -1.908 0.333 0.036 1.00 0.00 N ATOM 660 CA ARG A 45 -3.203 1.010 -0.070 1.00 0.00 C ATOM 661 C ARG A 45 -3.049 2.132 -1.082 1.00 0.00 C ATOM 662 O ARG A 45 -1.997 2.768 -1.119 1.00 0.00 O ATOM 663 CB ARG A 45 -3.622 1.629 1.281 1.00 0.00 C ATOM 664 CG ARG A 45 -4.003 0.647 2.397 1.00 0.00 C ATOM 665 CD ARG A 45 -5.170 -0.277 2.045 1.00 0.00 C ATOM 666 NE ARG A 45 -4.670 -1.604 1.691 1.00 0.00 N ATOM 667 CZ ARG A 45 -4.545 -2.659 2.495 1.00 0.00 C ATOM 668 NH1 ARG A 45 -5.120 -2.701 3.694 1.00 0.00 N ATOM 669 NH2 ARG A 45 -3.802 -3.672 2.081 1.00 0.00 N ATOM 0 H ARG A 45 -1.135 0.980 0.193 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.963 0.288 -0.369 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.802 2.251 1.640 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.470 2.290 1.104 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.133 0.038 2.643 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.259 1.213 3.292 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.853 -0.351 2.891 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.737 0.141 1.213 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.385 -1.737 0.721 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.676 -1.911 4.021 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -5.005 -3.524 4.286 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.345 -3.630 1.170 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.686 -4.495 2.673 1.00 0.00 H new ATOM 683 N GLY A 46 -4.085 2.421 -1.860 1.00 0.00 N ATOM 684 CA GLY A 46 -4.075 3.510 -2.820 1.00 0.00 C ATOM 685 C GLY A 46 -5.415 3.577 -3.518 1.00 0.00 C ATOM 686 O GLY A 46 -5.956 2.541 -3.913 1.00 0.00 O ATOM 0 H GLY A 46 -4.962 1.900 -1.840 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.868 4.453 -2.314 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.280 3.359 -3.550 1.00 0.00 H new ATOM 690 N TYR A 47 -5.960 4.785 -3.641 1.00 0.00 N ATOM 691 CA TYR A 47 -7.325 4.975 -4.115 1.00 0.00 C ATOM 692 C TYR A 47 -7.436 6.331 -4.793 1.00 0.00 C ATOM 693 O TYR A 47 -6.763 7.283 -4.390 1.00 0.00 O ATOM 694 CB TYR A 47 -8.305 4.932 -2.932 1.00 0.00 C ATOM 695 CG TYR A 47 -8.190 3.732 -2.006 1.00 0.00 C ATOM 696 CD1 TYR A 47 -8.937 2.564 -2.242 1.00 0.00 C ATOM 697 CD2 TYR A 47 -7.362 3.810 -0.872 1.00 0.00 C ATOM 698 CE1 TYR A 47 -8.868 1.479 -1.352 1.00 0.00 C ATOM 699 CE2 TYR A 47 -7.308 2.743 0.043 1.00 0.00 C ATOM 700 CZ TYR A 47 -8.067 1.573 -0.192 1.00 0.00 C ATOM 701 OH TYR A 47 -8.049 0.564 0.720 1.00 0.00 O ATOM 0 H TYR A 47 -5.471 5.652 -3.417 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.570 4.179 -4.819 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.166 5.836 -2.339 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.320 4.963 -3.327 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -9.569 2.501 -3.115 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -6.765 4.694 -0.703 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -9.425 0.576 -1.554 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.688 2.817 0.924 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.459 -0.236 0.331 1.00 0.00 H new ATOM 711 N LYS A 48 -8.333 6.447 -5.776 1.00 0.00 N ATOM 712 CA LYS A 48 -8.566 7.700 -6.492 1.00 0.00 C ATOM 713 C LYS A 48 -9.042 8.826 -5.562 1.00 0.00 C ATOM 714 O LYS A 48 -8.763 9.990 -5.847 1.00 0.00 O ATOM 715 CB LYS A 48 -9.504 7.435 -7.690 1.00 0.00 C ATOM 716 CG LYS A 48 -9.633 8.656 -8.623 1.00 0.00 C ATOM 717 CD LYS A 48 -9.840 8.318 -10.115 1.00 0.00 C ATOM 718 CE LYS A 48 -11.279 8.476 -10.633 1.00 0.00 C ATOM 719 NZ LYS A 48 -12.178 7.352 -10.267 1.00 0.00 N ATOM 0 H LYS A 48 -8.917 5.674 -6.096 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.621 8.069 -6.891 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.128 6.585 -8.260 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.491 7.159 -7.320 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.471 9.266 -8.285 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.735 9.266 -8.525 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.186 8.956 -10.709 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.522 7.289 -10.285 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.696 9.404 -10.241 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.255 8.571 -11.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.129 7.529 -10.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.805 6.466 -10.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.231 7.273 -9.231 1.00 0.00 H new ATOM 733 N TRP A 49 -9.713 8.513 -4.444 1.00 0.00 N ATOM 734 CA TRP A 49 -10.130 9.536 -3.486 1.00 0.00 C ATOM 735 C TRP A 49 -8.952 10.162 -2.725 1.00 0.00 C ATOM 736 O TRP A 49 -9.068 11.315 -2.303 1.00 0.00 O ATOM 737 CB TRP A 49 -11.230 9.013 -2.544 1.00 0.00 C ATOM 738 CG TRP A 49 -11.086 7.648 -1.928 1.00 0.00 C ATOM 739 CD1 TRP A 49 -11.816 6.563 -2.273 1.00 0.00 C ATOM 740 CD2 TRP A 49 -10.238 7.205 -0.820 1.00 0.00 C ATOM 741 NE1 TRP A 49 -11.493 5.496 -1.460 1.00 0.00 N ATOM 742 CE2 TRP A 49 -10.528 5.834 -0.538 1.00 0.00 C ATOM 743 CE3 TRP A 49 -9.254 7.817 -0.019 1.00 0.00 C ATOM 744 CZ2 TRP A 49 -9.871 5.117 0.475 1.00 0.00 C ATOM 745 CZ3 TRP A 49 -8.550 7.094 0.962 1.00 0.00 C ATOM 746 CH2 TRP A 49 -8.849 5.743 1.209 1.00 0.00 C ATOM 0 H TRP A 49 -9.976 7.562 -4.185 1.00 0.00 H new ATOM 0 HA TRP A 49 -10.565 10.349 -4.068 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -11.332 9.730 -1.730 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -12.168 9.025 -3.098 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.545 6.536 -3.069 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -11.917 4.571 -1.533 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -9.035 8.865 -0.161 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -10.148 4.095 0.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -7.772 7.582 1.531 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -8.298 5.191 1.956 1.00 0.00 H new ATOM 757 N ALA A 50 -7.820 9.464 -2.553 1.00 0.00 N ATOM 758 CA ALA A 50 -6.649 10.025 -1.890 1.00 0.00 C ATOM 759 C ALA A 50 -5.850 10.870 -2.884 1.00 0.00 C ATOM 760 O ALA A 50 -4.874 10.414 -3.477 1.00 0.00 O ATOM 761 CB ALA A 50 -5.803 8.940 -1.232 1.00 0.00 C ATOM 0 H ALA A 50 -7.697 8.502 -2.869 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.978 10.678 -1.082 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.939 9.396 -0.748 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.401 8.414 -0.487 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.464 8.234 -1.990 1.00 0.00 H new ATOM 767 N GLU A 51 -6.282 12.115 -3.074 1.00 0.00 N ATOM 768 CA GLU A 51 -5.610 13.093 -3.929 1.00 0.00 C ATOM 769 C GLU A 51 -4.224 13.494 -3.368 1.00 0.00 C ATOM 770 O GLU A 51 -3.421 14.104 -4.076 1.00 0.00 O ATOM 771 CB GLU A 51 -6.550 14.304 -4.080 1.00 0.00 C ATOM 772 CG GLU A 51 -6.233 15.246 -5.251 1.00 0.00 C ATOM 773 CD GLU A 51 -6.603 14.636 -6.616 1.00 0.00 C ATOM 774 OE1 GLU A 51 -5.784 13.897 -7.207 1.00 0.00 O ATOM 775 OE2 GLU A 51 -7.712 14.916 -7.128 1.00 0.00 O ATOM 0 H GLU A 51 -7.125 12.480 -2.630 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.409 12.659 -4.908 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.570 13.938 -4.197 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.523 14.880 -3.155 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.774 16.182 -5.116 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.170 15.488 -5.241 1.00 0.00 H new ATOM 782 N TYR A 52 -3.916 13.140 -2.116 1.00 0.00 N ATOM 783 CA TYR A 52 -2.655 13.401 -1.423 1.00 0.00 C ATOM 784 C TYR A 52 -2.326 12.175 -0.563 1.00 0.00 C ATOM 785 O TYR A 52 -3.234 11.442 -0.156 1.00 0.00 O ATOM 786 CB TYR A 52 -2.714 14.703 -0.602 1.00 0.00 C ATOM 787 CG TYR A 52 -4.075 15.129 -0.087 1.00 0.00 C ATOM 788 CD1 TYR A 52 -4.950 15.806 -0.954 1.00 0.00 C ATOM 789 CD2 TYR A 52 -4.459 14.875 1.241 1.00 0.00 C ATOM 790 CE1 TYR A 52 -6.223 16.205 -0.513 1.00 0.00 C ATOM 791 CE2 TYR A 52 -5.728 15.277 1.696 1.00 0.00 C ATOM 792 CZ TYR A 52 -6.620 15.938 0.819 1.00 0.00 C ATOM 793 OH TYR A 52 -7.851 16.313 1.268 1.00 0.00 O ATOM 0 H TYR A 52 -4.579 12.635 -1.528 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.855 13.556 -2.146 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.046 14.595 0.253 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.316 15.510 -1.217 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.642 16.021 -1.966 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.780 14.371 1.912 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.896 16.713 -1.188 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -6.022 15.081 2.717 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.952 16.048 2.206 1.00 0.00 H new ATOM 803 N HIS A 53 -1.044 11.913 -0.303 1.00 0.00 N ATOM 804 CA HIS A 53 -0.600 10.670 0.322 1.00 0.00 C ATOM 805 C HIS A 53 -0.948 10.670 1.803 1.00 0.00 C ATOM 806 O HIS A 53 -1.293 9.620 2.356 1.00 0.00 O ATOM 807 CB HIS A 53 0.912 10.495 0.144 1.00 0.00 C ATOM 808 CG HIS A 53 1.327 10.362 -1.297 1.00 0.00 C ATOM 809 ND1 HIS A 53 1.869 11.365 -2.108 1.00 0.00 N ATOM 810 CD2 HIS A 53 1.237 9.215 -2.021 1.00 0.00 C ATOM 811 CE1 HIS A 53 2.113 10.789 -3.294 1.00 0.00 C ATOM 812 NE2 HIS A 53 1.734 9.503 -3.267 1.00 0.00 N ATOM 0 H HIS A 53 -0.285 12.559 -0.521 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.112 9.839 -0.162 1.00 0.00 H new ATOM 0 HB2 HIS A 53 1.425 11.349 0.586 1.00 0.00 H new ATOM 0 HB3 HIS A 53 1.236 9.610 0.692 1.00 0.00 H new ATOM 0 HD2 HIS A 53 0.851 8.265 -1.682 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.551 11.288 -4.146 1.00 0.00 H new ATOM 0 HE2 HIS A 53 1.804 8.847 -4.045 1.00 0.00 H new ATOM 820 N ALA A 54 -0.926 11.846 2.436 1.00 0.00 N ATOM 821 CA ALA A 54 -1.390 12.003 3.805 1.00 0.00 C ATOM 822 C ALA A 54 -2.829 11.504 3.992 1.00 0.00 C ATOM 823 O ALA A 54 -3.163 11.072 5.094 1.00 0.00 O ATOM 824 CB ALA A 54 -1.273 13.469 4.237 1.00 0.00 C ATOM 0 H ALA A 54 -0.586 12.709 2.011 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.752 11.387 4.438 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.623 13.575 5.264 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.232 13.785 4.174 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.881 14.091 3.580 1.00 0.00 H new ATOM 830 N ASP A 55 -3.676 11.541 2.953 1.00 0.00 N ATOM 831 CA ASP A 55 -5.080 11.155 3.091 1.00 0.00 C ATOM 832 C ASP A 55 -5.203 9.665 3.398 1.00 0.00 C ATOM 833 O ASP A 55 -5.880 9.278 4.352 1.00 0.00 O ATOM 834 CB ASP A 55 -5.884 11.460 1.822 1.00 0.00 C ATOM 835 CG ASP A 55 -7.387 11.419 2.136 1.00 0.00 C ATOM 836 OD1 ASP A 55 -7.883 12.316 2.855 1.00 0.00 O ATOM 837 OD2 ASP A 55 -8.079 10.501 1.650 1.00 0.00 O ATOM 0 H ASP A 55 -3.411 11.834 2.013 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.486 11.742 3.915 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.611 12.441 1.434 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.645 10.733 1.046 1.00 0.00 H new ATOM 842 N ILE A 56 -4.502 8.830 2.618 1.00 0.00 N ATOM 843 CA ILE A 56 -4.486 7.390 2.831 1.00 0.00 C ATOM 844 C ILE A 56 -3.761 7.072 4.133 1.00 0.00 C ATOM 845 O ILE A 56 -4.263 6.245 4.883 1.00 0.00 O ATOM 846 CB ILE A 56 -3.909 6.565 1.645 1.00 0.00 C ATOM 847 CG1 ILE A 56 -2.951 7.318 0.682 1.00 0.00 C ATOM 848 CG2 ILE A 56 -5.065 5.853 0.927 1.00 0.00 C ATOM 849 CD1 ILE A 56 -2.743 6.666 -0.693 1.00 0.00 C ATOM 0 H ILE A 56 -3.936 9.139 1.828 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.528 7.078 2.899 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.233 5.829 2.079 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.336 8.327 0.531 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.980 7.416 1.168 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.672 5.271 0.093 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.573 5.188 1.626 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.771 6.593 0.552 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.058 7.274 -1.284 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.324 5.668 -0.563 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.700 6.593 -1.209 1.00 0.00 H new ATOM 861 N TYR A 57 -2.627 7.712 4.438 1.00 0.00 N ATOM 862 CA TYR A 57 -1.897 7.385 5.659 1.00 0.00 C ATOM 863 C TYR A 57 -2.773 7.670 6.891 1.00 0.00 C ATOM 864 O TYR A 57 -2.892 6.806 7.759 1.00 0.00 O ATOM 865 CB TYR A 57 -0.542 8.112 5.661 1.00 0.00 C ATOM 866 CG TYR A 57 0.480 7.776 6.746 1.00 0.00 C ATOM 867 CD1 TYR A 57 0.335 6.711 7.660 1.00 0.00 C ATOM 868 CD2 TYR A 57 1.645 8.557 6.810 1.00 0.00 C ATOM 869 CE1 TYR A 57 1.277 6.516 8.689 1.00 0.00 C ATOM 870 CE2 TYR A 57 2.595 8.369 7.827 1.00 0.00 C ATOM 871 CZ TYR A 57 2.400 7.363 8.791 1.00 0.00 C ATOM 872 OH TYR A 57 3.316 7.160 9.777 1.00 0.00 O ATOM 0 H TYR A 57 -2.205 8.444 3.867 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.670 6.320 5.700 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -0.069 7.928 4.696 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -0.743 9.182 5.719 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -0.506 6.039 7.570 1.00 0.00 H new ATOM 0 HD2 TYR A 57 1.814 9.318 6.062 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.139 5.716 9.401 1.00 0.00 H new ATOM 0 HE2 TYR A 57 3.474 8.996 7.869 1.00 0.00 H new ATOM 0 HH TYR A 57 4.028 7.830 9.705 1.00 0.00 H new ATOM 882 N ASP A 58 -3.466 8.814 6.941 1.00 0.00 N ATOM 883 CA ASP A 58 -4.351 9.150 8.058 1.00 0.00 C ATOM 884 C ASP A 58 -5.516 8.163 8.182 1.00 0.00 C ATOM 885 O ASP A 58 -5.769 7.638 9.267 1.00 0.00 O ATOM 886 CB ASP A 58 -4.893 10.576 7.908 1.00 0.00 C ATOM 887 CG ASP A 58 -5.854 10.915 9.061 1.00 0.00 C ATOM 888 OD1 ASP A 58 -5.382 11.165 10.193 1.00 0.00 O ATOM 889 OD2 ASP A 58 -7.084 10.959 8.837 1.00 0.00 O ATOM 0 H ASP A 58 -3.428 9.527 6.213 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.756 9.084 8.969 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.066 11.286 7.896 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.411 10.675 6.954 1.00 0.00 H new ATOM 894 N LYS A 59 -6.207 7.873 7.073 1.00 0.00 N ATOM 895 CA LYS A 59 -7.347 6.954 7.051 1.00 0.00 C ATOM 896 C LYS A 59 -6.921 5.547 7.456 1.00 0.00 C ATOM 897 O LYS A 59 -7.519 4.953 8.354 1.00 0.00 O ATOM 898 CB LYS A 59 -7.962 6.998 5.643 1.00 0.00 C ATOM 899 CG LYS A 59 -9.047 5.935 5.397 1.00 0.00 C ATOM 900 CD LYS A 59 -10.123 6.504 4.466 1.00 0.00 C ATOM 901 CE LYS A 59 -11.105 5.417 4.010 1.00 0.00 C ATOM 902 NZ LYS A 59 -12.163 5.962 3.123 1.00 0.00 N ATOM 0 H LYS A 59 -5.988 8.273 6.161 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.100 7.259 7.778 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.392 7.986 5.477 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.168 6.868 4.907 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.603 5.044 4.954 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.494 5.632 6.344 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.668 7.296 4.980 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.649 6.956 3.595 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.560 4.633 3.485 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.566 4.955 4.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.039 5.416 3.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.338 6.959 3.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.855 5.893 2.132 1.00 0.00 H new ATOM 916 N VAL A 60 -5.899 5.011 6.799 1.00 0.00 N ATOM 917 CA VAL A 60 -5.524 3.616 6.932 1.00 0.00 C ATOM 918 C VAL A 60 -4.921 3.392 8.307 1.00 0.00 C ATOM 919 O VAL A 60 -5.363 2.476 8.992 1.00 0.00 O ATOM 920 CB VAL A 60 -4.560 3.218 5.804 1.00 0.00 C ATOM 921 CG1 VAL A 60 -4.036 1.784 5.999 1.00 0.00 C ATOM 922 CG2 VAL A 60 -5.268 3.347 4.440 1.00 0.00 C ATOM 0 H VAL A 60 -5.307 5.538 6.157 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.404 2.979 6.840 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.705 3.893 5.831 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.356 1.531 5.185 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.506 1.716 6.949 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.874 1.087 6.001 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.579 3.063 3.644 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.138 2.691 4.418 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.588 4.378 4.292 1.00 0.00 H new ATOM 932 N SER A 61 -3.959 4.205 8.748 1.00 0.00 N ATOM 933 CA SER A 61 -3.384 4.001 10.067 1.00 0.00 C ATOM 934 C SER A 61 -4.399 4.309 11.165 1.00 0.00 C ATOM 935 O SER A 61 -4.288 3.739 12.247 1.00 0.00 O ATOM 936 CB SER A 61 -2.073 4.761 10.208 1.00 0.00 C ATOM 937 OG SER A 61 -1.177 4.202 9.262 1.00 0.00 O ATOM 0 H SER A 61 -3.574 4.990 8.223 1.00 0.00 H new ATOM 0 HA SER A 61 -3.135 2.947 10.187 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.220 5.825 10.021 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.677 4.667 11.219 1.00 0.00 H new ATOM 0 HG SER A 61 -0.486 4.860 9.037 1.00 0.00 H new ATOM 943 N GLY A 62 -5.421 5.128 10.892 1.00 0.00 N ATOM 944 CA GLY A 62 -6.549 5.294 11.791 1.00 0.00 C ATOM 945 C GLY A 62 -7.282 3.961 11.939 1.00 0.00 C ATOM 946 O GLY A 62 -7.513 3.517 13.059 1.00 0.00 O ATOM 0 H GLY A 62 -5.482 5.689 10.042 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.204 5.642 12.765 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.228 6.054 11.404 1.00 0.00 H new ATOM 950 N ASP A 63 -7.598 3.281 10.831 1.00 0.00 N ATOM 951 CA ASP A 63 -8.226 1.961 10.867 1.00 0.00 C ATOM 952 C ASP A 63 -7.333 0.926 11.548 1.00 0.00 C ATOM 953 O ASP A 63 -7.801 0.211 12.433 1.00 0.00 O ATOM 954 CB ASP A 63 -8.623 1.477 9.471 1.00 0.00 C ATOM 955 CG ASP A 63 -9.405 0.158 9.584 1.00 0.00 C ATOM 956 OD1 ASP A 63 -10.651 0.209 9.701 1.00 0.00 O ATOM 957 OD2 ASP A 63 -8.784 -0.926 9.547 1.00 0.00 O ATOM 0 H ASP A 63 -7.425 3.631 9.889 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.135 2.071 11.459 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.233 2.231 8.974 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.733 1.332 8.859 1.00 0.00 H new ATOM 962 N MET A 64 -6.040 0.887 11.209 1.00 0.00 N ATOM 963 CA MET A 64 -5.085 -0.010 11.850 1.00 0.00 C ATOM 964 C MET A 64 -5.081 0.206 13.359 1.00 0.00 C ATOM 965 O MET A 64 -5.215 -0.761 14.103 1.00 0.00 O ATOM 966 CB MET A 64 -3.673 0.188 11.285 1.00 0.00 C ATOM 967 CG MET A 64 -3.511 -0.219 9.815 1.00 0.00 C ATOM 968 SD MET A 64 -3.757 -1.983 9.486 1.00 0.00 S ATOM 969 CE MET A 64 -5.450 -1.906 8.854 1.00 0.00 C ATOM 0 H MET A 64 -5.631 1.477 10.484 1.00 0.00 H new ATOM 0 HA MET A 64 -5.395 -1.034 11.640 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.397 1.237 11.390 1.00 0.00 H new ATOM 0 HB3 MET A 64 -2.971 -0.388 11.887 1.00 0.00 H new ATOM 0 HG2 MET A 64 -4.220 0.351 9.214 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.512 0.063 9.482 1.00 0.00 H new ATOM 0 HE1 MET A 64 -5.893 -2.902 8.877 1.00 0.00 H new ATOM 0 HE2 MET A 64 -6.040 -1.232 9.475 1.00 0.00 H new ATOM 0 HE3 MET A 64 -5.439 -1.537 7.828 1.00 0.00 H new ATOM 979 N GLN A 65 -4.999 1.451 13.829 1.00 0.00 N ATOM 980 CA GLN A 65 -4.985 1.758 15.248 1.00 0.00 C ATOM 981 C GLN A 65 -6.342 1.492 15.907 1.00 0.00 C ATOM 982 O GLN A 65 -6.374 1.159 17.091 1.00 0.00 O ATOM 983 CB GLN A 65 -4.544 3.213 15.446 1.00 0.00 C ATOM 984 CG GLN A 65 -3.026 3.379 15.248 1.00 0.00 C ATOM 985 CD GLN A 65 -2.557 4.832 15.372 1.00 0.00 C ATOM 986 OE1 GLN A 65 -3.156 5.658 16.058 1.00 0.00 O ATOM 987 NE2 GLN A 65 -1.459 5.181 14.719 1.00 0.00 N ATOM 0 H GLN A 65 -4.940 2.274 13.229 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.271 1.096 15.739 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.075 3.853 14.742 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.819 3.544 16.448 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.501 2.770 15.985 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.750 2.998 14.265 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -0.964 4.494 14.150 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.109 6.137 14.785 1.00 0.00 H new ATOM 996 N LYS A 66 -7.457 1.576 15.171 1.00 0.00 N ATOM 997 CA LYS A 66 -8.757 1.130 15.671 1.00 0.00 C ATOM 998 C LYS A 66 -8.758 -0.392 15.864 1.00 0.00 C ATOM 999 O LYS A 66 -9.333 -0.852 16.851 1.00 0.00 O ATOM 1000 CB LYS A 66 -9.898 1.630 14.763 1.00 0.00 C ATOM 1001 CG LYS A 66 -10.205 3.117 15.034 1.00 0.00 C ATOM 1002 CD LYS A 66 -11.314 3.712 14.150 1.00 0.00 C ATOM 1003 CE LYS A 66 -10.898 3.885 12.679 1.00 0.00 C ATOM 1004 NZ LYS A 66 -11.959 4.539 11.870 1.00 0.00 N ATOM 0 H LYS A 66 -7.481 1.951 14.223 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.937 1.572 16.651 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.621 1.496 13.717 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.793 1.032 14.935 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -10.491 3.231 16.080 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.293 3.695 14.889 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -12.191 3.067 14.198 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.608 4.681 14.553 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -9.986 4.480 12.628 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.666 2.910 12.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.636 4.635 10.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.822 3.959 11.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.163 5.481 12.261 1.00 0.00 H new ATOM 1018 N GLN A 67 -8.094 -1.179 15.001 1.00 0.00 N ATOM 1019 CA GLN A 67 -7.878 -2.608 15.269 1.00 0.00 C ATOM 1020 C GLN A 67 -6.865 -2.794 16.422 1.00 0.00 C ATOM 1021 O GLN A 67 -6.940 -3.760 17.186 1.00 0.00 O ATOM 1022 CB GLN A 67 -7.414 -3.342 13.994 1.00 0.00 C ATOM 1023 CG GLN A 67 -8.422 -3.243 12.831 1.00 0.00 C ATOM 1024 CD GLN A 67 -7.985 -4.044 11.600 1.00 0.00 C ATOM 1025 OE1 GLN A 67 -7.604 -5.207 11.693 1.00 0.00 O ATOM 1026 NE2 GLN A 67 -8.038 -3.472 10.408 1.00 0.00 N ATOM 0 H GLN A 67 -7.701 -0.852 14.119 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.826 -3.049 15.577 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -6.458 -2.929 13.673 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -7.244 -4.393 14.230 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -9.395 -3.603 13.167 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.548 -2.197 12.553 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.353 -2.506 10.319 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -7.764 -3.997 9.578 1.00 0.00 H new ATOM 1035 N GLY A 68 -5.920 -1.861 16.556 1.00 0.00 N ATOM 1036 CA GLY A 68 -4.921 -1.750 17.615 1.00 0.00 C ATOM 1037 C GLY A 68 -3.511 -1.575 17.037 1.00 0.00 C ATOM 1038 O GLY A 68 -2.650 -0.982 17.687 1.00 0.00 O ATOM 0 H GLY A 68 -5.828 -1.108 15.874 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.161 -0.902 18.256 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.951 -2.642 18.241 1.00 0.00 H new ATOM 1042 N CYS A 69 -3.292 -2.077 15.816 1.00 0.00 N ATOM 1043 CA CYS A 69 -2.016 -2.114 15.115 1.00 0.00 C ATOM 1044 C CYS A 69 -1.341 -0.743 15.089 1.00 0.00 C ATOM 1045 O CYS A 69 -1.996 0.281 14.888 1.00 0.00 O ATOM 1046 CB CYS A 69 -2.252 -2.607 13.685 1.00 0.00 C ATOM 1047 SG CYS A 69 -2.773 -4.342 13.703 1.00 0.00 S ATOM 0 H CYS A 69 -4.046 -2.489 15.266 1.00 0.00 H new ATOM 0 HA CYS A 69 -1.350 -2.793 15.647 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -3.014 -1.995 13.202 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.339 -2.499 13.100 1.00 0.00 H new ATOM 0 HG CYS A 69 -3.708 -4.524 12.818 1.00 0.00 H new ATOM 1053 N ASP A 70 -0.017 -0.746 15.222 1.00 0.00 N ATOM 1054 CA ASP A 70 0.817 0.450 15.145 1.00 0.00 C ATOM 1055 C ASP A 70 1.463 0.465 13.763 1.00 0.00 C ATOM 1056 O ASP A 70 1.760 -0.609 13.227 1.00 0.00 O ATOM 1057 CB ASP A 70 1.863 0.413 16.260 1.00 0.00 C ATOM 1058 CG ASP A 70 2.818 1.613 16.160 1.00 0.00 C ATOM 1059 OD1 ASP A 70 2.338 2.768 16.132 1.00 0.00 O ATOM 1060 OD2 ASP A 70 4.051 1.406 16.126 1.00 0.00 O ATOM 0 H ASP A 70 0.517 -1.599 15.390 1.00 0.00 H new ATOM 0 HA ASP A 70 0.232 1.360 15.280 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.366 0.419 17.230 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.432 -0.515 16.199 1.00 0.00 H new ATOM 1065 N CYS A 71 1.686 1.651 13.187 1.00 0.00 N ATOM 1066 CA CYS A 71 2.063 1.790 11.785 1.00 0.00 C ATOM 1067 C CYS A 71 3.068 2.909 11.518 1.00 0.00 C ATOM 1068 O CYS A 71 3.196 3.839 12.317 1.00 0.00 O ATOM 1069 CB CYS A 71 0.796 2.139 10.990 1.00 0.00 C ATOM 1070 SG CYS A 71 -0.475 0.873 11.160 1.00 0.00 S ATOM 0 H CYS A 71 1.609 2.539 13.683 1.00 0.00 H new ATOM 0 HA CYS A 71 2.527 0.848 11.492 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.404 3.096 11.334 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.050 2.259 9.937 1.00 0.00 H new ATOM 0 HG CYS A 71 -1.232 1.152 12.179 1.00 0.00 H new ATOM 1076 N GLU A 72 3.705 2.865 10.343 1.00 0.00 N ATOM 1077 CA GLU A 72 4.528 3.933 9.799 1.00 0.00 C ATOM 1078 C GLU A 72 4.433 3.823 8.272 1.00 0.00 C ATOM 1079 O GLU A 72 4.630 2.723 7.748 1.00 0.00 O ATOM 1080 CB GLU A 72 5.966 3.746 10.315 1.00 0.00 C ATOM 1081 CG GLU A 72 6.951 4.702 9.638 1.00 0.00 C ATOM 1082 CD GLU A 72 8.305 4.780 10.367 1.00 0.00 C ATOM 1083 OE1 GLU A 72 8.937 3.729 10.619 1.00 0.00 O ATOM 1084 OE2 GLU A 72 8.767 5.904 10.671 1.00 0.00 O ATOM 0 H GLU A 72 3.655 2.053 9.728 1.00 0.00 H new ATOM 0 HA GLU A 72 4.200 4.926 10.105 1.00 0.00 H new ATOM 0 HB2 GLU A 72 5.988 3.908 11.393 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.282 2.718 10.141 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.115 4.379 8.610 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.510 5.698 9.592 1.00 0.00 H new ATOM 1091 N CYS A 73 4.120 4.902 7.534 1.00 0.00 N ATOM 1092 CA CYS A 73 4.254 4.829 6.080 1.00 0.00 C ATOM 1093 C CYS A 73 5.762 4.698 5.778 1.00 0.00 C ATOM 1094 O CYS A 73 6.570 5.451 6.330 1.00 0.00 O ATOM 1095 CB CYS A 73 3.540 5.956 5.306 1.00 0.00 C ATOM 1096 SG CYS A 73 4.479 7.500 5.298 1.00 0.00 S ATOM 0 H CYS A 73 3.788 5.793 7.903 1.00 0.00 H new ATOM 0 HA CYS A 73 3.723 3.954 5.706 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.369 5.634 4.279 1.00 0.00 H new ATOM 0 HB3 CYS A 73 2.561 6.133 5.751 1.00 0.00 H new ATOM 0 HG CYS A 73 4.003 8.302 6.203 1.00 0.00 H new ATOM 1102 N LEU A 74 6.173 3.752 4.929 1.00 0.00 N ATOM 1103 CA LEU A 74 7.554 3.698 4.452 1.00 0.00 C ATOM 1104 C LEU A 74 7.798 4.799 3.412 1.00 0.00 C ATOM 1105 O LEU A 74 8.943 5.189 3.187 1.00 0.00 O ATOM 1106 CB LEU A 74 7.891 2.315 3.868 1.00 0.00 C ATOM 1107 CG LEU A 74 7.825 1.137 4.861 1.00 0.00 C ATOM 1108 CD1 LEU A 74 8.401 -0.121 4.199 1.00 0.00 C ATOM 1109 CD2 LEU A 74 8.587 1.401 6.166 1.00 0.00 C ATOM 0 H LEU A 74 5.570 3.016 4.560 1.00 0.00 H new ATOM 0 HA LEU A 74 8.214 3.866 5.303 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.206 2.112 3.045 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.895 2.354 3.445 1.00 0.00 H new ATOM 0 HG LEU A 74 6.774 1.004 5.119 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.355 -0.955 4.900 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.820 -0.363 3.309 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.438 0.059 3.917 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.500 0.533 6.820 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.638 1.584 5.943 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.165 2.274 6.664 1.00 0.00 H new ATOM 1121 N GLY A 75 6.731 5.303 2.786 1.00 0.00 N ATOM 1122 CA GLY A 75 6.744 6.400 1.836 1.00 0.00 C ATOM 1123 C GLY A 75 5.441 6.377 1.047 1.00 0.00 C ATOM 1124 O GLY A 75 4.516 5.623 1.378 1.00 0.00 O ATOM 0 H GLY A 75 5.793 4.934 2.941 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.853 7.351 2.358 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.596 6.307 1.162 1.00 0.00 H new ATOM 1128 N GLY A 76 5.387 7.162 -0.025 1.00 0.00 N ATOM 1129 CA GLY A 76 4.284 7.158 -0.971 1.00 0.00 C ATOM 1130 C GLY A 76 4.803 7.123 -2.400 1.00 0.00 C ATOM 1131 O GLY A 76 6.007 7.241 -2.640 1.00 0.00 O ATOM 0 H GLY A 76 6.122 7.828 -0.261 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.645 6.294 -0.789 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.669 8.046 -0.824 1.00 0.00 H new ATOM 1135 N GLY A 77 3.878 6.967 -3.340 1.00 0.00 N ATOM 1136 CA GLY A 77 4.119 6.932 -4.772 1.00 0.00 C ATOM 1137 C GLY A 77 2.770 6.948 -5.479 1.00 0.00 C ATOM 1138 O GLY A 77 1.746 7.258 -4.862 1.00 0.00 O ATOM 0 H GLY A 77 2.891 6.856 -3.109 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.719 7.789 -5.078 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.680 6.037 -5.042 1.00 0.00 H new ATOM 1142 N ARG A 78 2.710 6.603 -6.758 1.00 0.00 N ATOM 1143 CA ARG A 78 1.442 6.450 -7.454 1.00 0.00 C ATOM 1144 C ARG A 78 1.477 5.187 -8.284 1.00 0.00 C ATOM 1145 O ARG A 78 2.553 4.700 -8.645 1.00 0.00 O ATOM 1146 CB ARG A 78 1.080 7.734 -8.223 1.00 0.00 C ATOM 1147 CG ARG A 78 1.750 7.962 -9.587 1.00 0.00 C ATOM 1148 CD ARG A 78 1.317 9.359 -10.058 1.00 0.00 C ATOM 1149 NE ARG A 78 1.633 9.635 -11.468 1.00 0.00 N ATOM 1150 CZ ARG A 78 1.534 10.843 -12.044 1.00 0.00 C ATOM 1151 NH1 ARG A 78 1.213 11.917 -11.322 1.00 0.00 N ATOM 1152 NH2 ARG A 78 1.734 10.981 -13.350 1.00 0.00 N ATOM 0 H ARG A 78 3.531 6.423 -7.337 1.00 0.00 H new ATOM 0 HA ARG A 78 0.623 6.321 -6.746 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.001 7.741 -8.374 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.319 8.585 -7.586 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.835 7.901 -9.501 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.443 7.199 -10.302 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.243 9.466 -9.909 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.802 10.109 -9.433 1.00 0.00 H new ATOM 0 HE ARG A 78 1.948 8.856 -12.046 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.040 11.825 -10.321 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.141 12.830 -11.771 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.964 10.167 -13.920 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.658 11.901 -13.783 1.00 0.00 H new ATOM 1166 N ILE A 79 0.290 4.653 -8.536 1.00 0.00 N ATOM 1167 CA ILE A 79 0.087 3.467 -9.336 1.00 0.00 C ATOM 1168 C ILE A 79 -0.586 3.978 -10.604 1.00 0.00 C ATOM 1169 O ILE A 79 -1.527 4.778 -10.544 1.00 0.00 O ATOM 1170 CB ILE A 79 -0.747 2.416 -8.563 1.00 0.00 C ATOM 1171 CG1 ILE A 79 0.030 1.900 -7.328 1.00 0.00 C ATOM 1172 CG2 ILE A 79 -1.125 1.233 -9.476 1.00 0.00 C ATOM 1173 CD1 ILE A 79 -0.787 0.998 -6.391 1.00 0.00 C ATOM 0 H ILE A 79 -0.579 5.049 -8.177 1.00 0.00 H new ATOM 0 HA ILE A 79 1.011 2.942 -9.579 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.662 2.902 -8.225 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.906 1.348 -7.670 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.395 2.756 -6.760 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.710 0.509 -8.909 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.714 1.597 -10.318 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.218 0.756 -9.847 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.164 0.683 -5.554 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.648 1.550 -6.015 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.129 0.120 -6.939 1.00 0.00 H new ATOM 1333 N HIS A 89 2.269 -0.305 -13.006 1.00 0.00 N ATOM 1334 CA HIS A 89 3.523 0.376 -12.741 1.00 0.00 C ATOM 1335 C HIS A 89 3.399 1.211 -11.474 1.00 0.00 C ATOM 1336 O HIS A 89 2.339 1.779 -11.201 1.00 0.00 O ATOM 1337 CB HIS A 89 3.925 1.220 -13.956 1.00 0.00 C ATOM 1338 CG HIS A 89 5.407 1.483 -13.996 1.00 0.00 C ATOM 1339 ND1 HIS A 89 6.382 0.554 -14.289 1.00 0.00 N ATOM 1340 CD2 HIS A 89 6.041 2.672 -13.751 1.00 0.00 C ATOM 1341 CE1 HIS A 89 7.572 1.173 -14.236 1.00 0.00 C ATOM 1342 NE2 HIS A 89 7.418 2.468 -13.904 1.00 0.00 N ATOM 0 HA HIS A 89 4.315 -0.354 -12.575 1.00 0.00 H new ATOM 0 HB2 HIS A 89 3.623 0.707 -14.869 1.00 0.00 H new ATOM 0 HB3 HIS A 89 3.389 2.169 -13.931 1.00 0.00 H new ATOM 0 HD2 HIS A 89 5.563 3.604 -13.486 1.00 0.00 H new ATOM 0 HE1 HIS A 89 8.522 0.698 -14.433 1.00 0.00 H new ATOM 0 HE2 HIS A 89 8.156 3.162 -13.787 1.00 0.00 H new ATOM 1350 N VAL A 90 4.487 1.295 -10.710 1.00 0.00 N ATOM 1351 CA VAL A 90 4.530 1.920 -9.395 1.00 0.00 C ATOM 1352 C VAL A 90 5.774 2.810 -9.377 1.00 0.00 C ATOM 1353 O VAL A 90 6.844 2.367 -9.792 1.00 0.00 O ATOM 1354 CB VAL A 90 4.584 0.834 -8.300 1.00 0.00 C ATOM 1355 CG1 VAL A 90 4.251 1.470 -6.945 1.00 0.00 C ATOM 1356 CG2 VAL A 90 3.613 -0.341 -8.528 1.00 0.00 C ATOM 0 H VAL A 90 5.389 0.918 -11.001 1.00 0.00 H new ATOM 0 HA VAL A 90 3.641 2.519 -9.198 1.00 0.00 H new ATOM 0 HB VAL A 90 5.594 0.426 -8.330 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.287 0.708 -6.167 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.977 2.252 -6.722 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.251 1.903 -6.982 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.714 -1.059 -7.714 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.590 0.033 -8.557 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.848 -0.829 -9.474 1.00 0.00 H new ATOM 1366 N TYR A 91 5.647 4.072 -8.965 1.00 0.00 N ATOM 1367 CA TYR A 91 6.706 5.069 -9.119 1.00 0.00 C ATOM 1368 C TYR A 91 6.343 6.349 -8.360 1.00 0.00 C ATOM 1369 O TYR A 91 5.300 6.403 -7.709 1.00 0.00 O ATOM 1370 CB TYR A 91 6.907 5.372 -10.621 1.00 0.00 C ATOM 1371 CG TYR A 91 5.732 6.007 -11.352 1.00 0.00 C ATOM 1372 CD1 TYR A 91 4.504 5.333 -11.498 1.00 0.00 C ATOM 1373 CD2 TYR A 91 5.889 7.276 -11.936 1.00 0.00 C ATOM 1374 CE1 TYR A 91 3.448 5.923 -12.201 1.00 0.00 C ATOM 1375 CE2 TYR A 91 4.859 7.847 -12.702 1.00 0.00 C ATOM 1376 CZ TYR A 91 3.630 7.166 -12.842 1.00 0.00 C ATOM 1377 OH TYR A 91 2.628 7.690 -13.604 1.00 0.00 O ATOM 0 H TYR A 91 4.806 4.432 -8.515 1.00 0.00 H new ATOM 0 HA TYR A 91 7.635 4.678 -8.704 1.00 0.00 H new ATOM 0 HB2 TYR A 91 7.768 6.032 -10.723 1.00 0.00 H new ATOM 0 HB3 TYR A 91 7.158 4.439 -11.126 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.376 4.352 -11.064 1.00 0.00 H new ATOM 0 HD2 TYR A 91 6.812 7.818 -11.794 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.491 5.425 -12.253 1.00 0.00 H new ATOM 0 HE2 TYR A 91 5.007 8.803 -13.182 1.00 0.00 H new ATOM 0 HH TYR A 91 1.791 7.217 -13.414 1.00 0.00 H new ATOM 1387 N GLY A 92 7.164 7.398 -8.473 1.00 0.00 N ATOM 1388 CA GLY A 92 6.876 8.706 -7.895 1.00 0.00 C ATOM 1389 C GLY A 92 7.324 8.784 -6.437 1.00 0.00 C ATOM 1390 O GLY A 92 8.092 7.938 -5.970 1.00 0.00 O ATOM 0 H GLY A 92 8.052 7.359 -8.973 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.380 9.480 -8.474 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.806 8.906 -7.959 1.00 0.00 H new ATOM 1394 N TYR A 93 6.868 9.819 -5.725 1.00 0.00 N ATOM 1395 CA TYR A 93 7.130 9.991 -4.303 1.00 0.00 C ATOM 1396 C TYR A 93 6.090 10.897 -3.644 1.00 0.00 C ATOM 1397 O TYR A 93 5.399 11.659 -4.326 1.00 0.00 O ATOM 1398 CB TYR A 93 8.543 10.564 -4.080 1.00 0.00 C ATOM 1399 CG TYR A 93 8.930 11.876 -4.751 1.00 0.00 C ATOM 1400 CD1 TYR A 93 8.414 13.101 -4.286 1.00 0.00 C ATOM 1401 CD2 TYR A 93 9.932 11.883 -5.743 1.00 0.00 C ATOM 1402 CE1 TYR A 93 8.925 14.321 -4.759 1.00 0.00 C ATOM 1403 CE2 TYR A 93 10.454 13.100 -6.220 1.00 0.00 C ATOM 1404 CZ TYR A 93 9.975 14.326 -5.702 1.00 0.00 C ATOM 1405 OH TYR A 93 10.543 15.511 -6.064 1.00 0.00 O ATOM 0 H TYR A 93 6.302 10.565 -6.129 1.00 0.00 H new ATOM 0 HA TYR A 93 7.064 9.008 -3.837 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.679 10.693 -3.006 1.00 0.00 H new ATOM 0 HB3 TYR A 93 9.258 9.807 -4.403 1.00 0.00 H new ATOM 0 HD1 TYR A 93 7.617 13.103 -3.558 1.00 0.00 H new ATOM 0 HD2 TYR A 93 10.301 10.949 -6.139 1.00 0.00 H new ATOM 0 HE1 TYR A 93 8.515 15.254 -4.401 1.00 0.00 H new ATOM 0 HE2 TYR A 93 11.220 13.098 -6.981 1.00 0.00 H new ATOM 0 HH TYR A 93 11.252 15.347 -6.720 1.00 0.00 H new ATOM 1415 N SER A 94 5.996 10.812 -2.317 1.00 0.00 N ATOM 1416 CA SER A 94 5.256 11.756 -1.488 1.00 0.00 C ATOM 1417 C SER A 94 6.237 12.886 -1.157 1.00 0.00 C ATOM 1418 O SER A 94 7.448 12.644 -1.117 1.00 0.00 O ATOM 1419 CB SER A 94 4.783 11.032 -0.222 1.00 0.00 C ATOM 1420 OG SER A 94 4.527 11.919 0.840 1.00 0.00 O ATOM 0 H SER A 94 6.442 10.069 -1.780 1.00 0.00 H new ATOM 0 HA SER A 94 4.374 12.158 -1.986 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.878 10.468 -0.446 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.540 10.311 0.085 1.00 0.00 H new ATOM 0 HG SER A 94 3.563 12.084 0.903 1.00 0.00 H new ATOM 1426 N MET A 95 5.756 14.099 -0.872 1.00 0.00 N ATOM 1427 CA MET A 95 6.644 15.165 -0.417 1.00 0.00 C ATOM 1428 C MET A 95 6.711 15.188 1.110 1.00 0.00 C ATOM 1429 O MET A 95 7.773 15.497 1.654 1.00 0.00 O ATOM 1430 CB MET A 95 6.255 16.527 -1.005 1.00 0.00 C ATOM 1431 CG MET A 95 4.897 17.044 -0.525 1.00 0.00 C ATOM 1432 SD MET A 95 4.409 18.654 -1.223 1.00 0.00 S ATOM 1433 CE MET A 95 5.655 19.752 -0.490 1.00 0.00 C ATOM 0 H MET A 95 4.773 14.362 -0.947 1.00 0.00 H new ATOM 0 HA MET A 95 7.646 14.953 -0.789 1.00 0.00 H new ATOM 0 HB2 MET A 95 7.023 17.256 -0.746 1.00 0.00 H new ATOM 0 HB3 MET A 95 6.241 16.452 -2.092 1.00 0.00 H new ATOM 0 HG2 MET A 95 4.133 16.308 -0.776 1.00 0.00 H new ATOM 0 HG3 MET A 95 4.917 17.125 0.562 1.00 0.00 H new ATOM 0 HE1 MET A 95 5.382 20.790 -0.680 1.00 0.00 H new ATOM 0 HE2 MET A 95 5.703 19.581 0.585 1.00 0.00 H new ATOM 0 HE3 MET A 95 6.629 19.545 -0.934 1.00 0.00 H new ATOM 1443 N ALA A 96 5.629 14.830 1.814 1.00 0.00 N ATOM 1444 CA ALA A 96 5.665 14.734 3.268 1.00 0.00 C ATOM 1445 C ALA A 96 6.425 13.487 3.739 1.00 0.00 C ATOM 1446 O ALA A 96 6.957 13.502 4.853 1.00 0.00 O ATOM 1447 CB ALA A 96 4.242 14.728 3.831 1.00 0.00 C ATOM 0 H ALA A 96 4.726 14.604 1.397 1.00 0.00 H new ATOM 0 HA ALA A 96 6.199 15.607 3.643 1.00 0.00 H new ATOM 0 HB1 ALA A 96 4.281 14.656 4.918 1.00 0.00 H new ATOM 0 HB2 ALA A 96 3.734 15.650 3.546 1.00 0.00 H new ATOM 0 HB3 ALA A 96 3.696 13.874 3.430 1.00 0.00 H new ATOM 1453 N TYR A 97 6.514 12.438 2.909 1.00 0.00 N ATOM 1454 CA TYR A 97 7.008 11.129 3.333 1.00 0.00 C ATOM 1455 C TYR A 97 8.026 10.481 2.382 1.00 0.00 C ATOM 1456 O TYR A 97 8.589 9.441 2.728 1.00 0.00 O ATOM 1457 CB TYR A 97 5.800 10.205 3.539 1.00 0.00 C ATOM 1458 CG TYR A 97 4.695 10.771 4.423 1.00 0.00 C ATOM 1459 CD1 TYR A 97 4.887 10.872 5.815 1.00 0.00 C ATOM 1460 CD2 TYR A 97 3.477 11.202 3.860 1.00 0.00 C ATOM 1461 CE1 TYR A 97 3.869 11.387 6.638 1.00 0.00 C ATOM 1462 CE2 TYR A 97 2.441 11.680 4.678 1.00 0.00 C ATOM 1463 CZ TYR A 97 2.636 11.786 6.075 1.00 0.00 C ATOM 1464 OH TYR A 97 1.643 12.246 6.889 1.00 0.00 O ATOM 0 H TYR A 97 6.245 12.478 1.926 1.00 0.00 H new ATOM 0 HA TYR A 97 7.561 11.283 4.260 1.00 0.00 H new ATOM 0 HB2 TYR A 97 5.376 9.964 2.564 1.00 0.00 H new ATOM 0 HB3 TYR A 97 6.149 9.269 3.975 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.821 10.552 6.253 1.00 0.00 H new ATOM 0 HD2 TYR A 97 3.339 11.164 2.789 1.00 0.00 H new ATOM 0 HE1 TYR A 97 4.030 11.478 7.702 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.496 11.967 4.241 1.00 0.00 H new ATOM 0 HH TYR A 97 0.860 12.481 6.349 1.00 0.00 H new ATOM 1474 N GLY A 98 8.312 11.078 1.221 1.00 0.00 N ATOM 1475 CA GLY A 98 9.339 10.587 0.303 1.00 0.00 C ATOM 1476 C GLY A 98 8.884 9.371 -0.516 1.00 0.00 C ATOM 1477 O GLY A 98 7.718 8.965 -0.435 1.00 0.00 O ATOM 0 H GLY A 98 7.835 11.918 0.892 1.00 0.00 H new ATOM 0 HA2 GLY A 98 9.623 11.390 -0.377 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.230 10.321 0.872 1.00 0.00 H new ATOM 1481 N PRO A 99 9.775 8.805 -1.351 1.00 0.00 N ATOM 1482 CA PRO A 99 9.492 7.604 -2.126 1.00 0.00 C ATOM 1483 C PRO A 99 9.391 6.386 -1.205 1.00 0.00 C ATOM 1484 O PRO A 99 10.196 6.213 -0.285 1.00 0.00 O ATOM 1485 CB PRO A 99 10.654 7.451 -3.114 1.00 0.00 C ATOM 1486 CG PRO A 99 11.811 8.186 -2.438 1.00 0.00 C ATOM 1487 CD PRO A 99 11.124 9.284 -1.623 1.00 0.00 C ATOM 0 HA PRO A 99 8.540 7.681 -2.651 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.895 6.402 -3.288 1.00 0.00 H new ATOM 0 HB3 PRO A 99 10.415 7.889 -4.083 1.00 0.00 H new ATOM 0 HG2 PRO A 99 12.390 7.518 -1.800 1.00 0.00 H new ATOM 0 HG3 PRO A 99 12.501 8.605 -3.171 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.663 9.475 -0.695 1.00 0.00 H new ATOM 0 HD3 PRO A 99 11.100 10.222 -2.177 1.00 0.00 H new ATOM 1495 N ALA A 100 8.413 5.526 -1.477 1.00 0.00 N ATOM 1496 CA ALA A 100 8.293 4.217 -0.854 1.00 0.00 C ATOM 1497 C ALA A 100 9.297 3.221 -1.456 1.00 0.00 C ATOM 1498 O ALA A 100 9.904 3.479 -2.499 1.00 0.00 O ATOM 1499 CB ALA A 100 6.877 3.715 -1.121 1.00 0.00 C ATOM 0 H ALA A 100 7.671 5.725 -2.148 1.00 0.00 H new ATOM 0 HA ALA A 100 8.499 4.300 0.213 1.00 0.00 H new ATOM 0 HB1 ALA A 100 6.748 2.732 -0.668 1.00 0.00 H new ATOM 0 HB2 ALA A 100 6.157 4.411 -0.690 1.00 0.00 H new ATOM 0 HB3 ALA A 100 6.713 3.643 -2.196 1.00 0.00 H new ATOM 1505 N GLN A 101 9.433 2.049 -0.822 1.00 0.00 N ATOM 1506 CA GLN A 101 10.161 0.918 -1.389 1.00 0.00 C ATOM 1507 C GLN A 101 9.225 0.245 -2.393 1.00 0.00 C ATOM 1508 O GLN A 101 8.576 -0.754 -2.075 1.00 0.00 O ATOM 1509 CB GLN A 101 10.610 -0.088 -0.313 1.00 0.00 C ATOM 1510 CG GLN A 101 11.656 0.404 0.693 1.00 0.00 C ATOM 1511 CD GLN A 101 13.066 0.605 0.119 1.00 0.00 C ATOM 1512 OE1 GLN A 101 13.265 1.172 -0.951 1.00 0.00 O ATOM 1513 NE2 GLN A 101 14.089 0.143 0.822 1.00 0.00 N ATOM 0 H GLN A 101 9.039 1.863 0.100 1.00 0.00 H new ATOM 0 HA GLN A 101 11.073 1.273 -1.868 1.00 0.00 H new ATOM 0 HB2 GLN A 101 9.729 -0.409 0.242 1.00 0.00 H new ATOM 0 HB3 GLN A 101 11.009 -0.969 -0.816 1.00 0.00 H new ATOM 0 HG2 GLN A 101 11.315 1.349 1.116 1.00 0.00 H new ATOM 0 HG3 GLN A 101 11.713 -0.311 1.514 1.00 0.00 H new ATOM 0 HE21 GLN A 101 13.925 -0.328 1.712 1.00 0.00 H new ATOM 0 HE22 GLN A 101 15.041 0.259 0.474 1.00 0.00 H new ATOM 1522 N HIS A 102 9.136 0.800 -3.601 1.00 0.00 N ATOM 1523 CA HIS A 102 8.258 0.306 -4.662 1.00 0.00 C ATOM 1524 C HIS A 102 8.499 -1.173 -5.010 1.00 0.00 C ATOM 1525 O HIS A 102 7.600 -1.832 -5.531 1.00 0.00 O ATOM 1526 CB HIS A 102 8.381 1.231 -5.879 1.00 0.00 C ATOM 1527 CG HIS A 102 7.989 2.652 -5.546 1.00 0.00 C ATOM 1528 ND1 HIS A 102 8.789 3.778 -5.556 1.00 0.00 N ATOM 1529 CD2 HIS A 102 6.788 3.024 -5.004 1.00 0.00 C ATOM 1530 CE1 HIS A 102 8.075 4.788 -5.028 1.00 0.00 C ATOM 1531 NE2 HIS A 102 6.838 4.386 -4.704 1.00 0.00 N ATOM 0 H HIS A 102 9.680 1.618 -3.875 1.00 0.00 H new ATOM 0 HA HIS A 102 7.230 0.331 -4.300 1.00 0.00 H new ATOM 0 HB2 HIS A 102 9.407 1.214 -6.246 1.00 0.00 H new ATOM 0 HB3 HIS A 102 7.748 0.858 -6.684 1.00 0.00 H new ATOM 0 HD1 HIS A 102 9.747 3.833 -5.901 1.00 0.00 H new ATOM 0 HD2 HIS A 102 5.943 2.372 -4.837 1.00 0.00 H new ATOM 0 HE1 HIS A 102 8.449 5.791 -4.884 1.00 0.00 H new ATOM 1539 N ALA A 103 9.675 -1.706 -4.658 1.00 0.00 N ATOM 1540 CA ALA A 103 10.009 -3.123 -4.709 1.00 0.00 C ATOM 1541 C ALA A 103 9.001 -3.989 -3.938 1.00 0.00 C ATOM 1542 O ALA A 103 8.594 -5.051 -4.414 1.00 0.00 O ATOM 1543 CB ALA A 103 11.408 -3.293 -4.096 1.00 0.00 C ATOM 0 H ALA A 103 10.447 -1.133 -4.317 1.00 0.00 H new ATOM 0 HA ALA A 103 9.981 -3.454 -5.747 1.00 0.00 H new ATOM 0 HB1 ALA A 103 11.690 -4.346 -4.119 1.00 0.00 H new ATOM 0 HB2 ALA A 103 12.130 -2.712 -4.670 1.00 0.00 H new ATOM 0 HB3 ALA A 103 11.398 -2.942 -3.064 1.00 0.00 H new ATOM 1549 N ILE A 104 8.610 -3.560 -2.733 1.00 0.00 N ATOM 1550 CA ILE A 104 7.666 -4.297 -1.902 1.00 0.00 C ATOM 1551 C ILE A 104 6.311 -4.285 -2.616 1.00 0.00 C ATOM 1552 O ILE A 104 5.659 -5.326 -2.728 1.00 0.00 O ATOM 1553 CB ILE A 104 7.605 -3.670 -0.487 1.00 0.00 C ATOM 1554 CG1 ILE A 104 9.004 -3.647 0.175 1.00 0.00 C ATOM 1555 CG2 ILE A 104 6.604 -4.428 0.406 1.00 0.00 C ATOM 1556 CD1 ILE A 104 9.028 -2.934 1.530 1.00 0.00 C ATOM 0 H ILE A 104 8.942 -2.692 -2.311 1.00 0.00 H new ATOM 0 HA ILE A 104 7.978 -5.332 -1.764 1.00 0.00 H new ATOM 0 HB ILE A 104 7.263 -2.641 -0.596 1.00 0.00 H new ATOM 0 HG12 ILE A 104 9.352 -4.672 0.307 1.00 0.00 H new ATOM 0 HG13 ILE A 104 9.707 -3.156 -0.497 1.00 0.00 H new ATOM 0 HG21 ILE A 104 6.579 -3.969 1.395 1.00 0.00 H new ATOM 0 HG22 ILE A 104 5.611 -4.382 -0.041 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.913 -5.469 0.497 1.00 0.00 H new ATOM 0 HD11 ILE A 104 10.040 -2.956 1.935 1.00 0.00 H new ATOM 0 HD12 ILE A 104 8.711 -1.899 1.402 1.00 0.00 H new ATOM 0 HD13 ILE A 104 8.350 -3.438 2.219 1.00 0.00 H new ATOM 1568 N SER A 105 5.908 -3.121 -3.133 1.00 0.00 N ATOM 1569 CA SER A 105 4.643 -2.934 -3.817 1.00 0.00 C ATOM 1570 C SER A 105 4.523 -3.884 -4.999 1.00 0.00 C ATOM 1571 O SER A 105 3.507 -4.564 -5.113 1.00 0.00 O ATOM 1572 CB SER A 105 4.506 -1.485 -4.292 1.00 0.00 C ATOM 1573 OG SER A 105 5.156 -0.614 -3.391 1.00 0.00 O ATOM 0 H SER A 105 6.469 -2.271 -3.082 1.00 0.00 H new ATOM 0 HA SER A 105 3.839 -3.154 -3.114 1.00 0.00 H new ATOM 0 HB2 SER A 105 4.937 -1.378 -5.287 1.00 0.00 H new ATOM 0 HB3 SER A 105 3.452 -1.218 -4.371 1.00 0.00 H new ATOM 0 HG SER A 105 4.799 0.293 -3.498 1.00 0.00 H new ATOM 1579 N THR A 106 5.533 -3.966 -5.869 1.00 0.00 N ATOM 1580 CA THR A 106 5.419 -4.785 -7.060 1.00 0.00 C ATOM 1581 C THR A 106 5.285 -6.252 -6.692 1.00 0.00 C ATOM 1582 O THR A 106 4.375 -6.899 -7.199 1.00 0.00 O ATOM 1583 CB THR A 106 6.584 -4.535 -8.023 1.00 0.00 C ATOM 1584 OG1 THR A 106 7.831 -4.509 -7.360 1.00 0.00 O ATOM 1585 CG2 THR A 106 6.374 -3.185 -8.692 1.00 0.00 C ATOM 0 H THR A 106 6.424 -3.480 -5.767 1.00 0.00 H new ATOM 0 HA THR A 106 4.510 -4.497 -7.587 1.00 0.00 H new ATOM 0 HB THR A 106 6.601 -5.351 -8.746 1.00 0.00 H new ATOM 0 HG1 THR A 106 8.554 -4.509 -8.022 1.00 0.00 H new ATOM 0 HG21 THR A 106 7.195 -2.989 -9.382 1.00 0.00 H new ATOM 0 HG22 THR A 106 5.432 -3.194 -9.241 1.00 0.00 H new ATOM 0 HG23 THR A 106 6.344 -2.403 -7.933 1.00 0.00 H new ATOM 1593 N GLU A 107 6.110 -6.775 -5.784 1.00 0.00 N ATOM 1594 CA GLU A 107 6.027 -8.184 -5.421 1.00 0.00 C ATOM 1595 C GLU A 107 4.648 -8.512 -4.829 1.00 0.00 C ATOM 1596 O GLU A 107 4.058 -9.538 -5.178 1.00 0.00 O ATOM 1597 CB GLU A 107 7.176 -8.560 -4.474 1.00 0.00 C ATOM 1598 CG GLU A 107 8.560 -8.466 -5.144 1.00 0.00 C ATOM 1599 CD GLU A 107 8.710 -9.401 -6.357 1.00 0.00 C ATOM 1600 OE1 GLU A 107 8.886 -10.627 -6.165 1.00 0.00 O ATOM 1601 OE2 GLU A 107 8.669 -8.915 -7.511 1.00 0.00 O ATOM 0 H GLU A 107 6.834 -6.249 -5.294 1.00 0.00 H new ATOM 0 HA GLU A 107 6.137 -8.791 -6.320 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.153 -7.903 -3.605 1.00 0.00 H new ATOM 0 HB3 GLU A 107 7.022 -9.576 -4.110 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.734 -7.438 -5.462 1.00 0.00 H new ATOM 0 HG3 GLU A 107 9.329 -8.707 -4.410 1.00 0.00 H new ATOM 1608 N LYS A 108 4.088 -7.624 -3.999 1.00 0.00 N ATOM 1609 CA LYS A 108 2.756 -7.825 -3.431 1.00 0.00 C ATOM 1610 C LYS A 108 1.669 -7.730 -4.503 1.00 0.00 C ATOM 1611 O LYS A 108 0.799 -8.597 -4.551 1.00 0.00 O ATOM 1612 CB LYS A 108 2.508 -6.822 -2.296 1.00 0.00 C ATOM 1613 CG LYS A 108 3.330 -7.154 -1.042 1.00 0.00 C ATOM 1614 CD LYS A 108 3.078 -6.120 0.065 1.00 0.00 C ATOM 1615 CE LYS A 108 3.818 -6.512 1.350 1.00 0.00 C ATOM 1616 NZ LYS A 108 3.015 -7.411 2.209 1.00 0.00 N ATOM 0 H LYS A 108 4.541 -6.758 -3.707 1.00 0.00 H new ATOM 0 HA LYS A 108 2.710 -8.833 -3.018 1.00 0.00 H new ATOM 0 HB2 LYS A 108 2.759 -5.818 -2.638 1.00 0.00 H new ATOM 0 HB3 LYS A 108 1.448 -6.816 -2.043 1.00 0.00 H new ATOM 0 HG2 LYS A 108 3.068 -8.149 -0.683 1.00 0.00 H new ATOM 0 HG3 LYS A 108 4.391 -7.175 -1.292 1.00 0.00 H new ATOM 0 HD2 LYS A 108 3.410 -5.136 -0.267 1.00 0.00 H new ATOM 0 HD3 LYS A 108 2.009 -6.045 0.263 1.00 0.00 H new ATOM 0 HE2 LYS A 108 4.756 -7.003 1.091 1.00 0.00 H new ATOM 0 HE3 LYS A 108 4.073 -5.612 1.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 3.650 -8.011 2.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 2.419 -6.843 2.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 2.410 -8.012 1.613 1.00 0.00 H new ATOM 1630 N ILE A 109 1.691 -6.717 -5.373 1.00 0.00 N ATOM 1631 CA ILE A 109 0.657 -6.535 -6.393 1.00 0.00 C ATOM 1632 C ILE A 109 0.737 -7.691 -7.407 1.00 0.00 C ATOM 1633 O ILE A 109 -0.307 -8.211 -7.800 1.00 0.00 O ATOM 1634 CB ILE A 109 0.741 -5.121 -7.032 1.00 0.00 C ATOM 1635 CG1 ILE A 109 0.521 -3.998 -5.983 1.00 0.00 C ATOM 1636 CG2 ILE A 109 -0.337 -4.932 -8.124 1.00 0.00 C ATOM 1637 CD1 ILE A 109 1.001 -2.621 -6.467 1.00 0.00 C ATOM 0 H ILE A 109 2.421 -6.005 -5.390 1.00 0.00 H new ATOM 0 HA ILE A 109 -0.333 -6.577 -5.939 1.00 0.00 H new ATOM 0 HB ILE A 109 1.742 -5.049 -7.458 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -0.539 -3.941 -5.737 1.00 0.00 H new ATOM 0 HG13 ILE A 109 1.048 -4.258 -5.065 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -0.251 -3.933 -8.551 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -0.195 -5.675 -8.908 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -1.326 -5.054 -7.684 1.00 0.00 H new ATOM 0 HD11 ILE A 109 0.820 -1.879 -5.690 1.00 0.00 H new ATOM 0 HD12 ILE A 109 2.068 -2.664 -6.686 1.00 0.00 H new ATOM 0 HD13 ILE A 109 0.456 -2.342 -7.369 1.00 0.00 H new ATOM 1649 N LYS A 110 1.937 -8.164 -7.784 1.00 0.00 N ATOM 1650 CA LYS A 110 2.095 -9.348 -8.637 1.00 0.00 C ATOM 1651 C LYS A 110 1.417 -10.547 -7.978 1.00 0.00 C ATOM 1652 O LYS A 110 0.653 -11.247 -8.638 1.00 0.00 O ATOM 1653 CB LYS A 110 3.579 -9.691 -8.870 1.00 0.00 C ATOM 1654 CG LYS A 110 4.382 -8.749 -9.784 1.00 0.00 C ATOM 1655 CD LYS A 110 5.869 -9.118 -9.663 1.00 0.00 C ATOM 1656 CE LYS A 110 6.792 -8.191 -10.459 1.00 0.00 C ATOM 1657 NZ LYS A 110 8.218 -8.530 -10.229 1.00 0.00 N ATOM 0 H LYS A 110 2.820 -7.736 -7.506 1.00 0.00 H new ATOM 0 HA LYS A 110 1.635 -9.123 -9.599 1.00 0.00 H new ATOM 0 HB2 LYS A 110 4.075 -9.724 -7.900 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.632 -10.696 -9.290 1.00 0.00 H new ATOM 0 HG2 LYS A 110 4.049 -8.846 -10.817 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.223 -7.710 -9.494 1.00 0.00 H new ATOM 0 HD2 LYS A 110 6.158 -9.092 -8.612 1.00 0.00 H new ATOM 0 HD3 LYS A 110 6.011 -10.143 -10.007 1.00 0.00 H new ATOM 0 HE2 LYS A 110 6.563 -8.270 -11.522 1.00 0.00 H new ATOM 0 HE3 LYS A 110 6.610 -7.156 -10.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 8.822 -7.816 -10.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 8.410 -8.547 -9.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 8.422 -9.465 -10.635 1.00 0.00 H new ATOM 1786 N VAL A 118 3.691 -6.541 -12.926 1.00 0.00 N ATOM 1787 CA VAL A 118 3.835 -5.222 -12.328 1.00 0.00 C ATOM 1788 C VAL A 118 5.325 -4.878 -12.350 1.00 0.00 C ATOM 1789 O VAL A 118 6.153 -5.769 -12.139 1.00 0.00 O ATOM 1790 CB VAL A 118 3.305 -5.210 -10.874 1.00 0.00 C ATOM 1791 CG1 VAL A 118 3.027 -3.788 -10.365 1.00 0.00 C ATOM 1792 CG2 VAL A 118 2.032 -6.044 -10.659 1.00 0.00 C ATOM 0 HA VAL A 118 3.255 -4.489 -12.888 1.00 0.00 H new ATOM 0 HB VAL A 118 4.115 -5.666 -10.305 1.00 0.00 H new ATOM 0 HG11 VAL A 118 2.657 -3.834 -9.341 1.00 0.00 H new ATOM 0 HG12 VAL A 118 3.948 -3.205 -10.393 1.00 0.00 H new ATOM 0 HG13 VAL A 118 2.279 -3.314 -11.000 1.00 0.00 H new ATOM 0 HG21 VAL A 118 1.728 -5.981 -9.614 1.00 0.00 H new ATOM 0 HG22 VAL A 118 1.233 -5.659 -11.293 1.00 0.00 H new ATOM 0 HG23 VAL A 118 2.230 -7.084 -10.917 1.00 0.00 H new ATOM 1802 N THR A 119 5.671 -3.611 -12.552 1.00 0.00 N ATOM 1803 CA THR A 119 7.045 -3.120 -12.555 1.00 0.00 C ATOM 1804 C THR A 119 7.119 -1.801 -11.777 1.00 0.00 C ATOM 1805 O THR A 119 6.095 -1.224 -11.400 1.00 0.00 O ATOM 1806 CB THR A 119 7.543 -2.982 -14.009 1.00 0.00 C ATOM 1807 OG1 THR A 119 6.575 -2.339 -14.826 1.00 0.00 O ATOM 1808 CG2 THR A 119 7.870 -4.356 -14.603 1.00 0.00 C ATOM 0 H THR A 119 4.984 -2.876 -12.723 1.00 0.00 H new ATOM 0 HA THR A 119 7.705 -3.829 -12.055 1.00 0.00 H new ATOM 0 HB THR A 119 8.446 -2.372 -13.986 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.558 -1.381 -14.621 1.00 0.00 H new ATOM 0 HG21 THR A 119 8.219 -4.235 -15.628 1.00 0.00 H new ATOM 0 HG22 THR A 119 8.649 -4.833 -14.008 1.00 0.00 H new ATOM 0 HG23 THR A 119 6.975 -4.978 -14.595 1.00 0.00 H new ATOM 1816 N TRP A 120 8.332 -1.320 -11.511 1.00 0.00 N ATOM 1817 CA TRP A 120 8.557 -0.010 -10.926 1.00 0.00 C ATOM 1818 C TRP A 120 9.820 0.579 -11.547 1.00 0.00 C ATOM 1819 O TRP A 120 10.692 -0.160 -12.015 1.00 0.00 O ATOM 1820 CB TRP A 120 8.669 -0.096 -9.395 1.00 0.00 C ATOM 1821 CG TRP A 120 9.875 -0.775 -8.827 1.00 0.00 C ATOM 1822 CD1 TRP A 120 10.045 -2.109 -8.703 1.00 0.00 C ATOM 1823 CD2 TRP A 120 11.077 -0.163 -8.262 1.00 0.00 C ATOM 1824 NE1 TRP A 120 11.262 -2.373 -8.116 1.00 0.00 N ATOM 1825 CE2 TRP A 120 11.932 -1.212 -7.798 1.00 0.00 C ATOM 1826 CE3 TRP A 120 11.528 1.167 -8.075 1.00 0.00 C ATOM 1827 CZ2 TRP A 120 13.159 -0.961 -7.170 1.00 0.00 C ATOM 1828 CZ3 TRP A 120 12.755 1.421 -7.431 1.00 0.00 C ATOM 1829 CH2 TRP A 120 13.569 0.367 -6.980 1.00 0.00 C ATOM 0 H TRP A 120 9.191 -1.837 -11.699 1.00 0.00 H new ATOM 0 HA TRP A 120 7.709 0.641 -11.138 1.00 0.00 H new ATOM 0 HB2 TRP A 120 8.636 0.919 -8.998 1.00 0.00 H new ATOM 0 HB3 TRP A 120 7.785 -0.613 -9.022 1.00 0.00 H new ATOM 0 HD1 TRP A 120 9.332 -2.857 -9.017 1.00 0.00 H new ATOM 0 HE1 TRP A 120 11.622 -3.311 -7.939 1.00 0.00 H new ATOM 0 HE3 TRP A 120 10.927 1.992 -8.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 13.781 -1.779 -6.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 13.075 2.441 -7.281 1.00 0.00 H new ATOM 0 HH2 TRP A 120 14.507 0.579 -6.489 1.00 0.00 H new