USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=24 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 89 HIS : no HD1:sc= 0.904 K(o=2.2,f=-4.9!) USER MOD Set 1.2: A 119 THR OG1 : rot 73:sc= 1.27 USER MOD Set 2.1: A 22 TYR OH : rot -126:sc= 0.961 USER MOD Set 2.2: A 102 HIS : no HE2:sc= -0.212 K(o=1.7,f=-0.39!) USER MOD Set 2.3: A 105 SER OG : rot -95:sc= 0.903 USER MOD Set 3.1: A 64 MET CE :methyl -172:sc=-0.00561 (180deg=-0.0437) USER MOD Set 3.2: A 67 GLN : amide:sc= 1.13 K(o=1.1,f=-0.096) USER MOD Set 4.1: A 61 SER OG : rot 180:sc= 0.408 USER MOD Set 4.2: A 65 GLN : amide:sc= 0.441 X(o=0.85,f=1.2) USER MOD Set 5.1: A 28 HIS : no HD1:sc= 1.1 K(o=2.5,f=-4.8!) USER MOD Set 5.2: A 40 SER OG : rot -102:sc= 1.36 USER MOD Single : A 21 LYS NZ :NH3+ -179:sc= 1.19 (180deg=1.18) USER MOD Single : A 29 SER OG : rot 119:sc= 0.956 USER MOD Single : A 41 LYS NZ :NH3+ 139:sc= 2.09 (180deg=0.847) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 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= 0.954 K(o=0.95,f=-4.3!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -154:sc= 0.161 (180deg=0.0332) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.0687 USER MOD Single : A 71 CYS SG : rot 80:sc= -1.64 USER MOD Single : A 73 CYS SG : rot 138:sc= 1.06 USER MOD Single : A 91 TYR OH : rot 180:sc= 0.582 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 100:sc= 0.437 USER MOD Single : A 95 MET CE :methyl -171:sc= 0 (180deg=-0.0711) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.0661 X(o=-0.066,f=-0.066) USER MOD Single : A 106 THR OG1 : rot 160:sc= 0.00449 USER MOD Single : A 108 LYS NZ :NH3+ 157:sc= 1.56 (180deg=0.19) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N ALA A 4 -7.061 -9.048 15.969 1.00 0.00 N ATOM 47 CA ALA A 4 -6.492 -9.283 14.646 1.00 0.00 C ATOM 48 C ALA A 4 -5.105 -9.939 14.754 1.00 0.00 C ATOM 49 O ALA A 4 -4.580 -10.161 15.847 1.00 0.00 O ATOM 50 CB ALA A 4 -6.427 -7.954 13.876 1.00 0.00 C ATOM 0 HA ALA A 4 -7.131 -9.974 14.097 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -6.002 -8.127 12.887 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -7.432 -7.544 13.773 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -5.801 -7.248 14.421 1.00 0.00 H new ATOM 56 N ASP A 5 -4.490 -10.202 13.603 1.00 0.00 N ATOM 57 CA ASP A 5 -3.110 -10.654 13.452 1.00 0.00 C ATOM 58 C ASP A 5 -2.620 -10.110 12.112 1.00 0.00 C ATOM 59 O ASP A 5 -3.438 -9.888 11.216 1.00 0.00 O ATOM 60 CB ASP A 5 -3.042 -12.187 13.462 1.00 0.00 C ATOM 61 CG ASP A 5 -1.606 -12.670 13.213 1.00 0.00 C ATOM 62 OD1 ASP A 5 -0.821 -12.750 14.183 1.00 0.00 O ATOM 63 OD2 ASP A 5 -1.257 -12.939 12.043 1.00 0.00 O ATOM 0 H ASP A 5 -4.965 -10.100 12.706 1.00 0.00 H new ATOM 0 HA ASP A 5 -2.489 -10.297 14.274 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -3.397 -12.565 14.421 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -3.704 -12.590 12.696 1.00 0.00 H new ATOM 68 N LEU A 6 -1.312 -9.891 11.948 1.00 0.00 N ATOM 69 CA LEU A 6 -0.749 -9.301 10.738 1.00 0.00 C ATOM 70 C LEU A 6 -1.117 -10.082 9.475 1.00 0.00 C ATOM 71 O LEU A 6 -1.299 -9.467 8.422 1.00 0.00 O ATOM 72 CB LEU A 6 0.780 -9.195 10.853 1.00 0.00 C ATOM 73 CG LEU A 6 1.324 -8.311 11.993 1.00 0.00 C ATOM 74 CD1 LEU A 6 2.839 -8.154 11.839 1.00 0.00 C ATOM 75 CD2 LEU A 6 0.681 -6.921 12.019 1.00 0.00 C ATOM 0 H LEU A 6 -0.614 -10.120 12.656 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.183 -8.305 10.646 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.183 -10.200 10.978 1.00 0.00 H new ATOM 0 HB3 LEU A 6 1.167 -8.811 9.909 1.00 0.00 H new ATOM 0 HG LEU A 6 1.077 -8.809 12.931 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.224 -7.529 12.645 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.313 -9.135 11.883 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.061 -7.686 10.880 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.101 -6.341 12.841 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.879 -6.411 11.077 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.396 -7.021 12.158 1.00 0.00 H new ATOM 87 N ALA A 7 -1.255 -11.410 9.553 1.00 0.00 N ATOM 88 CA ALA A 7 -1.646 -12.230 8.416 1.00 0.00 C ATOM 89 C ALA A 7 -3.093 -11.961 7.978 1.00 0.00 C ATOM 90 O ALA A 7 -3.433 -12.198 6.818 1.00 0.00 O ATOM 91 CB ALA A 7 -1.468 -13.713 8.760 1.00 0.00 C ATOM 0 H ALA A 7 -1.097 -11.941 10.410 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.999 -11.964 7.580 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.762 -14.323 7.906 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.423 -13.907 9.002 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.092 -13.965 9.617 1.00 0.00 H new ATOM 97 N LEU A 8 -3.948 -11.488 8.893 1.00 0.00 N ATOM 98 CA LEU A 8 -5.365 -11.250 8.636 1.00 0.00 C ATOM 99 C LEU A 8 -5.599 -9.856 8.050 1.00 0.00 C ATOM 100 O LEU A 8 -6.635 -9.646 7.419 1.00 0.00 O ATOM 101 CB LEU A 8 -6.189 -11.410 9.929 1.00 0.00 C ATOM 102 CG LEU A 8 -6.122 -12.806 10.579 1.00 0.00 C ATOM 103 CD1 LEU A 8 -6.902 -12.801 11.899 1.00 0.00 C ATOM 104 CD2 LEU A 8 -6.681 -13.905 9.666 1.00 0.00 C ATOM 0 H LEU A 8 -3.666 -11.258 9.846 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.692 -11.992 7.908 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.845 -10.672 10.654 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.231 -11.179 9.708 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.070 -13.027 10.758 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.852 -13.790 12.355 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.466 -12.067 12.576 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.943 -12.543 11.705 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.610 -14.868 10.171 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.725 -13.691 9.436 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.105 -13.937 8.741 1.00 0.00 H new ATOM 116 N ILE A 9 -4.676 -8.904 8.247 1.00 0.00 N ATOM 117 CA ILE A 9 -4.811 -7.560 7.685 1.00 0.00 C ATOM 118 C ILE A 9 -4.765 -7.694 6.152 1.00 0.00 C ATOM 119 O ILE A 9 -3.802 -8.291 5.652 1.00 0.00 O ATOM 120 CB ILE A 9 -3.702 -6.603 8.185 1.00 0.00 C ATOM 121 CG1 ILE A 9 -3.606 -6.568 9.729 1.00 0.00 C ATOM 122 CG2 ILE A 9 -3.962 -5.183 7.651 1.00 0.00 C ATOM 123 CD1 ILE A 9 -2.424 -5.754 10.271 1.00 0.00 C ATOM 0 H ILE A 9 -3.826 -9.044 8.794 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.756 -7.124 8.010 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.752 -6.980 7.807 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.531 -6.153 10.129 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.528 -7.590 10.100 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.179 -4.512 8.005 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.961 -5.198 6.561 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.930 -4.832 8.008 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.432 -5.782 11.361 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -1.490 -6.180 9.904 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.509 -4.721 9.934 1.00 0.00 H new ATOM 135 N PRO A 10 -5.739 -7.124 5.409 1.00 0.00 N ATOM 136 CA PRO A 10 -5.719 -7.043 3.953 1.00 0.00 C ATOM 137 C PRO A 10 -4.361 -6.572 3.435 1.00 0.00 C ATOM 138 O PRO A 10 -3.929 -5.449 3.715 1.00 0.00 O ATOM 139 CB PRO A 10 -6.851 -6.087 3.573 1.00 0.00 C ATOM 140 CG PRO A 10 -7.859 -6.287 4.699 1.00 0.00 C ATOM 141 CD PRO A 10 -6.961 -6.507 5.914 1.00 0.00 C ATOM 0 HA PRO A 10 -5.869 -8.021 3.495 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.506 -5.054 3.518 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -7.278 -6.333 2.601 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.505 -5.418 4.824 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.508 -7.143 4.515 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.743 -5.563 6.413 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.448 -7.150 6.647 1.00 0.00 H new ATOM 149 N ASP A 11 -3.678 -7.456 2.711 1.00 0.00 N ATOM 150 CA ASP A 11 -2.284 -7.268 2.320 1.00 0.00 C ATOM 151 C ASP A 11 -2.129 -6.192 1.241 1.00 0.00 C ATOM 152 O ASP A 11 -1.145 -5.454 1.220 1.00 0.00 O ATOM 153 CB ASP A 11 -1.730 -8.618 1.851 1.00 0.00 C ATOM 154 CG ASP A 11 -0.215 -8.661 2.007 1.00 0.00 C ATOM 155 OD1 ASP A 11 0.255 -8.677 3.167 1.00 0.00 O ATOM 156 OD2 ASP A 11 0.512 -8.694 0.993 1.00 0.00 O ATOM 0 H ASP A 11 -4.081 -8.331 2.376 1.00 0.00 H new ATOM 0 HA ASP A 11 -1.715 -6.913 3.179 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.183 -9.423 2.429 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.998 -8.784 0.808 1.00 0.00 H new ATOM 161 N VAL A 12 -3.149 -6.053 0.393 1.00 0.00 N ATOM 162 CA VAL A 12 -3.318 -5.003 -0.600 1.00 0.00 C ATOM 163 C VAL A 12 -4.819 -4.703 -0.610 1.00 0.00 C ATOM 164 O VAL A 12 -5.621 -5.636 -0.492 1.00 0.00 O ATOM 165 CB VAL A 12 -2.871 -5.499 -1.996 1.00 0.00 C ATOM 166 CG1 VAL A 12 -2.930 -4.393 -3.061 1.00 0.00 C ATOM 167 CG2 VAL A 12 -1.464 -6.111 -2.012 1.00 0.00 C ATOM 0 H VAL A 12 -3.925 -6.715 0.385 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.719 -4.123 -0.365 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.590 -6.281 -2.238 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.606 -4.795 -4.021 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.953 -4.026 -3.148 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.273 -3.573 -2.771 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.220 -6.436 -3.023 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.739 -5.365 -1.686 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.432 -6.967 -1.338 1.00 0.00 H new ATOM 177 N ASP A 13 -5.215 -3.439 -0.763 1.00 0.00 N ATOM 178 CA ASP A 13 -6.611 -3.085 -1.013 1.00 0.00 C ATOM 179 C ASP A 13 -6.647 -1.785 -1.815 1.00 0.00 C ATOM 180 O ASP A 13 -5.985 -0.810 -1.455 1.00 0.00 O ATOM 181 CB ASP A 13 -7.417 -2.972 0.292 1.00 0.00 C ATOM 182 CG ASP A 13 -8.933 -2.856 0.044 1.00 0.00 C ATOM 183 OD1 ASP A 13 -9.429 -3.301 -1.015 1.00 0.00 O ATOM 184 OD2 ASP A 13 -9.653 -2.368 0.944 1.00 0.00 O ATOM 0 H ASP A 13 -4.583 -2.639 -0.718 1.00 0.00 H new ATOM 0 HA ASP A 13 -7.085 -3.879 -1.589 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.220 -3.846 0.913 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.076 -2.100 0.851 1.00 0.00 H new ATOM 189 N ILE A 14 -7.374 -1.803 -2.929 1.00 0.00 N ATOM 190 CA ILE A 14 -7.529 -0.731 -3.911 1.00 0.00 C ATOM 191 C ILE A 14 -8.958 -0.863 -4.470 1.00 0.00 C ATOM 192 O ILE A 14 -9.580 -1.920 -4.310 1.00 0.00 O ATOM 193 CB ILE A 14 -6.452 -0.831 -5.030 1.00 0.00 C ATOM 194 CG1 ILE A 14 -6.516 -2.172 -5.804 1.00 0.00 C ATOM 195 CG2 ILE A 14 -5.031 -0.589 -4.480 1.00 0.00 C ATOM 196 CD1 ILE A 14 -5.546 -2.266 -6.989 1.00 0.00 C ATOM 0 H ILE A 14 -7.911 -2.630 -3.189 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.385 0.249 -3.456 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.683 -0.037 -5.740 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.305 -2.987 -5.112 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.532 -2.319 -6.169 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.308 -0.667 -5.292 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.976 0.407 -4.040 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.804 -1.335 -3.719 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.657 -3.236 -7.474 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -5.769 -1.475 -7.705 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.523 -2.154 -6.631 1.00 0.00 H new ATOM 266 N PHE A 20 -3.856 6.565 -9.996 1.00 0.00 N ATOM 267 CA PHE A 20 -4.134 7.069 -8.646 1.00 0.00 C ATOM 268 C PHE A 20 -2.926 6.861 -7.728 1.00 0.00 C ATOM 269 O PHE A 20 -2.057 6.028 -8.000 1.00 0.00 O ATOM 270 CB PHE A 20 -5.392 6.425 -8.036 1.00 0.00 C ATOM 271 CG PHE A 20 -5.423 4.906 -8.017 1.00 0.00 C ATOM 272 CD1 PHE A 20 -4.808 4.189 -6.974 1.00 0.00 C ATOM 273 CD2 PHE A 20 -6.084 4.204 -9.041 1.00 0.00 C ATOM 274 CE1 PHE A 20 -4.854 2.784 -6.952 1.00 0.00 C ATOM 275 CE2 PHE A 20 -6.118 2.799 -9.027 1.00 0.00 C ATOM 276 CZ PHE A 20 -5.508 2.087 -7.981 1.00 0.00 C ATOM 0 HA PHE A 20 -4.326 8.138 -8.736 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.499 6.783 -7.012 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.262 6.779 -8.590 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.297 4.721 -6.185 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.567 4.746 -9.840 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.387 2.241 -6.144 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.615 2.265 -9.823 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.542 1.008 -7.968 1.00 0.00 H new ATOM 286 N LYS A 21 -2.856 7.641 -6.644 1.00 0.00 N ATOM 287 CA LYS A 21 -1.771 7.588 -5.668 1.00 0.00 C ATOM 288 C LYS A 21 -1.949 6.394 -4.736 1.00 0.00 C ATOM 289 O LYS A 21 -3.078 5.969 -4.481 1.00 0.00 O ATOM 290 CB LYS A 21 -1.748 8.886 -4.855 1.00 0.00 C ATOM 291 CG LYS A 21 -1.307 10.088 -5.699 1.00 0.00 C ATOM 292 CD LYS A 21 -1.338 11.378 -4.872 1.00 0.00 C ATOM 293 CE LYS A 21 -0.811 12.534 -5.730 1.00 0.00 C ATOM 294 NZ LYS A 21 -0.806 13.828 -5.009 1.00 0.00 N ATOM 0 H LYS A 21 -3.566 8.338 -6.420 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.825 7.475 -6.198 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.741 9.075 -4.447 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.072 8.771 -4.008 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.300 9.920 -6.080 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.962 10.190 -6.564 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.355 11.588 -4.541 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.728 11.266 -3.976 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.202 12.303 -6.060 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.425 12.625 -6.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.457 14.576 -5.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.773 14.058 -4.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.185 13.760 -4.177 1.00 0.00 H new ATOM 308 N TYR A 22 -0.849 5.898 -4.173 1.00 0.00 N ATOM 309 CA TYR A 22 -0.843 4.825 -3.189 1.00 0.00 C ATOM 310 C TYR A 22 0.243 5.118 -2.139 1.00 0.00 C ATOM 311 O TYR A 22 1.127 5.947 -2.373 1.00 0.00 O ATOM 312 CB TYR A 22 -0.662 3.464 -3.900 1.00 0.00 C ATOM 313 CG TYR A 22 0.738 2.906 -3.802 1.00 0.00 C ATOM 314 CD1 TYR A 22 1.762 3.415 -4.617 1.00 0.00 C ATOM 315 CD2 TYR A 22 1.040 2.005 -2.767 1.00 0.00 C ATOM 316 CE1 TYR A 22 3.098 3.080 -4.347 1.00 0.00 C ATOM 317 CE2 TYR A 22 2.372 1.676 -2.482 1.00 0.00 C ATOM 318 CZ TYR A 22 3.409 2.231 -3.260 1.00 0.00 C ATOM 319 OH TYR A 22 4.707 1.965 -2.951 1.00 0.00 O ATOM 0 H TYR A 22 0.085 6.242 -4.396 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.795 4.770 -2.662 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.360 2.745 -3.471 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.925 3.576 -4.952 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.523 4.062 -5.448 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.242 1.564 -2.188 1.00 0.00 H new ATOM 0 HE1 TYR A 22 3.889 3.471 -4.970 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.603 1.001 -1.671 1.00 0.00 H new ATOM 0 HH TYR A 22 4.846 0.995 -2.930 1.00 0.00 H new ATOM 329 N VAL A 23 0.206 4.429 -0.999 1.00 0.00 N ATOM 330 CA VAL A 23 1.244 4.467 0.026 1.00 0.00 C ATOM 331 C VAL A 23 1.596 3.041 0.440 1.00 0.00 C ATOM 332 O VAL A 23 0.764 2.128 0.371 1.00 0.00 O ATOM 333 CB VAL A 23 0.822 5.321 1.243 1.00 0.00 C ATOM 334 CG1 VAL A 23 0.764 6.816 0.904 1.00 0.00 C ATOM 335 CG2 VAL A 23 -0.520 4.870 1.838 1.00 0.00 C ATOM 0 H VAL A 23 -0.570 3.812 -0.758 1.00 0.00 H new ATOM 0 HA VAL A 23 2.129 4.946 -0.393 1.00 0.00 H new ATOM 0 HB VAL A 23 1.595 5.166 1.995 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.463 7.378 1.788 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.747 7.153 0.577 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.040 6.980 0.106 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.771 5.502 2.690 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.300 4.954 1.081 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.443 3.833 2.165 1.00 0.00 H new ATOM 345 N LEU A 24 2.836 2.873 0.901 1.00 0.00 N ATOM 346 CA LEU A 24 3.371 1.618 1.401 1.00 0.00 C ATOM 347 C LEU A 24 3.482 1.810 2.906 1.00 0.00 C ATOM 348 O LEU A 24 4.194 2.718 3.339 1.00 0.00 O ATOM 349 CB LEU A 24 4.743 1.367 0.753 1.00 0.00 C ATOM 350 CG LEU A 24 5.464 0.075 1.183 1.00 0.00 C ATOM 351 CD1 LEU A 24 4.638 -1.187 0.920 1.00 0.00 C ATOM 352 CD2 LEU A 24 6.789 -0.007 0.413 1.00 0.00 C ATOM 0 H LEU A 24 3.513 3.635 0.935 1.00 0.00 H new ATOM 0 HA LEU A 24 2.748 0.755 1.167 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.614 1.345 -0.329 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.391 2.214 0.979 1.00 0.00 H new ATOM 0 HG LEU A 24 5.627 0.119 2.260 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.199 -2.063 1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.701 -1.131 1.474 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.424 -1.267 -0.146 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.321 -0.914 0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.587 -0.027 -0.658 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.402 0.863 0.650 1.00 0.00 H new ATOM 364 N ILE A 25 2.769 1.022 3.705 1.00 0.00 N ATOM 365 CA ILE A 25 2.659 1.243 5.146 1.00 0.00 C ATOM 366 C ILE A 25 3.144 -0.021 5.836 1.00 0.00 C ATOM 367 O ILE A 25 2.628 -1.106 5.576 1.00 0.00 O ATOM 368 CB ILE A 25 1.208 1.631 5.532 1.00 0.00 C ATOM 369 CG1 ILE A 25 0.839 3.024 4.971 1.00 0.00 C ATOM 370 CG2 ILE A 25 1.003 1.613 7.060 1.00 0.00 C ATOM 371 CD1 ILE A 25 -0.655 3.357 5.085 1.00 0.00 C ATOM 0 H ILE A 25 2.249 0.210 3.372 1.00 0.00 H new ATOM 0 HA ILE A 25 3.277 2.080 5.469 1.00 0.00 H new ATOM 0 HB ILE A 25 0.549 0.884 5.089 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.413 3.784 5.501 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.135 3.074 3.923 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.025 1.890 7.292 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.205 0.612 7.442 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.685 2.324 7.527 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.839 4.349 4.672 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.235 2.619 4.531 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.953 3.340 6.133 1.00 0.00 H new ATOM 383 N ARG A 26 4.147 0.117 6.700 1.00 0.00 N ATOM 384 CA ARG A 26 4.565 -0.945 7.599 1.00 0.00 C ATOM 385 C ARG A 26 3.591 -0.954 8.766 1.00 0.00 C ATOM 386 O ARG A 26 3.129 0.108 9.185 1.00 0.00 O ATOM 387 CB ARG A 26 6.000 -0.679 8.074 1.00 0.00 C ATOM 388 CG ARG A 26 6.533 -1.812 8.970 1.00 0.00 C ATOM 389 CD ARG A 26 8.064 -1.806 9.045 1.00 0.00 C ATOM 390 NE ARG A 26 8.638 -2.365 7.813 1.00 0.00 N ATOM 391 CZ ARG A 26 9.849 -2.153 7.295 1.00 0.00 C ATOM 392 NH1 ARG A 26 10.721 -1.329 7.869 1.00 0.00 N ATOM 393 NH2 ARG A 26 10.148 -2.803 6.179 1.00 0.00 N ATOM 0 H ARG A 26 4.692 0.974 6.793 1.00 0.00 H new ATOM 0 HA ARG A 26 4.558 -1.916 7.104 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.653 -0.565 7.208 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.031 0.262 8.623 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.120 -1.707 9.973 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.192 -2.772 8.583 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.424 -0.788 9.192 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.395 -2.388 9.905 1.00 0.00 H new ATOM 0 HE ARG A 26 8.033 -2.996 7.287 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.471 -0.840 8.728 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.640 -1.187 7.450 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.465 -3.431 5.756 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.061 -2.675 5.743 1.00 0.00 H new ATOM 407 N VAL A 27 3.341 -2.128 9.324 1.00 0.00 N ATOM 408 CA VAL A 27 2.525 -2.342 10.501 1.00 0.00 C ATOM 409 C VAL A 27 3.253 -3.385 11.353 1.00 0.00 C ATOM 410 O VAL A 27 3.929 -4.265 10.812 1.00 0.00 O ATOM 411 CB VAL A 27 1.090 -2.724 10.066 1.00 0.00 C ATOM 412 CG1 VAL A 27 1.014 -3.889 9.065 1.00 0.00 C ATOM 413 CG2 VAL A 27 0.200 -3.032 11.274 1.00 0.00 C ATOM 0 H VAL A 27 3.721 -2.997 8.948 1.00 0.00 H new ATOM 0 HA VAL A 27 2.397 -1.450 11.115 1.00 0.00 H new ATOM 0 HB VAL A 27 0.721 -1.840 9.546 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.029 -4.088 8.816 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.559 -3.626 8.159 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.457 -4.780 9.510 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.800 -3.296 10.931 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.623 -3.865 11.835 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.143 -2.154 11.917 1.00 0.00 H new ATOM 423 N HIS A 28 3.136 -3.281 12.675 1.00 0.00 N ATOM 424 CA HIS A 28 3.816 -4.136 13.642 1.00 0.00 C ATOM 425 C HIS A 28 2.765 -4.856 14.487 1.00 0.00 C ATOM 426 O HIS A 28 1.637 -4.367 14.620 1.00 0.00 O ATOM 427 CB HIS A 28 4.712 -3.286 14.555 1.00 0.00 C ATOM 428 CG HIS A 28 5.655 -2.371 13.814 1.00 0.00 C ATOM 429 ND1 HIS A 28 6.818 -2.737 13.179 1.00 0.00 N ATOM 430 CD2 HIS A 28 5.513 -1.019 13.642 1.00 0.00 C ATOM 431 CE1 HIS A 28 7.373 -1.632 12.656 1.00 0.00 C ATOM 432 NE2 HIS A 28 6.609 -0.552 12.904 1.00 0.00 N ATOM 0 H HIS A 28 2.546 -2.576 13.116 1.00 0.00 H new ATOM 0 HA HIS A 28 4.435 -4.862 13.116 1.00 0.00 H new ATOM 0 HB2 HIS A 28 4.080 -2.686 15.210 1.00 0.00 H new ATOM 0 HB3 HIS A 28 5.294 -3.949 15.195 1.00 0.00 H new ATOM 0 HD2 HIS A 28 4.696 -0.417 14.012 1.00 0.00 H new ATOM 0 HE1 HIS A 28 8.305 -1.612 12.111 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.790 0.409 12.614 1.00 0.00 H new ATOM 440 N SER A 29 3.130 -5.994 15.079 1.00 0.00 N ATOM 441 CA SER A 29 2.279 -6.779 15.962 1.00 0.00 C ATOM 442 C SER A 29 1.899 -6.002 17.233 1.00 0.00 C ATOM 443 O SER A 29 2.569 -6.095 18.263 1.00 0.00 O ATOM 444 CB SER A 29 2.970 -8.095 16.324 1.00 0.00 C ATOM 445 OG SER A 29 3.443 -8.779 15.179 1.00 0.00 O ATOM 0 H SER A 29 4.055 -6.404 14.951 1.00 0.00 H new ATOM 0 HA SER A 29 1.354 -6.995 15.427 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.804 -7.893 16.996 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.272 -8.734 16.865 1.00 0.00 H new ATOM 0 HG SER A 29 4.417 -8.871 15.232 1.00 0.00 H new ATOM 451 N ALA A 30 0.812 -5.235 17.158 1.00 0.00 N ATOM 452 CA ALA A 30 0.158 -4.593 18.286 1.00 0.00 C ATOM 453 C ALA A 30 -1.392 -4.648 18.246 1.00 0.00 C ATOM 454 O ALA A 30 -1.987 -3.829 18.946 1.00 0.00 O ATOM 455 CB ALA A 30 0.698 -3.157 18.413 1.00 0.00 C ATOM 0 H ALA A 30 0.348 -5.039 16.271 1.00 0.00 H new ATOM 0 HA ALA A 30 0.405 -5.161 19.183 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.217 -2.661 19.256 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.775 -3.186 18.576 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.485 -2.606 17.497 1.00 0.00 H new ATOM 461 N PRO A 31 -2.102 -5.532 17.495 1.00 0.00 N ATOM 462 CA PRO A 31 -3.556 -5.653 17.622 1.00 0.00 C ATOM 463 C PRO A 31 -4.049 -5.663 19.075 1.00 0.00 C ATOM 464 O PRO A 31 -3.451 -6.310 19.942 1.00 0.00 O ATOM 465 CB PRO A 31 -3.942 -6.950 16.914 1.00 0.00 C ATOM 466 CG PRO A 31 -2.883 -7.101 15.834 1.00 0.00 C ATOM 467 CD PRO A 31 -1.646 -6.464 16.463 1.00 0.00 C ATOM 0 HA PRO A 31 -4.029 -4.779 17.174 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -3.938 -7.797 17.600 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.943 -6.890 16.487 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.712 -8.148 15.582 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.172 -6.594 14.913 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.000 -7.228 16.896 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.059 -5.941 15.708 1.00 0.00 H new ATOM 561 N GLU A 39 6.429 -8.930 15.487 1.00 0.00 N ATOM 562 CA GLU A 39 6.966 -8.931 14.131 1.00 0.00 C ATOM 563 C GLU A 39 6.309 -7.785 13.345 1.00 0.00 C ATOM 564 O GLU A 39 5.615 -6.946 13.932 1.00 0.00 O ATOM 565 CB GLU A 39 6.791 -10.324 13.488 1.00 0.00 C ATOM 566 CG GLU A 39 5.369 -10.898 13.539 1.00 0.00 C ATOM 567 CD GLU A 39 5.282 -12.250 12.809 1.00 0.00 C ATOM 568 OE1 GLU A 39 5.505 -13.307 13.444 1.00 0.00 O ATOM 569 OE2 GLU A 39 4.980 -12.277 11.595 1.00 0.00 O ATOM 0 HA GLU A 39 8.040 -8.747 14.129 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.104 -10.266 12.446 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.465 -11.022 13.985 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.063 -11.023 14.578 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.674 -10.192 13.085 1.00 0.00 H new ATOM 576 N SER A 40 6.554 -7.720 12.034 1.00 0.00 N ATOM 577 CA SER A 40 6.100 -6.635 11.174 1.00 0.00 C ATOM 578 C SER A 40 5.679 -7.181 9.805 1.00 0.00 C ATOM 579 O SER A 40 6.090 -8.273 9.398 1.00 0.00 O ATOM 580 CB SER A 40 7.202 -5.577 11.017 1.00 0.00 C ATOM 581 OG SER A 40 7.829 -5.242 12.248 1.00 0.00 O ATOM 0 H SER A 40 7.084 -8.435 11.536 1.00 0.00 H new ATOM 0 HA SER A 40 5.235 -6.163 11.639 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.955 -5.945 10.320 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.774 -4.677 10.577 1.00 0.00 H new ATOM 0 HG SER A 40 7.484 -4.382 12.568 1.00 0.00 H new ATOM 587 N LYS A 41 4.847 -6.413 9.104 1.00 0.00 N ATOM 588 CA LYS A 41 4.219 -6.720 7.820 1.00 0.00 C ATOM 589 C LYS A 41 4.046 -5.378 7.105 1.00 0.00 C ATOM 590 O LYS A 41 4.161 -4.326 7.736 1.00 0.00 O ATOM 591 CB LYS A 41 2.895 -7.461 8.124 1.00 0.00 C ATOM 592 CG LYS A 41 1.941 -7.817 6.963 1.00 0.00 C ATOM 593 CD LYS A 41 0.666 -6.954 7.005 1.00 0.00 C ATOM 594 CE LYS A 41 -0.348 -7.202 5.874 1.00 0.00 C ATOM 595 NZ LYS A 41 -0.853 -8.591 5.783 1.00 0.00 N ATOM 0 H LYS A 41 4.574 -5.491 9.444 1.00 0.00 H new ATOM 0 HA LYS A 41 4.798 -7.373 7.167 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.150 -8.390 8.634 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.334 -6.851 8.833 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.452 -7.670 6.011 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.672 -8.872 7.021 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.166 -7.123 7.959 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.959 -5.904 6.981 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.196 -6.531 6.012 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.117 -6.937 4.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.873 -8.577 5.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.357 -9.091 5.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.684 -9.082 6.684 1.00 0.00 H new ATOM 609 N GLU A 42 3.760 -5.378 5.809 1.00 0.00 N ATOM 610 CA GLU A 42 3.464 -4.170 5.055 1.00 0.00 C ATOM 611 C GLU A 42 2.117 -4.352 4.367 1.00 0.00 C ATOM 612 O GLU A 42 1.747 -5.475 4.009 1.00 0.00 O ATOM 613 CB GLU A 42 4.548 -3.868 4.006 1.00 0.00 C ATOM 614 CG GLU A 42 5.911 -3.409 4.553 1.00 0.00 C ATOM 615 CD GLU A 42 6.820 -4.519 5.118 1.00 0.00 C ATOM 616 OE1 GLU A 42 6.697 -5.706 4.742 1.00 0.00 O ATOM 617 OE2 GLU A 42 7.725 -4.169 5.909 1.00 0.00 O ATOM 0 H GLU A 42 3.727 -6.228 5.247 1.00 0.00 H new ATOM 0 HA GLU A 42 3.437 -3.326 5.744 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.704 -4.764 3.406 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.170 -3.097 3.335 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.448 -2.899 3.753 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.736 -2.674 5.339 1.00 0.00 H new ATOM 624 N ILE A 43 1.422 -3.241 4.141 1.00 0.00 N ATOM 625 CA ILE A 43 0.181 -3.148 3.393 1.00 0.00 C ATOM 626 C ILE A 43 0.340 -2.077 2.318 1.00 0.00 C ATOM 627 O ILE A 43 1.150 -1.153 2.448 1.00 0.00 O ATOM 628 CB ILE A 43 -1.027 -2.876 4.324 1.00 0.00 C ATOM 629 CG1 ILE A 43 -0.896 -1.573 5.145 1.00 0.00 C ATOM 630 CG2 ILE A 43 -1.217 -4.094 5.229 1.00 0.00 C ATOM 631 CD1 ILE A 43 -2.044 -1.300 6.128 1.00 0.00 C ATOM 0 H ILE A 43 1.729 -2.335 4.495 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.029 -4.102 2.910 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.909 -2.722 3.702 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.039 -1.607 5.704 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.823 -0.733 4.454 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.064 -3.924 5.894 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.407 -4.976 4.617 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.316 -4.251 5.822 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.858 -0.364 6.654 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.983 -1.227 5.579 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.107 -2.115 6.849 1.00 0.00 H new ATOM 643 N VAL A 44 -0.453 -2.216 1.262 1.00 0.00 N ATOM 644 CA VAL A 44 -0.388 -1.410 0.056 1.00 0.00 C ATOM 645 C VAL A 44 -1.811 -0.908 -0.152 1.00 0.00 C ATOM 646 O VAL A 44 -2.726 -1.717 -0.331 1.00 0.00 O ATOM 647 CB VAL A 44 0.112 -2.299 -1.105 1.00 0.00 C ATOM 648 CG1 VAL A 44 0.163 -1.561 -2.447 1.00 0.00 C ATOM 649 CG2 VAL A 44 1.507 -2.884 -0.836 1.00 0.00 C ATOM 0 H VAL A 44 -1.187 -2.923 1.224 1.00 0.00 H new ATOM 0 HA VAL A 44 0.301 -0.568 0.116 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.622 -3.103 -1.165 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.522 -2.239 -3.222 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.835 -1.209 -2.707 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.839 -0.709 -2.368 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.812 -3.501 -1.681 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.222 -2.072 -0.702 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.478 -3.495 0.066 1.00 0.00 H new ATOM 659 N ARG A 45 -2.019 0.408 -0.076 1.00 0.00 N ATOM 660 CA ARG A 45 -3.343 1.018 -0.188 1.00 0.00 C ATOM 661 C ARG A 45 -3.214 2.215 -1.107 1.00 0.00 C ATOM 662 O ARG A 45 -2.229 2.946 -1.006 1.00 0.00 O ATOM 663 CB ARG A 45 -3.867 1.458 1.196 1.00 0.00 C ATOM 664 CG ARG A 45 -3.980 0.336 2.244 1.00 0.00 C ATOM 665 CD ARG A 45 -4.963 -0.779 1.876 1.00 0.00 C ATOM 666 NE ARG A 45 -4.840 -1.930 2.793 1.00 0.00 N ATOM 667 CZ ARG A 45 -5.389 -2.044 4.009 1.00 0.00 C ATOM 668 NH1 ARG A 45 -6.208 -1.103 4.476 1.00 0.00 N ATOM 669 NH2 ARG A 45 -5.105 -3.103 4.760 1.00 0.00 N ATOM 0 H ARG A 45 -1.268 1.084 0.066 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.056 0.298 -0.589 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -3.207 2.232 1.587 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.849 1.912 1.067 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.994 -0.102 2.397 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.285 0.773 3.195 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.982 -0.393 1.909 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -4.778 -1.106 0.853 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.280 -2.718 2.467 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -6.423 -0.285 3.906 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -6.620 -1.200 5.404 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -4.473 -3.822 4.409 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -5.519 -3.197 5.687 1.00 0.00 H new ATOM 683 N GLY A 46 -4.188 2.436 -1.982 1.00 0.00 N ATOM 684 CA GLY A 46 -4.183 3.563 -2.894 1.00 0.00 C ATOM 685 C GLY A 46 -5.518 3.662 -3.597 1.00 0.00 C ATOM 686 O GLY A 46 -6.118 2.636 -3.924 1.00 0.00 O ATOM 0 H GLY A 46 -5.005 1.833 -2.076 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.981 4.484 -2.347 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.384 3.446 -3.626 1.00 0.00 H new ATOM 690 N TYR A 47 -5.986 4.893 -3.797 1.00 0.00 N ATOM 691 CA TYR A 47 -7.329 5.158 -4.288 1.00 0.00 C ATOM 692 C TYR A 47 -7.360 6.523 -4.951 1.00 0.00 C ATOM 693 O TYR A 47 -6.675 7.445 -4.503 1.00 0.00 O ATOM 694 CB TYR A 47 -8.325 5.183 -3.121 1.00 0.00 C ATOM 695 CG TYR A 47 -8.389 3.914 -2.295 1.00 0.00 C ATOM 696 CD1 TYR A 47 -7.536 3.765 -1.186 1.00 0.00 C ATOM 697 CD2 TYR A 47 -9.309 2.901 -2.620 1.00 0.00 C ATOM 698 CE1 TYR A 47 -7.605 2.607 -0.394 1.00 0.00 C ATOM 699 CE2 TYR A 47 -9.391 1.741 -1.830 1.00 0.00 C ATOM 700 CZ TYR A 47 -8.539 1.593 -0.709 1.00 0.00 C ATOM 701 OH TYR A 47 -8.632 0.502 0.101 1.00 0.00 O ATOM 0 H TYR A 47 -5.439 5.735 -3.621 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.600 4.374 -4.995 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.067 6.012 -2.463 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.319 5.389 -3.518 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.827 4.543 -0.943 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.954 3.015 -3.479 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.946 2.491 0.454 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.101 0.966 -2.077 1.00 0.00 H new ATOM 0 HH TYR A 47 -9.318 -0.105 -0.246 1.00 0.00 H new ATOM 711 N LYS A 48 -8.217 6.686 -5.960 1.00 0.00 N ATOM 712 CA LYS A 48 -8.443 7.975 -6.609 1.00 0.00 C ATOM 713 C LYS A 48 -8.929 9.032 -5.611 1.00 0.00 C ATOM 714 O LYS A 48 -8.577 10.201 -5.766 1.00 0.00 O ATOM 715 CB LYS A 48 -9.410 7.782 -7.789 1.00 0.00 C ATOM 716 CG LYS A 48 -9.507 9.026 -8.686 1.00 0.00 C ATOM 717 CD LYS A 48 -10.376 8.741 -9.922 1.00 0.00 C ATOM 718 CE LYS A 48 -10.435 9.933 -10.889 1.00 0.00 C ATOM 719 NZ LYS A 48 -11.171 11.100 -10.336 1.00 0.00 N ATOM 0 H LYS A 48 -8.774 5.926 -6.350 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.499 8.355 -7.000 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.081 6.932 -8.387 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.401 7.538 -7.405 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.932 9.855 -8.121 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.509 9.332 -9.000 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.981 7.871 -10.447 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.386 8.488 -9.601 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.420 10.238 -11.141 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.912 9.617 -11.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.176 11.870 -11.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.150 10.823 -10.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.703 11.425 -9.466 1.00 0.00 H new ATOM 733 N TRP A 49 -9.698 8.649 -4.580 1.00 0.00 N ATOM 734 CA TRP A 49 -10.147 9.600 -3.566 1.00 0.00 C ATOM 735 C TRP A 49 -8.985 10.173 -2.743 1.00 0.00 C ATOM 736 O TRP A 49 -9.092 11.304 -2.265 1.00 0.00 O ATOM 737 CB TRP A 49 -11.276 9.024 -2.689 1.00 0.00 C ATOM 738 CG TRP A 49 -11.139 7.648 -2.090 1.00 0.00 C ATOM 739 CD1 TRP A 49 -11.874 6.572 -2.454 1.00 0.00 C ATOM 740 CD2 TRP A 49 -10.311 7.184 -0.974 1.00 0.00 C ATOM 741 NE1 TRP A 49 -11.571 5.493 -1.648 1.00 0.00 N ATOM 742 CE2 TRP A 49 -10.610 5.811 -0.713 1.00 0.00 C ATOM 743 CE3 TRP A 49 -9.336 7.778 -0.149 1.00 0.00 C ATOM 744 CZ2 TRP A 49 -9.961 5.073 0.292 1.00 0.00 C ATOM 745 CZ3 TRP A 49 -8.636 7.034 0.820 1.00 0.00 C ATOM 746 CH2 TRP A 49 -8.931 5.677 1.032 1.00 0.00 C ATOM 0 H TRP A 49 -10.017 7.692 -4.432 1.00 0.00 H new ATOM 0 HA TRP A 49 -10.578 10.447 -4.100 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -11.435 9.721 -1.866 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -12.186 9.027 -3.289 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.594 6.559 -3.259 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -12.005 4.574 -1.734 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -9.120 8.830 -0.263 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -10.251 4.052 0.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -7.865 7.511 1.406 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -8.372 5.104 1.757 1.00 0.00 H new ATOM 757 N ALA A 50 -7.866 9.451 -2.596 1.00 0.00 N ATOM 758 CA ALA A 50 -6.682 9.958 -1.922 1.00 0.00 C ATOM 759 C ALA A 50 -5.839 10.767 -2.909 1.00 0.00 C ATOM 760 O ALA A 50 -4.787 10.324 -3.369 1.00 0.00 O ATOM 761 CB ALA A 50 -5.893 8.831 -1.265 1.00 0.00 C ATOM 0 H ALA A 50 -7.765 8.498 -2.945 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.985 10.624 -1.114 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.014 9.243 -0.770 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.521 8.328 -0.530 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.579 8.115 -2.025 1.00 0.00 H new ATOM 767 N GLU A 51 -6.312 11.966 -3.246 1.00 0.00 N ATOM 768 CA GLU A 51 -5.596 12.897 -4.119 1.00 0.00 C ATOM 769 C GLU A 51 -4.285 13.402 -3.479 1.00 0.00 C ATOM 770 O GLU A 51 -3.482 14.055 -4.147 1.00 0.00 O ATOM 771 CB GLU A 51 -6.507 14.084 -4.478 1.00 0.00 C ATOM 772 CG GLU A 51 -7.767 13.657 -5.244 1.00 0.00 C ATOM 773 CD GLU A 51 -8.589 14.876 -5.700 1.00 0.00 C ATOM 774 OE1 GLU A 51 -8.362 15.385 -6.822 1.00 0.00 O ATOM 775 OE2 GLU A 51 -9.485 15.330 -4.953 1.00 0.00 O ATOM 0 H GLU A 51 -7.210 12.322 -2.919 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.325 12.358 -5.027 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.801 14.600 -3.564 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.945 14.798 -5.081 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.482 13.063 -6.112 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.382 13.019 -4.609 1.00 0.00 H new ATOM 782 N TYR A 52 -4.047 13.099 -2.200 1.00 0.00 N ATOM 783 CA TYR A 52 -2.853 13.424 -1.432 1.00 0.00 C ATOM 784 C TYR A 52 -2.511 12.186 -0.599 1.00 0.00 C ATOM 785 O TYR A 52 -3.413 11.452 -0.179 1.00 0.00 O ATOM 786 CB TYR A 52 -3.046 14.694 -0.582 1.00 0.00 C ATOM 787 CG TYR A 52 -4.440 14.972 -0.050 1.00 0.00 C ATOM 788 CD1 TYR A 52 -5.420 15.473 -0.924 1.00 0.00 C ATOM 789 CD2 TYR A 52 -4.745 14.783 1.310 1.00 0.00 C ATOM 790 CE1 TYR A 52 -6.715 15.759 -0.457 1.00 0.00 C ATOM 791 CE2 TYR A 52 -6.033 15.080 1.792 1.00 0.00 C ATOM 792 CZ TYR A 52 -7.027 15.564 0.909 1.00 0.00 C ATOM 793 OH TYR A 52 -8.272 15.848 1.387 1.00 0.00 O ATOM 0 H TYR A 52 -4.730 12.587 -1.642 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.018 13.664 -2.090 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.366 14.637 0.268 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.737 15.551 -1.181 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -5.176 15.640 -1.963 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.989 14.409 1.985 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -7.468 16.126 -1.138 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -6.263 14.938 2.838 1.00 0.00 H new ATOM 0 HH TYR A 52 -8.306 15.653 2.347 1.00 0.00 H new ATOM 803 N HIS A 53 -1.223 11.909 -0.391 1.00 0.00 N ATOM 804 CA HIS A 53 -0.774 10.664 0.225 1.00 0.00 C ATOM 805 C HIS A 53 -1.120 10.663 1.709 1.00 0.00 C ATOM 806 O HIS A 53 -1.439 9.608 2.266 1.00 0.00 O ATOM 807 CB HIS A 53 0.736 10.483 0.028 1.00 0.00 C ATOM 808 CG HIS A 53 1.144 10.307 -1.414 1.00 0.00 C ATOM 809 ND1 HIS A 53 1.755 11.268 -2.227 1.00 0.00 N ATOM 810 CD2 HIS A 53 1.006 9.156 -2.127 1.00 0.00 C ATOM 811 CE1 HIS A 53 1.991 10.663 -3.401 1.00 0.00 C ATOM 812 NE2 HIS A 53 1.542 9.399 -3.369 1.00 0.00 N ATOM 0 H HIS A 53 -0.464 12.542 -0.645 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.285 9.830 -0.256 1.00 0.00 H new ATOM 0 HB2 HIS A 53 1.253 11.350 0.439 1.00 0.00 H new ATOM 0 HB3 HIS A 53 1.066 9.615 0.598 1.00 0.00 H new ATOM 0 HD2 HIS A 53 0.562 8.233 -1.784 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.473 11.126 -4.249 1.00 0.00 H new ATOM 0 HE2 HIS A 53 1.590 8.730 -4.138 1.00 0.00 H new ATOM 820 N ALA A 54 -1.134 11.842 2.338 1.00 0.00 N ATOM 821 CA ALA A 54 -1.618 11.995 3.701 1.00 0.00 C ATOM 822 C ALA A 54 -3.049 11.475 3.882 1.00 0.00 C ATOM 823 O ALA A 54 -3.384 11.066 4.993 1.00 0.00 O ATOM 824 CB ALA A 54 -1.525 13.462 4.134 1.00 0.00 C ATOM 0 H ALA A 54 -0.810 12.711 1.913 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.977 11.386 4.338 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.890 13.564 5.156 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.487 13.791 4.085 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.132 14.077 3.469 1.00 0.00 H new ATOM 830 N ASP A 55 -3.892 11.467 2.840 1.00 0.00 N ATOM 831 CA ASP A 55 -5.286 11.051 2.993 1.00 0.00 C ATOM 832 C ASP A 55 -5.375 9.557 3.294 1.00 0.00 C ATOM 833 O ASP A 55 -6.027 9.152 4.258 1.00 0.00 O ATOM 834 CB ASP A 55 -6.114 11.347 1.738 1.00 0.00 C ATOM 835 CG ASP A 55 -7.610 11.299 2.082 1.00 0.00 C ATOM 836 OD1 ASP A 55 -8.095 12.186 2.820 1.00 0.00 O ATOM 837 OD2 ASP A 55 -8.308 10.380 1.608 1.00 0.00 O ATOM 0 H ASP A 55 -3.633 11.742 1.892 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.692 11.625 3.826 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.853 12.328 1.342 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.886 10.618 0.960 1.00 0.00 H new ATOM 842 N ILE A 56 -4.671 8.740 2.500 1.00 0.00 N ATOM 843 CA ILE A 56 -4.591 7.304 2.725 1.00 0.00 C ATOM 844 C ILE A 56 -3.823 7.026 4.008 1.00 0.00 C ATOM 845 O ILE A 56 -4.250 6.147 4.750 1.00 0.00 O ATOM 846 CB ILE A 56 -4.000 6.493 1.537 1.00 0.00 C ATOM 847 CG1 ILE A 56 -3.034 7.268 0.601 1.00 0.00 C ATOM 848 CG2 ILE A 56 -5.143 5.757 0.817 1.00 0.00 C ATOM 849 CD1 ILE A 56 -2.821 6.641 -0.784 1.00 0.00 C ATOM 0 H ILE A 56 -4.145 9.062 1.688 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.619 6.954 2.818 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.317 5.754 1.956 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.416 8.280 0.469 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.066 7.355 1.095 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.738 5.185 -0.018 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.637 5.081 1.515 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.865 6.483 0.444 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.131 7.257 -1.360 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.405 5.640 -0.670 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.776 6.580 -1.306 1.00 0.00 H new ATOM 861 N TYR A 57 -2.736 7.747 4.308 1.00 0.00 N ATOM 862 CA TYR A 57 -2.010 7.459 5.537 1.00 0.00 C ATOM 863 C TYR A 57 -2.899 7.706 6.758 1.00 0.00 C ATOM 864 O TYR A 57 -2.963 6.847 7.634 1.00 0.00 O ATOM 865 CB TYR A 57 -0.690 8.232 5.629 1.00 0.00 C ATOM 866 CG TYR A 57 0.118 7.867 6.866 1.00 0.00 C ATOM 867 CD1 TYR A 57 0.424 6.517 7.138 1.00 0.00 C ATOM 868 CD2 TYR A 57 0.540 8.865 7.766 1.00 0.00 C ATOM 869 CE1 TYR A 57 1.151 6.164 8.287 1.00 0.00 C ATOM 870 CE2 TYR A 57 1.279 8.524 8.913 1.00 0.00 C ATOM 871 CZ TYR A 57 1.594 7.169 9.175 1.00 0.00 C ATOM 872 OH TYR A 57 2.324 6.816 10.270 1.00 0.00 O ATOM 0 H TYR A 57 -2.356 8.503 3.739 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.743 6.402 5.520 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -0.094 8.033 4.739 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -0.900 9.302 5.639 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.096 5.747 6.456 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.294 9.899 7.574 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.371 5.126 8.491 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.606 9.296 9.594 1.00 0.00 H new ATOM 0 HH TYR A 57 2.555 7.619 10.782 1.00 0.00 H new ATOM 882 N ASP A 58 -3.640 8.817 6.801 1.00 0.00 N ATOM 883 CA ASP A 58 -4.537 9.116 7.913 1.00 0.00 C ATOM 884 C ASP A 58 -5.642 8.065 8.036 1.00 0.00 C ATOM 885 O ASP A 58 -5.875 7.544 9.126 1.00 0.00 O ATOM 886 CB ASP A 58 -5.156 10.507 7.753 1.00 0.00 C ATOM 887 CG ASP A 58 -6.147 10.790 8.895 1.00 0.00 C ATOM 888 OD1 ASP A 58 -5.701 11.091 10.025 1.00 0.00 O ATOM 889 OD2 ASP A 58 -7.375 10.739 8.665 1.00 0.00 O ATOM 0 H ASP A 58 -3.633 9.528 6.070 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.942 9.096 8.826 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.371 11.263 7.749 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.669 10.575 6.793 1.00 0.00 H new ATOM 894 N LYS A 59 -6.294 7.713 6.922 1.00 0.00 N ATOM 895 CA LYS A 59 -7.372 6.723 6.902 1.00 0.00 C ATOM 896 C LYS A 59 -6.865 5.354 7.343 1.00 0.00 C ATOM 897 O LYS A 59 -7.432 4.750 8.254 1.00 0.00 O ATOM 898 CB LYS A 59 -7.978 6.705 5.488 1.00 0.00 C ATOM 899 CG LYS A 59 -9.009 5.585 5.255 1.00 0.00 C ATOM 900 CD LYS A 59 -10.141 6.092 4.354 1.00 0.00 C ATOM 901 CE LYS A 59 -11.064 4.943 3.929 1.00 0.00 C ATOM 902 NZ LYS A 59 -12.136 5.402 3.010 1.00 0.00 N ATOM 0 H LYS A 59 -6.086 8.110 6.006 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.152 6.992 7.614 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.454 7.667 5.297 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.173 6.598 4.761 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.525 4.724 4.794 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.415 5.250 6.209 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.719 6.850 4.882 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.720 6.571 3.470 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.475 4.167 3.440 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.513 4.493 4.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.956 4.767 3.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.421 6.369 3.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.783 5.391 2.032 1.00 0.00 H new ATOM 916 N VAL A 60 -5.808 4.858 6.707 1.00 0.00 N ATOM 917 CA VAL A 60 -5.344 3.495 6.900 1.00 0.00 C ATOM 918 C VAL A 60 -4.668 3.384 8.263 1.00 0.00 C ATOM 919 O VAL A 60 -5.018 2.482 9.020 1.00 0.00 O ATOM 920 CB VAL A 60 -4.429 3.085 5.729 1.00 0.00 C ATOM 921 CG1 VAL A 60 -3.856 1.674 5.932 1.00 0.00 C ATOM 922 CG2 VAL A 60 -5.197 3.122 4.395 1.00 0.00 C ATOM 0 H VAL A 60 -5.250 5.394 6.042 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.180 2.796 6.899 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.608 3.802 5.700 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.216 1.417 5.088 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.272 1.647 6.852 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.673 0.956 6.000 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.531 2.829 3.583 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.039 2.431 4.441 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.565 4.132 4.215 1.00 0.00 H new ATOM 932 N SER A 61 -3.755 4.293 8.623 1.00 0.00 N ATOM 933 CA SER A 61 -3.113 4.245 9.929 1.00 0.00 C ATOM 934 C SER A 61 -4.160 4.444 11.028 1.00 0.00 C ATOM 935 O SER A 61 -4.067 3.789 12.063 1.00 0.00 O ATOM 936 CB SER A 61 -1.973 5.268 10.011 1.00 0.00 C ATOM 937 OG SER A 61 -1.111 4.975 11.097 1.00 0.00 O ATOM 0 H SER A 61 -3.450 5.064 8.029 1.00 0.00 H new ATOM 0 HA SER A 61 -2.662 3.264 10.077 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.407 5.263 9.080 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.385 6.270 10.128 1.00 0.00 H new ATOM 0 HG SER A 61 -0.390 5.638 11.131 1.00 0.00 H new ATOM 943 N GLY A 62 -5.191 5.266 10.800 1.00 0.00 N ATOM 944 CA GLY A 62 -6.312 5.403 11.715 1.00 0.00 C ATOM 945 C GLY A 62 -7.021 4.068 11.922 1.00 0.00 C ATOM 946 O GLY A 62 -7.240 3.668 13.063 1.00 0.00 O ATOM 0 H GLY A 62 -5.264 5.854 9.970 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.958 5.782 12.674 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.017 6.136 11.323 1.00 0.00 H new ATOM 950 N ASP A 63 -7.349 3.342 10.848 1.00 0.00 N ATOM 951 CA ASP A 63 -7.998 2.037 10.960 1.00 0.00 C ATOM 952 C ASP A 63 -7.107 1.026 11.678 1.00 0.00 C ATOM 953 O ASP A 63 -7.576 0.334 12.578 1.00 0.00 O ATOM 954 CB ASP A 63 -8.415 1.490 9.594 1.00 0.00 C ATOM 955 CG ASP A 63 -9.202 0.182 9.782 1.00 0.00 C ATOM 956 OD1 ASP A 63 -10.439 0.250 9.969 1.00 0.00 O ATOM 957 OD2 ASP A 63 -8.596 -0.910 9.734 1.00 0.00 O ATOM 0 H ASP A 63 -7.174 3.640 9.888 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.898 2.188 11.556 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.028 2.223 9.069 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.534 1.311 8.978 1.00 0.00 H new ATOM 962 N MET A 64 -5.813 0.985 11.349 1.00 0.00 N ATOM 963 CA MET A 64 -4.855 0.110 12.018 1.00 0.00 C ATOM 964 C MET A 64 -4.808 0.427 13.511 1.00 0.00 C ATOM 965 O MET A 64 -4.910 -0.476 14.338 1.00 0.00 O ATOM 966 CB MET A 64 -3.459 0.266 11.396 1.00 0.00 C ATOM 967 CG MET A 64 -3.346 -0.211 9.941 1.00 0.00 C ATOM 968 SD MET A 64 -3.656 -1.975 9.686 1.00 0.00 S ATOM 969 CE MET A 64 -5.341 -1.850 9.043 1.00 0.00 C ATOM 0 H MET A 64 -5.403 1.558 10.611 1.00 0.00 H new ATOM 0 HA MET A 64 -5.177 -0.923 11.888 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.171 1.316 11.443 1.00 0.00 H new ATOM 0 HB3 MET A 64 -2.742 -0.288 12.002 1.00 0.00 H new ATOM 0 HG2 MET A 64 -4.050 0.357 9.333 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.346 0.023 9.575 1.00 0.00 H new ATOM 0 HE1 MET A 64 -5.771 -2.847 8.954 1.00 0.00 H new ATOM 0 HE2 MET A 64 -5.947 -1.253 9.724 1.00 0.00 H new ATOM 0 HE3 MET A 64 -5.322 -1.374 8.063 1.00 0.00 H new ATOM 979 N GLN A 65 -4.710 1.704 13.876 1.00 0.00 N ATOM 980 CA GLN A 65 -4.674 2.139 15.259 1.00 0.00 C ATOM 981 C GLN A 65 -5.995 1.828 15.975 1.00 0.00 C ATOM 982 O GLN A 65 -5.966 1.478 17.154 1.00 0.00 O ATOM 983 CB GLN A 65 -4.318 3.629 15.298 1.00 0.00 C ATOM 984 CG GLN A 65 -2.827 3.871 14.995 1.00 0.00 C ATOM 985 CD GLN A 65 -2.516 5.365 14.887 1.00 0.00 C ATOM 986 OE1 GLN A 65 -2.680 6.121 15.843 1.00 0.00 O ATOM 987 NE2 GLN A 65 -2.059 5.838 13.738 1.00 0.00 N ATOM 0 H GLN A 65 -4.653 2.471 13.206 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.906 1.587 15.801 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.928 4.167 14.572 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.559 4.034 16.281 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.217 3.427 15.782 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.558 3.373 14.063 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.923 5.210 12.946 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.843 6.830 13.645 1.00 0.00 H new ATOM 996 N LYS A 66 -7.142 1.864 15.285 1.00 0.00 N ATOM 997 CA LYS A 66 -8.415 1.389 15.836 1.00 0.00 C ATOM 998 C LYS A 66 -8.394 -0.128 16.040 1.00 0.00 C ATOM 999 O LYS A 66 -8.931 -0.597 17.045 1.00 0.00 O ATOM 1000 CB LYS A 66 -9.596 1.851 14.962 1.00 0.00 C ATOM 1001 CG LYS A 66 -9.878 3.352 15.168 1.00 0.00 C ATOM 1002 CD LYS A 66 -11.031 3.895 14.309 1.00 0.00 C ATOM 1003 CE LYS A 66 -10.695 3.936 12.809 1.00 0.00 C ATOM 1004 NZ LYS A 66 -11.791 4.541 12.009 1.00 0.00 N ATOM 0 H LYS A 66 -7.213 2.222 14.333 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.555 1.835 16.821 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.374 1.659 13.912 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.486 1.272 15.210 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -10.108 3.527 16.219 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.973 3.916 14.941 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.914 3.274 14.461 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.286 4.900 14.646 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -9.779 4.507 12.658 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.502 2.924 12.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.524 4.549 11.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.660 3.982 12.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.958 5.516 12.331 1.00 0.00 H new ATOM 1018 N GLN A 67 -7.740 -0.909 15.169 1.00 0.00 N ATOM 1019 CA GLN A 67 -7.491 -2.333 15.425 1.00 0.00 C ATOM 1020 C GLN A 67 -6.475 -2.527 16.570 1.00 0.00 C ATOM 1021 O GLN A 67 -6.375 -3.623 17.119 1.00 0.00 O ATOM 1022 CB GLN A 67 -7.029 -3.062 14.147 1.00 0.00 C ATOM 1023 CG GLN A 67 -8.109 -3.084 13.051 1.00 0.00 C ATOM 1024 CD GLN A 67 -7.710 -3.950 11.852 1.00 0.00 C ATOM 1025 OE1 GLN A 67 -7.313 -5.103 11.999 1.00 0.00 O ATOM 1026 NE2 GLN A 67 -7.821 -3.446 10.633 1.00 0.00 N ATOM 0 H GLN A 67 -7.373 -0.576 14.278 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.436 -2.778 15.738 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -6.134 -2.575 13.759 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -6.751 -4.086 14.398 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -9.042 -3.459 13.472 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.299 -2.066 12.712 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.150 -2.489 10.505 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -7.577 -4.015 9.822 1.00 0.00 H new ATOM 1035 N GLY A 68 -5.730 -1.485 16.949 1.00 0.00 N ATOM 1036 CA GLY A 68 -4.759 -1.453 18.041 1.00 0.00 C ATOM 1037 C GLY A 68 -3.318 -1.376 17.524 1.00 0.00 C ATOM 1038 O GLY A 68 -2.416 -0.990 18.268 1.00 0.00 O ATOM 0 H GLY A 68 -5.794 -0.587 16.470 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.961 -0.594 18.681 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.876 -2.345 18.657 1.00 0.00 H new ATOM 1042 N CYS A 69 -3.116 -1.734 16.253 1.00 0.00 N ATOM 1043 CA CYS A 69 -1.836 -1.828 15.571 1.00 0.00 C ATOM 1044 C CYS A 69 -1.047 -0.513 15.600 1.00 0.00 C ATOM 1045 O CYS A 69 -1.604 0.570 15.791 1.00 0.00 O ATOM 1046 CB CYS A 69 -2.111 -2.242 14.123 1.00 0.00 C ATOM 1047 SG CYS A 69 -2.909 -3.869 14.056 1.00 0.00 S ATOM 0 H CYS A 69 -3.894 -1.980 15.641 1.00 0.00 H new ATOM 0 HA CYS A 69 -1.220 -2.564 16.088 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -2.749 -1.500 13.643 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.176 -2.268 13.564 1.00 0.00 H new ATOM 0 HG CYS A 69 -3.132 -4.192 12.817 1.00 0.00 H new ATOM 1053 N ASP A 70 0.253 -0.611 15.319 1.00 0.00 N ATOM 1054 CA ASP A 70 1.179 0.516 15.225 1.00 0.00 C ATOM 1055 C ASP A 70 1.808 0.459 13.837 1.00 0.00 C ATOM 1056 O ASP A 70 2.159 -0.637 13.387 1.00 0.00 O ATOM 1057 CB ASP A 70 2.233 0.408 16.329 1.00 0.00 C ATOM 1058 CG ASP A 70 3.274 1.533 16.211 1.00 0.00 C ATOM 1059 OD1 ASP A 70 2.883 2.721 16.178 1.00 0.00 O ATOM 1060 OD2 ASP A 70 4.489 1.236 16.179 1.00 0.00 O ATOM 0 H ASP A 70 0.705 -1.509 15.145 1.00 0.00 H new ATOM 0 HA ASP A 70 0.671 1.471 15.360 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.749 0.457 17.304 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.730 -0.560 16.268 1.00 0.00 H new ATOM 1065 N CYS A 71 1.942 1.608 13.166 1.00 0.00 N ATOM 1066 CA CYS A 71 2.295 1.686 11.750 1.00 0.00 C ATOM 1067 C CYS A 71 3.221 2.857 11.415 1.00 0.00 C ATOM 1068 O CYS A 71 3.344 3.800 12.200 1.00 0.00 O ATOM 1069 CB CYS A 71 1.002 1.887 10.946 1.00 0.00 C ATOM 1070 SG CYS A 71 -0.143 0.512 11.190 1.00 0.00 S ATOM 0 H CYS A 71 1.806 2.521 13.600 1.00 0.00 H new ATOM 0 HA CYS A 71 2.819 0.763 11.502 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.524 2.819 11.249 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.241 1.981 9.887 1.00 0.00 H new ATOM 0 HG CYS A 71 -0.770 0.665 12.318 1.00 0.00 H new ATOM 1076 N GLU A 72 3.811 2.828 10.213 1.00 0.00 N ATOM 1077 CA GLU A 72 4.554 3.931 9.627 1.00 0.00 C ATOM 1078 C GLU A 72 4.440 3.832 8.100 1.00 0.00 C ATOM 1079 O GLU A 72 4.648 2.752 7.544 1.00 0.00 O ATOM 1080 CB GLU A 72 6.017 3.812 10.087 1.00 0.00 C ATOM 1081 CG GLU A 72 6.910 4.859 9.420 1.00 0.00 C ATOM 1082 CD GLU A 72 8.302 4.924 10.073 1.00 0.00 C ATOM 1083 OE1 GLU A 72 9.200 4.140 9.693 1.00 0.00 O ATOM 1084 OE2 GLU A 72 8.519 5.775 10.966 1.00 0.00 O ATOM 0 H GLU A 72 3.778 2.006 9.609 1.00 0.00 H new ATOM 0 HA GLU A 72 4.162 4.898 9.941 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.068 3.928 11.170 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.391 2.815 9.855 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.016 4.624 8.361 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.433 5.837 9.483 1.00 0.00 H new ATOM 1091 N CYS A 73 4.110 4.926 7.405 1.00 0.00 N ATOM 1092 CA CYS A 73 4.204 4.976 5.948 1.00 0.00 C ATOM 1093 C CYS A 73 5.698 4.966 5.592 1.00 0.00 C ATOM 1094 O CYS A 73 6.437 5.891 5.939 1.00 0.00 O ATOM 1095 CB CYS A 73 3.457 6.193 5.362 1.00 0.00 C ATOM 1096 SG CYS A 73 3.767 7.693 6.338 1.00 0.00 S ATOM 0 H CYS A 73 3.775 5.789 7.833 1.00 0.00 H new ATOM 0 HA CYS A 73 3.713 4.111 5.502 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.774 6.355 4.332 1.00 0.00 H new ATOM 0 HB3 CYS A 73 2.387 5.988 5.337 1.00 0.00 H new ATOM 0 HG CYS A 73 3.963 8.699 5.538 1.00 0.00 H new ATOM 1102 N LEU A 74 6.154 3.912 4.911 1.00 0.00 N ATOM 1103 CA LEU A 74 7.516 3.829 4.394 1.00 0.00 C ATOM 1104 C LEU A 74 7.720 4.871 3.287 1.00 0.00 C ATOM 1105 O LEU A 74 8.841 5.338 3.087 1.00 0.00 O ATOM 1106 CB LEU A 74 7.820 2.408 3.881 1.00 0.00 C ATOM 1107 CG LEU A 74 7.746 1.294 4.950 1.00 0.00 C ATOM 1108 CD1 LEU A 74 8.188 -0.044 4.345 1.00 0.00 C ATOM 1109 CD2 LEU A 74 8.614 1.588 6.181 1.00 0.00 C ATOM 0 H LEU A 74 5.585 3.091 4.704 1.00 0.00 H new ATOM 0 HA LEU A 74 8.213 4.044 5.204 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.119 2.170 3.081 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.818 2.403 3.442 1.00 0.00 H new ATOM 0 HG LEU A 74 6.707 1.248 5.277 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.133 -0.823 5.105 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.532 -0.302 3.513 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.214 0.040 3.986 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.521 0.770 6.896 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.656 1.686 5.876 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.283 2.516 6.646 1.00 0.00 H new ATOM 1121 N GLY A 75 6.646 5.261 2.593 1.00 0.00 N ATOM 1122 CA GLY A 75 6.617 6.378 1.664 1.00 0.00 C ATOM 1123 C GLY A 75 5.330 6.343 0.849 1.00 0.00 C ATOM 1124 O GLY A 75 4.448 5.512 1.102 1.00 0.00 O ATOM 0 H GLY A 75 5.746 4.787 2.670 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.686 7.318 2.211 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.480 6.332 0.999 1.00 0.00 H new ATOM 1128 N GLY A 76 5.238 7.227 -0.143 1.00 0.00 N ATOM 1129 CA GLY A 76 4.128 7.285 -1.082 1.00 0.00 C ATOM 1130 C GLY A 76 4.621 7.156 -2.516 1.00 0.00 C ATOM 1131 O GLY A 76 5.816 7.293 -2.792 1.00 0.00 O ATOM 0 H GLY A 76 5.950 7.936 -0.317 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.420 6.486 -0.864 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.593 8.227 -0.961 1.00 0.00 H new ATOM 1135 N GLY A 77 3.686 6.897 -3.423 1.00 0.00 N ATOM 1136 CA GLY A 77 3.928 6.702 -4.840 1.00 0.00 C ATOM 1137 C GLY A 77 2.599 6.712 -5.581 1.00 0.00 C ATOM 1138 O GLY A 77 1.584 7.176 -5.056 1.00 0.00 O ATOM 0 H GLY A 77 2.700 6.815 -3.177 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.577 7.490 -5.222 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.444 5.756 -5.006 1.00 0.00 H new ATOM 1142 N ARG A 78 2.572 6.226 -6.813 1.00 0.00 N ATOM 1143 CA ARG A 78 1.394 6.260 -7.668 1.00 0.00 C ATOM 1144 C ARG A 78 1.411 5.007 -8.532 1.00 0.00 C ATOM 1145 O ARG A 78 2.461 4.388 -8.712 1.00 0.00 O ATOM 1146 CB ARG A 78 1.450 7.564 -8.488 1.00 0.00 C ATOM 1147 CG ARG A 78 0.137 7.971 -9.175 1.00 0.00 C ATOM 1148 CD ARG A 78 0.378 9.069 -10.214 1.00 0.00 C ATOM 1149 NE ARG A 78 1.001 8.501 -11.423 1.00 0.00 N ATOM 1150 CZ ARG A 78 2.134 8.878 -12.023 1.00 0.00 C ATOM 1151 NH1 ARG A 78 2.861 9.893 -11.564 1.00 0.00 N ATOM 1152 NH2 ARG A 78 2.517 8.202 -13.096 1.00 0.00 N ATOM 0 H ARG A 78 3.381 5.790 -7.254 1.00 0.00 H new ATOM 0 HA ARG A 78 0.459 6.261 -7.108 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.761 8.374 -7.828 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.222 7.460 -9.251 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.310 7.101 -9.657 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -0.575 8.322 -8.428 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.567 9.547 -10.474 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.022 9.842 -9.794 1.00 0.00 H new ATOM 0 HE ARG A 78 0.505 7.722 -11.856 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.557 10.404 -10.735 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.722 10.160 -12.041 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.953 7.424 -13.437 1.00 0.00 H new ATOM 0 HH22 ARG A 78 3.376 8.460 -13.581 1.00 0.00 H new ATOM 1166 N ILE A 79 0.246 4.627 -9.040 1.00 0.00 N ATOM 1167 CA ILE A 79 0.044 3.449 -9.860 1.00 0.00 C ATOM 1168 C ILE A 79 -0.521 3.981 -11.178 1.00 0.00 C ATOM 1169 O ILE A 79 -1.455 4.787 -11.161 1.00 0.00 O ATOM 1170 CB ILE A 79 -0.890 2.451 -9.126 1.00 0.00 C ATOM 1171 CG1 ILE A 79 -0.314 2.063 -7.738 1.00 0.00 C ATOM 1172 CG2 ILE A 79 -1.099 1.193 -9.985 1.00 0.00 C ATOM 1173 CD1 ILE A 79 -1.161 1.071 -6.927 1.00 0.00 C ATOM 0 H ILE A 79 -0.614 5.153 -8.884 1.00 0.00 H new ATOM 0 HA ILE A 79 0.955 2.883 -10.054 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.852 2.939 -8.968 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.678 1.635 -7.882 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.186 2.972 -7.150 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.756 0.499 -9.460 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.552 1.473 -10.936 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.137 0.714 -10.168 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.670 0.867 -5.975 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.146 1.499 -6.743 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.268 0.142 -7.487 1.00 0.00 H new ATOM 1333 N HIS A 89 2.732 0.004 -13.528 1.00 0.00 N ATOM 1334 CA HIS A 89 3.962 0.580 -13.033 1.00 0.00 C ATOM 1335 C HIS A 89 3.637 1.315 -11.741 1.00 0.00 C ATOM 1336 O HIS A 89 2.569 1.924 -11.619 1.00 0.00 O ATOM 1337 CB HIS A 89 4.582 1.500 -14.089 1.00 0.00 C ATOM 1338 CG HIS A 89 6.084 1.556 -13.989 1.00 0.00 C ATOM 1339 ND1 HIS A 89 6.938 0.503 -14.221 1.00 0.00 N ATOM 1340 CD2 HIS A 89 6.860 2.646 -13.695 1.00 0.00 C ATOM 1341 CE1 HIS A 89 8.197 0.946 -14.082 1.00 0.00 C ATOM 1342 NE2 HIS A 89 8.203 2.250 -13.748 1.00 0.00 N ATOM 0 HA HIS A 89 4.704 -0.191 -12.827 1.00 0.00 H new ATOM 0 HB2 HIS A 89 4.299 1.151 -15.082 1.00 0.00 H new ATOM 0 HB3 HIS A 89 4.175 2.505 -13.976 1.00 0.00 H new ATOM 0 HD2 HIS A 89 6.500 3.637 -13.463 1.00 0.00 H new ATOM 0 HE1 HIS A 89 9.081 0.341 -14.219 1.00 0.00 H new ATOM 0 HE2 HIS A 89 9.021 2.833 -13.569 1.00 0.00 H new ATOM 1350 N VAL A 90 4.556 1.254 -10.785 1.00 0.00 N ATOM 1351 CA VAL A 90 4.349 1.698 -9.419 1.00 0.00 C ATOM 1352 C VAL A 90 5.552 2.566 -9.070 1.00 0.00 C ATOM 1353 O VAL A 90 6.658 2.048 -8.932 1.00 0.00 O ATOM 1354 CB VAL A 90 4.213 0.460 -8.507 1.00 0.00 C ATOM 1355 CG1 VAL A 90 3.940 0.867 -7.053 1.00 0.00 C ATOM 1356 CG2 VAL A 90 3.074 -0.472 -8.958 1.00 0.00 C ATOM 0 H VAL A 90 5.492 0.883 -10.947 1.00 0.00 H new ATOM 0 HA VAL A 90 3.437 2.280 -9.288 1.00 0.00 H new ATOM 0 HB VAL A 90 5.163 -0.069 -8.580 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.849 -0.027 -6.436 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.764 1.479 -6.686 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.013 1.438 -7.003 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.017 -1.328 -8.286 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.129 0.071 -8.935 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.268 -0.819 -9.973 1.00 0.00 H new ATOM 1366 N TYR A 91 5.374 3.882 -9.011 1.00 0.00 N ATOM 1367 CA TYR A 91 6.460 4.828 -8.773 1.00 0.00 C ATOM 1368 C TYR A 91 5.879 6.182 -8.378 1.00 0.00 C ATOM 1369 O TYR A 91 4.701 6.443 -8.622 1.00 0.00 O ATOM 1370 CB TYR A 91 7.341 4.978 -10.025 1.00 0.00 C ATOM 1371 CG TYR A 91 6.776 5.824 -11.156 1.00 0.00 C ATOM 1372 CD1 TYR A 91 5.583 5.460 -11.812 1.00 0.00 C ATOM 1373 CD2 TYR A 91 7.458 6.990 -11.550 1.00 0.00 C ATOM 1374 CE1 TYR A 91 5.072 6.263 -12.845 1.00 0.00 C ATOM 1375 CE2 TYR A 91 6.955 7.801 -12.581 1.00 0.00 C ATOM 1376 CZ TYR A 91 5.750 7.443 -13.229 1.00 0.00 C ATOM 1377 OH TYR A 91 5.219 8.235 -14.204 1.00 0.00 O ATOM 0 H TYR A 91 4.463 4.326 -9.128 1.00 0.00 H new ATOM 0 HA TYR A 91 7.083 4.448 -7.963 1.00 0.00 H new ATOM 0 HB2 TYR A 91 8.295 5.408 -9.721 1.00 0.00 H new ATOM 0 HB3 TYR A 91 7.551 3.982 -10.416 1.00 0.00 H new ATOM 0 HD1 TYR A 91 5.060 4.561 -11.520 1.00 0.00 H new ATOM 0 HD2 TYR A 91 8.378 7.264 -11.055 1.00 0.00 H new ATOM 0 HE1 TYR A 91 4.159 5.979 -13.347 1.00 0.00 H new ATOM 0 HE2 TYR A 91 7.486 8.694 -12.877 1.00 0.00 H new ATOM 0 HH TYR A 91 5.803 9.008 -14.352 1.00 0.00 H new ATOM 1387 N GLY A 92 6.687 7.059 -7.793 1.00 0.00 N ATOM 1388 CA GLY A 92 6.278 8.398 -7.396 1.00 0.00 C ATOM 1389 C GLY A 92 6.947 8.789 -6.087 1.00 0.00 C ATOM 1390 O GLY A 92 7.853 8.095 -5.616 1.00 0.00 O ATOM 0 H GLY A 92 7.663 6.854 -7.578 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.543 9.112 -8.175 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.194 8.436 -7.284 1.00 0.00 H new ATOM 1394 N TYR A 93 6.490 9.893 -5.496 1.00 0.00 N ATOM 1395 CA TYR A 93 6.889 10.301 -4.159 1.00 0.00 C ATOM 1396 C TYR A 93 5.827 11.196 -3.531 1.00 0.00 C ATOM 1397 O TYR A 93 5.090 11.897 -4.229 1.00 0.00 O ATOM 1398 CB TYR A 93 8.243 11.036 -4.195 1.00 0.00 C ATOM 1399 CG TYR A 93 8.327 12.243 -5.117 1.00 0.00 C ATOM 1400 CD1 TYR A 93 7.913 13.512 -4.668 1.00 0.00 C ATOM 1401 CD2 TYR A 93 8.853 12.101 -6.416 1.00 0.00 C ATOM 1402 CE1 TYR A 93 8.010 14.632 -5.513 1.00 0.00 C ATOM 1403 CE2 TYR A 93 8.969 13.219 -7.262 1.00 0.00 C ATOM 1404 CZ TYR A 93 8.542 14.491 -6.815 1.00 0.00 C ATOM 1405 OH TYR A 93 8.646 15.587 -7.619 1.00 0.00 O ATOM 0 H TYR A 93 5.828 10.530 -5.939 1.00 0.00 H new ATOM 0 HA TYR A 93 6.995 9.403 -3.550 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.484 11.361 -3.183 1.00 0.00 H new ATOM 0 HB3 TYR A 93 9.012 10.323 -4.493 1.00 0.00 H new ATOM 0 HD1 TYR A 93 7.519 13.626 -3.669 1.00 0.00 H new ATOM 0 HD2 TYR A 93 9.169 11.129 -6.764 1.00 0.00 H new ATOM 0 HE1 TYR A 93 7.678 15.600 -5.167 1.00 0.00 H new ATOM 0 HE2 TYR A 93 9.384 13.106 -8.253 1.00 0.00 H new ATOM 0 HH TYR A 93 9.032 15.325 -8.481 1.00 0.00 H new ATOM 1415 N SER A 94 5.765 11.149 -2.203 1.00 0.00 N ATOM 1416 CA SER A 94 5.015 12.076 -1.371 1.00 0.00 C ATOM 1417 C SER A 94 5.985 13.218 -1.036 1.00 0.00 C ATOM 1418 O SER A 94 7.205 13.029 -1.128 1.00 0.00 O ATOM 1419 CB SER A 94 4.553 11.306 -0.126 1.00 0.00 C ATOM 1420 OG SER A 94 4.308 12.138 0.977 1.00 0.00 O ATOM 0 H SER A 94 6.254 10.437 -1.660 1.00 0.00 H new ATOM 0 HA SER A 94 4.128 12.490 -1.850 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.645 10.753 -0.365 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.313 10.572 0.142 1.00 0.00 H new ATOM 0 HG SER A 94 3.345 12.299 1.058 1.00 0.00 H new ATOM 1426 N MET A 95 5.490 14.385 -0.610 1.00 0.00 N ATOM 1427 CA MET A 95 6.369 15.420 -0.071 1.00 0.00 C ATOM 1428 C MET A 95 6.443 15.303 1.451 1.00 0.00 C ATOM 1429 O MET A 95 7.509 15.554 2.017 1.00 0.00 O ATOM 1430 CB MET A 95 5.958 16.829 -0.521 1.00 0.00 C ATOM 1431 CG MET A 95 4.583 17.276 -0.016 1.00 0.00 C ATOM 1432 SD MET A 95 4.163 19.004 -0.399 1.00 0.00 S ATOM 1433 CE MET A 95 5.253 19.885 0.756 1.00 0.00 C ATOM 0 H MET A 95 4.500 14.631 -0.628 1.00 0.00 H new ATOM 0 HA MET A 95 7.368 15.258 -0.477 1.00 0.00 H new ATOM 0 HB2 MET A 95 6.708 17.541 -0.176 1.00 0.00 H new ATOM 0 HB3 MET A 95 5.961 16.865 -1.610 1.00 0.00 H new ATOM 0 HG2 MET A 95 3.822 16.626 -0.449 1.00 0.00 H new ATOM 0 HG3 MET A 95 4.544 17.137 1.064 1.00 0.00 H new ATOM 0 HE1 MET A 95 5.000 20.945 0.758 1.00 0.00 H new ATOM 0 HE2 MET A 95 5.124 19.479 1.759 1.00 0.00 H new ATOM 0 HE3 MET A 95 6.290 19.760 0.445 1.00 0.00 H new ATOM 1443 N ALA A 96 5.357 14.897 2.123 1.00 0.00 N ATOM 1444 CA ALA A 96 5.372 14.733 3.572 1.00 0.00 C ATOM 1445 C ALA A 96 6.113 13.458 3.999 1.00 0.00 C ATOM 1446 O ALA A 96 6.644 13.418 5.112 1.00 0.00 O ATOM 1447 CB ALA A 96 3.940 14.726 4.108 1.00 0.00 C ATOM 0 H ALA A 96 4.463 14.678 1.683 1.00 0.00 H new ATOM 0 HA ALA A 96 5.914 15.577 3.998 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.957 14.603 5.191 1.00 0.00 H new ATOM 0 HB2 ALA A 96 3.453 15.668 3.857 1.00 0.00 H new ATOM 0 HB3 ALA A 96 3.387 13.901 3.658 1.00 0.00 H new ATOM 1453 N TYR A 97 6.183 12.442 3.129 1.00 0.00 N ATOM 1454 CA TYR A 97 6.658 11.102 3.476 1.00 0.00 C ATOM 1455 C TYR A 97 7.662 10.525 2.464 1.00 0.00 C ATOM 1456 O TYR A 97 8.218 9.454 2.713 1.00 0.00 O ATOM 1457 CB TYR A 97 5.444 10.170 3.632 1.00 0.00 C ATOM 1458 CG TYR A 97 4.303 10.737 4.465 1.00 0.00 C ATOM 1459 CD1 TYR A 97 4.439 10.871 5.860 1.00 0.00 C ATOM 1460 CD2 TYR A 97 3.114 11.163 3.841 1.00 0.00 C ATOM 1461 CE1 TYR A 97 3.385 11.394 6.631 1.00 0.00 C ATOM 1462 CE2 TYR A 97 2.052 11.669 4.604 1.00 0.00 C ATOM 1463 CZ TYR A 97 2.182 11.794 6.006 1.00 0.00 C ATOM 1464 OH TYR A 97 1.175 12.320 6.759 1.00 0.00 O ATOM 0 H TYR A 97 5.907 12.532 2.151 1.00 0.00 H new ATOM 0 HA TYR A 97 7.204 11.179 4.416 1.00 0.00 H new ATOM 0 HB2 TYR A 97 5.063 9.924 2.641 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.777 9.237 4.086 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.358 10.570 6.341 1.00 0.00 H new ATOM 0 HD2 TYR A 97 3.020 11.099 2.767 1.00 0.00 H new ATOM 0 HE1 TYR A 97 3.495 11.490 7.701 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.133 11.964 4.120 1.00 0.00 H new ATOM 0 HH TYR A 97 0.417 12.545 6.180 1.00 0.00 H new ATOM 1474 N GLY A 98 7.941 11.222 1.357 1.00 0.00 N ATOM 1475 CA GLY A 98 8.976 10.829 0.402 1.00 0.00 C ATOM 1476 C GLY A 98 8.561 9.655 -0.496 1.00 0.00 C ATOM 1477 O GLY A 98 7.403 9.222 -0.465 1.00 0.00 O ATOM 0 H GLY A 98 7.451 12.079 1.100 1.00 0.00 H new ATOM 0 HA2 GLY A 98 9.226 11.685 -0.224 1.00 0.00 H new ATOM 0 HA3 GLY A 98 9.880 10.558 0.948 1.00 0.00 H new ATOM 1481 N PRO A 99 9.477 9.156 -1.344 1.00 0.00 N ATOM 1482 CA PRO A 99 9.241 7.987 -2.183 1.00 0.00 C ATOM 1483 C PRO A 99 9.170 6.710 -1.345 1.00 0.00 C ATOM 1484 O PRO A 99 9.966 6.513 -0.421 1.00 0.00 O ATOM 1485 CB PRO A 99 10.421 7.930 -3.160 1.00 0.00 C ATOM 1486 CG PRO A 99 11.550 8.640 -2.414 1.00 0.00 C ATOM 1487 CD PRO A 99 10.821 9.677 -1.558 1.00 0.00 C ATOM 0 HA PRO A 99 8.288 8.063 -2.706 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.688 6.902 -3.404 1.00 0.00 H new ATOM 0 HB3 PRO A 99 10.186 8.430 -4.100 1.00 0.00 H new ATOM 0 HG2 PRO A 99 12.123 7.945 -1.800 1.00 0.00 H new ATOM 0 HG3 PRO A 99 12.251 9.111 -3.103 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.335 9.829 -0.609 1.00 0.00 H new ATOM 0 HD3 PRO A 99 10.788 10.643 -2.061 1.00 0.00 H new ATOM 1495 N ALA A 100 8.226 5.830 -1.683 1.00 0.00 N ATOM 1496 CA ALA A 100 8.181 4.479 -1.140 1.00 0.00 C ATOM 1497 C ALA A 100 9.334 3.652 -1.737 1.00 0.00 C ATOM 1498 O ALA A 100 9.960 4.052 -2.723 1.00 0.00 O ATOM 1499 CB ALA A 100 6.827 3.850 -1.481 1.00 0.00 C ATOM 0 H ALA A 100 7.474 6.037 -2.340 1.00 0.00 H new ATOM 0 HA ALA A 100 8.296 4.502 -0.056 1.00 0.00 H new ATOM 0 HB1 ALA A 100 6.784 2.838 -1.078 1.00 0.00 H new ATOM 0 HB2 ALA A 100 6.027 4.448 -1.044 1.00 0.00 H new ATOM 0 HB3 ALA A 100 6.704 3.815 -2.564 1.00 0.00 H new ATOM 1505 N GLN A 101 9.587 2.466 -1.174 1.00 0.00 N ATOM 1506 CA GLN A 101 10.546 1.516 -1.744 1.00 0.00 C ATOM 1507 C GLN A 101 10.049 0.930 -3.074 1.00 0.00 C ATOM 1508 O GLN A 101 10.871 0.517 -3.890 1.00 0.00 O ATOM 1509 CB GLN A 101 10.797 0.359 -0.764 1.00 0.00 C ATOM 1510 CG GLN A 101 11.478 0.753 0.554 1.00 0.00 C ATOM 1511 CD GLN A 101 12.855 1.388 0.343 1.00 0.00 C ATOM 1512 OE1 GLN A 101 13.017 2.604 0.421 1.00 0.00 O ATOM 1513 NE2 GLN A 101 13.874 0.593 0.059 1.00 0.00 N ATOM 0 H GLN A 101 9.137 2.140 -0.318 1.00 0.00 H new ATOM 0 HA GLN A 101 11.469 2.067 -1.926 1.00 0.00 H new ATOM 0 HB2 GLN A 101 9.842 -0.114 -0.534 1.00 0.00 H new ATOM 0 HB3 GLN A 101 11.412 -0.390 -1.262 1.00 0.00 H new ATOM 0 HG2 GLN A 101 10.839 1.452 1.093 1.00 0.00 H new ATOM 0 HG3 GLN A 101 11.583 -0.132 1.182 1.00 0.00 H new ATOM 0 HE21 GLN A 101 13.732 -0.415 -0.004 1.00 0.00 H new ATOM 0 HE22 GLN A 101 14.801 0.988 -0.097 1.00 0.00 H new ATOM 1522 N HIS A 102 8.724 0.865 -3.272 1.00 0.00 N ATOM 1523 CA HIS A 102 7.987 0.269 -4.391 1.00 0.00 C ATOM 1524 C HIS A 102 8.203 -1.239 -4.611 1.00 0.00 C ATOM 1525 O HIS A 102 7.272 -1.911 -5.051 1.00 0.00 O ATOM 1526 CB HIS A 102 8.229 1.077 -5.670 1.00 0.00 C ATOM 1527 CG HIS A 102 7.887 2.541 -5.539 1.00 0.00 C ATOM 1528 ND1 HIS A 102 8.758 3.607 -5.584 1.00 0.00 N ATOM 1529 CD2 HIS A 102 6.654 3.047 -5.241 1.00 0.00 C ATOM 1530 CE1 HIS A 102 8.058 4.721 -5.310 1.00 0.00 C ATOM 1531 NE2 HIS A 102 6.757 4.437 -5.129 1.00 0.00 N ATOM 0 H HIS A 102 8.083 1.267 -2.587 1.00 0.00 H new ATOM 0 HA HIS A 102 6.936 0.329 -4.109 1.00 0.00 H new ATOM 0 HB2 HIS A 102 9.277 0.982 -5.956 1.00 0.00 H new ATOM 0 HB3 HIS A 102 7.638 0.646 -6.478 1.00 0.00 H new ATOM 0 HD1 HIS A 102 9.756 3.559 -5.789 1.00 0.00 H new ATOM 0 HD2 HIS A 102 5.750 2.470 -5.113 1.00 0.00 H new ATOM 0 HE1 HIS A 102 8.484 5.711 -5.244 1.00 0.00 H new ATOM 1539 N ALA A 103 9.366 -1.795 -4.262 1.00 0.00 N ATOM 1540 CA ALA A 103 9.695 -3.205 -4.440 1.00 0.00 C ATOM 1541 C ALA A 103 8.747 -4.131 -3.665 1.00 0.00 C ATOM 1542 O ALA A 103 8.344 -5.178 -4.176 1.00 0.00 O ATOM 1543 CB ALA A 103 11.143 -3.424 -3.984 1.00 0.00 C ATOM 0 H ALA A 103 10.123 -1.259 -3.837 1.00 0.00 H new ATOM 0 HA ALA A 103 9.580 -3.457 -5.494 1.00 0.00 H new ATOM 0 HB1 ALA A 103 11.409 -4.474 -4.109 1.00 0.00 H new ATOM 0 HB2 ALA A 103 11.811 -2.806 -4.584 1.00 0.00 H new ATOM 0 HB3 ALA A 103 11.239 -3.148 -2.934 1.00 0.00 H new ATOM 1549 N ILE A 104 8.385 -3.754 -2.431 1.00 0.00 N ATOM 1550 CA ILE A 104 7.440 -4.526 -1.625 1.00 0.00 C ATOM 1551 C ILE A 104 6.099 -4.532 -2.371 1.00 0.00 C ATOM 1552 O ILE A 104 5.470 -5.582 -2.523 1.00 0.00 O ATOM 1553 CB ILE A 104 7.301 -3.941 -0.194 1.00 0.00 C ATOM 1554 CG1 ILE A 104 8.556 -4.037 0.708 1.00 0.00 C ATOM 1555 CG2 ILE A 104 6.181 -4.668 0.570 1.00 0.00 C ATOM 1556 CD1 ILE A 104 9.747 -3.165 0.306 1.00 0.00 C ATOM 0 H ILE A 104 8.737 -2.914 -1.971 1.00 0.00 H new ATOM 0 HA ILE A 104 7.799 -5.547 -1.494 1.00 0.00 H new ATOM 0 HB ILE A 104 7.102 -2.885 -0.376 1.00 0.00 H new ATOM 0 HG12 ILE A 104 8.267 -3.774 1.726 1.00 0.00 H new ATOM 0 HG13 ILE A 104 8.884 -5.076 0.728 1.00 0.00 H new ATOM 0 HG21 ILE A 104 6.093 -4.249 1.572 1.00 0.00 H new ATOM 0 HG22 ILE A 104 5.237 -4.541 0.040 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.418 -5.730 0.640 1.00 0.00 H new ATOM 0 HD11 ILE A 104 10.564 -3.318 1.011 1.00 0.00 H new ATOM 0 HD12 ILE A 104 10.077 -3.439 -0.696 1.00 0.00 H new ATOM 0 HD13 ILE A 104 9.450 -2.116 0.316 1.00 0.00 H new ATOM 1568 N SER A 105 5.673 -3.360 -2.849 1.00 0.00 N ATOM 1569 CA SER A 105 4.405 -3.175 -3.516 1.00 0.00 C ATOM 1570 C SER A 105 4.317 -4.057 -4.756 1.00 0.00 C ATOM 1571 O SER A 105 3.315 -4.744 -4.923 1.00 0.00 O ATOM 1572 CB SER A 105 4.223 -1.698 -3.878 1.00 0.00 C ATOM 1573 OG SER A 105 4.777 -0.862 -2.875 1.00 0.00 O ATOM 0 H SER A 105 6.220 -2.502 -2.776 1.00 0.00 H new ATOM 0 HA SER A 105 3.601 -3.470 -2.842 1.00 0.00 H new ATOM 0 HB2 SER A 105 4.702 -1.492 -4.835 1.00 0.00 H new ATOM 0 HB3 SER A 105 3.163 -1.476 -3.998 1.00 0.00 H new ATOM 0 HG SER A 105 4.074 -0.595 -2.247 1.00 0.00 H new ATOM 1579 N THR A 106 5.345 -4.086 -5.609 1.00 0.00 N ATOM 1580 CA THR A 106 5.268 -4.851 -6.841 1.00 0.00 C ATOM 1581 C THR A 106 5.153 -6.343 -6.553 1.00 0.00 C ATOM 1582 O THR A 106 4.322 -6.990 -7.181 1.00 0.00 O ATOM 1583 CB THR A 106 6.437 -4.512 -7.776 1.00 0.00 C ATOM 1584 OG1 THR A 106 7.672 -4.461 -7.092 1.00 0.00 O ATOM 1585 CG2 THR A 106 6.197 -3.140 -8.399 1.00 0.00 C ATOM 0 H THR A 106 6.226 -3.593 -5.466 1.00 0.00 H new ATOM 0 HA THR A 106 4.358 -4.566 -7.368 1.00 0.00 H new ATOM 0 HB THR A 106 6.486 -5.298 -8.530 1.00 0.00 H new ATOM 0 HG1 THR A 106 8.406 -4.564 -7.733 1.00 0.00 H new ATOM 0 HG21 THR A 106 7.024 -2.893 -9.065 1.00 0.00 H new ATOM 0 HG22 THR A 106 5.267 -3.156 -8.967 1.00 0.00 H new ATOM 0 HG23 THR A 106 6.129 -2.390 -7.611 1.00 0.00 H new ATOM 1593 N GLU A 107 5.887 -6.894 -5.579 1.00 0.00 N ATOM 1594 CA GLU A 107 5.752 -8.309 -5.238 1.00 0.00 C ATOM 1595 C GLU A 107 4.310 -8.630 -4.820 1.00 0.00 C ATOM 1596 O GLU A 107 3.723 -9.605 -5.298 1.00 0.00 O ATOM 1597 CB GLU A 107 6.744 -8.701 -4.131 1.00 0.00 C ATOM 1598 CG GLU A 107 8.190 -8.751 -4.642 1.00 0.00 C ATOM 1599 CD GLU A 107 9.153 -9.263 -3.555 1.00 0.00 C ATOM 1600 OE1 GLU A 107 9.675 -8.456 -2.753 1.00 0.00 O ATOM 1601 OE2 GLU A 107 9.416 -10.487 -3.501 1.00 0.00 O ATOM 0 H GLU A 107 6.572 -6.386 -5.020 1.00 0.00 H new ATOM 0 HA GLU A 107 5.987 -8.898 -6.125 1.00 0.00 H new ATOM 0 HB2 GLU A 107 6.674 -7.985 -3.312 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.469 -9.675 -3.727 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.246 -9.401 -5.515 1.00 0.00 H new ATOM 0 HG3 GLU A 107 8.498 -7.756 -4.964 1.00 0.00 H new ATOM 1608 N LYS A 108 3.714 -7.788 -3.969 1.00 0.00 N ATOM 1609 CA LYS A 108 2.351 -8.000 -3.484 1.00 0.00 C ATOM 1610 C LYS A 108 1.336 -7.844 -4.615 1.00 0.00 C ATOM 1611 O LYS A 108 0.452 -8.687 -4.762 1.00 0.00 O ATOM 1612 CB LYS A 108 2.056 -7.030 -2.331 1.00 0.00 C ATOM 1613 CG LYS A 108 2.883 -7.344 -1.074 1.00 0.00 C ATOM 1614 CD LYS A 108 2.696 -6.256 -0.007 1.00 0.00 C ATOM 1615 CE LYS A 108 3.467 -6.611 1.271 1.00 0.00 C ATOM 1616 NZ LYS A 108 2.674 -7.446 2.198 1.00 0.00 N ATOM 0 H LYS A 108 4.160 -6.948 -3.601 1.00 0.00 H new ATOM 0 HA LYS A 108 2.263 -9.020 -3.111 1.00 0.00 H new ATOM 0 HB2 LYS A 108 2.266 -6.011 -2.655 1.00 0.00 H new ATOM 0 HB3 LYS A 108 0.995 -7.075 -2.085 1.00 0.00 H new ATOM 0 HG2 LYS A 108 2.583 -8.311 -0.669 1.00 0.00 H new ATOM 0 HG3 LYS A 108 3.938 -7.422 -1.338 1.00 0.00 H new ATOM 0 HD2 LYS A 108 3.044 -5.298 -0.393 1.00 0.00 H new ATOM 0 HD3 LYS A 108 1.636 -6.142 0.221 1.00 0.00 H new ATOM 0 HE2 LYS A 108 4.382 -7.139 1.004 1.00 0.00 H new ATOM 0 HE3 LYS A 108 3.765 -5.693 1.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 3.315 -7.973 2.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 2.053 -6.837 2.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 2.095 -8.116 1.653 1.00 0.00 H new ATOM 1630 N ILE A 109 1.445 -6.797 -5.434 1.00 0.00 N ATOM 1631 CA ILE A 109 0.482 -6.537 -6.499 1.00 0.00 C ATOM 1632 C ILE A 109 0.623 -7.629 -7.577 1.00 0.00 C ATOM 1633 O ILE A 109 -0.399 -8.104 -8.069 1.00 0.00 O ATOM 1634 CB ILE A 109 0.620 -5.089 -7.039 1.00 0.00 C ATOM 1635 CG1 ILE A 109 0.411 -4.019 -5.931 1.00 0.00 C ATOM 1636 CG2 ILE A 109 -0.436 -4.801 -8.127 1.00 0.00 C ATOM 1637 CD1 ILE A 109 0.974 -2.644 -6.320 1.00 0.00 C ATOM 0 H ILE A 109 2.198 -6.111 -5.377 1.00 0.00 H new ATOM 0 HA ILE A 109 -0.536 -6.593 -6.114 1.00 0.00 H new ATOM 0 HB ILE A 109 1.633 -5.024 -7.436 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -0.654 -3.924 -5.720 1.00 0.00 H new ATOM 0 HG13 ILE A 109 0.890 -4.356 -5.012 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -0.317 -3.780 -8.488 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -0.304 -5.497 -8.956 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -1.434 -4.923 -7.707 1.00 0.00 H new ATOM 0 HD11 ILE A 109 0.800 -1.937 -5.509 1.00 0.00 H new ATOM 0 HD12 ILE A 109 2.045 -2.728 -6.504 1.00 0.00 H new ATOM 0 HD13 ILE A 109 0.477 -2.290 -7.223 1.00 0.00 H new ATOM 1649 N LYS A 110 1.834 -8.107 -7.910 1.00 0.00 N ATOM 1650 CA LYS A 110 1.998 -9.233 -8.842 1.00 0.00 C ATOM 1651 C LYS A 110 1.262 -10.464 -8.311 1.00 0.00 C ATOM 1652 O LYS A 110 0.592 -11.136 -9.092 1.00 0.00 O ATOM 1653 CB LYS A 110 3.478 -9.595 -9.077 1.00 0.00 C ATOM 1654 CG LYS A 110 4.294 -8.613 -9.930 1.00 0.00 C ATOM 1655 CD LYS A 110 5.768 -9.051 -9.917 1.00 0.00 C ATOM 1656 CE LYS A 110 6.637 -8.137 -10.787 1.00 0.00 C ATOM 1657 NZ LYS A 110 8.061 -8.558 -10.809 1.00 0.00 N ATOM 0 H LYS A 110 2.711 -7.732 -7.548 1.00 0.00 H new ATOM 0 HA LYS A 110 1.575 -8.917 -9.796 1.00 0.00 H new ATOM 0 HB2 LYS A 110 3.965 -9.690 -8.106 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.519 -10.575 -9.552 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.915 -8.595 -10.952 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.198 -7.601 -9.537 1.00 0.00 H new ATOM 0 HD2 LYS A 110 6.142 -9.042 -8.893 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.846 -10.077 -10.276 1.00 0.00 H new ATOM 0 HE2 LYS A 110 6.247 -8.132 -11.805 1.00 0.00 H new ATOM 0 HE3 LYS A 110 6.569 -7.115 -10.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 8.606 -7.908 -11.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 8.444 -8.538 -9.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 8.132 -9.523 -11.189 1.00 0.00 H new ATOM 1786 N VAL A 118 3.467 -6.264 -13.193 1.00 0.00 N ATOM 1787 CA VAL A 118 3.621 -5.010 -12.470 1.00 0.00 C ATOM 1788 C VAL A 118 5.131 -4.750 -12.389 1.00 0.00 C ATOM 1789 O VAL A 118 5.890 -5.704 -12.205 1.00 0.00 O ATOM 1790 CB VAL A 118 3.028 -5.139 -11.046 1.00 0.00 C ATOM 1791 CG1 VAL A 118 2.785 -3.769 -10.403 1.00 0.00 C ATOM 1792 CG2 VAL A 118 1.720 -5.945 -10.963 1.00 0.00 C ATOM 0 HA VAL A 118 3.100 -4.194 -12.971 1.00 0.00 H new ATOM 0 HB VAL A 118 3.792 -5.693 -10.501 1.00 0.00 H new ATOM 0 HG11 VAL A 118 2.369 -3.904 -9.405 1.00 0.00 H new ATOM 0 HG12 VAL A 118 3.728 -3.228 -10.332 1.00 0.00 H new ATOM 0 HG13 VAL A 118 2.085 -3.199 -11.014 1.00 0.00 H new ATOM 0 HG21 VAL A 118 1.380 -5.982 -9.928 1.00 0.00 H new ATOM 0 HG22 VAL A 118 0.958 -5.467 -11.578 1.00 0.00 H new ATOM 0 HG23 VAL A 118 1.894 -6.959 -11.324 1.00 0.00 H new ATOM 1802 N THR A 119 5.579 -3.501 -12.474 1.00 0.00 N ATOM 1803 CA THR A 119 6.985 -3.119 -12.351 1.00 0.00 C ATOM 1804 C THR A 119 7.105 -1.824 -11.532 1.00 0.00 C ATOM 1805 O THR A 119 6.104 -1.169 -11.231 1.00 0.00 O ATOM 1806 CB THR A 119 7.614 -2.989 -13.759 1.00 0.00 C ATOM 1807 OG1 THR A 119 6.743 -2.328 -14.665 1.00 0.00 O ATOM 1808 CG2 THR A 119 7.970 -4.355 -14.352 1.00 0.00 C ATOM 0 H THR A 119 4.961 -2.706 -12.634 1.00 0.00 H new ATOM 0 HA THR A 119 7.538 -3.891 -11.816 1.00 0.00 H new ATOM 0 HB THR A 119 8.522 -2.400 -13.626 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.712 -1.372 -14.451 1.00 0.00 H new ATOM 0 HG21 THR A 119 8.409 -4.219 -15.341 1.00 0.00 H new ATOM 0 HG22 THR A 119 8.687 -4.858 -13.703 1.00 0.00 H new ATOM 0 HG23 THR A 119 7.068 -4.962 -14.435 1.00 0.00 H new ATOM 1816 N TRP A 120 8.329 -1.447 -11.157 1.00 0.00 N ATOM 1817 CA TRP A 120 8.639 -0.151 -10.569 1.00 0.00 C ATOM 1818 C TRP A 120 9.975 0.311 -11.142 1.00 0.00 C ATOM 1819 O TRP A 120 10.765 -0.496 -11.644 1.00 0.00 O ATOM 1820 CB TRP A 120 8.729 -0.206 -9.033 1.00 0.00 C ATOM 1821 CG TRP A 120 9.920 -0.886 -8.433 1.00 0.00 C ATOM 1822 CD1 TRP A 120 10.057 -2.216 -8.249 1.00 0.00 C ATOM 1823 CD2 TRP A 120 11.152 -0.280 -7.918 1.00 0.00 C ATOM 1824 NE1 TRP A 120 11.281 -2.485 -7.679 1.00 0.00 N ATOM 1825 CE2 TRP A 120 11.998 -1.331 -7.446 1.00 0.00 C ATOM 1826 CE3 TRP A 120 11.647 1.044 -7.797 1.00 0.00 C ATOM 1827 CZ2 TRP A 120 13.263 -1.090 -6.892 1.00 0.00 C ATOM 1828 CZ3 TRP A 120 12.916 1.290 -7.239 1.00 0.00 C ATOM 1829 CH2 TRP A 120 13.724 0.231 -6.788 1.00 0.00 C ATOM 0 H TRP A 120 9.146 -2.049 -11.257 1.00 0.00 H new ATOM 0 HA TRP A 120 7.835 0.543 -10.812 1.00 0.00 H new ATOM 0 HB2 TRP A 120 8.702 0.817 -8.658 1.00 0.00 H new ATOM 0 HB3 TRP A 120 7.834 -0.706 -8.662 1.00 0.00 H new ATOM 0 HD1 TRP A 120 9.317 -2.958 -8.510 1.00 0.00 H new ATOM 0 HE1 TRP A 120 11.616 -3.422 -7.457 1.00 0.00 H new ATOM 0 HE3 TRP A 120 11.044 1.873 -8.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 13.875 -1.911 -6.549 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 13.274 2.306 -7.156 1.00 0.00 H new ATOM 0 HH2 TRP A 120 14.696 0.434 -6.363 1.00 0.00 H new