USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 735 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 77 THR OG1 : rot 180:sc= 0.545 USER MOD Set 1.2: A 100 THR OG1 : rot -64:sc= 0.597 USER MOD Single : A 12 CYS SG : rot 180:sc= -1.2 USER MOD Single : A 18 GLN : amide:sc= 0.158 X(o=0.16,f=-0.0089) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.123 K(o=-0.12,f=-1.9!) USER MOD Single : A 39 SER OG : rot -110:sc= -1.61 USER MOD Single : A 42 SER OG : rot -39:sc= 0.0696 USER MOD Single : A 43 CYS SG : rot 180:sc= -1.64 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.826 USER MOD Single : A 45 SER OG : rot 150:sc= 0.18 USER MOD Single : A 48 MET CE :methyl -122:sc= -1.29 (180deg=-4.43!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 30:sc=-0.00685 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot -151:sc= -0.247 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.507 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -54:sc= 0.0568 USER MOD Single : A 76 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00995) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot -13:sc= 0.935! USER MOD Single : A 86 ASN : amide:sc= -1.91 K(o=-1.9,f=-12!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl -128:sc= -4.88! (180deg=-6.95!) USER MOD Single : A 94 SER OG : rot 82:sc= -0.0241 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 CYS SG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot -154:sc= 0.188 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 10.419 16.887 4.566 1.00 0.00 N ATOM 67 CA PRO A 8 9.677 15.715 4.093 1.00 0.00 C ATOM 68 C PRO A 8 8.762 16.043 2.919 1.00 0.00 C ATOM 69 O PRO A 8 8.385 17.194 2.697 1.00 0.00 O ATOM 70 CB PRO A 8 8.852 15.301 5.315 1.00 0.00 C ATOM 71 CG PRO A 8 8.698 16.552 6.109 1.00 0.00 C ATOM 72 CD PRO A 8 9.960 17.340 5.890 1.00 0.00 C ATOM 0 HA PRO A 8 10.341 14.933 3.725 1.00 0.00 H new ATOM 0 HB2 PRO A 8 7.883 14.897 5.020 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.359 14.526 5.891 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.824 17.116 5.783 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.556 16.328 7.166 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.771 18.413 5.904 1.00 0.00 H new ATOM 0 HD3 PRO A 8 10.700 17.136 6.664 1.00 0.00 H new ATOM 80 N PRO A 9 8.395 15.009 2.147 1.00 0.00 N ATOM 81 CA PRO A 9 7.518 15.163 0.982 1.00 0.00 C ATOM 82 C PRO A 9 6.085 15.504 1.376 1.00 0.00 C ATOM 83 O PRO A 9 5.609 15.099 2.436 1.00 0.00 O ATOM 84 CB PRO A 9 7.575 13.788 0.311 1.00 0.00 C ATOM 85 CG PRO A 9 7.919 12.844 1.411 1.00 0.00 C ATOM 86 CD PRO A 9 8.807 13.610 2.352 1.00 0.00 C ATOM 0 HA PRO A 9 7.838 15.981 0.337 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.620 13.531 -0.147 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.325 13.764 -0.480 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.021 12.494 1.920 1.00 0.00 H new ATOM 0 HG3 PRO A 9 8.430 11.962 1.023 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.663 13.296 3.386 1.00 0.00 H new ATOM 0 HD3 PRO A 9 9.862 13.463 2.118 1.00 0.00 H new ATOM 94 N GLY A 10 5.401 16.252 0.515 1.00 0.00 N ATOM 95 CA GLY A 10 4.029 16.635 0.792 1.00 0.00 C ATOM 96 C GLY A 10 3.083 15.451 0.779 1.00 0.00 C ATOM 97 O GLY A 10 3.500 14.297 0.677 1.00 0.00 O ATOM 0 H GLY A 10 5.773 16.599 -0.369 1.00 0.00 H new ATOM 0 HA2 GLY A 10 3.981 17.124 1.765 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.702 17.365 0.052 1.00 0.00 H new ATOM 101 N PRO A 11 1.776 15.731 0.887 1.00 0.00 N ATOM 102 CA PRO A 11 0.741 14.693 0.890 1.00 0.00 C ATOM 103 C PRO A 11 0.586 14.025 -0.471 1.00 0.00 C ATOM 104 O PRO A 11 0.121 14.645 -1.428 1.00 0.00 O ATOM 105 CB PRO A 11 -0.531 15.462 1.257 1.00 0.00 C ATOM 106 CG PRO A 11 -0.267 16.861 0.820 1.00 0.00 C ATOM 107 CD PRO A 11 1.207 17.084 1.012 1.00 0.00 C ATOM 0 HA PRO A 11 0.979 13.882 1.578 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.404 15.048 0.752 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.729 15.412 2.328 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.551 17.004 -0.223 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.849 17.570 1.409 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.612 17.761 0.260 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.424 17.523 1.986 1.00 0.00 H new ATOM 115 N CYS A 12 0.976 12.757 -0.551 1.00 0.00 N ATOM 116 CA CYS A 12 0.880 12.004 -1.796 1.00 0.00 C ATOM 117 C CYS A 12 -0.572 11.664 -2.115 1.00 0.00 C ATOM 118 O CYS A 12 -1.450 11.777 -1.259 1.00 0.00 O ATOM 119 CB CYS A 12 1.710 10.723 -1.707 1.00 0.00 C ATOM 120 SG CYS A 12 3.421 10.986 -1.187 1.00 0.00 S ATOM 0 H CYS A 12 1.362 12.229 0.232 1.00 0.00 H new ATOM 0 HA CYS A 12 1.273 12.627 -2.600 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.230 10.040 -1.007 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.709 10.234 -2.681 1.00 0.00 H new ATOM 0 HG CYS A 12 4.041 9.844 -1.140 1.00 0.00 H new ATOM 126 N LEU A 13 -0.818 11.248 -3.352 1.00 0.00 N ATOM 127 CA LEU A 13 -2.165 10.892 -3.786 1.00 0.00 C ATOM 128 C LEU A 13 -2.496 9.452 -3.407 1.00 0.00 C ATOM 129 O LEU A 13 -1.614 8.630 -3.159 1.00 0.00 O ATOM 130 CB LEU A 13 -2.301 11.077 -5.298 1.00 0.00 C ATOM 131 CG LEU A 13 -2.660 12.485 -5.773 1.00 0.00 C ATOM 132 CD1 LEU A 13 -2.462 12.609 -7.275 1.00 0.00 C ATOM 133 CD2 LEU A 13 -4.093 12.827 -5.392 1.00 0.00 C ATOM 0 H LEU A 13 -0.103 11.149 -4.072 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.869 11.553 -3.281 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.360 10.787 -5.765 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.063 10.388 -5.661 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.995 13.194 -5.280 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.723 13.618 -7.594 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.420 12.408 -7.522 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.102 11.890 -7.787 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.331 13.833 -5.738 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.773 12.113 -5.856 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.202 12.781 -4.308 1.00 0.00 H new ATOM 145 N PRO A 14 -3.799 9.136 -3.361 1.00 0.00 N ATOM 146 CA PRO A 14 -4.277 7.795 -3.015 1.00 0.00 C ATOM 147 C PRO A 14 -3.967 6.771 -4.102 1.00 0.00 C ATOM 148 O PRO A 14 -4.010 7.066 -5.297 1.00 0.00 O ATOM 149 CB PRO A 14 -5.790 7.982 -2.874 1.00 0.00 C ATOM 150 CG PRO A 14 -6.106 9.163 -3.725 1.00 0.00 C ATOM 151 CD PRO A 14 -4.906 10.066 -3.644 1.00 0.00 C ATOM 0 HA PRO A 14 -3.796 7.411 -2.116 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.331 7.097 -3.208 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.073 8.155 -1.836 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.299 8.862 -4.755 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -7.002 9.672 -3.369 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.747 10.608 -4.576 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -5.016 10.811 -2.856 1.00 0.00 H new ATOM 159 N PRO A 15 -3.648 5.538 -3.681 1.00 0.00 N ATOM 160 CA PRO A 15 -3.325 4.445 -4.603 1.00 0.00 C ATOM 161 C PRO A 15 -4.544 3.969 -5.386 1.00 0.00 C ATOM 162 O PRO A 15 -5.607 3.731 -4.813 1.00 0.00 O ATOM 163 CB PRO A 15 -2.818 3.337 -3.677 1.00 0.00 C ATOM 164 CG PRO A 15 -3.459 3.619 -2.362 1.00 0.00 C ATOM 165 CD PRO A 15 -3.578 5.116 -2.272 1.00 0.00 C ATOM 0 HA PRO A 15 -2.602 4.750 -5.360 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.096 2.351 -4.050 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.731 3.353 -3.599 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.438 3.145 -2.296 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.858 3.225 -1.542 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.468 5.416 -1.718 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.721 5.557 -1.762 1.00 0.00 H new ATOM 173 N ARG A 16 -4.382 3.831 -6.698 1.00 0.00 N ATOM 174 CA ARG A 16 -5.470 3.383 -7.559 1.00 0.00 C ATOM 175 C ARG A 16 -5.437 1.867 -7.733 1.00 0.00 C ATOM 176 O ARG A 16 -4.468 1.312 -8.253 1.00 0.00 O ATOM 177 CB ARG A 16 -5.382 4.065 -8.925 1.00 0.00 C ATOM 178 CG ARG A 16 -5.851 5.511 -8.915 1.00 0.00 C ATOM 179 CD ARG A 16 -7.161 5.666 -8.159 1.00 0.00 C ATOM 180 NE ARG A 16 -7.963 6.773 -8.675 1.00 0.00 N ATOM 181 CZ ARG A 16 -9.166 7.089 -8.208 1.00 0.00 C ATOM 182 NH1 ARG A 16 -9.703 6.386 -7.220 1.00 0.00 N ATOM 183 NH2 ARG A 16 -9.834 8.110 -8.729 1.00 0.00 N ATOM 0 H ARG A 16 -3.508 4.023 -7.188 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.412 3.657 -7.084 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.350 4.029 -9.274 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.981 3.503 -9.642 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.088 6.139 -8.455 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.977 5.861 -9.940 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -7.732 4.740 -8.230 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -6.952 5.831 -7.102 1.00 0.00 H new ATOM 0 HE ARG A 16 -7.578 7.334 -9.435 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -9.192 5.601 -6.817 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -10.627 6.631 -6.863 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -9.424 8.653 -9.489 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -10.758 8.352 -8.370 1.00 0.00 H new ATOM 197 N LEU A 17 -6.501 1.203 -7.295 1.00 0.00 N ATOM 198 CA LEU A 17 -6.594 -0.249 -7.402 1.00 0.00 C ATOM 199 C LEU A 17 -6.066 -0.731 -8.749 1.00 0.00 C ATOM 200 O LEU A 17 -6.311 -0.107 -9.781 1.00 0.00 O ATOM 201 CB LEU A 17 -8.044 -0.701 -7.217 1.00 0.00 C ATOM 202 CG LEU A 17 -8.241 -2.094 -6.617 1.00 0.00 C ATOM 203 CD1 LEU A 17 -9.579 -2.181 -5.899 1.00 0.00 C ATOM 204 CD2 LEU A 17 -8.144 -3.159 -7.699 1.00 0.00 C ATOM 0 H LEU A 17 -7.311 1.647 -6.863 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.980 -0.687 -6.615 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.551 0.023 -6.579 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.539 -0.672 -8.187 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.449 -2.271 -5.889 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -9.702 -3.179 -5.478 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.610 -1.443 -5.097 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -10.385 -1.983 -6.606 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.287 -4.144 -7.254 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.914 -2.985 -8.451 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.162 -3.112 -8.169 1.00 0.00 H new ATOM 216 N GLN A 18 -5.343 -1.846 -8.731 1.00 0.00 N ATOM 217 CA GLN A 18 -4.783 -2.412 -9.952 1.00 0.00 C ATOM 218 C GLN A 18 -5.644 -3.563 -10.464 1.00 0.00 C ATOM 219 O GLN A 18 -6.083 -4.414 -9.692 1.00 0.00 O ATOM 220 CB GLN A 18 -3.354 -2.900 -9.704 1.00 0.00 C ATOM 221 CG GLN A 18 -2.460 -2.811 -10.930 1.00 0.00 C ATOM 222 CD GLN A 18 -1.292 -3.777 -10.871 1.00 0.00 C ATOM 223 OE1 GLN A 18 -1.474 -4.993 -10.926 1.00 0.00 O ATOM 224 NE2 GLN A 18 -0.084 -3.238 -10.760 1.00 0.00 N ATOM 0 H GLN A 18 -5.131 -2.375 -7.885 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.766 -1.630 -10.711 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.913 -2.312 -8.899 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.386 -3.935 -9.362 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.052 -3.016 -11.822 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.081 -1.794 -11.026 1.00 0.00 H new ATOM 0 HE21 GLN A 18 0.020 -2.224 -10.718 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.740 -3.838 -10.717 1.00 0.00 H new ATOM 233 N GLY A 19 -5.881 -3.581 -11.772 1.00 0.00 N ATOM 234 CA GLY A 19 -6.689 -4.631 -12.364 1.00 0.00 C ATOM 235 C GLY A 19 -7.993 -4.848 -11.622 1.00 0.00 C ATOM 236 O GLY A 19 -8.950 -4.096 -11.803 1.00 0.00 O ATOM 0 H GLY A 19 -5.528 -2.888 -12.432 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -6.903 -4.378 -13.402 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -6.121 -5.561 -12.373 1.00 0.00 H new ATOM 240 N ARG A 20 -8.031 -5.880 -10.786 1.00 0.00 N ATOM 241 CA ARG A 20 -9.228 -6.196 -10.016 1.00 0.00 C ATOM 242 C ARG A 20 -8.861 -6.732 -8.635 1.00 0.00 C ATOM 243 O ARG A 20 -7.897 -7.480 -8.469 1.00 0.00 O ATOM 244 CB ARG A 20 -10.085 -7.221 -10.762 1.00 0.00 C ATOM 245 CG ARG A 20 -10.700 -6.683 -12.044 1.00 0.00 C ATOM 246 CD ARG A 20 -11.884 -5.774 -11.754 1.00 0.00 C ATOM 247 NE ARG A 20 -13.059 -6.526 -11.322 1.00 0.00 N ATOM 248 CZ ARG A 20 -13.761 -7.318 -12.124 1.00 0.00 C ATOM 249 NH1 ARG A 20 -13.409 -7.460 -13.394 1.00 0.00 N ATOM 250 NH2 ARG A 20 -14.818 -7.969 -11.656 1.00 0.00 N ATOM 0 H ARG A 20 -7.247 -6.512 -10.624 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.801 -5.277 -9.889 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.472 -8.090 -11.000 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.882 -7.564 -10.103 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.947 -6.133 -12.607 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.023 -7.514 -12.671 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.609 -5.056 -10.981 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -12.129 -5.201 -12.649 1.00 0.00 H new ATOM 0 HE ARG A 20 -13.357 -6.438 -10.350 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.597 -6.960 -13.757 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -13.950 -8.069 -14.008 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -15.092 -7.861 -10.679 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -15.357 -8.577 -12.273 1.00 0.00 H new ATOM 264 N PRO A 21 -9.647 -6.343 -7.621 1.00 0.00 N ATOM 265 CA PRO A 21 -9.425 -6.773 -6.237 1.00 0.00 C ATOM 266 C PRO A 21 -9.729 -8.253 -6.034 1.00 0.00 C ATOM 267 O PRO A 21 -10.339 -8.895 -6.889 1.00 0.00 O ATOM 268 CB PRO A 21 -10.403 -5.910 -5.436 1.00 0.00 C ATOM 269 CG PRO A 21 -11.482 -5.563 -6.403 1.00 0.00 C ATOM 270 CD PRO A 21 -10.814 -5.453 -7.746 1.00 0.00 C ATOM 0 HA PRO A 21 -8.385 -6.653 -5.935 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.800 -6.453 -4.578 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -9.916 -5.015 -5.049 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -12.257 -6.329 -6.414 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -11.965 -4.625 -6.129 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.477 -5.770 -8.551 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.516 -4.427 -7.964 1.00 0.00 H new ATOM 278 N LYS A 22 -9.301 -8.789 -4.896 1.00 0.00 N ATOM 279 CA LYS A 22 -9.529 -10.194 -4.578 1.00 0.00 C ATOM 280 C LYS A 22 -10.320 -10.337 -3.282 1.00 0.00 C ATOM 281 O LYS A 22 -10.726 -9.345 -2.679 1.00 0.00 O ATOM 282 CB LYS A 22 -8.195 -10.934 -4.459 1.00 0.00 C ATOM 283 CG LYS A 22 -7.287 -10.749 -5.663 1.00 0.00 C ATOM 284 CD LYS A 22 -7.537 -11.812 -6.719 1.00 0.00 C ATOM 285 CE LYS A 22 -7.035 -11.370 -8.085 1.00 0.00 C ATOM 286 NZ LYS A 22 -7.663 -12.151 -9.186 1.00 0.00 N ATOM 0 H LYS A 22 -8.794 -8.271 -4.178 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.111 -10.635 -5.388 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.675 -10.587 -3.566 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.390 -11.998 -4.322 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.450 -9.761 -6.094 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.246 -10.790 -5.344 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.040 -12.738 -6.430 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.604 -12.027 -6.775 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.248 -10.310 -8.225 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.952 -11.486 -8.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -7.295 -11.820 -10.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -7.439 -13.160 -9.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.694 -12.020 -9.160 1.00 0.00 H new ATOM 300 N ALA A 23 -10.532 -11.579 -2.858 1.00 0.00 N ATOM 301 CA ALA A 23 -11.271 -11.851 -1.631 1.00 0.00 C ATOM 302 C ALA A 23 -10.493 -11.380 -0.406 1.00 0.00 C ATOM 303 O ALA A 23 -11.007 -10.617 0.413 1.00 0.00 O ATOM 304 CB ALA A 23 -11.583 -13.336 -1.521 1.00 0.00 C ATOM 0 H ALA A 23 -10.203 -12.412 -3.346 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.208 -11.296 -1.670 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.135 -13.525 -0.600 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.185 -13.645 -2.375 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.652 -13.903 -1.509 1.00 0.00 H new ATOM 310 N LYS A 24 -9.252 -11.839 -0.286 1.00 0.00 N ATOM 311 CA LYS A 24 -8.403 -11.465 0.838 1.00 0.00 C ATOM 312 C LYS A 24 -7.150 -10.741 0.356 1.00 0.00 C ATOM 313 O LYS A 24 -6.171 -10.620 1.092 1.00 0.00 O ATOM 314 CB LYS A 24 -8.009 -12.707 1.642 1.00 0.00 C ATOM 315 CG LYS A 24 -9.187 -13.593 2.009 1.00 0.00 C ATOM 316 CD LYS A 24 -8.919 -14.379 3.281 1.00 0.00 C ATOM 317 CE LYS A 24 -10.214 -14.806 3.955 1.00 0.00 C ATOM 318 NZ LYS A 24 -10.720 -16.099 3.417 1.00 0.00 N ATOM 0 H LYS A 24 -8.812 -12.471 -0.954 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.969 -10.789 1.479 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.292 -13.291 1.065 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.503 -12.393 2.555 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.078 -12.979 2.141 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.393 -14.283 1.191 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.322 -15.260 3.047 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.333 -13.770 3.969 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.051 -14.899 5.029 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.969 -14.033 3.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.604 -16.355 3.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.900 -16.004 2.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.010 -16.842 3.575 1.00 0.00 H new ATOM 332 N GLU A 25 -7.190 -10.259 -0.882 1.00 0.00 N ATOM 333 CA GLU A 25 -6.058 -9.545 -1.460 1.00 0.00 C ATOM 334 C GLU A 25 -6.533 -8.411 -2.363 1.00 0.00 C ATOM 335 O GLU A 25 -7.634 -8.461 -2.913 1.00 0.00 O ATOM 336 CB GLU A 25 -5.172 -10.508 -2.255 1.00 0.00 C ATOM 337 CG GLU A 25 -4.534 -11.591 -1.403 1.00 0.00 C ATOM 338 CD GLU A 25 -4.017 -12.754 -2.229 1.00 0.00 C ATOM 339 OE1 GLU A 25 -3.412 -12.502 -3.292 1.00 0.00 O ATOM 340 OE2 GLU A 25 -4.216 -13.913 -1.811 1.00 0.00 O ATOM 0 H GLU A 25 -7.994 -10.350 -1.504 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.476 -9.116 -0.644 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.770 -10.977 -3.036 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.387 -9.939 -2.753 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.711 -11.161 -0.832 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.264 -11.958 -0.682 1.00 0.00 H new ATOM 347 N ILE A 26 -5.696 -7.390 -2.511 1.00 0.00 N ATOM 348 CA ILE A 26 -6.030 -6.243 -3.347 1.00 0.00 C ATOM 349 C ILE A 26 -4.773 -5.587 -3.908 1.00 0.00 C ATOM 350 O ILE A 26 -3.861 -5.231 -3.161 1.00 0.00 O ATOM 351 CB ILE A 26 -6.838 -5.192 -2.564 1.00 0.00 C ATOM 352 CG1 ILE A 26 -8.073 -5.835 -1.930 1.00 0.00 C ATOM 353 CG2 ILE A 26 -7.241 -4.045 -3.479 1.00 0.00 C ATOM 354 CD1 ILE A 26 -8.955 -4.852 -1.193 1.00 0.00 C ATOM 0 H ILE A 26 -4.781 -7.333 -2.063 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.639 -6.619 -4.169 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.211 -4.792 -1.767 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.659 -6.323 -2.709 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.752 -6.613 -1.237 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.812 -3.310 -2.911 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.347 -3.574 -3.887 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.854 -4.428 -4.295 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.811 -5.378 -0.769 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.385 -4.382 -0.392 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -9.306 -4.087 -1.886 1.00 0.00 H new ATOM 366 N GLN A 27 -4.732 -5.430 -5.227 1.00 0.00 N ATOM 367 CA GLN A 27 -3.587 -4.815 -5.888 1.00 0.00 C ATOM 368 C GLN A 27 -3.749 -3.300 -5.961 1.00 0.00 C ATOM 369 O GLN A 27 -4.858 -2.792 -6.132 1.00 0.00 O ATOM 370 CB GLN A 27 -3.414 -5.390 -7.294 1.00 0.00 C ATOM 371 CG GLN A 27 -3.085 -6.874 -7.309 1.00 0.00 C ATOM 372 CD GLN A 27 -3.435 -7.537 -8.626 1.00 0.00 C ATOM 373 OE1 GLN A 27 -4.111 -6.948 -9.471 1.00 0.00 O ATOM 374 NE2 GLN A 27 -2.976 -8.770 -8.810 1.00 0.00 N ATOM 0 H GLN A 27 -5.478 -5.720 -5.859 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.697 -5.038 -5.300 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.330 -5.224 -7.861 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.620 -4.845 -7.805 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -2.022 -7.008 -7.111 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.625 -7.370 -6.502 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -2.420 -9.221 -8.084 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.180 -9.266 -9.678 1.00 0.00 H new ATOM 383 N LEU A 28 -2.638 -2.584 -5.832 1.00 0.00 N ATOM 384 CA LEU A 28 -2.657 -1.126 -5.883 1.00 0.00 C ATOM 385 C LEU A 28 -1.586 -0.601 -6.834 1.00 0.00 C ATOM 386 O LEU A 28 -0.586 -1.273 -7.091 1.00 0.00 O ATOM 387 CB LEU A 28 -2.444 -0.544 -4.485 1.00 0.00 C ATOM 388 CG LEU A 28 -3.410 -1.027 -3.402 1.00 0.00 C ATOM 389 CD1 LEU A 28 -2.763 -0.934 -2.029 1.00 0.00 C ATOM 390 CD2 LEU A 28 -4.700 -0.221 -3.442 1.00 0.00 C ATOM 0 H LEU A 28 -1.712 -2.989 -5.691 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.632 -0.813 -6.255 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.428 -0.777 -4.167 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.516 0.542 -4.550 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.651 -2.072 -3.596 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.465 -1.282 -1.271 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.867 -1.555 -2.006 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.492 0.102 -1.824 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.376 -0.578 -2.665 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.476 0.832 -3.273 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.173 -0.339 -4.417 1.00 0.00 H new ATOM 402 N ARG A 29 -1.800 0.604 -7.351 1.00 0.00 N ATOM 403 CA ARG A 29 -0.853 1.219 -8.273 1.00 0.00 C ATOM 404 C ARG A 29 -0.833 2.735 -8.100 1.00 0.00 C ATOM 405 O ARG A 29 -1.753 3.431 -8.531 1.00 0.00 O ATOM 406 CB ARG A 29 -1.210 0.865 -9.717 1.00 0.00 C ATOM 407 CG ARG A 29 -0.328 1.550 -10.748 1.00 0.00 C ATOM 408 CD ARG A 29 0.889 0.705 -11.090 1.00 0.00 C ATOM 409 NE ARG A 29 1.546 1.161 -12.312 1.00 0.00 N ATOM 410 CZ ARG A 29 1.022 1.019 -13.525 1.00 0.00 C ATOM 411 NH1 ARG A 29 -0.160 0.438 -13.677 1.00 0.00 N ATOM 412 NH2 ARG A 29 1.681 1.460 -14.589 1.00 0.00 N ATOM 0 H ARG A 29 -2.621 1.174 -7.147 1.00 0.00 H new ATOM 0 HA ARG A 29 0.140 0.831 -8.046 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.135 -0.215 -9.847 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.249 1.137 -9.902 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.905 1.741 -11.653 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.004 2.518 -10.366 1.00 0.00 H new ATOM 0 HD2 ARG A 29 1.598 0.739 -10.263 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.586 -0.336 -11.208 1.00 0.00 H new ATOM 0 HE ARG A 29 2.457 1.613 -12.230 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.670 0.098 -12.862 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.559 0.331 -14.609 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.590 1.908 -14.476 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.278 1.351 -15.520 1.00 0.00 H new ATOM 426 N TRP A 30 0.220 3.239 -7.466 1.00 0.00 N ATOM 427 CA TRP A 30 0.359 4.673 -7.236 1.00 0.00 C ATOM 428 C TRP A 30 1.604 5.217 -7.927 1.00 0.00 C ATOM 429 O TRP A 30 2.327 4.480 -8.595 1.00 0.00 O ATOM 430 CB TRP A 30 0.423 4.965 -5.736 1.00 0.00 C ATOM 431 CG TRP A 30 1.576 4.297 -5.050 1.00 0.00 C ATOM 432 CD1 TRP A 30 2.774 4.863 -4.720 1.00 0.00 C ATOM 433 CD2 TRP A 30 1.639 2.935 -4.611 1.00 0.00 C ATOM 434 NE1 TRP A 30 3.579 3.935 -4.103 1.00 0.00 N ATOM 435 CE2 TRP A 30 2.905 2.745 -4.023 1.00 0.00 C ATOM 436 CE3 TRP A 30 0.749 1.859 -4.655 1.00 0.00 C ATOM 437 CZ2 TRP A 30 3.301 1.523 -3.487 1.00 0.00 C ATOM 438 CZ3 TRP A 30 1.143 0.646 -4.123 1.00 0.00 C ATOM 439 CH2 TRP A 30 2.409 0.486 -3.544 1.00 0.00 C ATOM 0 H TRP A 30 0.989 2.677 -7.102 1.00 0.00 H new ATOM 0 HA TRP A 30 -0.514 5.170 -7.659 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.494 6.042 -5.585 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -0.507 4.639 -5.270 1.00 0.00 H new ATOM 0 HD1 TRP A 30 3.049 5.889 -4.915 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.525 4.105 -3.760 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.230 1.973 -5.097 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.277 1.397 -3.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 0.464 -0.193 -4.154 1.00 0.00 H new ATOM 0 HH2 TRP A 30 2.686 -0.474 -3.135 1.00 0.00 H new ATOM 450 N GLY A 31 1.849 6.514 -7.761 1.00 0.00 N ATOM 451 CA GLY A 31 3.008 7.134 -8.375 1.00 0.00 C ATOM 452 C GLY A 31 3.698 8.117 -7.450 1.00 0.00 C ATOM 453 O GLY A 31 3.258 8.358 -6.326 1.00 0.00 O ATOM 0 H GLY A 31 1.265 7.145 -7.212 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.716 6.360 -8.671 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.701 7.650 -9.285 1.00 0.00 H new ATOM 457 N PRO A 32 4.808 8.702 -7.924 1.00 0.00 N ATOM 458 CA PRO A 32 5.585 9.673 -7.147 1.00 0.00 C ATOM 459 C PRO A 32 4.846 10.995 -6.967 1.00 0.00 C ATOM 460 O PRO A 32 4.211 11.509 -7.887 1.00 0.00 O ATOM 461 CB PRO A 32 6.846 9.876 -7.991 1.00 0.00 C ATOM 462 CG PRO A 32 6.428 9.543 -9.382 1.00 0.00 C ATOM 463 CD PRO A 32 5.390 8.462 -9.255 1.00 0.00 C ATOM 0 HA PRO A 32 5.785 9.319 -6.136 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.208 10.902 -7.921 1.00 0.00 H new ATOM 0 HB3 PRO A 32 7.656 9.228 -7.655 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.020 10.419 -9.887 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.277 9.201 -9.973 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.638 8.533 -10.041 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.833 7.469 -9.326 1.00 0.00 H new ATOM 471 N PRO A 33 4.930 11.560 -5.753 1.00 0.00 N ATOM 472 CA PRO A 33 4.276 12.830 -5.424 1.00 0.00 C ATOM 473 C PRO A 33 4.926 14.016 -6.129 1.00 0.00 C ATOM 474 O PRO A 33 6.036 13.908 -6.652 1.00 0.00 O ATOM 475 CB PRO A 33 4.461 12.942 -3.909 1.00 0.00 C ATOM 476 CG PRO A 33 5.674 12.130 -3.614 1.00 0.00 C ATOM 477 CD PRO A 33 5.670 11.002 -4.608 1.00 0.00 C ATOM 0 HA PRO A 33 3.234 12.846 -5.742 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.595 13.979 -3.602 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.590 12.561 -3.375 1.00 0.00 H new ATOM 0 HG2 PRO A 33 6.578 12.731 -3.710 1.00 0.00 H new ATOM 0 HG3 PRO A 33 5.650 11.750 -2.593 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.682 10.709 -4.888 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.181 10.114 -4.207 1.00 0.00 H new ATOM 485 N LEU A 34 4.229 15.147 -6.138 1.00 0.00 N ATOM 486 CA LEU A 34 4.739 16.354 -6.778 1.00 0.00 C ATOM 487 C LEU A 34 5.701 17.095 -5.856 1.00 0.00 C ATOM 488 O LEU A 34 6.719 17.626 -6.300 1.00 0.00 O ATOM 489 CB LEU A 34 3.582 17.274 -7.172 1.00 0.00 C ATOM 490 CG LEU A 34 2.998 17.058 -8.569 1.00 0.00 C ATOM 491 CD1 LEU A 34 1.556 17.539 -8.625 1.00 0.00 C ATOM 492 CD2 LEU A 34 3.841 17.770 -9.616 1.00 0.00 C ATOM 0 H LEU A 34 3.310 15.253 -5.709 1.00 0.00 H new ATOM 0 HA LEU A 34 5.282 16.057 -7.676 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.782 17.151 -6.442 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.924 18.306 -7.099 1.00 0.00 H new ATOM 0 HG LEU A 34 3.012 15.990 -8.786 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.157 17.377 -9.626 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.959 16.983 -7.902 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.517 18.602 -8.386 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.410 17.605 -10.604 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.860 18.839 -9.402 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.857 17.377 -9.593 1.00 0.00 H new ATOM 504 N VAL A 35 5.373 17.125 -4.568 1.00 0.00 N ATOM 505 CA VAL A 35 6.210 17.798 -3.581 1.00 0.00 C ATOM 506 C VAL A 35 7.054 16.796 -2.801 1.00 0.00 C ATOM 507 O VAL A 35 6.554 16.108 -1.911 1.00 0.00 O ATOM 508 CB VAL A 35 5.361 18.618 -2.591 1.00 0.00 C ATOM 509 CG1 VAL A 35 6.216 19.665 -1.894 1.00 0.00 C ATOM 510 CG2 VAL A 35 4.187 19.267 -3.308 1.00 0.00 C ATOM 0 H VAL A 35 4.534 16.691 -4.184 1.00 0.00 H new ATOM 0 HA VAL A 35 6.867 18.472 -4.130 1.00 0.00 H new ATOM 0 HB VAL A 35 4.966 17.943 -1.832 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.599 20.234 -1.199 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.020 19.173 -1.347 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.643 20.339 -2.636 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.598 19.842 -2.594 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.559 19.930 -4.089 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.562 18.494 -3.755 1.00 0.00 H new ATOM 520 N ASP A 36 8.335 16.719 -3.141 1.00 0.00 N ATOM 521 CA ASP A 36 9.250 15.802 -2.472 1.00 0.00 C ATOM 522 C ASP A 36 10.086 16.535 -1.427 1.00 0.00 C ATOM 523 O ASP A 36 11.125 16.041 -0.991 1.00 0.00 O ATOM 524 CB ASP A 36 10.166 15.126 -3.493 1.00 0.00 C ATOM 525 CG ASP A 36 11.216 16.070 -4.045 1.00 0.00 C ATOM 526 OD1 ASP A 36 11.859 16.778 -3.241 1.00 0.00 O ATOM 527 OD2 ASP A 36 11.395 16.102 -5.280 1.00 0.00 O ATOM 0 H ASP A 36 8.764 17.281 -3.876 1.00 0.00 H new ATOM 0 HA ASP A 36 8.657 15.040 -1.967 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.658 14.273 -3.026 1.00 0.00 H new ATOM 0 HB3 ASP A 36 9.564 14.736 -4.314 1.00 0.00 H new ATOM 532 N GLY A 37 9.626 17.717 -1.031 1.00 0.00 N ATOM 533 CA GLY A 37 10.344 18.499 -0.041 1.00 0.00 C ATOM 534 C GLY A 37 11.700 18.959 -0.538 1.00 0.00 C ATOM 535 O GLY A 37 12.559 19.348 0.252 1.00 0.00 O ATOM 0 H GLY A 37 8.769 18.148 -1.378 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.747 19.369 0.233 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.474 17.904 0.863 1.00 0.00 H new ATOM 539 N GLY A 38 11.894 18.912 -1.853 1.00 0.00 N ATOM 540 CA GLY A 38 13.158 19.328 -2.431 1.00 0.00 C ATOM 541 C GLY A 38 14.074 18.156 -2.726 1.00 0.00 C ATOM 542 O GLY A 38 14.879 18.207 -3.656 1.00 0.00 O ATOM 0 H GLY A 38 11.198 18.593 -2.528 1.00 0.00 H new ATOM 0 HA2 GLY A 38 12.969 19.878 -3.353 1.00 0.00 H new ATOM 0 HA3 GLY A 38 13.659 20.013 -1.747 1.00 0.00 H new ATOM 546 N SER A 39 13.953 17.098 -1.931 1.00 0.00 N ATOM 547 CA SER A 39 14.781 15.911 -2.108 1.00 0.00 C ATOM 548 C SER A 39 14.013 14.818 -2.845 1.00 0.00 C ATOM 549 O SER A 39 12.808 14.640 -2.663 1.00 0.00 O ATOM 550 CB SER A 39 15.257 15.389 -0.751 1.00 0.00 C ATOM 551 OG SER A 39 16.519 14.753 -0.863 1.00 0.00 O ATOM 0 H SER A 39 13.290 17.038 -1.158 1.00 0.00 H new ATOM 0 HA SER A 39 15.648 16.189 -2.707 1.00 0.00 H new ATOM 0 HB2 SER A 39 15.324 16.215 -0.043 1.00 0.00 H new ATOM 0 HB3 SER A 39 14.526 14.686 -0.352 1.00 0.00 H new ATOM 0 HG SER A 39 16.412 13.788 -0.730 1.00 0.00 H new ATOM 557 N PRO A 40 14.725 14.068 -3.698 1.00 0.00 N ATOM 558 CA PRO A 40 14.133 12.979 -4.480 1.00 0.00 C ATOM 559 C PRO A 40 13.737 11.790 -3.612 1.00 0.00 C ATOM 560 O PRO A 40 14.585 11.171 -2.968 1.00 0.00 O ATOM 561 CB PRO A 40 15.252 12.586 -5.447 1.00 0.00 C ATOM 562 CG PRO A 40 16.508 12.993 -4.758 1.00 0.00 C ATOM 563 CD PRO A 40 16.165 14.224 -3.965 1.00 0.00 C ATOM 0 HA PRO A 40 13.212 13.288 -4.975 1.00 0.00 H new ATOM 0 HB2 PRO A 40 15.241 11.515 -5.651 1.00 0.00 H new ATOM 0 HB3 PRO A 40 15.144 13.094 -6.405 1.00 0.00 H new ATOM 0 HG2 PRO A 40 16.871 12.198 -4.107 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.299 13.201 -5.479 1.00 0.00 H new ATOM 0 HD2 PRO A 40 16.741 14.280 -3.041 1.00 0.00 H new ATOM 0 HD3 PRO A 40 16.373 15.135 -4.527 1.00 0.00 H new ATOM 571 N ILE A 41 12.446 11.475 -3.598 1.00 0.00 N ATOM 572 CA ILE A 41 11.940 10.359 -2.810 1.00 0.00 C ATOM 573 C ILE A 41 12.962 9.229 -2.738 1.00 0.00 C ATOM 574 O ILE A 41 13.662 8.949 -3.710 1.00 0.00 O ATOM 575 CB ILE A 41 10.624 9.810 -3.391 1.00 0.00 C ATOM 576 CG1 ILE A 41 9.603 10.938 -3.553 1.00 0.00 C ATOM 577 CG2 ILE A 41 10.069 8.710 -2.499 1.00 0.00 C ATOM 578 CD1 ILE A 41 9.318 11.684 -2.268 1.00 0.00 C ATOM 0 H ILE A 41 11.731 11.978 -4.124 1.00 0.00 H new ATOM 0 HA ILE A 41 11.753 10.741 -1.806 1.00 0.00 H new ATOM 0 HB ILE A 41 10.827 9.385 -4.374 1.00 0.00 H new ATOM 0 HG12 ILE A 41 9.968 11.643 -4.300 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.671 10.522 -3.936 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.139 8.332 -2.923 1.00 0.00 H new ATOM 0 HG22 ILE A 41 10.793 7.898 -2.430 1.00 0.00 H new ATOM 0 HG23 ILE A 41 9.877 9.111 -1.504 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.586 12.469 -2.458 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.923 10.991 -1.525 1.00 0.00 H new ATOM 0 HD13 ILE A 41 10.240 12.130 -1.894 1.00 0.00 H new ATOM 590 N SER A 42 13.040 8.582 -1.579 1.00 0.00 N ATOM 591 CA SER A 42 13.977 7.483 -1.379 1.00 0.00 C ATOM 592 C SER A 42 13.235 6.182 -1.088 1.00 0.00 C ATOM 593 O SER A 42 13.806 5.095 -1.177 1.00 0.00 O ATOM 594 CB SER A 42 14.935 7.804 -0.230 1.00 0.00 C ATOM 595 OG SER A 42 15.948 6.820 -0.120 1.00 0.00 O ATOM 0 H SER A 42 12.466 8.800 -0.765 1.00 0.00 H new ATOM 0 HA SER A 42 14.551 7.356 -2.297 1.00 0.00 H new ATOM 0 HB2 SER A 42 15.389 8.781 -0.394 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.379 7.864 0.705 1.00 0.00 H new ATOM 0 HG SER A 42 15.562 5.934 -0.279 1.00 0.00 H new ATOM 601 N CYS A 43 11.958 6.302 -0.741 1.00 0.00 N ATOM 602 CA CYS A 43 11.136 5.136 -0.436 1.00 0.00 C ATOM 603 C CYS A 43 9.682 5.540 -0.211 1.00 0.00 C ATOM 604 O CYS A 43 9.361 6.726 -0.137 1.00 0.00 O ATOM 605 CB CYS A 43 11.675 4.416 0.801 1.00 0.00 C ATOM 606 SG CYS A 43 12.421 5.514 2.028 1.00 0.00 S ATOM 0 H CYS A 43 11.470 7.194 -0.664 1.00 0.00 H new ATOM 0 HA CYS A 43 11.178 4.459 -1.289 1.00 0.00 H new ATOM 0 HB2 CYS A 43 10.861 3.864 1.271 1.00 0.00 H new ATOM 0 HB3 CYS A 43 12.417 3.683 0.487 1.00 0.00 H new ATOM 0 HG CYS A 43 12.845 4.813 3.037 1.00 0.00 H new ATOM 612 N TYR A 44 8.808 4.546 -0.106 1.00 0.00 N ATOM 613 CA TYR A 44 7.387 4.797 0.106 1.00 0.00 C ATOM 614 C TYR A 44 6.829 3.887 1.196 1.00 0.00 C ATOM 615 O TYR A 44 7.528 3.011 1.706 1.00 0.00 O ATOM 616 CB TYR A 44 6.611 4.588 -1.196 1.00 0.00 C ATOM 617 CG TYR A 44 6.901 5.634 -2.249 1.00 0.00 C ATOM 618 CD1 TYR A 44 6.336 6.901 -2.171 1.00 0.00 C ATOM 619 CD2 TYR A 44 7.739 5.355 -3.321 1.00 0.00 C ATOM 620 CE1 TYR A 44 6.597 7.859 -3.131 1.00 0.00 C ATOM 621 CE2 TYR A 44 8.007 6.308 -4.284 1.00 0.00 C ATOM 622 CZ TYR A 44 7.434 7.558 -4.185 1.00 0.00 C ATOM 623 OH TYR A 44 7.697 8.511 -5.143 1.00 0.00 O ATOM 0 H TYR A 44 9.058 3.559 -0.164 1.00 0.00 H new ATOM 0 HA TYR A 44 7.271 5.832 0.428 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.851 3.604 -1.598 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.543 4.591 -0.977 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.682 7.141 -1.346 1.00 0.00 H new ATOM 0 HD2 TYR A 44 8.189 4.376 -3.403 1.00 0.00 H new ATOM 0 HE1 TYR A 44 6.148 8.838 -3.057 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.662 6.075 -5.110 1.00 0.00 H new ATOM 0 HH TYR A 44 8.305 8.140 -5.816 1.00 0.00 H new ATOM 633 N SER A 45 5.565 4.100 1.546 1.00 0.00 N ATOM 634 CA SER A 45 4.912 3.302 2.577 1.00 0.00 C ATOM 635 C SER A 45 3.397 3.328 2.406 1.00 0.00 C ATOM 636 O SER A 45 2.797 4.389 2.236 1.00 0.00 O ATOM 637 CB SER A 45 5.289 3.820 3.967 1.00 0.00 C ATOM 638 OG SER A 45 4.537 3.167 4.975 1.00 0.00 O ATOM 0 H SER A 45 4.972 4.819 1.131 1.00 0.00 H new ATOM 0 HA SER A 45 5.254 2.272 2.475 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.353 3.661 4.142 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.115 4.895 4.018 1.00 0.00 H new ATOM 0 HG SER A 45 5.065 3.122 5.799 1.00 0.00 H new ATOM 644 N VAL A 46 2.783 2.149 2.451 1.00 0.00 N ATOM 645 CA VAL A 46 1.337 2.035 2.302 1.00 0.00 C ATOM 646 C VAL A 46 0.686 1.570 3.600 1.00 0.00 C ATOM 647 O VAL A 46 0.870 0.430 4.024 1.00 0.00 O ATOM 648 CB VAL A 46 0.965 1.054 1.174 1.00 0.00 C ATOM 649 CG1 VAL A 46 -0.541 0.850 1.118 1.00 0.00 C ATOM 650 CG2 VAL A 46 1.494 1.554 -0.162 1.00 0.00 C ATOM 0 H VAL A 46 3.264 1.260 2.589 1.00 0.00 H new ATOM 0 HA VAL A 46 0.965 3.028 2.048 1.00 0.00 H new ATOM 0 HB VAL A 46 1.430 0.091 1.386 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.784 0.154 0.315 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.889 0.444 2.068 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.031 1.806 0.931 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.222 0.849 -0.948 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.060 2.529 -0.383 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.579 1.643 -0.113 1.00 0.00 H new ATOM 660 N GLU A 47 -0.077 2.461 4.225 1.00 0.00 N ATOM 661 CA GLU A 47 -0.755 2.142 5.476 1.00 0.00 C ATOM 662 C GLU A 47 -2.240 1.883 5.238 1.00 0.00 C ATOM 663 O GLU A 47 -3.021 2.816 5.048 1.00 0.00 O ATOM 664 CB GLU A 47 -0.579 3.280 6.483 1.00 0.00 C ATOM 665 CG GLU A 47 -1.224 3.005 7.831 1.00 0.00 C ATOM 666 CD GLU A 47 -0.990 4.123 8.828 1.00 0.00 C ATOM 667 OE1 GLU A 47 -1.596 5.203 8.661 1.00 0.00 O ATOM 668 OE2 GLU A 47 -0.203 3.920 9.775 1.00 0.00 O ATOM 0 H GLU A 47 -0.241 3.409 3.886 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.306 1.236 5.882 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.486 3.463 6.630 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.005 4.192 6.065 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.296 2.863 7.695 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.828 2.073 8.236 1.00 0.00 H new ATOM 675 N MET A 48 -2.623 0.611 5.250 1.00 0.00 N ATOM 676 CA MET A 48 -4.014 0.229 5.036 1.00 0.00 C ATOM 677 C MET A 48 -4.738 0.047 6.367 1.00 0.00 C ATOM 678 O MET A 48 -4.159 -0.440 7.337 1.00 0.00 O ATOM 679 CB MET A 48 -4.092 -1.062 4.219 1.00 0.00 C ATOM 680 CG MET A 48 -5.508 -1.585 4.042 1.00 0.00 C ATOM 681 SD MET A 48 -5.554 -3.338 3.625 1.00 0.00 S ATOM 682 CE MET A 48 -5.201 -4.075 5.219 1.00 0.00 C ATOM 0 H MET A 48 -1.990 -0.173 5.406 1.00 0.00 H new ATOM 0 HA MET A 48 -4.503 1.030 4.482 1.00 0.00 H new ATOM 0 HB2 MET A 48 -3.652 -0.888 3.237 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.489 -1.828 4.707 1.00 0.00 H new ATOM 0 HG2 MET A 48 -6.070 -1.419 4.961 1.00 0.00 H new ATOM 0 HG3 MET A 48 -6.006 -1.016 3.257 1.00 0.00 H new ATOM 0 HE1 MET A 48 -4.312 -4.700 5.142 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.029 -3.288 5.953 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.048 -4.685 5.533 1.00 0.00 H new ATOM 692 N SER A 49 -6.007 0.440 6.404 1.00 0.00 N ATOM 693 CA SER A 49 -6.808 0.324 7.617 1.00 0.00 C ATOM 694 C SER A 49 -8.266 0.025 7.278 1.00 0.00 C ATOM 695 O SER A 49 -8.850 0.610 6.366 1.00 0.00 O ATOM 696 CB SER A 49 -6.717 1.610 8.439 1.00 0.00 C ATOM 697 OG SER A 49 -7.896 1.814 9.199 1.00 0.00 O ATOM 0 H SER A 49 -6.503 0.842 5.608 1.00 0.00 H new ATOM 0 HA SER A 49 -6.413 -0.503 8.206 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.856 1.560 9.105 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.557 2.459 7.775 1.00 0.00 H new ATOM 0 HG SER A 49 -7.812 2.642 9.717 1.00 0.00 H new ATOM 703 N PRO A 50 -8.868 -0.908 8.030 1.00 0.00 N ATOM 704 CA PRO A 50 -10.264 -1.306 7.830 1.00 0.00 C ATOM 705 C PRO A 50 -11.243 -0.209 8.233 1.00 0.00 C ATOM 706 O PRO A 50 -11.446 0.049 9.420 1.00 0.00 O ATOM 707 CB PRO A 50 -10.420 -2.525 8.744 1.00 0.00 C ATOM 708 CG PRO A 50 -9.387 -2.340 9.801 1.00 0.00 C ATOM 709 CD PRO A 50 -8.231 -1.646 9.135 1.00 0.00 C ATOM 0 HA PRO A 50 -10.483 -1.511 6.782 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.421 -2.573 9.173 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.263 -3.454 8.195 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.776 -1.744 10.627 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -9.079 -3.299 10.217 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.715 -0.975 9.822 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.491 -2.358 8.769 1.00 0.00 H new ATOM 717 N ILE A 51 -11.847 0.433 7.239 1.00 0.00 N ATOM 718 CA ILE A 51 -12.806 1.501 7.492 1.00 0.00 C ATOM 719 C ILE A 51 -13.627 1.218 8.745 1.00 0.00 C ATOM 720 O ILE A 51 -13.925 2.125 9.522 1.00 0.00 O ATOM 721 CB ILE A 51 -13.761 1.694 6.299 1.00 0.00 C ATOM 722 CG1 ILE A 51 -15.024 2.436 6.743 1.00 0.00 C ATOM 723 CG2 ILE A 51 -14.120 0.349 5.685 1.00 0.00 C ATOM 724 CD1 ILE A 51 -15.656 3.263 5.646 1.00 0.00 C ATOM 0 H ILE A 51 -11.689 0.232 6.251 1.00 0.00 H new ATOM 0 HA ILE A 51 -12.229 2.415 7.637 1.00 0.00 H new ATOM 0 HB ILE A 51 -13.256 2.294 5.542 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -15.753 1.711 7.106 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.777 3.087 7.581 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -14.795 0.502 4.843 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -13.213 -0.146 5.337 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -14.609 -0.274 6.434 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -16.546 3.760 6.032 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -14.944 4.011 5.298 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -15.935 2.614 4.816 1.00 0.00 H new ATOM 736 N GLU A 52 -13.989 -0.047 8.936 1.00 0.00 N ATOM 737 CA GLU A 52 -14.775 -0.450 10.096 1.00 0.00 C ATOM 738 C GLU A 52 -14.086 -0.031 11.392 1.00 0.00 C ATOM 739 O GLU A 52 -14.715 0.530 12.290 1.00 0.00 O ATOM 740 CB GLU A 52 -14.997 -1.963 10.090 1.00 0.00 C ATOM 741 CG GLU A 52 -13.737 -2.762 9.801 1.00 0.00 C ATOM 742 CD GLU A 52 -13.972 -4.259 9.843 1.00 0.00 C ATOM 743 OE1 GLU A 52 -14.679 -4.723 10.762 1.00 0.00 O ATOM 744 OE2 GLU A 52 -13.449 -4.967 8.957 1.00 0.00 O ATOM 0 H GLU A 52 -13.750 -0.810 8.302 1.00 0.00 H new ATOM 0 HA GLU A 52 -15.741 0.051 10.039 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -15.396 -2.267 11.058 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -15.752 -2.208 9.343 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -13.354 -2.486 8.819 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -12.969 -2.498 10.528 1.00 0.00 H new ATOM 751 N LYS A 53 -12.790 -0.308 11.482 1.00 0.00 N ATOM 752 CA LYS A 53 -12.013 0.040 12.666 1.00 0.00 C ATOM 753 C LYS A 53 -10.704 0.720 12.278 1.00 0.00 C ATOM 754 O LYS A 53 -10.046 0.319 11.318 1.00 0.00 O ATOM 755 CB LYS A 53 -11.722 -1.213 13.496 1.00 0.00 C ATOM 756 CG LYS A 53 -10.733 -2.161 12.841 1.00 0.00 C ATOM 757 CD LYS A 53 -10.502 -3.400 13.690 1.00 0.00 C ATOM 758 CE LYS A 53 -10.056 -4.581 12.842 1.00 0.00 C ATOM 759 NZ LYS A 53 -11.213 -5.307 12.249 1.00 0.00 N ATOM 0 H LYS A 53 -12.255 -0.773 10.749 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.601 0.737 13.264 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -11.334 -0.912 14.469 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -12.657 -1.744 13.676 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.105 -2.455 11.860 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.785 -1.646 12.681 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.747 -3.188 14.447 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.420 -3.656 14.219 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.401 -4.229 12.045 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.472 -5.268 13.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -10.867 -6.105 11.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.825 -5.665 13.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.756 -4.659 11.644 1.00 0.00 H new ATOM 773 N ASP A 54 -10.332 1.749 13.031 1.00 0.00 N ATOM 774 CA ASP A 54 -9.100 2.484 12.766 1.00 0.00 C ATOM 775 C ASP A 54 -7.883 1.684 13.220 1.00 0.00 C ATOM 776 O ASP A 54 -7.296 1.968 14.263 1.00 0.00 O ATOM 777 CB ASP A 54 -9.127 3.839 13.474 1.00 0.00 C ATOM 778 CG ASP A 54 -8.064 4.786 12.953 1.00 0.00 C ATOM 779 OD1 ASP A 54 -8.084 5.091 11.742 1.00 0.00 O ATOM 780 OD2 ASP A 54 -7.212 5.221 13.755 1.00 0.00 O ATOM 0 H ASP A 54 -10.865 2.093 13.829 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.027 2.646 11.691 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.109 4.294 13.345 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.983 3.689 14.544 1.00 0.00 H new ATOM 785 N GLU A 55 -7.511 0.682 12.429 1.00 0.00 N ATOM 786 CA GLU A 55 -6.364 -0.160 12.751 1.00 0.00 C ATOM 787 C GLU A 55 -5.324 -0.112 11.636 1.00 0.00 C ATOM 788 O GLU A 55 -5.119 -1.079 10.902 1.00 0.00 O ATOM 789 CB GLU A 55 -6.813 -1.604 12.983 1.00 0.00 C ATOM 790 CG GLU A 55 -5.873 -2.398 13.874 1.00 0.00 C ATOM 791 CD GLU A 55 -6.269 -2.342 15.337 1.00 0.00 C ATOM 792 OE1 GLU A 55 -7.157 -3.121 15.741 1.00 0.00 O ATOM 793 OE2 GLU A 55 -5.691 -1.519 16.077 1.00 0.00 O ATOM 0 H GLU A 55 -7.987 0.434 11.562 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.909 0.223 13.665 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.807 -1.599 13.431 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.900 -2.108 12.020 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.858 -3.437 13.545 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.860 -2.013 13.761 1.00 0.00 H new ATOM 800 N PRO A 56 -4.651 1.041 11.504 1.00 0.00 N ATOM 801 CA PRO A 56 -3.620 1.243 10.481 1.00 0.00 C ATOM 802 C PRO A 56 -2.362 0.427 10.756 1.00 0.00 C ATOM 803 O PRO A 56 -1.875 0.382 11.886 1.00 0.00 O ATOM 804 CB PRO A 56 -3.317 2.741 10.575 1.00 0.00 C ATOM 805 CG PRO A 56 -3.683 3.115 11.970 1.00 0.00 C ATOM 806 CD PRO A 56 -4.844 2.235 12.344 1.00 0.00 C ATOM 0 HA PRO A 56 -3.956 0.923 9.495 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.266 2.946 10.373 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.897 3.309 9.848 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.843 2.962 12.648 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.956 4.168 12.033 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.834 1.986 13.405 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -5.798 2.720 12.140 1.00 0.00 H new ATOM 814 N ARG A 57 -1.841 -0.217 9.717 1.00 0.00 N ATOM 815 CA ARG A 57 -0.640 -1.032 9.847 1.00 0.00 C ATOM 816 C ARG A 57 0.100 -1.128 8.516 1.00 0.00 C ATOM 817 O ARG A 57 -0.498 -1.434 7.485 1.00 0.00 O ATOM 818 CB ARG A 57 -1.000 -2.434 10.344 1.00 0.00 C ATOM 819 CG ARG A 57 -1.556 -3.341 9.259 1.00 0.00 C ATOM 820 CD ARG A 57 -2.848 -2.787 8.677 1.00 0.00 C ATOM 821 NE ARG A 57 -3.740 -3.847 8.218 1.00 0.00 N ATOM 822 CZ ARG A 57 -4.515 -4.558 9.029 1.00 0.00 C ATOM 823 NH1 ARG A 57 -4.507 -4.323 10.334 1.00 0.00 N ATOM 824 NH2 ARG A 57 -5.301 -5.507 8.535 1.00 0.00 N ATOM 0 H ARG A 57 -2.232 -0.190 8.775 1.00 0.00 H new ATOM 0 HA ARG A 57 0.016 -0.553 10.574 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.112 -2.897 10.773 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.734 -2.349 11.146 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.818 -3.455 8.465 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.738 -4.334 9.671 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -3.357 -2.186 9.431 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -2.615 -2.123 7.844 1.00 0.00 H new ATOM 0 HE ARG A 57 -3.770 -4.053 7.219 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -3.905 -3.595 10.717 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -5.103 -4.871 10.954 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -5.310 -5.691 7.532 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.896 -6.052 9.159 1.00 0.00 H new ATOM 838 N GLU A 58 1.402 -0.864 8.548 1.00 0.00 N ATOM 839 CA GLU A 58 2.222 -0.919 7.343 1.00 0.00 C ATOM 840 C GLU A 58 2.064 -2.264 6.639 1.00 0.00 C ATOM 841 O GLU A 58 2.525 -3.293 7.132 1.00 0.00 O ATOM 842 CB GLU A 58 3.693 -0.682 7.690 1.00 0.00 C ATOM 843 CG GLU A 58 4.644 -0.976 6.541 1.00 0.00 C ATOM 844 CD GLU A 58 6.093 -1.035 6.984 1.00 0.00 C ATOM 845 OE1 GLU A 58 6.493 -0.194 7.816 1.00 0.00 O ATOM 846 OE2 GLU A 58 6.827 -1.921 6.499 1.00 0.00 O ATOM 0 H GLU A 58 1.912 -0.610 9.394 1.00 0.00 H new ATOM 0 HA GLU A 58 1.884 -0.133 6.668 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.822 0.355 8.001 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.962 -1.306 8.542 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.370 -1.925 6.081 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.533 -0.207 5.776 1.00 0.00 H new ATOM 853 N VAL A 59 1.409 -2.246 5.483 1.00 0.00 N ATOM 854 CA VAL A 59 1.190 -3.462 4.709 1.00 0.00 C ATOM 855 C VAL A 59 2.227 -3.603 3.601 1.00 0.00 C ATOM 856 O VAL A 59 2.348 -4.660 2.981 1.00 0.00 O ATOM 857 CB VAL A 59 -0.218 -3.485 4.085 1.00 0.00 C ATOM 858 CG1 VAL A 59 -1.282 -3.575 5.168 1.00 0.00 C ATOM 859 CG2 VAL A 59 -0.435 -2.255 3.215 1.00 0.00 C ATOM 0 H VAL A 59 1.021 -1.402 5.061 1.00 0.00 H new ATOM 0 HA VAL A 59 1.286 -4.298 5.401 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.301 -4.369 3.453 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.270 -3.590 4.707 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.137 -4.488 5.746 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.203 -2.712 5.828 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.435 -2.287 2.782 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.332 -1.356 3.823 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.306 -2.239 2.416 1.00 0.00 H new ATOM 869 N TYR A 60 2.975 -2.533 3.359 1.00 0.00 N ATOM 870 CA TYR A 60 4.002 -2.536 2.324 1.00 0.00 C ATOM 871 C TYR A 60 4.990 -1.393 2.534 1.00 0.00 C ATOM 872 O TYR A 60 4.648 -0.361 3.110 1.00 0.00 O ATOM 873 CB TYR A 60 3.361 -2.423 0.939 1.00 0.00 C ATOM 874 CG TYR A 60 4.361 -2.442 -0.194 1.00 0.00 C ATOM 875 CD1 TYR A 60 4.788 -3.642 -0.750 1.00 0.00 C ATOM 876 CD2 TYR A 60 4.880 -1.260 -0.709 1.00 0.00 C ATOM 877 CE1 TYR A 60 5.702 -3.664 -1.785 1.00 0.00 C ATOM 878 CE2 TYR A 60 5.794 -1.273 -1.745 1.00 0.00 C ATOM 879 CZ TYR A 60 6.202 -2.477 -2.280 1.00 0.00 C ATOM 880 OH TYR A 60 7.113 -2.494 -3.311 1.00 0.00 O ATOM 0 H TYR A 60 2.890 -1.652 3.866 1.00 0.00 H new ATOM 0 HA TYR A 60 4.545 -3.479 2.390 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.657 -3.245 0.805 1.00 0.00 H new ATOM 0 HB3 TYR A 60 2.785 -1.499 0.889 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.398 -4.573 -0.366 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.563 -0.315 -0.292 1.00 0.00 H new ATOM 0 HE1 TYR A 60 6.024 -4.606 -2.205 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.187 -0.345 -2.134 1.00 0.00 H new ATOM 0 HH TYR A 60 6.954 -3.280 -3.875 1.00 0.00 H new ATOM 890 N GLN A 61 6.217 -1.586 2.060 1.00 0.00 N ATOM 891 CA GLN A 61 7.256 -0.572 2.196 1.00 0.00 C ATOM 892 C GLN A 61 8.463 -0.909 1.326 1.00 0.00 C ATOM 893 O GLN A 61 9.080 -1.962 1.485 1.00 0.00 O ATOM 894 CB GLN A 61 7.686 -0.444 3.658 1.00 0.00 C ATOM 895 CG GLN A 61 8.479 0.820 3.951 1.00 0.00 C ATOM 896 CD GLN A 61 8.765 0.999 5.429 1.00 0.00 C ATOM 897 OE1 GLN A 61 9.702 0.409 5.968 1.00 0.00 O ATOM 898 NE2 GLN A 61 7.958 1.818 6.093 1.00 0.00 N ATOM 0 H GLN A 61 6.516 -2.434 1.579 1.00 0.00 H new ATOM 0 HA GLN A 61 6.844 0.380 1.862 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.799 -0.462 4.292 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.288 -1.311 3.928 1.00 0.00 H new ATOM 0 HG2 GLN A 61 9.421 0.789 3.404 1.00 0.00 H new ATOM 0 HG3 GLN A 61 7.926 1.685 3.584 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.194 2.286 5.606 1.00 0.00 H new ATOM 0 HE22 GLN A 61 8.102 1.979 7.090 1.00 0.00 H new ATOM 907 N GLY A 62 8.794 -0.008 0.407 1.00 0.00 N ATOM 908 CA GLY A 62 9.925 -0.229 -0.475 1.00 0.00 C ATOM 909 C GLY A 62 10.259 0.993 -1.307 1.00 0.00 C ATOM 910 O GLY A 62 10.259 2.115 -0.802 1.00 0.00 O ATOM 0 H GLY A 62 8.299 0.871 0.257 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.795 -0.510 0.118 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.707 -1.067 -1.137 1.00 0.00 H new ATOM 914 N SER A 63 10.547 0.775 -2.587 1.00 0.00 N ATOM 915 CA SER A 63 10.889 1.867 -3.490 1.00 0.00 C ATOM 916 C SER A 63 9.932 1.912 -4.677 1.00 0.00 C ATOM 917 O SER A 63 9.811 2.933 -5.352 1.00 0.00 O ATOM 918 CB SER A 63 12.328 1.714 -3.987 1.00 0.00 C ATOM 919 OG SER A 63 12.414 0.733 -5.006 1.00 0.00 O ATOM 0 H SER A 63 10.550 -0.148 -3.021 1.00 0.00 H new ATOM 0 HA SER A 63 10.799 2.803 -2.938 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.688 2.670 -4.367 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.976 1.437 -3.155 1.00 0.00 H new ATOM 0 HG SER A 63 13.343 0.655 -5.308 1.00 0.00 H new ATOM 925 N GLU A 64 9.253 0.795 -4.924 1.00 0.00 N ATOM 926 CA GLU A 64 8.306 0.707 -6.029 1.00 0.00 C ATOM 927 C GLU A 64 7.029 1.480 -5.715 1.00 0.00 C ATOM 928 O GLU A 64 6.800 1.888 -4.576 1.00 0.00 O ATOM 929 CB GLU A 64 7.970 -0.756 -6.325 1.00 0.00 C ATOM 930 CG GLU A 64 8.918 -1.410 -7.316 1.00 0.00 C ATOM 931 CD GLU A 64 8.255 -2.513 -8.118 1.00 0.00 C ATOM 932 OE1 GLU A 64 7.051 -2.385 -8.422 1.00 0.00 O ATOM 933 OE2 GLU A 64 8.941 -3.506 -8.441 1.00 0.00 O ATOM 0 H GLU A 64 9.341 -0.060 -4.374 1.00 0.00 H new ATOM 0 HA GLU A 64 8.771 1.151 -6.909 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.987 -1.320 -5.392 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.954 -0.815 -6.714 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.304 -0.652 -7.998 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.773 -1.820 -6.778 1.00 0.00 H new ATOM 940 N VAL A 65 6.199 1.679 -6.734 1.00 0.00 N ATOM 941 CA VAL A 65 4.944 2.403 -6.569 1.00 0.00 C ATOM 942 C VAL A 65 3.748 1.500 -6.848 1.00 0.00 C ATOM 943 O VAL A 65 2.644 1.979 -7.107 1.00 0.00 O ATOM 944 CB VAL A 65 4.876 3.629 -7.498 1.00 0.00 C ATOM 945 CG1 VAL A 65 6.122 4.487 -7.342 1.00 0.00 C ATOM 946 CG2 VAL A 65 4.698 3.192 -8.944 1.00 0.00 C ATOM 0 H VAL A 65 6.373 1.349 -7.683 1.00 0.00 H new ATOM 0 HA VAL A 65 4.907 2.740 -5.533 1.00 0.00 H new ATOM 0 HB VAL A 65 4.012 4.230 -7.215 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.056 5.349 -8.006 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.201 4.829 -6.310 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.003 3.899 -7.598 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.652 4.071 -9.587 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.541 2.568 -9.242 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.773 2.623 -9.041 1.00 0.00 H new ATOM 956 N GLU A 66 3.975 0.191 -6.794 1.00 0.00 N ATOM 957 CA GLU A 66 2.915 -0.779 -7.041 1.00 0.00 C ATOM 958 C GLU A 66 3.171 -2.072 -6.273 1.00 0.00 C ATOM 959 O GLU A 66 4.238 -2.676 -6.390 1.00 0.00 O ATOM 960 CB GLU A 66 2.805 -1.075 -8.538 1.00 0.00 C ATOM 961 CG GLU A 66 3.849 -2.057 -9.043 1.00 0.00 C ATOM 962 CD GLU A 66 3.389 -3.499 -8.947 1.00 0.00 C ATOM 963 OE1 GLU A 66 2.240 -3.782 -9.348 1.00 0.00 O ATOM 964 OE2 GLU A 66 4.176 -4.343 -8.470 1.00 0.00 O ATOM 0 H GLU A 66 4.883 -0.222 -6.581 1.00 0.00 H new ATOM 0 HA GLU A 66 1.976 -0.350 -6.692 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.812 -1.473 -8.749 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.899 -0.141 -9.092 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.089 -1.825 -10.081 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.767 -1.933 -8.468 1.00 0.00 H new ATOM 971 N CYS A 67 2.185 -2.491 -5.488 1.00 0.00 N ATOM 972 CA CYS A 67 2.302 -3.712 -4.698 1.00 0.00 C ATOM 973 C CYS A 67 0.949 -4.402 -4.560 1.00 0.00 C ATOM 974 O CYS A 67 -0.057 -3.934 -5.094 1.00 0.00 O ATOM 975 CB CYS A 67 2.871 -3.396 -3.314 1.00 0.00 C ATOM 976 SG CYS A 67 1.637 -2.828 -2.121 1.00 0.00 S ATOM 0 H CYS A 67 1.295 -2.003 -5.381 1.00 0.00 H new ATOM 0 HA CYS A 67 2.982 -4.387 -5.217 1.00 0.00 H new ATOM 0 HB2 CYS A 67 3.357 -4.289 -2.920 1.00 0.00 H new ATOM 0 HB3 CYS A 67 3.641 -2.632 -3.416 1.00 0.00 H new ATOM 0 HG CYS A 67 2.201 -2.037 -1.257 1.00 0.00 H new ATOM 982 N THR A 68 0.932 -5.521 -3.841 1.00 0.00 N ATOM 983 CA THR A 68 -0.296 -6.278 -3.635 1.00 0.00 C ATOM 984 C THR A 68 -0.528 -6.557 -2.155 1.00 0.00 C ATOM 985 O THR A 68 0.364 -7.039 -1.457 1.00 0.00 O ATOM 986 CB THR A 68 -0.267 -7.615 -4.400 1.00 0.00 C ATOM 987 OG1 THR A 68 -0.123 -7.373 -5.804 1.00 0.00 O ATOM 988 CG2 THR A 68 -1.538 -8.412 -4.145 1.00 0.00 C ATOM 0 H THR A 68 1.755 -5.922 -3.392 1.00 0.00 H new ATOM 0 HA THR A 68 -1.112 -5.666 -4.019 1.00 0.00 H new ATOM 0 HB THR A 68 0.584 -8.195 -4.043 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.104 -8.228 -6.283 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.495 -9.352 -4.695 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.629 -8.620 -3.079 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.402 -7.836 -4.478 1.00 0.00 H new ATOM 996 N VAL A 69 -1.732 -6.252 -1.681 1.00 0.00 N ATOM 997 CA VAL A 69 -2.082 -6.472 -0.283 1.00 0.00 C ATOM 998 C VAL A 69 -2.784 -7.812 -0.097 1.00 0.00 C ATOM 999 O VAL A 69 -3.414 -8.328 -1.020 1.00 0.00 O ATOM 1000 CB VAL A 69 -2.991 -5.349 0.252 1.00 0.00 C ATOM 1001 CG1 VAL A 69 -2.995 -5.344 1.773 1.00 0.00 C ATOM 1002 CG2 VAL A 69 -2.547 -4.000 -0.293 1.00 0.00 C ATOM 0 H VAL A 69 -2.482 -5.852 -2.245 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.149 -6.473 0.281 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.009 -5.536 -0.089 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.642 -4.544 2.133 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.364 -6.302 2.139 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.981 -5.182 2.139 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.200 -3.218 0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.521 -3.802 0.017 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.602 -4.011 -1.382 1.00 0.00 H new ATOM 1012 N SER A 70 -2.671 -8.371 1.104 1.00 0.00 N ATOM 1013 CA SER A 70 -3.293 -9.654 1.411 1.00 0.00 C ATOM 1014 C SER A 70 -3.713 -9.717 2.877 1.00 0.00 C ATOM 1015 O SER A 70 -3.482 -8.780 3.641 1.00 0.00 O ATOM 1016 CB SER A 70 -2.331 -10.800 1.095 1.00 0.00 C ATOM 1017 OG SER A 70 -1.459 -11.049 2.184 1.00 0.00 O ATOM 0 H SER A 70 -2.155 -7.956 1.880 1.00 0.00 H new ATOM 0 HA SER A 70 -4.184 -9.756 0.791 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.898 -11.702 0.866 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.748 -10.555 0.207 1.00 0.00 H new ATOM 0 HG SER A 70 -0.855 -11.787 1.958 1.00 0.00 H new ATOM 1023 N SER A 71 -4.331 -10.829 3.261 1.00 0.00 N ATOM 1024 CA SER A 71 -4.787 -11.014 4.634 1.00 0.00 C ATOM 1025 C SER A 71 -5.984 -10.118 4.934 1.00 0.00 C ATOM 1026 O SER A 71 -6.102 -9.565 6.029 1.00 0.00 O ATOM 1027 CB SER A 71 -3.652 -10.715 5.616 1.00 0.00 C ATOM 1028 OG SER A 71 -3.911 -11.291 6.885 1.00 0.00 O ATOM 0 H SER A 71 -4.527 -11.615 2.641 1.00 0.00 H new ATOM 0 HA SER A 71 -5.095 -12.053 4.752 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.713 -11.104 5.221 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.532 -9.637 5.720 1.00 0.00 H new ATOM 0 HG SER A 71 -4.789 -10.996 7.205 1.00 0.00 H new ATOM 1034 N LEU A 72 -6.871 -9.978 3.955 1.00 0.00 N ATOM 1035 CA LEU A 72 -8.061 -9.149 4.113 1.00 0.00 C ATOM 1036 C LEU A 72 -9.327 -9.998 4.063 1.00 0.00 C ATOM 1037 O LEU A 72 -9.274 -11.194 3.777 1.00 0.00 O ATOM 1038 CB LEU A 72 -8.108 -8.078 3.022 1.00 0.00 C ATOM 1039 CG LEU A 72 -6.756 -7.578 2.512 1.00 0.00 C ATOM 1040 CD1 LEU A 72 -6.937 -6.719 1.270 1.00 0.00 C ATOM 1041 CD2 LEU A 72 -6.031 -6.798 3.600 1.00 0.00 C ATOM 0 H LEU A 72 -6.789 -10.428 3.043 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.010 -8.664 5.088 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.669 -8.475 2.176 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.668 -7.224 3.403 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.148 -8.443 2.245 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.964 -6.373 0.922 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.414 -7.308 0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.563 -5.860 1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.071 -6.450 3.220 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.636 -5.941 3.898 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.867 -7.444 4.463 1.00 0.00 H new ATOM 1053 N LEU A 73 -10.464 -9.371 4.342 1.00 0.00 N ATOM 1054 CA LEU A 73 -11.746 -10.068 4.328 1.00 0.00 C ATOM 1055 C LEU A 73 -12.580 -9.649 3.121 1.00 0.00 C ATOM 1056 O LEU A 73 -12.672 -8.470 2.778 1.00 0.00 O ATOM 1057 CB LEU A 73 -12.517 -9.786 5.618 1.00 0.00 C ATOM 1058 CG LEU A 73 -11.796 -10.133 6.921 1.00 0.00 C ATOM 1059 CD1 LEU A 73 -12.542 -9.557 8.114 1.00 0.00 C ATOM 1060 CD2 LEU A 73 -11.645 -11.641 7.061 1.00 0.00 C ATOM 0 H LEU A 73 -10.525 -8.381 4.581 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.549 -11.138 4.257 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -12.774 -8.727 5.640 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -13.454 -10.341 5.586 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.801 -9.689 6.893 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -12.014 -9.814 9.032 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -12.598 -8.473 8.019 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.550 -9.971 8.147 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.130 -11.870 7.994 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.631 -12.106 7.067 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.066 -12.028 6.222 1.00 0.00 H new ATOM 1072 N PRO A 74 -13.205 -10.636 2.462 1.00 0.00 N ATOM 1073 CA PRO A 74 -14.045 -10.394 1.285 1.00 0.00 C ATOM 1074 C PRO A 74 -15.343 -9.674 1.638 1.00 0.00 C ATOM 1075 O PRO A 74 -15.850 -9.798 2.752 1.00 0.00 O ATOM 1076 CB PRO A 74 -14.339 -11.802 0.764 1.00 0.00 C ATOM 1077 CG PRO A 74 -14.209 -12.683 1.958 1.00 0.00 C ATOM 1078 CD PRO A 74 -13.140 -12.064 2.815 1.00 0.00 C ATOM 0 HA PRO A 74 -13.552 -9.750 0.557 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -15.338 -11.864 0.333 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.636 -12.089 -0.018 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -15.153 -12.749 2.499 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.937 -13.697 1.667 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -13.332 -12.225 3.876 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -12.158 -12.487 2.601 1.00 0.00 H new ATOM 1086 N GLY A 75 -15.877 -8.922 0.680 1.00 0.00 N ATOM 1087 CA GLY A 75 -17.111 -8.195 0.909 1.00 0.00 C ATOM 1088 C GLY A 75 -16.967 -7.131 1.979 1.00 0.00 C ATOM 1089 O GLY A 75 -17.949 -6.728 2.602 1.00 0.00 O ATOM 0 H GLY A 75 -15.476 -8.804 -0.251 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -17.432 -7.728 -0.022 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.893 -8.896 1.201 1.00 0.00 H new ATOM 1093 N LYS A 76 -15.738 -6.673 2.194 1.00 0.00 N ATOM 1094 CA LYS A 76 -15.467 -5.649 3.196 1.00 0.00 C ATOM 1095 C LYS A 76 -14.603 -4.534 2.615 1.00 0.00 C ATOM 1096 O LYS A 76 -13.738 -4.779 1.773 1.00 0.00 O ATOM 1097 CB LYS A 76 -14.771 -6.267 4.411 1.00 0.00 C ATOM 1098 CG LYS A 76 -15.656 -7.213 5.204 1.00 0.00 C ATOM 1099 CD LYS A 76 -16.621 -6.455 6.099 1.00 0.00 C ATOM 1100 CE LYS A 76 -15.987 -6.112 7.438 1.00 0.00 C ATOM 1101 NZ LYS A 76 -15.946 -7.289 8.350 1.00 0.00 N ATOM 0 H LYS A 76 -14.914 -6.995 1.687 1.00 0.00 H new ATOM 0 HA LYS A 76 -16.419 -5.221 3.509 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -13.885 -6.807 4.076 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -14.428 -5.468 5.068 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -16.217 -7.848 4.519 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -15.034 -7.870 5.812 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -16.938 -5.539 5.600 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -17.516 -7.056 6.262 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -14.974 -5.742 7.276 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -16.549 -5.306 7.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -15.569 -6.999 9.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -16.907 -7.668 8.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -15.333 -8.023 7.942 1.00 0.00 H new ATOM 1115 N THR A 77 -14.843 -3.308 3.069 1.00 0.00 N ATOM 1116 CA THR A 77 -14.087 -2.156 2.595 1.00 0.00 C ATOM 1117 C THR A 77 -12.865 -1.902 3.470 1.00 0.00 C ATOM 1118 O THR A 77 -12.821 -2.317 4.628 1.00 0.00 O ATOM 1119 CB THR A 77 -14.958 -0.886 2.567 1.00 0.00 C ATOM 1120 OG1 THR A 77 -16.123 -1.108 1.765 1.00 0.00 O ATOM 1121 CG2 THR A 77 -14.174 0.296 2.016 1.00 0.00 C ATOM 0 H THR A 77 -15.555 -3.087 3.765 1.00 0.00 H new ATOM 0 HA THR A 77 -13.762 -2.387 1.581 1.00 0.00 H new ATOM 0 HB THR A 77 -15.260 -0.657 3.589 1.00 0.00 H new ATOM 0 HG1 THR A 77 -16.672 -0.296 1.754 1.00 0.00 H new ATOM 0 HG21 THR A 77 -14.810 1.181 2.006 1.00 0.00 H new ATOM 0 HG22 THR A 77 -13.304 0.481 2.646 1.00 0.00 H new ATOM 0 HG23 THR A 77 -13.846 0.073 1.001 1.00 0.00 H new ATOM 1129 N TYR A 78 -11.874 -1.217 2.909 1.00 0.00 N ATOM 1130 CA TYR A 78 -10.650 -0.908 3.638 1.00 0.00 C ATOM 1131 C TYR A 78 -10.040 0.402 3.150 1.00 0.00 C ATOM 1132 O TYR A 78 -9.835 0.596 1.952 1.00 0.00 O ATOM 1133 CB TYR A 78 -9.638 -2.044 3.481 1.00 0.00 C ATOM 1134 CG TYR A 78 -9.946 -3.253 4.336 1.00 0.00 C ATOM 1135 CD1 TYR A 78 -10.983 -4.117 4.006 1.00 0.00 C ATOM 1136 CD2 TYR A 78 -9.200 -3.531 5.475 1.00 0.00 C ATOM 1137 CE1 TYR A 78 -11.268 -5.221 4.784 1.00 0.00 C ATOM 1138 CE2 TYR A 78 -9.478 -4.634 6.259 1.00 0.00 C ATOM 1139 CZ TYR A 78 -10.513 -5.475 5.910 1.00 0.00 C ATOM 1140 OH TYR A 78 -10.793 -6.575 6.688 1.00 0.00 O ATOM 0 H TYR A 78 -11.895 -0.865 1.952 1.00 0.00 H new ATOM 0 HA TYR A 78 -10.904 -0.798 4.692 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -9.606 -2.348 2.435 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -8.645 -1.673 3.736 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -11.577 -3.921 3.125 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -8.389 -2.874 5.752 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -12.078 -5.882 4.513 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -8.888 -4.836 7.140 1.00 0.00 H new ATOM 0 HH TYR A 78 -10.168 -6.610 7.442 1.00 0.00 H new ATOM 1150 N SER A 79 -9.753 1.299 4.088 1.00 0.00 N ATOM 1151 CA SER A 79 -9.170 2.594 3.754 1.00 0.00 C ATOM 1152 C SER A 79 -7.653 2.490 3.630 1.00 0.00 C ATOM 1153 O SER A 79 -6.954 2.228 4.609 1.00 0.00 O ATOM 1154 CB SER A 79 -9.535 3.631 4.818 1.00 0.00 C ATOM 1155 OG SER A 79 -8.568 3.663 5.852 1.00 0.00 O ATOM 0 H SER A 79 -9.914 1.153 5.085 1.00 0.00 H new ATOM 0 HA SER A 79 -9.576 2.911 2.793 1.00 0.00 H new ATOM 0 HB2 SER A 79 -9.613 4.616 4.358 1.00 0.00 H new ATOM 0 HB3 SER A 79 -10.513 3.397 5.238 1.00 0.00 H new ATOM 0 HG SER A 79 -7.989 2.875 5.783 1.00 0.00 H new ATOM 1161 N PHE A 80 -7.149 2.696 2.417 1.00 0.00 N ATOM 1162 CA PHE A 80 -5.715 2.625 2.162 1.00 0.00 C ATOM 1163 C PHE A 80 -5.095 4.019 2.149 1.00 0.00 C ATOM 1164 O PHE A 80 -5.799 5.022 2.029 1.00 0.00 O ATOM 1165 CB PHE A 80 -5.447 1.923 0.830 1.00 0.00 C ATOM 1166 CG PHE A 80 -5.832 0.471 0.829 1.00 0.00 C ATOM 1167 CD1 PHE A 80 -7.135 0.086 0.554 1.00 0.00 C ATOM 1168 CD2 PHE A 80 -4.892 -0.509 1.103 1.00 0.00 C ATOM 1169 CE1 PHE A 80 -7.492 -1.249 0.553 1.00 0.00 C ATOM 1170 CE2 PHE A 80 -5.243 -1.846 1.103 1.00 0.00 C ATOM 1171 CZ PHE A 80 -6.545 -2.216 0.827 1.00 0.00 C ATOM 0 H PHE A 80 -7.713 2.913 1.595 1.00 0.00 H new ATOM 0 HA PHE A 80 -5.256 2.050 2.967 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.996 2.437 0.041 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.387 2.010 0.590 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -7.880 0.838 0.338 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.873 -0.225 1.319 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -8.511 -1.536 0.338 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.501 -2.600 1.318 1.00 0.00 H new ATOM 0 HZ PHE A 80 -6.822 -3.260 0.826 1.00 0.00 H new ATOM 1181 N ARG A 81 -3.773 4.074 2.274 1.00 0.00 N ATOM 1182 CA ARG A 81 -3.058 5.344 2.278 1.00 0.00 C ATOM 1183 C ARG A 81 -1.671 5.189 1.662 1.00 0.00 C ATOM 1184 O ARG A 81 -1.233 4.077 1.363 1.00 0.00 O ATOM 1185 CB ARG A 81 -2.937 5.880 3.706 1.00 0.00 C ATOM 1186 CG ARG A 81 -4.139 6.696 4.154 1.00 0.00 C ATOM 1187 CD ARG A 81 -4.372 6.568 5.651 1.00 0.00 C ATOM 1188 NE ARG A 81 -3.387 7.320 6.424 1.00 0.00 N ATOM 1189 CZ ARG A 81 -3.566 7.680 7.690 1.00 0.00 C ATOM 1190 NH1 ARG A 81 -4.686 7.358 8.323 1.00 0.00 N ATOM 1191 NH2 ARG A 81 -2.623 8.363 8.327 1.00 0.00 N ATOM 0 H ARG A 81 -3.176 3.253 2.374 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.626 6.054 1.677 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -2.802 5.042 4.390 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.042 6.498 3.779 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -3.985 7.744 3.897 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.027 6.363 3.617 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.373 6.925 5.894 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -4.331 5.517 5.936 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.514 7.583 5.967 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.413 6.832 7.838 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -4.820 7.636 9.295 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -1.760 8.612 7.844 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -2.762 8.639 9.299 1.00 0.00 H new ATOM 1205 N LEU A 82 -0.983 6.310 1.476 1.00 0.00 N ATOM 1206 CA LEU A 82 0.355 6.299 0.895 1.00 0.00 C ATOM 1207 C LEU A 82 1.194 7.451 1.440 1.00 0.00 C ATOM 1208 O LEU A 82 0.674 8.527 1.733 1.00 0.00 O ATOM 1209 CB LEU A 82 0.271 6.392 -0.630 1.00 0.00 C ATOM 1210 CG LEU A 82 1.595 6.617 -1.362 1.00 0.00 C ATOM 1211 CD1 LEU A 82 2.485 5.389 -1.245 1.00 0.00 C ATOM 1212 CD2 LEU A 82 1.344 6.959 -2.824 1.00 0.00 C ATOM 0 H LEU A 82 -1.329 7.238 1.719 1.00 0.00 H new ATOM 0 HA LEU A 82 0.836 5.360 1.170 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.178 5.472 -1.006 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.407 7.206 -0.888 1.00 0.00 H new ATOM 0 HG LEU A 82 2.108 7.458 -0.895 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.422 5.568 -1.772 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.692 5.188 -0.194 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.979 4.530 -1.686 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.297 7.116 -3.330 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.810 6.139 -3.303 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.746 7.868 -2.888 1.00 0.00 H new ATOM 1224 N ARG A 83 2.496 7.216 1.571 1.00 0.00 N ATOM 1225 CA ARG A 83 3.408 8.234 2.080 1.00 0.00 C ATOM 1226 C ARG A 83 4.831 7.983 1.590 1.00 0.00 C ATOM 1227 O ARG A 83 5.324 6.857 1.635 1.00 0.00 O ATOM 1228 CB ARG A 83 3.380 8.255 3.610 1.00 0.00 C ATOM 1229 CG ARG A 83 4.046 7.047 4.248 1.00 0.00 C ATOM 1230 CD ARG A 83 4.189 7.219 5.752 1.00 0.00 C ATOM 1231 NE ARG A 83 4.586 5.977 6.410 1.00 0.00 N ATOM 1232 CZ ARG A 83 5.028 5.917 7.661 1.00 0.00 C ATOM 1233 NH1 ARG A 83 5.128 7.023 8.386 1.00 0.00 N ATOM 1234 NH2 ARG A 83 5.369 4.749 8.190 1.00 0.00 N ATOM 0 H ARG A 83 2.943 6.331 1.332 1.00 0.00 H new ATOM 0 HA ARG A 83 3.078 9.202 1.704 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.875 9.160 3.962 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.344 8.308 3.945 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.459 6.153 4.037 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.029 6.895 3.803 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.929 7.992 5.960 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.243 7.564 6.169 1.00 0.00 H new ATOM 0 HE ARG A 83 4.520 5.108 5.880 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.865 7.922 7.983 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.468 6.974 9.347 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.292 3.896 7.636 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.708 4.704 9.151 1.00 0.00 H new ATOM 1248 N ALA A 84 5.485 9.041 1.122 1.00 0.00 N ATOM 1249 CA ALA A 84 6.851 8.936 0.625 1.00 0.00 C ATOM 1250 C ALA A 84 7.852 9.431 1.662 1.00 0.00 C ATOM 1251 O ALA A 84 7.539 10.300 2.475 1.00 0.00 O ATOM 1252 CB ALA A 84 7.002 9.716 -0.673 1.00 0.00 C ATOM 0 H ALA A 84 5.091 9.981 1.077 1.00 0.00 H new ATOM 0 HA ALA A 84 7.061 7.884 0.430 1.00 0.00 H new ATOM 0 HB1 ALA A 84 8.027 9.629 -1.033 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.319 9.313 -1.421 1.00 0.00 H new ATOM 0 HB3 ALA A 84 6.768 10.766 -0.496 1.00 0.00 H new ATOM 1258 N ALA A 85 9.058 8.873 1.628 1.00 0.00 N ATOM 1259 CA ALA A 85 10.105 9.259 2.565 1.00 0.00 C ATOM 1260 C ALA A 85 11.373 9.680 1.829 1.00 0.00 C ATOM 1261 O ALA A 85 11.660 9.189 0.738 1.00 0.00 O ATOM 1262 CB ALA A 85 10.405 8.116 3.523 1.00 0.00 C ATOM 0 H ALA A 85 9.334 8.152 0.961 1.00 0.00 H new ATOM 0 HA ALA A 85 9.747 10.114 3.138 1.00 0.00 H new ATOM 0 HB1 ALA A 85 11.189 8.419 4.217 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.504 7.863 4.082 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.737 7.245 2.958 1.00 0.00 H new ATOM 1268 N ASN A 86 12.126 10.594 2.432 1.00 0.00 N ATOM 1269 CA ASN A 86 13.363 11.082 1.832 1.00 0.00 C ATOM 1270 C ASN A 86 14.438 11.289 2.894 1.00 0.00 C ATOM 1271 O ASN A 86 14.196 11.094 4.085 1.00 0.00 O ATOM 1272 CB ASN A 86 13.109 12.393 1.085 1.00 0.00 C ATOM 1273 CG ASN A 86 12.428 13.432 1.956 1.00 0.00 C ATOM 1274 OD1 ASN A 86 12.365 13.289 3.177 1.00 0.00 O ATOM 1275 ND2 ASN A 86 11.914 14.484 1.329 1.00 0.00 N ATOM 0 H ASN A 86 11.902 11.012 3.335 1.00 0.00 H new ATOM 0 HA ASN A 86 13.716 10.331 1.125 1.00 0.00 H new ATOM 0 HB2 ASN A 86 14.057 12.791 0.723 1.00 0.00 H new ATOM 0 HB3 ASN A 86 12.491 12.195 0.209 1.00 0.00 H new ATOM 0 HD21 ASN A 86 11.443 15.215 1.862 1.00 0.00 H new ATOM 0 HD22 ASN A 86 11.990 14.560 0.315 1.00 0.00 H new ATOM 1282 N LYS A 87 15.628 11.685 2.454 1.00 0.00 N ATOM 1283 CA LYS A 87 16.741 11.921 3.366 1.00 0.00 C ATOM 1284 C LYS A 87 16.260 12.582 4.653 1.00 0.00 C ATOM 1285 O LYS A 87 16.883 12.440 5.705 1.00 0.00 O ATOM 1286 CB LYS A 87 17.800 12.799 2.694 1.00 0.00 C ATOM 1287 CG LYS A 87 17.256 14.118 2.175 1.00 0.00 C ATOM 1288 CD LYS A 87 18.352 14.968 1.555 1.00 0.00 C ATOM 1289 CE LYS A 87 17.903 16.410 1.372 1.00 0.00 C ATOM 1290 NZ LYS A 87 19.054 17.354 1.378 1.00 0.00 N ATOM 0 H LYS A 87 15.846 11.849 1.471 1.00 0.00 H new ATOM 0 HA LYS A 87 17.183 10.957 3.617 1.00 0.00 H new ATOM 0 HB2 LYS A 87 18.599 13.001 3.408 1.00 0.00 H new ATOM 0 HB3 LYS A 87 18.245 12.248 1.865 1.00 0.00 H new ATOM 0 HG2 LYS A 87 16.480 13.926 1.434 1.00 0.00 H new ATOM 0 HG3 LYS A 87 16.788 14.666 2.992 1.00 0.00 H new ATOM 0 HD2 LYS A 87 19.238 14.939 2.189 1.00 0.00 H new ATOM 0 HD3 LYS A 87 18.637 14.549 0.590 1.00 0.00 H new ATOM 0 HE2 LYS A 87 17.360 16.505 0.431 1.00 0.00 H new ATOM 0 HE3 LYS A 87 17.209 16.678 2.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 18.707 18.326 1.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 19.557 17.282 2.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 19.704 17.114 0.602 1.00 0.00 H new ATOM 1304 N MET A 88 15.148 13.304 4.563 1.00 0.00 N ATOM 1305 CA MET A 88 14.582 13.984 5.722 1.00 0.00 C ATOM 1306 C MET A 88 13.779 13.015 6.583 1.00 0.00 C ATOM 1307 O MET A 88 14.086 12.811 7.757 1.00 0.00 O ATOM 1308 CB MET A 88 13.692 15.145 5.274 1.00 0.00 C ATOM 1309 CG MET A 88 14.373 16.093 4.300 1.00 0.00 C ATOM 1310 SD MET A 88 15.590 17.155 5.101 1.00 0.00 S ATOM 1311 CE MET A 88 17.027 16.085 5.097 1.00 0.00 C ATOM 0 H MET A 88 14.621 13.433 3.699 1.00 0.00 H new ATOM 0 HA MET A 88 15.405 14.376 6.320 1.00 0.00 H new ATOM 0 HB2 MET A 88 12.792 14.743 4.808 1.00 0.00 H new ATOM 0 HB3 MET A 88 13.373 15.707 6.152 1.00 0.00 H new ATOM 0 HG2 MET A 88 14.862 15.514 3.517 1.00 0.00 H new ATOM 0 HG3 MET A 88 13.619 16.713 3.815 1.00 0.00 H new ATOM 0 HE1 MET A 88 17.438 16.025 6.105 1.00 0.00 H new ATOM 0 HE2 MET A 88 16.738 15.089 4.763 1.00 0.00 H new ATOM 0 HE3 MET A 88 17.780 16.490 4.421 1.00 0.00 H new ATOM 1321 N GLY A 89 12.748 12.419 5.991 1.00 0.00 N ATOM 1322 CA GLY A 89 11.917 11.478 6.720 1.00 0.00 C ATOM 1323 C GLY A 89 10.615 11.179 6.003 1.00 0.00 C ATOM 1324 O GLY A 89 10.461 11.492 4.822 1.00 0.00 O ATOM 0 H GLY A 89 12.474 12.571 5.020 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.468 10.550 6.868 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.699 11.881 7.709 1.00 0.00 H new ATOM 1328 N PHE A 90 9.674 10.571 6.718 1.00 0.00 N ATOM 1329 CA PHE A 90 8.379 10.227 6.143 1.00 0.00 C ATOM 1330 C PHE A 90 7.399 11.390 6.274 1.00 0.00 C ATOM 1331 O PHE A 90 7.308 12.023 7.325 1.00 0.00 O ATOM 1332 CB PHE A 90 7.807 8.984 6.826 1.00 0.00 C ATOM 1333 CG PHE A 90 8.261 7.695 6.203 1.00 0.00 C ATOM 1334 CD1 PHE A 90 7.629 7.194 5.076 1.00 0.00 C ATOM 1335 CD2 PHE A 90 9.320 6.983 6.744 1.00 0.00 C ATOM 1336 CE1 PHE A 90 8.044 6.008 4.500 1.00 0.00 C ATOM 1337 CE2 PHE A 90 9.740 5.797 6.172 1.00 0.00 C ATOM 1338 CZ PHE A 90 9.101 5.309 5.049 1.00 0.00 C ATOM 0 H PHE A 90 9.784 10.306 7.697 1.00 0.00 H new ATOM 0 HA PHE A 90 8.525 10.016 5.084 1.00 0.00 H new ATOM 0 HB2 PHE A 90 8.096 8.992 7.877 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.718 9.030 6.794 1.00 0.00 H new ATOM 0 HD1 PHE A 90 6.802 7.737 4.642 1.00 0.00 H new ATOM 0 HD2 PHE A 90 9.823 7.359 7.623 1.00 0.00 H new ATOM 0 HE1 PHE A 90 7.542 5.629 3.622 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.567 5.252 6.603 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.427 4.382 4.601 1.00 0.00 H new ATOM 1348 N GLY A 91 6.668 11.665 5.199 1.00 0.00 N ATOM 1349 CA GLY A 91 5.705 12.750 5.214 1.00 0.00 C ATOM 1350 C GLY A 91 4.302 12.277 5.538 1.00 0.00 C ATOM 1351 O GLY A 91 4.091 11.144 5.972 1.00 0.00 O ATOM 0 H GLY A 91 6.725 11.155 4.317 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.013 13.494 5.949 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.703 13.243 4.242 1.00 0.00 H new ATOM 1355 N PRO A 92 3.313 13.158 5.329 1.00 0.00 N ATOM 1356 CA PRO A 92 1.906 12.847 5.597 1.00 0.00 C ATOM 1357 C PRO A 92 1.340 11.829 4.613 1.00 0.00 C ATOM 1358 O PRO A 92 1.734 11.792 3.447 1.00 0.00 O ATOM 1359 CB PRO A 92 1.206 14.198 5.431 1.00 0.00 C ATOM 1360 CG PRO A 92 2.088 14.971 4.512 1.00 0.00 C ATOM 1361 CD PRO A 92 3.492 14.526 4.814 1.00 0.00 C ATOM 0 HA PRO A 92 1.768 12.398 6.581 1.00 0.00 H new ATOM 0 HB2 PRO A 92 0.207 14.077 5.012 1.00 0.00 H new ATOM 0 HB3 PRO A 92 1.091 14.705 6.389 1.00 0.00 H new ATOM 0 HG2 PRO A 92 1.832 14.776 3.470 1.00 0.00 H new ATOM 0 HG3 PRO A 92 1.975 16.043 4.673 1.00 0.00 H new ATOM 0 HD2 PRO A 92 4.119 14.541 3.922 1.00 0.00 H new ATOM 0 HD3 PRO A 92 3.969 15.173 5.550 1.00 0.00 H new ATOM 1369 N PHE A 93 0.413 11.005 5.089 1.00 0.00 N ATOM 1370 CA PHE A 93 -0.208 9.986 4.251 1.00 0.00 C ATOM 1371 C PHE A 93 -1.171 10.617 3.251 1.00 0.00 C ATOM 1372 O PHE A 93 -1.580 11.768 3.407 1.00 0.00 O ATOM 1373 CB PHE A 93 -0.950 8.965 5.117 1.00 0.00 C ATOM 1374 CG PHE A 93 -0.095 7.806 5.542 1.00 0.00 C ATOM 1375 CD1 PHE A 93 0.254 6.816 4.638 1.00 0.00 C ATOM 1376 CD2 PHE A 93 0.360 7.706 6.847 1.00 0.00 C ATOM 1377 CE1 PHE A 93 1.041 5.748 5.026 1.00 0.00 C ATOM 1378 CE2 PHE A 93 1.147 6.641 7.241 1.00 0.00 C ATOM 1379 CZ PHE A 93 1.487 5.660 6.330 1.00 0.00 C ATOM 0 H PHE A 93 0.075 11.023 6.051 1.00 0.00 H new ATOM 0 HA PHE A 93 0.581 9.477 3.697 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -1.336 9.466 6.005 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.810 8.588 4.564 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -0.093 6.879 3.617 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.096 8.469 7.564 1.00 0.00 H new ATOM 0 HE1 PHE A 93 1.307 4.984 4.311 1.00 0.00 H new ATOM 0 HE2 PHE A 93 1.496 6.576 8.261 1.00 0.00 H new ATOM 0 HZ PHE A 93 2.100 4.826 6.637 1.00 0.00 H new ATOM 1389 N SER A 94 -1.530 9.855 2.222 1.00 0.00 N ATOM 1390 CA SER A 94 -2.442 10.341 1.193 1.00 0.00 C ATOM 1391 C SER A 94 -3.892 10.228 1.655 1.00 0.00 C ATOM 1392 O SER A 94 -4.163 9.870 2.800 1.00 0.00 O ATOM 1393 CB SER A 94 -2.246 9.554 -0.105 1.00 0.00 C ATOM 1394 OG SER A 94 -2.748 8.234 0.018 1.00 0.00 O ATOM 0 H SER A 94 -1.203 8.899 2.079 1.00 0.00 H new ATOM 0 HA SER A 94 -2.218 11.392 1.010 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.753 10.065 -0.924 1.00 0.00 H new ATOM 0 HB3 SER A 94 -1.186 9.521 -0.358 1.00 0.00 H new ATOM 0 HG SER A 94 -3.717 8.238 -0.126 1.00 0.00 H new ATOM 1400 N GLU A 95 -4.819 10.536 0.753 1.00 0.00 N ATOM 1401 CA GLU A 95 -6.241 10.471 1.069 1.00 0.00 C ATOM 1402 C GLU A 95 -6.690 9.025 1.261 1.00 0.00 C ATOM 1403 O GLU A 95 -6.477 8.176 0.395 1.00 0.00 O ATOM 1404 CB GLU A 95 -7.063 11.128 -0.042 1.00 0.00 C ATOM 1405 CG GLU A 95 -6.832 12.624 -0.166 1.00 0.00 C ATOM 1406 CD GLU A 95 -7.916 13.317 -0.970 1.00 0.00 C ATOM 1407 OE1 GLU A 95 -8.216 12.849 -2.088 1.00 0.00 O ATOM 1408 OE2 GLU A 95 -8.463 14.327 -0.481 1.00 0.00 O ATOM 0 H GLU A 95 -4.611 10.832 -0.201 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.405 11.011 2.001 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.821 10.651 -0.992 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -8.121 10.947 0.145 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.786 13.065 0.830 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.866 12.801 -0.638 1.00 0.00 H new ATOM 1415 N LYS A 96 -7.312 8.751 2.403 1.00 0.00 N ATOM 1416 CA LYS A 96 -7.792 7.409 2.711 1.00 0.00 C ATOM 1417 C LYS A 96 -8.738 6.907 1.625 1.00 0.00 C ATOM 1418 O LYS A 96 -9.905 7.298 1.576 1.00 0.00 O ATOM 1419 CB LYS A 96 -8.502 7.398 4.066 1.00 0.00 C ATOM 1420 CG LYS A 96 -9.294 8.663 4.348 1.00 0.00 C ATOM 1421 CD LYS A 96 -10.454 8.396 5.293 1.00 0.00 C ATOM 1422 CE LYS A 96 -11.617 9.340 5.028 1.00 0.00 C ATOM 1423 NZ LYS A 96 -12.503 9.475 6.217 1.00 0.00 N ATOM 0 H LYS A 96 -7.496 9.441 3.131 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.930 6.743 2.754 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -9.175 6.541 4.107 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.761 7.260 4.854 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.636 9.416 4.782 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -9.673 9.072 3.412 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -10.788 7.365 5.179 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -10.119 8.510 6.324 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -11.232 10.321 4.748 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -12.198 8.972 4.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -13.283 10.126 5.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -12.890 8.543 6.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -11.955 9.850 7.017 1.00 0.00 H new ATOM 1437 N CYS A 97 -8.229 6.040 0.758 1.00 0.00 N ATOM 1438 CA CYS A 97 -9.030 5.484 -0.327 1.00 0.00 C ATOM 1439 C CYS A 97 -9.686 4.174 0.098 1.00 0.00 C ATOM 1440 O CYS A 97 -9.007 3.173 0.324 1.00 0.00 O ATOM 1441 CB CYS A 97 -8.161 5.255 -1.565 1.00 0.00 C ATOM 1442 SG CYS A 97 -9.050 4.545 -2.970 1.00 0.00 S ATOM 0 H CYS A 97 -7.265 5.706 0.785 1.00 0.00 H new ATOM 0 HA CYS A 97 -9.815 6.200 -0.570 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -7.723 6.206 -1.869 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -7.336 4.594 -1.299 1.00 0.00 H new ATOM 0 HG CYS A 97 -8.232 4.391 -3.968 1.00 0.00 H new ATOM 1448 N ASP A 98 -11.010 4.190 0.205 1.00 0.00 N ATOM 1449 CA ASP A 98 -11.759 3.004 0.603 1.00 0.00 C ATOM 1450 C ASP A 98 -11.951 2.060 -0.580 1.00 0.00 C ATOM 1451 O ASP A 98 -12.550 2.429 -1.590 1.00 0.00 O ATOM 1452 CB ASP A 98 -13.119 3.403 1.179 1.00 0.00 C ATOM 1453 CG ASP A 98 -13.070 3.621 2.679 1.00 0.00 C ATOM 1454 OD1 ASP A 98 -12.533 2.746 3.389 1.00 0.00 O ATOM 1455 OD2 ASP A 98 -13.569 4.669 3.141 1.00 0.00 O ATOM 0 H ASP A 98 -11.587 5.011 0.022 1.00 0.00 H new ATOM 0 HA ASP A 98 -11.186 2.484 1.371 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -13.463 4.316 0.693 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.849 2.626 0.951 1.00 0.00 H new ATOM 1460 N ILE A 99 -11.439 0.841 -0.447 1.00 0.00 N ATOM 1461 CA ILE A 99 -11.554 -0.155 -1.505 1.00 0.00 C ATOM 1462 C ILE A 99 -12.290 -1.397 -1.013 1.00 0.00 C ATOM 1463 O ILE A 99 -11.882 -2.029 -0.038 1.00 0.00 O ATOM 1464 CB ILE A 99 -10.171 -0.570 -2.040 1.00 0.00 C ATOM 1465 CG1 ILE A 99 -9.583 0.541 -2.912 1.00 0.00 C ATOM 1466 CG2 ILE A 99 -10.276 -1.868 -2.827 1.00 0.00 C ATOM 1467 CD1 ILE A 99 -8.121 0.337 -3.246 1.00 0.00 C ATOM 0 H ILE A 99 -10.941 0.519 0.383 1.00 0.00 H new ATOM 0 HA ILE A 99 -12.123 0.306 -2.312 1.00 0.00 H new ATOM 0 HB ILE A 99 -9.504 -0.733 -1.193 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -10.154 0.605 -3.839 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.700 1.495 -2.399 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.291 -2.149 -3.199 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -10.657 -2.657 -2.179 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -10.955 -1.730 -3.668 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.771 1.162 -3.866 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -7.539 0.303 -2.325 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -7.999 -0.601 -3.787 1.00 0.00 H new ATOM 1479 N THR A 100 -13.378 -1.742 -1.694 1.00 0.00 N ATOM 1480 CA THR A 100 -14.171 -2.909 -1.328 1.00 0.00 C ATOM 1481 C THR A 100 -13.668 -4.161 -2.036 1.00 0.00 C ATOM 1482 O THR A 100 -13.651 -4.228 -3.266 1.00 0.00 O ATOM 1483 CB THR A 100 -15.660 -2.705 -1.666 1.00 0.00 C ATOM 1484 OG1 THR A 100 -16.109 -1.443 -1.159 1.00 0.00 O ATOM 1485 CG2 THR A 100 -16.507 -3.824 -1.079 1.00 0.00 C ATOM 0 H THR A 100 -13.730 -1.230 -2.502 1.00 0.00 H new ATOM 0 HA THR A 100 -14.064 -3.037 -0.251 1.00 0.00 H new ATOM 0 HB THR A 100 -15.769 -2.720 -2.750 1.00 0.00 H new ATOM 0 HG1 THR A 100 -16.055 -1.446 -0.180 1.00 0.00 H new ATOM 0 HG21 THR A 100 -17.554 -3.658 -1.331 1.00 0.00 H new ATOM 0 HG22 THR A 100 -16.182 -4.780 -1.490 1.00 0.00 H new ATOM 0 HG23 THR A 100 -16.392 -3.837 0.005 1.00 0.00 H new ATOM 1493 N THR A 101 -13.257 -5.154 -1.253 1.00 0.00 N ATOM 1494 CA THR A 101 -12.752 -6.404 -1.805 1.00 0.00 C ATOM 1495 C THR A 101 -13.846 -7.155 -2.557 1.00 0.00 C ATOM 1496 O THR A 101 -14.981 -6.687 -2.650 1.00 0.00 O ATOM 1497 CB THR A 101 -12.185 -7.317 -0.702 1.00 0.00 C ATOM 1498 OG1 THR A 101 -13.192 -7.583 0.281 1.00 0.00 O ATOM 1499 CG2 THR A 101 -10.977 -6.675 -0.037 1.00 0.00 C ATOM 0 H THR A 101 -13.264 -5.116 -0.234 1.00 0.00 H new ATOM 0 HA THR A 101 -11.952 -6.143 -2.497 1.00 0.00 H new ATOM 0 HB THR A 101 -11.872 -8.254 -1.162 1.00 0.00 H new ATOM 0 HG1 THR A 101 -12.765 -7.787 1.139 1.00 0.00 H new ATOM 0 HG21 THR A 101 -10.594 -7.338 0.739 1.00 0.00 H new ATOM 0 HG22 THR A 101 -10.201 -6.501 -0.782 1.00 0.00 H new ATOM 0 HG23 THR A 101 -11.270 -5.725 0.410 1.00 0.00 H new ATOM 1507 N ALA A 102 -13.498 -8.320 -3.091 1.00 0.00 N ATOM 1508 CA ALA A 102 -14.451 -9.136 -3.832 1.00 0.00 C ATOM 1509 C ALA A 102 -15.309 -9.972 -2.888 1.00 0.00 C ATOM 1510 O ALA A 102 -14.888 -10.344 -1.793 1.00 0.00 O ATOM 1511 CB ALA A 102 -13.721 -10.035 -4.820 1.00 0.00 C ATOM 0 H ALA A 102 -12.562 -8.720 -3.024 1.00 0.00 H new ATOM 0 HA ALA A 102 -15.111 -8.467 -4.385 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -14.445 -10.639 -5.366 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -13.157 -9.421 -5.522 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.037 -10.690 -4.280 1.00 0.00 H new ATOM 1517 N PRO A 103 -16.543 -10.274 -3.320 1.00 0.00 N ATOM 1518 CA PRO A 103 -17.486 -11.068 -2.528 1.00 0.00 C ATOM 1519 C PRO A 103 -17.062 -12.528 -2.415 1.00 0.00 C ATOM 1520 O PRO A 103 -17.771 -13.347 -1.831 1.00 0.00 O ATOM 1521 CB PRO A 103 -18.795 -10.951 -3.312 1.00 0.00 C ATOM 1522 CG PRO A 103 -18.373 -10.675 -4.714 1.00 0.00 C ATOM 1523 CD PRO A 103 -17.112 -9.863 -4.615 1.00 0.00 C ATOM 0 HA PRO A 103 -17.556 -10.712 -1.500 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -19.379 -11.869 -3.248 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -19.420 -10.148 -2.921 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -18.198 -11.603 -5.259 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -19.147 -10.130 -5.254 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -16.431 -10.076 -5.439 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -17.320 -8.793 -4.641 1.00 0.00 H new ATOM 1531 N GLY A 104 -15.900 -12.848 -2.977 1.00 0.00 N ATOM 1532 CA GLY A 104 -15.402 -14.210 -2.928 1.00 0.00 C ATOM 1533 C GLY A 104 -15.948 -15.068 -4.052 1.00 0.00 C ATOM 1534 O GLY A 104 -17.159 -15.249 -4.172 1.00 0.00 O ATOM 0 H GLY A 104 -15.295 -12.188 -3.465 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -14.313 -14.198 -2.981 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -15.670 -14.657 -1.971 1.00 0.00 H new