USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 799 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 87 TYR OH : rot 172:sc= -1.25! USER MOD Set 1.2: A 89 GLN : amide:sc= -2.2! C(o=-3.4!,f=-11!) USER MOD Set 2.1: A 66 THR OG1 : rot 180:sc= -2.24 USER MOD Set 2.2: A 75 SER OG : rot 101:sc= 0.223 USER MOD Set 3.1: A 58 SER OG : rot -67:sc= 0.198 USER MOD Set 3.2: A 63 LYS NZ :NH3+ 140:sc= 0.643 (180deg=-2.56!) USER MOD Set 4.1: A 61 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 62 SER OG : rot 180:sc= -0.152 USER MOD Set 5.1: A 23 GLN : amide:sc= -2.1 K(o=-5.6,f=-1.3) USER MOD Set 5.2: A 32 GLN : amide:sc= -3.48 K(o=-5.6,f=-1.3) USER MOD Single : A 12 THR OG1 : rot -28:sc= 0.301 USER MOD Single : A 15 SER OG : rot -67:sc= 1.23 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.296 K(o=-0.3,f=-1.2) USER MOD Single : A 36 SER OG : rot 150:sc= -3.31! USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot 84:sc= 0.0401 USER MOD Single : A 50 TYR OH : rot 123:sc= -0.89! USER MOD Single : A 53 ASN : amide:sc= -5.85! C(o=-5.8!,f=-8.9!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0259 USER MOD Single : A 57 SER OG : rot -107:sc= 1.2 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -6.54! C(o=-6.5!,f=-3.7!) USER MOD Single : A 69 MET CE :methyl -177:sc= -23.1! (180deg=-23.1!) USER MOD Single : A 72 THR OG1 : rot -169:sc= -0.777 USER MOD Single : A 76 TYR OH : rot 33:sc= 1.05 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0618 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 42:sc= 0.0389 USER MOD Single : A 91 LYS NZ :NH3+ 175:sc= 0.00232 (180deg=0.00106) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.608 K(o=-0.61,f=0) USER MOD Single : A 98 HIS : no HD1:sc= -6.66! C(o=-6.7!,f=-6.6!) USER MOD Single : A 99 SER OG : rot 150:sc= -1.58 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl 138:sc= -1.72 (180deg=-4.17!) USER MOD Single : A 113 ASN : amide:sc= -3.67 K(o=-3.7,f=-6.9!) USER MOD Single : A 115 HIS : no HD1:sc= -0.247 K(o=-0.25,f=-0.98) USER MOD Single : A 116 SER OG : rot 180:sc= -0.102 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 71 N THR A 12 6.381 -1.044 -6.918 1.00 0.00 N ATOM 72 CA THR A 12 6.659 0.350 -7.228 1.00 0.00 C ATOM 73 C THR A 12 5.457 0.991 -7.926 1.00 0.00 C ATOM 74 O THR A 12 4.888 0.415 -8.854 1.00 0.00 O ATOM 75 CB THR A 12 7.912 0.464 -8.094 1.00 0.00 C ATOM 76 OG1 THR A 12 7.907 -0.516 -9.117 1.00 0.00 O ATOM 77 CG2 THR A 12 9.191 0.299 -7.303 1.00 0.00 C ATOM 0 HA THR A 12 6.839 0.885 -6.296 1.00 0.00 H new ATOM 0 HB THR A 12 7.887 1.469 -8.516 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.393 -1.296 -8.820 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.047 0.390 -7.972 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.247 1.071 -6.536 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.202 -0.683 -6.831 1.00 0.00 H new ATOM 85 N ALA A 13 5.058 2.169 -7.455 1.00 0.00 N ATOM 86 CA ALA A 13 3.903 2.871 -8.014 1.00 0.00 C ATOM 87 C ALA A 13 4.044 3.137 -9.508 1.00 0.00 C ATOM 88 O ALA A 13 3.045 3.335 -10.200 1.00 0.00 O ATOM 89 CB ALA A 13 3.657 4.169 -7.257 1.00 0.00 C ATOM 0 H ALA A 13 5.517 2.659 -6.687 1.00 0.00 H new ATOM 0 HA ALA A 13 3.040 2.216 -7.893 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.795 4.681 -7.684 1.00 0.00 H new ATOM 0 HB2 ALA A 13 3.465 3.947 -6.207 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.535 4.809 -7.337 1.00 0.00 H new ATOM 95 N ALA A 14 5.270 3.132 -10.014 1.00 0.00 N ATOM 96 CA ALA A 14 5.485 3.367 -11.433 1.00 0.00 C ATOM 97 C ALA A 14 5.054 2.157 -12.254 1.00 0.00 C ATOM 98 O ALA A 14 4.727 2.281 -13.434 1.00 0.00 O ATOM 99 CB ALA A 14 6.931 3.734 -11.709 1.00 0.00 C ATOM 0 H ALA A 14 6.119 2.970 -9.472 1.00 0.00 H new ATOM 0 HA ALA A 14 4.866 4.212 -11.735 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.066 3.905 -12.777 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.187 4.641 -11.162 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.581 2.920 -11.387 1.00 0.00 H new ATOM 105 N SER A 15 5.026 0.993 -11.614 1.00 0.00 N ATOM 106 CA SER A 15 4.599 -0.230 -12.280 1.00 0.00 C ATOM 107 C SER A 15 3.074 -0.337 -12.250 1.00 0.00 C ATOM 108 O SER A 15 2.493 -1.275 -12.798 1.00 0.00 O ATOM 109 CB SER A 15 5.223 -1.453 -11.605 1.00 0.00 C ATOM 110 OG SER A 15 4.526 -1.792 -10.418 1.00 0.00 O ATOM 0 H SER A 15 5.293 0.872 -10.637 1.00 0.00 H new ATOM 0 HA SER A 15 4.934 -0.196 -13.317 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.209 -2.299 -12.293 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.268 -1.250 -11.371 1.00 0.00 H new ATOM 0 HG SER A 15 4.648 -1.083 -9.753 1.00 0.00 H new ATOM 116 N ALA A 16 2.434 0.638 -11.601 1.00 0.00 N ATOM 117 CA ALA A 16 0.982 0.671 -11.488 1.00 0.00 C ATOM 118 C ALA A 16 0.370 1.551 -12.575 1.00 0.00 C ATOM 119 O ALA A 16 1.025 1.874 -13.567 1.00 0.00 O ATOM 120 CB ALA A 16 0.588 1.175 -10.108 1.00 0.00 C ATOM 0 H ALA A 16 2.906 1.418 -11.144 1.00 0.00 H new ATOM 0 HA ALA A 16 0.597 -0.340 -11.622 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.499 1.199 -10.026 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.995 0.509 -9.347 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.985 2.179 -9.960 1.00 0.00 H new ATOM 126 N SER A 17 -0.887 1.940 -12.383 1.00 0.00 N ATOM 127 CA SER A 17 -1.583 2.786 -13.345 1.00 0.00 C ATOM 128 C SER A 17 -1.882 4.156 -12.746 1.00 0.00 C ATOM 129 O SER A 17 -2.797 4.306 -11.937 1.00 0.00 O ATOM 130 CB SER A 17 -2.883 2.115 -13.794 1.00 0.00 C ATOM 131 OG SER A 17 -2.683 1.353 -14.972 1.00 0.00 O ATOM 0 H SER A 17 -1.444 1.682 -11.569 1.00 0.00 H new ATOM 0 HA SER A 17 -0.935 2.923 -14.211 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.256 1.470 -12.999 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.645 2.874 -13.973 1.00 0.00 H new ATOM 0 HG SER A 17 -3.528 0.933 -15.237 1.00 0.00 H new ATOM 137 N ILE A 18 -1.103 5.153 -13.152 1.00 0.00 N ATOM 138 CA ILE A 18 -1.277 6.515 -12.662 1.00 0.00 C ATOM 139 C ILE A 18 -2.384 7.229 -13.442 1.00 0.00 C ATOM 140 O ILE A 18 -2.174 7.663 -14.574 1.00 0.00 O ATOM 141 CB ILE A 18 0.055 7.308 -12.762 1.00 0.00 C ATOM 142 CG1 ILE A 18 0.853 7.194 -11.472 1.00 0.00 C ATOM 143 CG2 ILE A 18 -0.179 8.765 -13.063 1.00 0.00 C ATOM 144 CD1 ILE A 18 1.226 5.792 -11.147 1.00 0.00 C ATOM 0 H ILE A 18 -0.342 5.042 -13.822 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.569 6.466 -11.613 1.00 0.00 H new ATOM 0 HB ILE A 18 0.618 6.867 -13.584 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.758 7.796 -11.556 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.269 7.609 -10.651 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.779 9.282 -13.124 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.704 8.860 -14.013 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.781 9.208 -12.270 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.794 5.773 -10.217 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.323 5.192 -11.034 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.835 5.382 -11.952 1.00 0.00 H new ATOM 156 N THR A 19 -3.563 7.340 -12.832 1.00 0.00 N ATOM 157 CA THR A 19 -4.697 7.995 -13.476 1.00 0.00 C ATOM 158 C THR A 19 -4.814 9.451 -13.036 1.00 0.00 C ATOM 159 O THR A 19 -4.884 9.743 -11.844 1.00 0.00 O ATOM 160 CB THR A 19 -5.991 7.246 -13.152 1.00 0.00 C ATOM 161 OG1 THR A 19 -5.857 5.865 -13.438 1.00 0.00 O ATOM 162 CG2 THR A 19 -7.189 7.760 -13.919 1.00 0.00 C ATOM 0 H THR A 19 -3.756 6.985 -11.895 1.00 0.00 H new ATOM 0 HA THR A 19 -4.531 7.977 -14.553 1.00 0.00 H new ATOM 0 HB THR A 19 -6.162 7.414 -12.089 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.694 5.404 -13.222 1.00 0.00 H new ATOM 0 HG21 THR A 19 -8.073 7.185 -13.642 1.00 0.00 H new ATOM 0 HG22 THR A 19 -7.350 8.811 -13.680 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.009 7.655 -14.989 1.00 0.00 H new ATOM 170 N ALA A 20 -4.840 10.363 -14.008 1.00 0.00 N ATOM 171 CA ALA A 20 -4.952 11.792 -13.719 1.00 0.00 C ATOM 172 C ALA A 20 -6.033 12.061 -12.671 1.00 0.00 C ATOM 173 O ALA A 20 -7.039 11.353 -12.618 1.00 0.00 O ATOM 174 CB ALA A 20 -5.250 12.562 -14.997 1.00 0.00 C ATOM 0 H ALA A 20 -4.785 10.138 -15.001 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.000 12.132 -13.313 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.331 13.625 -14.771 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.444 12.404 -15.713 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.189 12.209 -15.424 1.00 0.00 H new ATOM 180 N PRO A 21 -5.843 13.082 -11.811 1.00 0.00 N ATOM 181 CA PRO A 21 -4.661 13.963 -11.824 1.00 0.00 C ATOM 182 C PRO A 21 -3.397 13.295 -11.293 1.00 0.00 C ATOM 183 O PRO A 21 -2.375 13.956 -11.111 1.00 0.00 O ATOM 184 CB PRO A 21 -5.072 15.090 -10.880 1.00 0.00 C ATOM 185 CG PRO A 21 -5.976 14.418 -9.913 1.00 0.00 C ATOM 186 CD PRO A 21 -6.786 13.469 -10.746 1.00 0.00 C ATOM 0 HA PRO A 21 -4.409 14.272 -12.838 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.209 15.532 -10.382 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.580 15.895 -11.412 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.412 13.889 -9.145 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.614 15.138 -9.400 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.119 12.607 -10.168 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.679 13.946 -11.150 1.00 0.00 H new ATOM 194 N ALA A 22 -3.459 11.991 -11.040 1.00 0.00 N ATOM 195 CA ALA A 22 -2.302 11.274 -10.528 1.00 0.00 C ATOM 196 C ALA A 22 -1.136 11.393 -11.498 1.00 0.00 C ATOM 197 O ALA A 22 -1.325 11.409 -12.714 1.00 0.00 O ATOM 198 CB ALA A 22 -2.646 9.815 -10.280 1.00 0.00 C ATOM 0 H ALA A 22 -4.290 11.417 -11.180 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.008 11.721 -9.578 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.768 9.294 -9.897 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.453 9.750 -9.550 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.964 9.352 -11.214 1.00 0.00 H new ATOM 204 N GLN A 23 0.067 11.495 -10.952 1.00 0.00 N ATOM 205 CA GLN A 23 1.261 11.633 -11.774 1.00 0.00 C ATOM 206 C GLN A 23 2.465 10.978 -11.113 1.00 0.00 C ATOM 207 O GLN A 23 2.869 11.357 -10.014 1.00 0.00 O ATOM 208 CB GLN A 23 1.551 13.112 -12.036 1.00 0.00 C ATOM 209 CG GLN A 23 1.835 13.909 -10.773 1.00 0.00 C ATOM 210 CD GLN A 23 0.995 15.166 -10.673 1.00 0.00 C ATOM 211 OE1 GLN A 23 1.433 16.253 -11.050 1.00 0.00 O ATOM 212 NE2 GLN A 23 -0.223 15.024 -10.162 1.00 0.00 N ATOM 0 H GLN A 23 0.242 11.485 -9.947 1.00 0.00 H new ATOM 0 HA GLN A 23 1.077 11.127 -12.722 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.406 13.193 -12.707 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.699 13.555 -12.551 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.647 13.281 -9.902 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.891 14.180 -10.749 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -0.546 14.104 -9.862 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.835 15.835 -10.070 1.00 0.00 H new ATOM 221 N LEU A 24 3.033 9.989 -11.791 1.00 0.00 N ATOM 222 CA LEU A 24 4.189 9.273 -11.278 1.00 0.00 C ATOM 223 C LEU A 24 5.473 10.069 -11.488 1.00 0.00 C ATOM 224 O LEU A 24 5.907 10.287 -12.619 1.00 0.00 O ATOM 225 CB LEU A 24 4.301 7.922 -11.983 1.00 0.00 C ATOM 226 CG LEU A 24 4.470 6.708 -11.074 1.00 0.00 C ATOM 227 CD1 LEU A 24 5.929 6.522 -10.700 1.00 0.00 C ATOM 228 CD2 LEU A 24 3.614 6.829 -9.823 1.00 0.00 C ATOM 0 H LEU A 24 2.708 9.665 -12.702 1.00 0.00 H new ATOM 0 HA LEU A 24 4.054 9.126 -10.206 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.408 7.776 -12.590 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.149 7.960 -12.667 1.00 0.00 H new ATOM 0 HG LEU A 24 4.134 5.830 -11.626 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.030 5.652 -10.052 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.520 6.372 -11.604 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.286 7.408 -10.176 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.758 5.948 -9.197 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.906 7.720 -9.267 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.564 6.905 -10.106 1.00 0.00 H new ATOM 240 N VAL A 25 6.081 10.492 -10.385 1.00 0.00 N ATOM 241 CA VAL A 25 7.321 11.254 -10.435 1.00 0.00 C ATOM 242 C VAL A 25 8.408 10.568 -9.617 1.00 0.00 C ATOM 243 O VAL A 25 8.309 10.474 -8.393 1.00 0.00 O ATOM 244 CB VAL A 25 7.125 12.687 -9.907 1.00 0.00 C ATOM 245 CG1 VAL A 25 6.385 13.538 -10.928 1.00 0.00 C ATOM 246 CG2 VAL A 25 6.383 12.672 -8.579 1.00 0.00 C ATOM 0 H VAL A 25 5.733 10.319 -9.442 1.00 0.00 H new ATOM 0 HA VAL A 25 7.625 11.303 -11.481 1.00 0.00 H new ATOM 0 HB VAL A 25 8.108 13.129 -9.743 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.256 14.547 -10.536 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.960 13.579 -11.853 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.407 13.099 -11.128 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.254 13.694 -8.222 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.405 12.209 -8.714 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.957 12.102 -7.848 1.00 0.00 H new ATOM 256 N GLY A 26 9.440 10.083 -10.297 1.00 0.00 N ATOM 257 CA GLY A 26 10.526 9.407 -9.612 1.00 0.00 C ATOM 258 C GLY A 26 10.047 8.208 -8.818 1.00 0.00 C ATOM 259 O GLY A 26 10.524 7.956 -7.712 1.00 0.00 O ATOM 0 H GLY A 26 9.544 10.146 -11.310 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.268 9.084 -10.342 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.023 10.109 -8.942 1.00 0.00 H new ATOM 263 N ASN A 27 9.097 7.468 -9.385 1.00 0.00 N ATOM 264 CA ASN A 27 8.544 6.288 -8.729 1.00 0.00 C ATOM 265 C ASN A 27 7.692 6.680 -7.526 1.00 0.00 C ATOM 266 O ASN A 27 7.682 5.987 -6.508 1.00 0.00 O ATOM 267 CB ASN A 27 9.666 5.342 -8.291 1.00 0.00 C ATOM 268 CG ASN A 27 10.683 5.102 -9.390 1.00 0.00 C ATOM 269 OD1 ASN A 27 11.678 5.819 -9.499 1.00 0.00 O ATOM 270 ND2 ASN A 27 10.438 4.089 -10.213 1.00 0.00 N ATOM 0 H ASN A 27 8.694 7.667 -10.301 1.00 0.00 H new ATOM 0 HA ASN A 27 7.908 5.772 -9.448 1.00 0.00 H new ATOM 0 HB2 ASN A 27 10.169 5.759 -7.419 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.235 4.389 -7.984 1.00 0.00 H new ATOM 0 HD21 ASN A 27 11.087 3.880 -10.972 1.00 0.00 H new ATOM 0 HD22 ASN A 27 9.601 3.520 -10.086 1.00 0.00 H new ATOM 277 N VAL A 28 6.979 7.797 -7.647 1.00 0.00 N ATOM 278 CA VAL A 28 6.127 8.279 -6.566 1.00 0.00 C ATOM 279 C VAL A 28 4.729 8.630 -7.072 1.00 0.00 C ATOM 280 O VAL A 28 4.532 9.665 -7.708 1.00 0.00 O ATOM 281 CB VAL A 28 6.738 9.518 -5.885 1.00 0.00 C ATOM 282 CG1 VAL A 28 5.942 9.895 -4.645 1.00 0.00 C ATOM 283 CG2 VAL A 28 8.198 9.271 -5.535 1.00 0.00 C ATOM 0 H VAL A 28 6.975 8.384 -8.481 1.00 0.00 H new ATOM 0 HA VAL A 28 6.051 7.469 -5.841 1.00 0.00 H new ATOM 0 HB VAL A 28 6.692 10.352 -6.585 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.390 10.772 -4.178 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.913 10.119 -4.927 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.952 9.064 -3.940 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.612 10.158 -5.055 1.00 0.00 H new ATOM 0 HG22 VAL A 28 8.271 8.423 -4.855 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.759 9.056 -6.445 1.00 0.00 H new ATOM 293 N GLY A 29 3.762 7.763 -6.779 1.00 0.00 N ATOM 294 CA GLY A 29 2.393 8.005 -7.204 1.00 0.00 C ATOM 295 C GLY A 29 1.755 9.145 -6.444 1.00 0.00 C ATOM 296 O GLY A 29 1.054 8.930 -5.457 1.00 0.00 O ATOM 0 H GLY A 29 3.902 6.899 -6.256 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.379 8.228 -8.271 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.804 7.099 -7.060 1.00 0.00 H new ATOM 300 N GLU A 30 2.004 10.363 -6.897 1.00 0.00 N ATOM 301 CA GLU A 30 1.459 11.543 -6.242 1.00 0.00 C ATOM 302 C GLU A 30 0.082 11.901 -6.786 1.00 0.00 C ATOM 303 O GLU A 30 -0.034 12.526 -7.841 1.00 0.00 O ATOM 304 CB GLU A 30 2.411 12.728 -6.412 1.00 0.00 C ATOM 305 CG GLU A 30 3.784 12.495 -5.803 1.00 0.00 C ATOM 306 CD GLU A 30 4.623 13.757 -5.755 1.00 0.00 C ATOM 307 OE1 GLU A 30 4.298 14.716 -6.486 1.00 0.00 O ATOM 308 OE2 GLU A 30 5.606 13.787 -4.984 1.00 0.00 O ATOM 0 H GLU A 30 2.580 10.561 -7.715 1.00 0.00 H new ATOM 0 HA GLU A 30 1.352 11.313 -5.182 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.525 12.943 -7.475 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.965 13.611 -5.955 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.667 12.102 -4.793 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.310 11.735 -6.382 1.00 0.00 H new ATOM 315 N LEU A 31 -0.961 11.517 -6.054 1.00 0.00 N ATOM 316 CA LEU A 31 -2.321 11.824 -6.472 1.00 0.00 C ATOM 317 C LEU A 31 -2.667 13.265 -6.111 1.00 0.00 C ATOM 318 O LEU A 31 -2.146 13.808 -5.134 1.00 0.00 O ATOM 319 CB LEU A 31 -3.333 10.887 -5.819 1.00 0.00 C ATOM 320 CG LEU A 31 -3.112 9.400 -6.095 1.00 0.00 C ATOM 321 CD1 LEU A 31 -3.777 8.541 -5.023 1.00 0.00 C ATOM 322 CD2 LEU A 31 -3.638 9.052 -7.479 1.00 0.00 C ATOM 0 H LEU A 31 -0.890 10.999 -5.178 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.371 11.688 -7.552 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.311 11.048 -4.741 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.331 11.160 -6.162 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.043 9.191 -6.064 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.605 7.487 -5.243 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.353 8.783 -4.048 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.849 8.739 -5.011 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.479 7.991 -7.673 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.704 9.274 -7.530 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.109 9.641 -8.228 1.00 0.00 H new ATOM 334 N GLN A 32 -3.547 13.879 -6.893 1.00 0.00 N ATOM 335 CA GLN A 32 -3.954 15.259 -6.647 1.00 0.00 C ATOM 336 C GLN A 32 -5.469 15.368 -6.531 1.00 0.00 C ATOM 337 O GLN A 32 -6.200 14.755 -7.303 1.00 0.00 O ATOM 338 CB GLN A 32 -3.449 16.157 -7.777 1.00 0.00 C ATOM 339 CG GLN A 32 -2.261 17.021 -7.387 1.00 0.00 C ATOM 340 CD GLN A 32 -1.130 16.219 -6.774 1.00 0.00 C ATOM 341 OE1 GLN A 32 -0.519 16.636 -5.790 1.00 0.00 O ATOM 342 NE2 GLN A 32 -0.844 15.058 -7.356 1.00 0.00 N ATOM 0 H GLN A 32 -3.992 13.445 -7.702 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.516 15.584 -5.703 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -3.170 15.534 -8.627 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.263 16.802 -8.108 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.893 17.545 -8.269 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.587 17.782 -6.678 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -1.376 14.751 -8.170 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -0.092 14.475 -6.988 1.00 0.00 H new ATOM 351 N GLY A 33 -5.939 16.150 -5.561 1.00 0.00 N ATOM 352 CA GLY A 33 -7.374 16.311 -5.369 1.00 0.00 C ATOM 353 C GLY A 33 -8.115 14.999 -5.541 1.00 0.00 C ATOM 354 O GLY A 33 -7.531 13.930 -5.374 1.00 0.00 O ATOM 0 H GLY A 33 -5.356 16.673 -4.907 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.565 16.709 -4.372 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -7.757 17.041 -6.082 1.00 0.00 H new ATOM 358 N ALA A 34 -9.389 15.071 -5.900 1.00 0.00 N ATOM 359 CA ALA A 34 -10.169 13.863 -6.119 1.00 0.00 C ATOM 360 C ALA A 34 -10.068 13.428 -7.580 1.00 0.00 C ATOM 361 O ALA A 34 -9.502 14.143 -8.408 1.00 0.00 O ATOM 362 CB ALA A 34 -11.622 14.077 -5.733 1.00 0.00 C ATOM 0 H ALA A 34 -9.899 15.942 -6.044 1.00 0.00 H new ATOM 0 HA ALA A 34 -9.762 13.075 -5.486 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.184 13.159 -5.906 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -11.683 14.346 -4.678 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.044 14.880 -6.337 1.00 0.00 H new ATOM 368 N GLY A 35 -10.626 12.266 -7.898 1.00 0.00 N ATOM 369 CA GLY A 35 -10.594 11.775 -9.267 1.00 0.00 C ATOM 370 C GLY A 35 -9.358 10.947 -9.584 1.00 0.00 C ATOM 371 O GLY A 35 -9.400 10.074 -10.449 1.00 0.00 O ATOM 0 H GLY A 35 -11.100 11.654 -7.234 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.483 11.171 -9.449 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.639 12.623 -9.950 1.00 0.00 H new ATOM 375 N SER A 36 -8.257 11.221 -8.891 1.00 0.00 N ATOM 376 CA SER A 36 -7.014 10.497 -9.114 1.00 0.00 C ATOM 377 C SER A 36 -7.146 9.046 -8.676 1.00 0.00 C ATOM 378 O SER A 36 -8.073 8.694 -7.947 1.00 0.00 O ATOM 379 CB SER A 36 -5.875 11.171 -8.351 1.00 0.00 C ATOM 380 OG SER A 36 -6.267 12.435 -7.854 1.00 0.00 O ATOM 0 H SER A 36 -8.202 11.940 -8.170 1.00 0.00 H new ATOM 0 HA SER A 36 -6.793 10.514 -10.181 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.561 10.534 -7.524 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.013 11.288 -9.008 1.00 0.00 H new ATOM 0 HG SER A 36 -5.776 12.628 -7.028 1.00 0.00 H new ATOM 386 N ALA A 37 -6.220 8.202 -9.121 1.00 0.00 N ATOM 387 CA ALA A 37 -6.264 6.799 -8.755 1.00 0.00 C ATOM 388 C ALA A 37 -4.995 6.047 -9.137 1.00 0.00 C ATOM 389 O ALA A 37 -4.809 5.669 -10.293 1.00 0.00 O ATOM 390 CB ALA A 37 -7.471 6.134 -9.392 1.00 0.00 C ATOM 0 H ALA A 37 -5.442 8.464 -9.727 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.344 6.757 -7.669 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.496 5.081 -9.112 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -8.381 6.624 -9.046 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.403 6.219 -10.477 1.00 0.00 H new ATOM 396 N VAL A 38 -4.155 5.776 -8.141 1.00 0.00 N ATOM 397 CA VAL A 38 -2.941 5.002 -8.370 1.00 0.00 C ATOM 398 C VAL A 38 -3.307 3.530 -8.245 1.00 0.00 C ATOM 399 O VAL A 38 -3.253 2.959 -7.157 1.00 0.00 O ATOM 400 CB VAL A 38 -1.796 5.325 -7.363 1.00 0.00 C ATOM 401 CG1 VAL A 38 -0.497 5.587 -8.096 1.00 0.00 C ATOM 402 CG2 VAL A 38 -2.118 6.517 -6.478 1.00 0.00 C ATOM 0 H VAL A 38 -4.292 6.078 -7.176 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.562 5.258 -9.360 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.692 4.448 -6.723 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.289 5.810 -7.375 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.220 4.704 -8.673 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.624 6.435 -8.769 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.288 6.698 -5.796 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.277 7.399 -7.099 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.021 6.310 -5.904 1.00 0.00 H new ATOM 412 N ILE A 39 -3.720 2.930 -9.354 1.00 0.00 N ATOM 413 CA ILE A 39 -4.144 1.537 -9.344 1.00 0.00 C ATOM 414 C ILE A 39 -2.997 0.580 -9.633 1.00 0.00 C ATOM 415 O ILE A 39 -2.466 0.540 -10.741 1.00 0.00 O ATOM 416 CB ILE A 39 -5.272 1.285 -10.361 1.00 0.00 C ATOM 417 CG1 ILE A 39 -6.366 2.344 -10.215 1.00 0.00 C ATOM 418 CG2 ILE A 39 -5.851 -0.110 -10.175 1.00 0.00 C ATOM 419 CD1 ILE A 39 -6.997 2.376 -8.841 1.00 0.00 C ATOM 0 H ILE A 39 -3.770 3.383 -10.266 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.511 1.344 -8.336 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.856 1.354 -11.366 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.943 3.324 -10.434 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -7.142 2.158 -10.958 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -6.647 -0.273 -10.901 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.067 -0.852 -10.324 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.254 -0.205 -9.167 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -7.764 3.150 -8.811 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -7.450 1.408 -8.626 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.233 2.593 -8.095 1.00 0.00 H new ATOM 431 N TRP A 40 -2.638 -0.201 -8.625 1.00 0.00 N ATOM 432 CA TRP A 40 -1.571 -1.181 -8.748 1.00 0.00 C ATOM 433 C TRP A 40 -2.097 -2.472 -9.372 1.00 0.00 C ATOM 434 O TRP A 40 -3.256 -2.838 -9.176 1.00 0.00 O ATOM 435 CB TRP A 40 -0.979 -1.473 -7.370 1.00 0.00 C ATOM 436 CG TRP A 40 0.339 -0.807 -7.126 1.00 0.00 C ATOM 437 CD1 TRP A 40 1.551 -1.192 -7.619 1.00 0.00 C ATOM 438 CD2 TRP A 40 0.583 0.353 -6.319 1.00 0.00 C ATOM 439 NE1 TRP A 40 2.532 -0.346 -7.166 1.00 0.00 N ATOM 440 CE2 TRP A 40 1.963 0.608 -6.363 1.00 0.00 C ATOM 441 CE3 TRP A 40 -0.231 1.199 -5.563 1.00 0.00 C ATOM 442 CZ2 TRP A 40 2.547 1.671 -5.677 1.00 0.00 C ATOM 443 CZ3 TRP A 40 0.349 2.253 -4.884 1.00 0.00 C ATOM 444 CH2 TRP A 40 1.726 2.481 -4.943 1.00 0.00 C ATOM 0 H TRP A 40 -3.076 -0.173 -7.704 1.00 0.00 H new ATOM 0 HA TRP A 40 -0.795 -0.774 -9.397 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -1.686 -1.150 -6.605 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -0.858 -2.550 -7.258 1.00 0.00 H new ATOM 0 HD1 TRP A 40 1.715 -2.038 -8.270 1.00 0.00 H new ATOM 0 HE1 TRP A 40 3.524 -0.416 -7.391 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.297 1.032 -5.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 3.611 1.849 -5.724 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -0.273 2.912 -4.297 1.00 0.00 H new ATOM 0 HH2 TRP A 40 2.150 3.312 -4.399 1.00 0.00 H new ATOM 455 N ASN A 41 -1.238 -3.160 -10.116 1.00 0.00 N ATOM 456 CA ASN A 41 -1.617 -4.412 -10.762 1.00 0.00 C ATOM 457 C ASN A 41 -0.658 -5.532 -10.369 1.00 0.00 C ATOM 458 O ASN A 41 0.515 -5.515 -10.742 1.00 0.00 O ATOM 459 CB ASN A 41 -1.632 -4.243 -12.283 1.00 0.00 C ATOM 460 CG ASN A 41 -2.977 -4.590 -12.890 1.00 0.00 C ATOM 461 OD1 ASN A 41 -3.271 -5.758 -13.149 1.00 0.00 O ATOM 462 ND2 ASN A 41 -3.802 -3.576 -13.122 1.00 0.00 N ATOM 0 H ASN A 41 -0.274 -2.872 -10.287 1.00 0.00 H new ATOM 0 HA ASN A 41 -2.619 -4.680 -10.427 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -1.378 -3.213 -12.534 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -0.863 -4.877 -12.724 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -4.721 -3.749 -13.530 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.517 -2.624 -12.892 1.00 0.00 H new ATOM 469 N VAL A 42 -1.161 -6.500 -9.608 1.00 0.00 N ATOM 470 CA VAL A 42 -0.341 -7.619 -9.163 1.00 0.00 C ATOM 471 C VAL A 42 -1.170 -8.890 -8.994 1.00 0.00 C ATOM 472 O VAL A 42 -2.360 -8.916 -9.307 1.00 0.00 O ATOM 473 CB VAL A 42 0.366 -7.296 -7.831 1.00 0.00 C ATOM 474 CG1 VAL A 42 1.163 -6.006 -7.953 1.00 0.00 C ATOM 475 CG2 VAL A 42 -0.639 -7.199 -6.692 1.00 0.00 C ATOM 0 H VAL A 42 -2.129 -6.531 -9.288 1.00 0.00 H new ATOM 0 HA VAL A 42 0.408 -7.787 -9.937 1.00 0.00 H new ATOM 0 HB VAL A 42 1.055 -8.110 -7.604 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.656 -5.792 -7.005 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.914 -6.115 -8.736 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.491 -5.186 -8.206 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.116 -6.970 -5.764 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.358 -6.408 -6.907 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.164 -8.149 -6.588 1.00 0.00 H new ATOM 485 N ASP A 43 -0.528 -9.940 -8.491 1.00 0.00 N ATOM 486 CA ASP A 43 -1.195 -11.218 -8.270 1.00 0.00 C ATOM 487 C ASP A 43 -0.750 -11.830 -6.947 1.00 0.00 C ATOM 488 O ASP A 43 0.445 -11.955 -6.681 1.00 0.00 O ATOM 489 CB ASP A 43 -0.895 -12.182 -9.420 1.00 0.00 C ATOM 490 CG ASP A 43 -1.316 -11.626 -10.765 1.00 0.00 C ATOM 491 OD1 ASP A 43 -0.806 -10.552 -11.149 1.00 0.00 O ATOM 492 OD2 ASP A 43 -2.156 -12.263 -11.435 1.00 0.00 O ATOM 0 H ASP A 43 0.457 -9.930 -8.228 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.270 -11.042 -8.230 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.173 -12.400 -9.438 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.410 -13.126 -9.243 1.00 0.00 H new ATOM 497 N VAL A 44 -1.718 -12.205 -6.115 1.00 0.00 N ATOM 498 CA VAL A 44 -1.422 -12.797 -4.816 1.00 0.00 C ATOM 499 C VAL A 44 -0.558 -14.052 -4.965 1.00 0.00 C ATOM 500 O VAL A 44 -0.929 -14.992 -5.668 1.00 0.00 O ATOM 501 CB VAL A 44 -2.713 -13.154 -4.055 1.00 0.00 C ATOM 502 CG1 VAL A 44 -2.396 -13.799 -2.714 1.00 0.00 C ATOM 503 CG2 VAL A 44 -3.573 -11.916 -3.861 1.00 0.00 C ATOM 0 H VAL A 44 -2.713 -12.109 -6.318 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.871 -12.051 -4.244 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.270 -13.876 -4.652 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.325 -14.041 -2.198 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.823 -14.712 -2.876 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.813 -13.107 -2.106 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.481 -12.185 -3.322 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.018 -11.173 -3.288 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.838 -11.501 -4.833 1.00 0.00 H new ATOM 513 N PRO A 45 0.615 -14.077 -4.306 1.00 0.00 N ATOM 514 CA PRO A 45 1.540 -15.216 -4.372 1.00 0.00 C ATOM 515 C PRO A 45 0.999 -16.470 -3.688 1.00 0.00 C ATOM 516 O PRO A 45 1.045 -17.561 -4.255 1.00 0.00 O ATOM 517 CB PRO A 45 2.781 -14.708 -3.636 1.00 0.00 C ATOM 518 CG PRO A 45 2.271 -13.652 -2.720 1.00 0.00 C ATOM 519 CD PRO A 45 1.140 -12.992 -3.456 1.00 0.00 C ATOM 0 HA PRO A 45 1.723 -15.519 -5.403 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.269 -15.510 -3.083 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.518 -14.307 -4.332 1.00 0.00 H new ATOM 0 HG2 PRO A 45 1.929 -14.081 -1.779 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.053 -12.933 -2.477 1.00 0.00 H new ATOM 0 HD2 PRO A 45 0.381 -12.613 -2.772 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.485 -12.146 -4.050 1.00 0.00 H new ATOM 527 N VAL A 46 0.503 -16.316 -2.463 1.00 0.00 N ATOM 528 CA VAL A 46 -0.025 -17.455 -1.716 1.00 0.00 C ATOM 529 C VAL A 46 -1.227 -17.068 -0.863 1.00 0.00 C ATOM 530 O VAL A 46 -1.609 -15.901 -0.794 1.00 0.00 O ATOM 531 CB VAL A 46 1.045 -18.099 -0.801 1.00 0.00 C ATOM 532 CG1 VAL A 46 1.439 -19.467 -1.331 1.00 0.00 C ATOM 533 CG2 VAL A 46 2.273 -17.203 -0.657 1.00 0.00 C ATOM 0 H VAL A 46 0.455 -15.424 -1.970 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.335 -18.181 -2.468 1.00 0.00 H new ATOM 0 HB VAL A 46 0.608 -18.219 0.190 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.192 -19.907 -0.677 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.561 -20.113 -1.360 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.847 -19.364 -2.337 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.003 -17.687 -0.008 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.716 -17.033 -1.638 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.978 -16.248 -0.222 1.00 0.00 H new ATOM 543 N THR A 47 -1.808 -18.067 -0.206 1.00 0.00 N ATOM 544 CA THR A 47 -2.961 -17.857 0.659 1.00 0.00 C ATOM 545 C THR A 47 -2.505 -17.513 2.073 1.00 0.00 C ATOM 546 O THR A 47 -2.176 -18.401 2.862 1.00 0.00 O ATOM 547 CB THR A 47 -3.841 -19.112 0.680 1.00 0.00 C ATOM 548 OG1 THR A 47 -3.361 -20.078 -0.238 1.00 0.00 O ATOM 549 CG2 THR A 47 -5.288 -18.839 0.336 1.00 0.00 C ATOM 0 H THR A 47 -1.495 -19.037 -0.258 1.00 0.00 H new ATOM 0 HA THR A 47 -3.545 -17.024 0.267 1.00 0.00 H new ATOM 0 HB THR A 47 -3.790 -19.478 1.706 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.647 -20.601 0.182 1.00 0.00 H new ATOM 0 HG21 THR A 47 -5.852 -19.771 0.370 1.00 0.00 H new ATOM 0 HG22 THR A 47 -5.706 -18.135 1.055 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.350 -18.414 -0.666 1.00 0.00 H new ATOM 557 N GLY A 48 -2.479 -16.222 2.387 1.00 0.00 N ATOM 558 CA GLY A 48 -2.050 -15.794 3.706 1.00 0.00 C ATOM 559 C GLY A 48 -2.579 -14.423 4.075 1.00 0.00 C ATOM 560 O GLY A 48 -3.272 -13.779 3.283 1.00 0.00 O ATOM 0 H GLY A 48 -2.746 -15.467 1.755 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.386 -16.520 4.446 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.961 -15.781 3.743 1.00 0.00 H new ATOM 564 N GLU A 49 -2.252 -13.976 5.282 1.00 0.00 N ATOM 565 CA GLU A 49 -2.698 -12.673 5.756 1.00 0.00 C ATOM 566 C GLU A 49 -1.609 -11.626 5.593 1.00 0.00 C ATOM 567 O GLU A 49 -0.715 -11.514 6.432 1.00 0.00 O ATOM 568 CB GLU A 49 -3.118 -12.745 7.224 1.00 0.00 C ATOM 569 CG GLU A 49 -3.643 -11.423 7.759 1.00 0.00 C ATOM 570 CD GLU A 49 -4.090 -11.514 9.204 1.00 0.00 C ATOM 571 OE1 GLU A 49 -3.550 -12.366 9.940 1.00 0.00 O ATOM 572 OE2 GLU A 49 -4.981 -10.733 9.600 1.00 0.00 O ATOM 0 H GLU A 49 -1.681 -14.496 5.948 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.557 -12.383 5.150 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.888 -13.508 7.338 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.265 -13.060 7.825 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.865 -10.665 7.671 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.480 -11.093 7.144 1.00 0.00 H new ATOM 579 N TYR A 50 -1.694 -10.845 4.524 1.00 0.00 N ATOM 580 CA TYR A 50 -0.721 -9.796 4.283 1.00 0.00 C ATOM 581 C TYR A 50 -1.303 -8.456 4.699 1.00 0.00 C ATOM 582 O TYR A 50 -2.320 -8.017 4.163 1.00 0.00 O ATOM 583 CB TYR A 50 -0.309 -9.748 2.810 1.00 0.00 C ATOM 584 CG TYR A 50 -0.074 -11.104 2.176 1.00 0.00 C ATOM 585 CD1 TYR A 50 0.170 -12.236 2.947 1.00 0.00 C ATOM 586 CD2 TYR A 50 -0.100 -11.246 0.797 1.00 0.00 C ATOM 587 CE1 TYR A 50 0.380 -13.468 2.357 1.00 0.00 C ATOM 588 CE2 TYR A 50 0.109 -12.473 0.201 1.00 0.00 C ATOM 589 CZ TYR A 50 0.348 -13.581 0.984 1.00 0.00 C ATOM 590 OH TYR A 50 0.552 -14.804 0.390 1.00 0.00 O ATOM 0 H TYR A 50 -2.424 -10.920 3.815 1.00 0.00 H new ATOM 0 HA TYR A 50 0.168 -10.012 4.875 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.083 -9.227 2.247 1.00 0.00 H new ATOM 0 HB3 TYR A 50 0.602 -9.157 2.720 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.196 -12.151 4.023 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -0.287 -10.381 0.178 1.00 0.00 H new ATOM 0 HE1 TYR A 50 0.568 -14.338 2.969 1.00 0.00 H new ATOM 0 HE2 TYR A 50 0.085 -12.564 -0.875 1.00 0.00 H new ATOM 0 HH TYR A 50 -0.214 -15.023 -0.180 1.00 0.00 H new ATOM 600 N ARG A 51 -0.665 -7.812 5.662 1.00 0.00 N ATOM 601 CA ARG A 51 -1.140 -6.529 6.145 1.00 0.00 C ATOM 602 C ARG A 51 -0.720 -5.411 5.198 1.00 0.00 C ATOM 603 O ARG A 51 0.431 -5.343 4.765 1.00 0.00 O ATOM 604 CB ARG A 51 -0.630 -6.273 7.565 1.00 0.00 C ATOM 605 CG ARG A 51 0.863 -6.001 7.647 1.00 0.00 C ATOM 606 CD ARG A 51 1.288 -5.660 9.067 1.00 0.00 C ATOM 607 NE ARG A 51 2.166 -4.492 9.113 1.00 0.00 N ATOM 608 CZ ARG A 51 2.712 -4.020 10.231 1.00 0.00 C ATOM 609 NH1 ARG A 51 2.473 -4.612 11.396 1.00 0.00 N ATOM 610 NH2 ARG A 51 3.498 -2.952 10.188 1.00 0.00 N ATOM 0 H ARG A 51 0.178 -8.155 6.122 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.229 -6.548 6.176 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -1.167 -5.423 7.985 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.866 -7.137 8.186 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.413 -6.876 7.301 1.00 0.00 H new ATOM 0 HG3 ARG A 51 1.122 -5.178 6.981 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.403 -5.472 9.674 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.800 -6.516 9.507 1.00 0.00 H new ATOM 0 HE ARG A 51 2.372 -4.011 8.237 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.868 -5.433 11.437 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.894 -4.246 12.250 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.684 -2.492 9.297 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.916 -2.591 11.046 1.00 0.00 H new ATOM 624 N ILE A 52 -1.674 -4.553 4.862 1.00 0.00 N ATOM 625 CA ILE A 52 -1.435 -3.451 3.945 1.00 0.00 C ATOM 626 C ILE A 52 -0.715 -2.299 4.621 1.00 0.00 C ATOM 627 O ILE A 52 -1.110 -1.833 5.689 1.00 0.00 O ATOM 628 CB ILE A 52 -2.759 -2.932 3.339 1.00 0.00 C ATOM 629 CG1 ILE A 52 -3.517 -4.079 2.667 1.00 0.00 C ATOM 630 CG2 ILE A 52 -2.497 -1.811 2.340 1.00 0.00 C ATOM 631 CD1 ILE A 52 -2.633 -4.974 1.824 1.00 0.00 C ATOM 0 H ILE A 52 -2.629 -4.602 5.216 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.800 -3.842 3.150 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.371 -2.530 4.146 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.004 -4.681 3.434 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.305 -3.664 2.039 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.444 -1.463 1.927 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.995 -0.985 2.843 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.865 -2.183 1.534 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.236 -5.765 1.378 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.166 -4.385 1.035 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.860 -5.417 2.452 1.00 0.00 H new ATOM 643 N ASN A 53 0.336 -1.837 3.963 1.00 0.00 N ATOM 644 CA ASN A 53 1.126 -0.722 4.447 1.00 0.00 C ATOM 645 C ASN A 53 1.296 0.286 3.322 1.00 0.00 C ATOM 646 O ASN A 53 2.057 0.055 2.381 1.00 0.00 O ATOM 647 CB ASN A 53 2.489 -1.203 4.950 1.00 0.00 C ATOM 648 CG ASN A 53 2.560 -1.255 6.462 1.00 0.00 C ATOM 649 OD1 ASN A 53 3.428 -0.636 7.078 1.00 0.00 O ATOM 650 ND2 ASN A 53 1.642 -1.996 7.072 1.00 0.00 N ATOM 0 H ASN A 53 0.663 -2.226 3.079 1.00 0.00 H new ATOM 0 HA ASN A 53 0.612 -0.250 5.284 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.694 -2.194 4.545 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.267 -0.538 4.575 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.639 -2.068 8.089 1.00 0.00 H new ATOM 0 HD22 ASN A 53 0.940 -2.493 6.523 1.00 0.00 H new ATOM 657 N LEU A 54 0.571 1.395 3.405 1.00 0.00 N ATOM 658 CA LEU A 54 0.644 2.412 2.369 1.00 0.00 C ATOM 659 C LEU A 54 1.565 3.540 2.787 1.00 0.00 C ATOM 660 O LEU A 54 1.411 4.129 3.858 1.00 0.00 O ATOM 661 CB LEU A 54 -0.753 2.966 2.034 1.00 0.00 C ATOM 662 CG LEU A 54 -1.411 2.430 0.747 1.00 0.00 C ATOM 663 CD1 LEU A 54 -2.207 3.523 0.052 1.00 0.00 C ATOM 664 CD2 LEU A 54 -0.380 1.872 -0.224 1.00 0.00 C ATOM 0 H LEU A 54 -0.067 1.610 4.171 1.00 0.00 H new ATOM 0 HA LEU A 54 1.050 1.942 1.473 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.416 2.751 2.872 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.681 4.051 1.955 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.080 1.623 1.047 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.662 3.122 -0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.988 3.886 0.721 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.543 4.346 -0.210 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.884 1.504 -1.118 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.322 2.658 -0.501 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.161 1.053 0.250 1.00 0.00 H new ATOM 676 N THR A 55 2.524 3.832 1.924 1.00 0.00 N ATOM 677 CA THR A 55 3.488 4.894 2.185 1.00 0.00 C ATOM 678 C THR A 55 3.014 6.201 1.564 1.00 0.00 C ATOM 679 O THR A 55 2.619 6.237 0.399 1.00 0.00 O ATOM 680 CB THR A 55 4.869 4.516 1.644 1.00 0.00 C ATOM 681 OG1 THR A 55 4.784 3.393 0.783 1.00 0.00 O ATOM 682 CG2 THR A 55 5.865 4.180 2.732 1.00 0.00 C ATOM 0 H THR A 55 2.658 3.350 1.035 1.00 0.00 H new ATOM 0 HA THR A 55 3.569 5.028 3.264 1.00 0.00 H new ATOM 0 HB THR A 55 5.219 5.399 1.109 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.677 3.170 0.447 1.00 0.00 H new ATOM 0 HG21 THR A 55 6.823 3.921 2.281 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.993 5.042 3.387 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.497 3.334 3.313 1.00 0.00 H new ATOM 690 N TRP A 56 3.039 7.273 2.349 1.00 0.00 N ATOM 691 CA TRP A 56 2.593 8.571 1.864 1.00 0.00 C ATOM 692 C TRP A 56 3.204 9.715 2.674 1.00 0.00 C ATOM 693 O TRP A 56 3.782 9.500 3.742 1.00 0.00 O ATOM 694 CB TRP A 56 1.067 8.650 1.918 1.00 0.00 C ATOM 695 CG TRP A 56 0.512 8.375 3.282 1.00 0.00 C ATOM 696 CD1 TRP A 56 0.502 7.176 3.937 1.00 0.00 C ATOM 697 CD2 TRP A 56 -0.111 9.317 4.159 1.00 0.00 C ATOM 698 NE1 TRP A 56 -0.088 7.319 5.170 1.00 0.00 N ATOM 699 CE2 TRP A 56 -0.472 8.621 5.329 1.00 0.00 C ATOM 700 CE3 TRP A 56 -0.400 10.681 4.072 1.00 0.00 C ATOM 701 CZ2 TRP A 56 -1.101 9.240 6.399 1.00 0.00 C ATOM 702 CZ3 TRP A 56 -1.026 11.295 5.139 1.00 0.00 C ATOM 703 CH2 TRP A 56 -1.369 10.573 6.288 1.00 0.00 C ATOM 0 H TRP A 56 3.361 7.268 3.317 1.00 0.00 H new ATOM 0 HA TRP A 56 2.928 8.677 0.832 1.00 0.00 H new ATOM 0 HB2 TRP A 56 0.749 9.642 1.596 1.00 0.00 H new ATOM 0 HB3 TRP A 56 0.647 7.935 1.210 1.00 0.00 H new ATOM 0 HD1 TRP A 56 0.899 6.252 3.544 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -0.218 6.575 5.855 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -0.139 11.244 3.188 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -1.369 8.687 7.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -1.255 12.349 5.086 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -1.857 11.083 7.105 1.00 0.00 H new ATOM 714 N SER A 57 3.065 10.931 2.148 1.00 0.00 N ATOM 715 CA SER A 57 3.591 12.129 2.798 1.00 0.00 C ATOM 716 C SER A 57 2.759 13.349 2.412 1.00 0.00 C ATOM 717 O SER A 57 3.098 14.074 1.477 1.00 0.00 O ATOM 718 CB SER A 57 5.051 12.349 2.399 1.00 0.00 C ATOM 719 OG SER A 57 5.891 11.364 2.978 1.00 0.00 O ATOM 0 H SER A 57 2.588 11.112 1.265 1.00 0.00 H new ATOM 0 HA SER A 57 3.535 11.990 3.878 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.143 12.318 1.313 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.373 13.340 2.718 1.00 0.00 H new ATOM 0 HG SER A 57 6.411 11.764 3.706 1.00 0.00 H new ATOM 725 N SER A 58 1.663 13.562 3.132 1.00 0.00 N ATOM 726 CA SER A 58 0.772 14.684 2.859 1.00 0.00 C ATOM 727 C SER A 58 0.690 15.631 4.055 1.00 0.00 C ATOM 728 O SER A 58 -0.265 15.580 4.830 1.00 0.00 O ATOM 729 CB SER A 58 -0.624 14.167 2.510 1.00 0.00 C ATOM 730 OG SER A 58 -1.590 15.200 2.602 1.00 0.00 O ATOM 0 H SER A 58 1.370 12.971 3.910 1.00 0.00 H new ATOM 0 HA SER A 58 1.178 15.240 2.014 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.621 13.757 1.500 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.892 13.353 3.184 1.00 0.00 H new ATOM 0 HG SER A 58 -1.686 15.476 3.537 1.00 0.00 H new ATOM 736 N PRO A 59 1.693 16.510 4.220 1.00 0.00 N ATOM 737 CA PRO A 59 1.724 17.470 5.329 1.00 0.00 C ATOM 738 C PRO A 59 0.571 18.467 5.250 1.00 0.00 C ATOM 739 O PRO A 59 0.689 19.513 4.612 1.00 0.00 O ATOM 740 CB PRO A 59 3.067 18.198 5.151 1.00 0.00 C ATOM 741 CG PRO A 59 3.861 17.345 4.220 1.00 0.00 C ATOM 742 CD PRO A 59 2.865 16.644 3.344 1.00 0.00 C ATOM 0 HA PRO A 59 1.623 16.976 6.295 1.00 0.00 H new ATOM 0 HB2 PRO A 59 2.921 19.197 4.740 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.578 18.318 6.106 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.545 17.950 3.625 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.468 16.627 4.772 1.00 0.00 H new ATOM 0 HD2 PRO A 59 2.636 17.223 2.449 1.00 0.00 H new ATOM 0 HD3 PRO A 59 3.233 15.674 3.010 1.00 0.00 H new ATOM 750 N TYR A 60 -0.547 18.140 5.891 1.00 0.00 N ATOM 751 CA TYR A 60 -1.713 19.018 5.872 1.00 0.00 C ATOM 752 C TYR A 60 -2.410 19.050 7.231 1.00 0.00 C ATOM 753 O TYR A 60 -2.280 20.016 7.983 1.00 0.00 O ATOM 754 CB TYR A 60 -2.697 18.568 4.788 1.00 0.00 C ATOM 755 CG TYR A 60 -2.944 19.615 3.723 1.00 0.00 C ATOM 756 CD1 TYR A 60 -1.917 20.045 2.892 1.00 0.00 C ATOM 757 CD2 TYR A 60 -4.204 20.172 3.552 1.00 0.00 C ATOM 758 CE1 TYR A 60 -2.140 21.001 1.919 1.00 0.00 C ATOM 759 CE2 TYR A 60 -4.436 21.128 2.581 1.00 0.00 C ATOM 760 CZ TYR A 60 -3.401 21.540 1.767 1.00 0.00 C ATOM 761 OH TYR A 60 -3.628 22.491 0.799 1.00 0.00 O ATOM 0 H TYR A 60 -0.671 17.281 6.426 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.367 20.027 5.647 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.315 17.663 4.315 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.646 18.307 5.256 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -0.929 19.626 3.008 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.016 19.853 4.188 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.331 21.325 1.281 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -5.423 21.550 2.460 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.568 22.765 0.824 1.00 0.00 H new ATOM 771 N SER A 61 -3.155 17.991 7.536 1.00 0.00 N ATOM 772 CA SER A 61 -3.882 17.897 8.801 1.00 0.00 C ATOM 773 C SER A 61 -4.782 16.663 8.822 1.00 0.00 C ATOM 774 O SER A 61 -5.003 16.059 9.871 1.00 0.00 O ATOM 775 CB SER A 61 -4.729 19.152 9.022 1.00 0.00 C ATOM 776 OG SER A 61 -5.680 18.949 10.053 1.00 0.00 O ATOM 0 H SER A 61 -3.272 17.184 6.924 1.00 0.00 H new ATOM 0 HA SER A 61 -3.149 17.810 9.603 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.082 19.991 9.279 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.241 19.417 8.097 1.00 0.00 H new ATOM 0 HG SER A 61 -6.208 19.765 10.176 1.00 0.00 H new ATOM 782 N SER A 62 -5.298 16.305 7.647 1.00 0.00 N ATOM 783 CA SER A 62 -6.186 15.153 7.488 1.00 0.00 C ATOM 784 C SER A 62 -6.940 15.248 6.162 1.00 0.00 C ATOM 785 O SER A 62 -7.311 16.338 5.726 1.00 0.00 O ATOM 786 CB SER A 62 -7.183 15.064 8.648 1.00 0.00 C ATOM 787 OG SER A 62 -7.683 16.345 8.990 1.00 0.00 O ATOM 0 H SER A 62 -5.112 16.805 6.778 1.00 0.00 H new ATOM 0 HA SER A 62 -5.574 14.251 7.490 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.010 14.409 8.372 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.698 14.616 9.515 1.00 0.00 H new ATOM 0 HG SER A 62 -8.318 16.261 9.732 1.00 0.00 H new ATOM 793 N LYS A 63 -7.155 14.103 5.519 1.00 0.00 N ATOM 794 CA LYS A 63 -7.856 14.061 4.233 1.00 0.00 C ATOM 795 C LYS A 63 -8.848 12.902 4.198 1.00 0.00 C ATOM 796 O LYS A 63 -8.862 12.067 5.098 1.00 0.00 O ATOM 797 CB LYS A 63 -6.856 13.923 3.076 1.00 0.00 C ATOM 798 CG LYS A 63 -5.434 14.340 3.428 1.00 0.00 C ATOM 799 CD LYS A 63 -4.716 14.955 2.235 1.00 0.00 C ATOM 800 CE LYS A 63 -4.187 16.345 2.561 1.00 0.00 C ATOM 801 NZ LYS A 63 -3.250 16.846 1.518 1.00 0.00 N ATOM 0 H LYS A 63 -6.855 13.191 5.865 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.403 14.997 4.118 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.846 12.886 2.741 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.203 14.526 2.237 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.458 15.058 4.248 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.877 13.472 3.780 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.890 14.311 1.934 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.399 15.014 1.388 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.023 17.037 2.659 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.678 16.322 3.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.426 17.857 1.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.270 16.713 1.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.399 16.318 0.635 1.00 0.00 H new ATOM 815 N VAL A 64 -9.678 12.848 3.156 1.00 0.00 N ATOM 816 CA VAL A 64 -10.658 11.774 3.023 1.00 0.00 C ATOM 817 C VAL A 64 -10.440 11.018 1.719 1.00 0.00 C ATOM 818 O VAL A 64 -11.029 11.352 0.696 1.00 0.00 O ATOM 819 CB VAL A 64 -12.101 12.314 3.059 1.00 0.00 C ATOM 820 CG1 VAL A 64 -13.101 11.167 3.082 1.00 0.00 C ATOM 821 CG2 VAL A 64 -12.299 13.228 4.258 1.00 0.00 C ATOM 0 H VAL A 64 -9.691 13.530 2.398 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.519 11.101 3.869 1.00 0.00 H new ATOM 0 HB VAL A 64 -12.274 12.897 2.154 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -14.114 11.568 3.107 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -12.975 10.556 2.188 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -12.931 10.554 3.967 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -13.324 13.600 4.267 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -12.107 12.672 5.175 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -11.609 14.069 4.192 1.00 0.00 H new ATOM 831 N ASN A 65 -9.579 10.005 1.751 1.00 0.00 N ATOM 832 CA ASN A 65 -9.284 9.231 0.548 1.00 0.00 C ATOM 833 C ASN A 65 -9.729 7.782 0.690 1.00 0.00 C ATOM 834 O ASN A 65 -9.870 7.266 1.798 1.00 0.00 O ATOM 835 CB ASN A 65 -7.785 9.274 0.227 1.00 0.00 C ATOM 836 CG ASN A 65 -7.107 10.541 0.719 1.00 0.00 C ATOM 837 OD1 ASN A 65 -5.981 10.504 1.213 1.00 0.00 O ATOM 838 ND2 ASN A 65 -7.788 11.670 0.580 1.00 0.00 N ATOM 0 H ASN A 65 -9.078 9.703 2.586 1.00 0.00 H new ATOM 0 HA ASN A 65 -9.842 9.686 -0.270 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -7.298 8.410 0.678 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -7.648 9.191 -0.851 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -7.380 12.553 0.888 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -8.720 11.656 0.165 1.00 0.00 H new ATOM 845 N THR A 66 -9.934 7.127 -0.449 1.00 0.00 N ATOM 846 CA THR A 66 -10.348 5.732 -0.466 1.00 0.00 C ATOM 847 C THR A 66 -9.191 4.844 -0.912 1.00 0.00 C ATOM 848 O THR A 66 -8.783 4.874 -2.073 1.00 0.00 O ATOM 849 CB THR A 66 -11.543 5.540 -1.402 1.00 0.00 C ATOM 850 OG1 THR A 66 -12.645 6.322 -0.977 1.00 0.00 O ATOM 851 CG2 THR A 66 -12.011 4.104 -1.494 1.00 0.00 C ATOM 0 H THR A 66 -9.819 7.543 -1.373 1.00 0.00 H new ATOM 0 HA THR A 66 -10.644 5.448 0.544 1.00 0.00 H new ATOM 0 HB THR A 66 -11.190 5.853 -2.384 1.00 0.00 H new ATOM 0 HG1 THR A 66 -13.398 6.186 -1.589 1.00 0.00 H new ATOM 0 HG21 THR A 66 -12.860 4.041 -2.174 1.00 0.00 H new ATOM 0 HG22 THR A 66 -11.199 3.480 -1.868 1.00 0.00 H new ATOM 0 HG23 THR A 66 -12.311 3.755 -0.506 1.00 0.00 H new ATOM 859 N LEU A 67 -8.669 4.056 0.018 1.00 0.00 N ATOM 860 CA LEU A 67 -7.558 3.159 -0.276 1.00 0.00 C ATOM 861 C LEU A 67 -8.057 1.906 -0.995 1.00 0.00 C ATOM 862 O LEU A 67 -8.915 1.184 -0.486 1.00 0.00 O ATOM 863 CB LEU A 67 -6.828 2.794 1.020 1.00 0.00 C ATOM 864 CG LEU A 67 -5.844 1.626 0.926 1.00 0.00 C ATOM 865 CD1 LEU A 67 -4.779 1.902 -0.115 1.00 0.00 C ATOM 866 CD2 LEU A 67 -5.193 1.366 2.277 1.00 0.00 C ATOM 0 H LEU A 67 -8.997 4.019 0.983 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.856 3.667 -0.938 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.286 3.673 1.369 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.573 2.556 1.779 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.402 0.739 0.626 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.091 1.058 -0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.249 2.044 -1.088 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.229 2.803 0.157 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.496 0.532 2.191 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.654 2.257 2.599 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.962 1.122 3.010 1.00 0.00 H new ATOM 878 N VAL A 68 -7.522 1.665 -2.186 1.00 0.00 N ATOM 879 CA VAL A 68 -7.914 0.512 -2.987 1.00 0.00 C ATOM 880 C VAL A 68 -6.942 -0.645 -2.790 1.00 0.00 C ATOM 881 O VAL A 68 -5.851 -0.650 -3.351 1.00 0.00 O ATOM 882 CB VAL A 68 -7.977 0.878 -4.483 1.00 0.00 C ATOM 883 CG1 VAL A 68 -8.509 -0.282 -5.308 1.00 0.00 C ATOM 884 CG2 VAL A 68 -8.833 2.117 -4.691 1.00 0.00 C ATOM 0 H VAL A 68 -6.812 2.256 -2.620 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.905 0.204 -2.653 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.963 1.094 -4.821 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.543 0.004 -6.359 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.854 -1.145 -5.188 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.513 -0.539 -4.970 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.867 2.362 -5.753 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.844 1.926 -4.330 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.403 2.953 -4.140 1.00 0.00 H new ATOM 894 N MET A 69 -7.340 -1.621 -1.982 1.00 0.00 N ATOM 895 CA MET A 69 -6.490 -2.775 -1.709 1.00 0.00 C ATOM 896 C MET A 69 -7.234 -4.084 -1.967 1.00 0.00 C ATOM 897 O MET A 69 -8.349 -4.281 -1.484 1.00 0.00 O ATOM 898 CB MET A 69 -5.998 -2.725 -0.257 1.00 0.00 C ATOM 899 CG MET A 69 -4.518 -2.386 -0.101 1.00 0.00 C ATOM 900 SD MET A 69 -3.958 -1.061 -1.197 1.00 0.00 S ATOM 901 CE MET A 69 -2.638 -0.322 -0.229 1.00 0.00 C ATOM 0 H MET A 69 -8.242 -1.637 -1.506 1.00 0.00 H new ATOM 0 HA MET A 69 -5.635 -2.737 -2.384 1.00 0.00 H new ATOM 0 HB2 MET A 69 -6.586 -1.986 0.287 1.00 0.00 H new ATOM 0 HB3 MET A 69 -6.188 -3.691 0.211 1.00 0.00 H new ATOM 0 HG2 MET A 69 -4.327 -2.096 0.932 1.00 0.00 H new ATOM 0 HG3 MET A 69 -3.927 -3.281 -0.295 1.00 0.00 H new ATOM 0 HE1 MET A 69 -2.237 0.542 -0.760 1.00 0.00 H new ATOM 0 HE2 MET A 69 -3.029 -0.005 0.738 1.00 0.00 H new ATOM 0 HE3 MET A 69 -1.845 -1.054 -0.077 1.00 0.00 H new ATOM 911 N ASP A 70 -6.604 -4.972 -2.734 1.00 0.00 N ATOM 912 CA ASP A 70 -7.185 -6.273 -3.068 1.00 0.00 C ATOM 913 C ASP A 70 -8.657 -6.152 -3.461 1.00 0.00 C ATOM 914 O ASP A 70 -9.509 -6.871 -2.939 1.00 0.00 O ATOM 915 CB ASP A 70 -7.032 -7.239 -1.889 1.00 0.00 C ATOM 916 CG ASP A 70 -7.840 -6.815 -0.679 1.00 0.00 C ATOM 917 OD1 ASP A 70 -7.376 -5.923 0.062 1.00 0.00 O ATOM 918 OD2 ASP A 70 -8.937 -7.375 -0.471 1.00 0.00 O ATOM 0 H ASP A 70 -5.682 -4.812 -3.140 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.643 -6.665 -3.929 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.344 -8.236 -2.198 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.980 -7.306 -1.613 1.00 0.00 H new ATOM 923 N GLY A 71 -8.947 -5.245 -4.387 1.00 0.00 N ATOM 924 CA GLY A 71 -10.313 -5.054 -4.835 1.00 0.00 C ATOM 925 C GLY A 71 -11.222 -4.537 -3.737 1.00 0.00 C ATOM 926 O GLY A 71 -12.446 -4.578 -3.868 1.00 0.00 O ATOM 0 H GLY A 71 -8.260 -4.639 -4.835 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.323 -4.353 -5.669 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.704 -6.000 -5.209 1.00 0.00 H new ATOM 930 N THR A 72 -10.627 -4.052 -2.652 1.00 0.00 N ATOM 931 CA THR A 72 -11.394 -3.530 -1.531 1.00 0.00 C ATOM 932 C THR A 72 -11.358 -2.010 -1.509 1.00 0.00 C ATOM 933 O THR A 72 -10.294 -1.399 -1.593 1.00 0.00 O ATOM 934 CB THR A 72 -10.854 -4.080 -0.212 1.00 0.00 C ATOM 935 OG1 THR A 72 -10.576 -5.464 -0.321 1.00 0.00 O ATOM 936 CG2 THR A 72 -11.806 -3.893 0.950 1.00 0.00 C ATOM 0 H THR A 72 -9.616 -4.010 -2.527 1.00 0.00 H new ATOM 0 HA THR A 72 -12.428 -3.851 -1.654 1.00 0.00 H new ATOM 0 HB THR A 72 -9.947 -3.510 -0.013 1.00 0.00 H new ATOM 0 HG1 THR A 72 -10.399 -5.833 0.569 1.00 0.00 H new ATOM 0 HG21 THR A 72 -11.361 -4.306 1.855 1.00 0.00 H new ATOM 0 HG22 THR A 72 -12.001 -2.830 1.093 1.00 0.00 H new ATOM 0 HG23 THR A 72 -12.743 -4.408 0.739 1.00 0.00 H new ATOM 944 N ALA A 73 -12.533 -1.409 -1.393 1.00 0.00 N ATOM 945 CA ALA A 73 -12.648 0.038 -1.356 1.00 0.00 C ATOM 946 C ALA A 73 -12.758 0.533 0.081 1.00 0.00 C ATOM 947 O ALA A 73 -13.827 0.957 0.524 1.00 0.00 O ATOM 948 CB ALA A 73 -13.850 0.481 -2.176 1.00 0.00 C ATOM 0 H ALA A 73 -13.422 -1.904 -1.323 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.749 0.475 -1.790 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.931 1.568 -2.145 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.725 0.156 -3.209 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -14.756 0.037 -1.763 1.00 0.00 H new ATOM 954 N LEU A 74 -11.648 0.470 0.811 1.00 0.00 N ATOM 955 CA LEU A 74 -11.630 0.906 2.197 1.00 0.00 C ATOM 956 C LEU A 74 -11.532 2.423 2.285 1.00 0.00 C ATOM 957 O LEU A 74 -10.480 3.011 2.038 1.00 0.00 O ATOM 958 CB LEU A 74 -10.472 0.252 2.956 1.00 0.00 C ATOM 959 CG LEU A 74 -9.069 0.733 2.563 1.00 0.00 C ATOM 960 CD1 LEU A 74 -8.440 1.522 3.701 1.00 0.00 C ATOM 961 CD2 LEU A 74 -8.178 -0.442 2.178 1.00 0.00 C ATOM 0 H LEU A 74 -10.754 0.122 0.464 1.00 0.00 H new ATOM 0 HA LEU A 74 -12.566 0.594 2.661 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.613 0.430 4.022 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -10.523 -0.826 2.803 1.00 0.00 H new ATOM 0 HG LEU A 74 -9.166 1.386 1.695 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.445 1.856 3.406 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -9.061 2.388 3.930 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -8.363 0.888 4.584 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.189 -0.074 1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -8.090 -1.124 3.024 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.617 -0.969 1.331 1.00 0.00 H new ATOM 973 N SER A 75 -12.648 3.052 2.628 1.00 0.00 N ATOM 974 CA SER A 75 -12.707 4.502 2.740 1.00 0.00 C ATOM 975 C SER A 75 -12.328 4.963 4.143 1.00 0.00 C ATOM 976 O SER A 75 -13.003 4.633 5.118 1.00 0.00 O ATOM 977 CB SER A 75 -14.112 4.987 2.394 1.00 0.00 C ATOM 978 OG SER A 75 -14.167 6.402 2.336 1.00 0.00 O ATOM 0 H SER A 75 -13.527 2.578 2.834 1.00 0.00 H new ATOM 0 HA SER A 75 -11.989 4.929 2.040 1.00 0.00 H new ATOM 0 HB2 SER A 75 -14.418 4.569 1.435 1.00 0.00 H new ATOM 0 HB3 SER A 75 -14.819 4.623 3.140 1.00 0.00 H new ATOM 0 HG SER A 75 -14.143 6.692 1.400 1.00 0.00 H new ATOM 984 N TYR A 76 -11.247 5.730 4.237 1.00 0.00 N ATOM 985 CA TYR A 76 -10.788 6.237 5.524 1.00 0.00 C ATOM 986 C TYR A 76 -10.195 7.637 5.385 1.00 0.00 C ATOM 987 O TYR A 76 -9.667 8.004 4.332 1.00 0.00 O ATOM 988 CB TYR A 76 -9.766 5.278 6.146 1.00 0.00 C ATOM 989 CG TYR A 76 -8.376 5.372 5.553 1.00 0.00 C ATOM 990 CD1 TYR A 76 -8.167 5.205 4.189 1.00 0.00 C ATOM 991 CD2 TYR A 76 -7.274 5.624 6.361 1.00 0.00 C ATOM 992 CE1 TYR A 76 -6.896 5.286 3.649 1.00 0.00 C ATOM 993 CE2 TYR A 76 -6.003 5.708 5.828 1.00 0.00 C ATOM 994 CZ TYR A 76 -5.819 5.537 4.473 1.00 0.00 C ATOM 995 OH TYR A 76 -4.553 5.617 3.940 1.00 0.00 O ATOM 0 H TYR A 76 -10.675 6.013 3.441 1.00 0.00 H new ATOM 0 HA TYR A 76 -11.651 6.303 6.187 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -9.705 5.476 7.216 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -10.128 4.256 6.031 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.009 5.009 3.542 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -7.414 5.756 7.424 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -6.748 5.153 2.587 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -5.157 5.907 6.470 1.00 0.00 H new ATOM 0 HH TYR A 76 -4.602 5.994 3.037 1.00 0.00 H new ATOM 1005 N ALA A 77 -10.294 8.418 6.456 1.00 0.00 N ATOM 1006 CA ALA A 77 -9.776 9.778 6.460 1.00 0.00 C ATOM 1007 C ALA A 77 -8.286 9.798 6.778 1.00 0.00 C ATOM 1008 O ALA A 77 -7.878 9.544 7.911 1.00 0.00 O ATOM 1009 CB ALA A 77 -10.544 10.629 7.462 1.00 0.00 C ATOM 0 H ALA A 77 -10.729 8.130 7.332 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.912 10.196 5.463 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -10.148 11.644 7.456 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.599 10.650 7.189 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.436 10.203 8.459 1.00 0.00 H new ATOM 1015 N PHE A 78 -7.473 10.104 5.768 1.00 0.00 N ATOM 1016 CA PHE A 78 -6.027 10.161 5.938 1.00 0.00 C ATOM 1017 C PHE A 78 -5.650 11.031 7.136 1.00 0.00 C ATOM 1018 O PHE A 78 -6.514 11.621 7.783 1.00 0.00 O ATOM 1019 CB PHE A 78 -5.363 10.696 4.670 1.00 0.00 C ATOM 1020 CG PHE A 78 -4.891 9.613 3.742 1.00 0.00 C ATOM 1021 CD1 PHE A 78 -5.786 8.693 3.221 1.00 0.00 C ATOM 1022 CD2 PHE A 78 -3.554 9.515 3.394 1.00 0.00 C ATOM 1023 CE1 PHE A 78 -5.356 7.694 2.367 1.00 0.00 C ATOM 1024 CE2 PHE A 78 -3.118 8.518 2.542 1.00 0.00 C ATOM 1025 CZ PHE A 78 -4.020 7.607 2.028 1.00 0.00 C ATOM 0 H PHE A 78 -7.794 10.316 4.823 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.669 9.148 6.125 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.069 11.335 4.141 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -4.514 11.321 4.949 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -6.831 8.757 3.485 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -2.845 10.225 3.793 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.063 6.983 1.966 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.073 8.451 2.278 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.681 6.828 1.362 1.00 0.00 H new ATOM 1035 N ALA A 79 -4.358 11.088 7.433 1.00 0.00 N ATOM 1036 CA ALA A 79 -3.868 11.866 8.565 1.00 0.00 C ATOM 1037 C ALA A 79 -2.888 12.955 8.135 1.00 0.00 C ATOM 1038 O ALA A 79 -2.535 13.068 6.960 1.00 0.00 O ATOM 1039 CB ALA A 79 -3.203 10.937 9.569 1.00 0.00 C ATOM 0 H ALA A 79 -3.630 10.605 6.906 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.724 12.362 9.023 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.837 11.518 10.415 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.927 10.202 9.920 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.368 10.424 9.092 1.00 0.00 H new ATOM 1045 N GLU A 80 -2.446 13.748 9.106 1.00 0.00 N ATOM 1046 CA GLU A 80 -1.496 14.825 8.859 1.00 0.00 C ATOM 1047 C GLU A 80 -0.068 14.285 8.796 1.00 0.00 C ATOM 1048 O GLU A 80 0.800 14.710 9.560 1.00 0.00 O ATOM 1049 CB GLU A 80 -1.599 15.876 9.966 1.00 0.00 C ATOM 1050 CG GLU A 80 -0.778 17.126 9.697 1.00 0.00 C ATOM 1051 CD GLU A 80 -0.595 17.983 10.935 1.00 0.00 C ATOM 1052 OE1 GLU A 80 -1.571 18.138 11.699 1.00 0.00 O ATOM 1053 OE2 GLU A 80 0.524 18.499 11.139 1.00 0.00 O ATOM 0 H GLU A 80 -2.735 13.662 10.081 1.00 0.00 H new ATOM 0 HA GLU A 80 -1.739 15.282 7.900 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.644 16.158 10.091 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.273 15.433 10.907 1.00 0.00 H new ATOM 0 HG2 GLU A 80 0.200 16.838 9.312 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.265 17.716 8.920 1.00 0.00 H new ATOM 1060 N ALA A 81 0.173 13.344 7.889 1.00 0.00 N ATOM 1061 CA ALA A 81 1.497 12.755 7.744 1.00 0.00 C ATOM 1062 C ALA A 81 2.382 13.600 6.839 1.00 0.00 C ATOM 1063 O ALA A 81 1.900 14.441 6.085 1.00 0.00 O ATOM 1064 CB ALA A 81 1.398 11.338 7.201 1.00 0.00 C ATOM 0 H ALA A 81 -0.528 12.975 7.247 1.00 0.00 H new ATOM 0 HA ALA A 81 1.953 12.723 8.733 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.398 10.916 7.100 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.813 10.725 7.887 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.912 11.355 6.226 1.00 0.00 H new ATOM 1070 N THR A 82 3.683 13.364 6.924 1.00 0.00 N ATOM 1071 CA THR A 82 4.657 14.090 6.121 1.00 0.00 C ATOM 1072 C THR A 82 5.876 13.218 5.868 1.00 0.00 C ATOM 1073 O THR A 82 6.315 13.052 4.731 1.00 0.00 O ATOM 1074 CB THR A 82 5.068 15.378 6.830 1.00 0.00 C ATOM 1075 OG1 THR A 82 6.260 15.901 6.273 1.00 0.00 O ATOM 1076 CG2 THR A 82 5.293 15.198 8.317 1.00 0.00 C ATOM 0 H THR A 82 4.092 12.668 7.548 1.00 0.00 H new ATOM 0 HA THR A 82 4.204 14.348 5.164 1.00 0.00 H new ATOM 0 HB THR A 82 4.233 16.064 6.687 1.00 0.00 H new ATOM 0 HG1 THR A 82 6.505 16.727 6.741 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.583 16.151 8.759 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.373 14.846 8.784 1.00 0.00 H new ATOM 0 HG23 THR A 82 6.085 14.467 8.479 1.00 0.00 H new ATOM 1084 N VAL A 83 6.399 12.640 6.941 1.00 0.00 N ATOM 1085 CA VAL A 83 7.547 11.754 6.855 1.00 0.00 C ATOM 1086 C VAL A 83 7.078 10.378 6.399 1.00 0.00 C ATOM 1087 O VAL A 83 6.010 9.937 6.808 1.00 0.00 O ATOM 1088 CB VAL A 83 8.253 11.621 8.222 1.00 0.00 C ATOM 1089 CG1 VAL A 83 9.638 11.021 8.060 1.00 0.00 C ATOM 1090 CG2 VAL A 83 8.326 12.971 8.922 1.00 0.00 C ATOM 0 H VAL A 83 6.041 12.772 7.887 1.00 0.00 H new ATOM 0 HA VAL A 83 8.256 12.174 6.141 1.00 0.00 H new ATOM 0 HB VAL A 83 7.665 10.946 8.844 1.00 0.00 H new ATOM 0 HG11 VAL A 83 10.115 10.938 9.037 1.00 0.00 H new ATOM 0 HG12 VAL A 83 9.556 10.031 7.611 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.240 11.663 7.416 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.827 12.856 9.883 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.886 13.672 8.303 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.318 13.353 9.082 1.00 0.00 H new ATOM 1100 N PRO A 84 7.847 9.686 5.538 1.00 0.00 N ATOM 1101 CA PRO A 84 7.472 8.363 5.033 1.00 0.00 C ATOM 1102 C PRO A 84 6.772 7.499 6.083 1.00 0.00 C ATOM 1103 O PRO A 84 7.404 6.686 6.757 1.00 0.00 O ATOM 1104 CB PRO A 84 8.821 7.766 4.648 1.00 0.00 C ATOM 1105 CG PRO A 84 9.622 8.938 4.184 1.00 0.00 C ATOM 1106 CD PRO A 84 9.135 10.134 4.971 1.00 0.00 C ATOM 0 HA PRO A 84 6.754 8.419 4.215 1.00 0.00 H new ATOM 0 HB2 PRO A 84 9.294 7.271 5.496 1.00 0.00 H new ATOM 0 HB3 PRO A 84 8.716 7.019 3.861 1.00 0.00 H new ATOM 0 HG2 PRO A 84 10.686 8.771 4.352 1.00 0.00 H new ATOM 0 HG3 PRO A 84 9.490 9.098 3.114 1.00 0.00 H new ATOM 0 HD2 PRO A 84 9.841 10.412 5.754 1.00 0.00 H new ATOM 0 HD3 PRO A 84 9.008 11.008 4.332 1.00 0.00 H new ATOM 1114 N VAL A 85 5.459 7.688 6.212 1.00 0.00 N ATOM 1115 CA VAL A 85 4.665 6.933 7.176 1.00 0.00 C ATOM 1116 C VAL A 85 3.945 5.780 6.486 1.00 0.00 C ATOM 1117 O VAL A 85 3.752 5.800 5.272 1.00 0.00 O ATOM 1118 CB VAL A 85 3.627 7.833 7.885 1.00 0.00 C ATOM 1119 CG1 VAL A 85 2.799 7.021 8.871 1.00 0.00 C ATOM 1120 CG2 VAL A 85 4.316 8.998 8.589 1.00 0.00 C ATOM 0 H VAL A 85 4.924 8.358 5.660 1.00 0.00 H new ATOM 0 HA VAL A 85 5.352 6.540 7.926 1.00 0.00 H new ATOM 0 HB VAL A 85 2.955 8.241 7.130 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.074 7.672 9.360 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.274 6.228 8.339 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.456 6.581 9.621 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.568 9.619 9.082 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.014 8.613 9.332 1.00 0.00 H new ATOM 0 HG23 VAL A 85 4.859 9.596 7.857 1.00 0.00 H new ATOM 1130 N THR A 86 3.558 4.772 7.260 1.00 0.00 N ATOM 1131 CA THR A 86 2.870 3.612 6.703 1.00 0.00 C ATOM 1132 C THR A 86 1.540 3.358 7.407 1.00 0.00 C ATOM 1133 O THR A 86 1.435 3.476 8.628 1.00 0.00 O ATOM 1134 CB THR A 86 3.759 2.368 6.801 1.00 0.00 C ATOM 1135 OG1 THR A 86 5.011 2.687 7.384 1.00 0.00 O ATOM 1136 CG2 THR A 86 4.031 1.722 5.460 1.00 0.00 C ATOM 0 H THR A 86 3.707 4.734 8.268 1.00 0.00 H new ATOM 0 HA THR A 86 2.662 3.824 5.654 1.00 0.00 H new ATOM 0 HB THR A 86 3.203 1.665 7.422 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.562 1.878 7.439 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.666 0.847 5.600 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.088 1.417 5.005 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.535 2.435 4.808 1.00 0.00 H new ATOM 1144 N TYR A 87 0.532 2.994 6.622 1.00 0.00 N ATOM 1145 CA TYR A 87 -0.796 2.705 7.152 1.00 0.00 C ATOM 1146 C TYR A 87 -1.004 1.193 7.222 1.00 0.00 C ATOM 1147 O TYR A 87 -1.155 0.535 6.194 1.00 0.00 O ATOM 1148 CB TYR A 87 -1.864 3.370 6.270 1.00 0.00 C ATOM 1149 CG TYR A 87 -3.177 2.620 6.197 1.00 0.00 C ATOM 1150 CD1 TYR A 87 -4.195 2.874 7.106 1.00 0.00 C ATOM 1151 CD2 TYR A 87 -3.395 1.659 5.217 1.00 0.00 C ATOM 1152 CE1 TYR A 87 -5.395 2.192 7.042 1.00 0.00 C ATOM 1153 CE2 TYR A 87 -4.590 0.973 5.146 1.00 0.00 C ATOM 1154 CZ TYR A 87 -5.588 1.243 6.060 1.00 0.00 C ATOM 1155 OH TYR A 87 -6.781 0.558 5.992 1.00 0.00 O ATOM 0 H TYR A 87 0.610 2.892 5.610 1.00 0.00 H new ATOM 0 HA TYR A 87 -0.885 3.110 8.160 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -2.055 4.374 6.648 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -1.467 3.479 5.261 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -4.047 3.617 7.876 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.616 1.446 4.499 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -6.177 2.401 7.757 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -4.744 0.228 4.379 1.00 0.00 H new ATOM 0 HH TYR A 87 -6.804 0.022 5.172 1.00 0.00 H new ATOM 1165 N VAL A 88 -0.990 0.645 8.436 1.00 0.00 N ATOM 1166 CA VAL A 88 -1.156 -0.794 8.624 1.00 0.00 C ATOM 1167 C VAL A 88 -2.618 -1.217 8.615 1.00 0.00 C ATOM 1168 O VAL A 88 -3.435 -0.711 9.385 1.00 0.00 O ATOM 1169 CB VAL A 88 -0.519 -1.275 9.943 1.00 0.00 C ATOM 1170 CG1 VAL A 88 -0.543 -2.798 10.029 1.00 0.00 C ATOM 1171 CG2 VAL A 88 0.902 -0.744 10.075 1.00 0.00 C ATOM 0 H VAL A 88 -0.866 1.173 9.300 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.647 -1.257 7.779 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.106 -0.882 10.773 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.089 -3.117 10.967 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.574 -3.149 9.988 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.017 -3.218 9.194 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.336 -1.094 11.012 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.504 -1.103 9.240 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.885 0.346 10.067 1.00 0.00 H new ATOM 1181 N GLN A 89 -2.923 -2.181 7.756 1.00 0.00 N ATOM 1182 CA GLN A 89 -4.264 -2.731 7.644 1.00 0.00 C ATOM 1183 C GLN A 89 -4.151 -4.209 7.322 1.00 0.00 C ATOM 1184 O GLN A 89 -3.661 -4.579 6.261 1.00 0.00 O ATOM 1185 CB GLN A 89 -5.068 -2.013 6.560 1.00 0.00 C ATOM 1186 CG GLN A 89 -6.467 -2.577 6.367 1.00 0.00 C ATOM 1187 CD GLN A 89 -6.983 -2.399 4.952 1.00 0.00 C ATOM 1188 OE1 GLN A 89 -6.490 -1.558 4.200 1.00 0.00 O ATOM 1189 NE2 GLN A 89 -7.983 -3.191 4.583 1.00 0.00 N ATOM 0 H GLN A 89 -2.247 -2.602 7.119 1.00 0.00 H new ATOM 0 HA GLN A 89 -4.791 -2.590 8.588 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -5.143 -0.956 6.815 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -4.526 -2.075 5.616 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -6.464 -3.638 6.617 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -7.150 -2.088 7.062 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -8.361 -3.874 5.239 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -8.373 -3.116 3.643 1.00 0.00 H new ATOM 1198 N THR A 90 -4.571 -5.059 8.244 1.00 0.00 N ATOM 1199 CA THR A 90 -4.459 -6.491 8.028 1.00 0.00 C ATOM 1200 C THR A 90 -5.559 -7.002 7.112 1.00 0.00 C ATOM 1201 O THR A 90 -6.748 -6.925 7.423 1.00 0.00 O ATOM 1202 CB THR A 90 -4.464 -7.232 9.362 1.00 0.00 C ATOM 1203 OG1 THR A 90 -5.493 -6.746 10.210 1.00 0.00 O ATOM 1204 CG2 THR A 90 -3.147 -7.102 10.100 1.00 0.00 C ATOM 0 H THR A 90 -4.986 -4.788 9.135 1.00 0.00 H new ATOM 0 HA THR A 90 -3.508 -6.685 7.531 1.00 0.00 H new ATOM 0 HB THR A 90 -4.633 -8.281 9.120 1.00 0.00 H new ATOM 0 HG1 THR A 90 -6.308 -6.601 9.685 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.203 -7.647 11.042 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.345 -7.516 9.489 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.945 -6.050 10.301 1.00 0.00 H new ATOM 1212 N LYS A 91 -5.127 -7.513 5.965 1.00 0.00 N ATOM 1213 CA LYS A 91 -6.027 -8.039 4.948 1.00 0.00 C ATOM 1214 C LYS A 91 -5.525 -9.390 4.457 1.00 0.00 C ATOM 1215 O LYS A 91 -4.395 -9.507 3.987 1.00 0.00 O ATOM 1216 CB LYS A 91 -6.104 -7.053 3.772 1.00 0.00 C ATOM 1217 CG LYS A 91 -7.213 -7.318 2.750 1.00 0.00 C ATOM 1218 CD LYS A 91 -7.777 -8.729 2.824 1.00 0.00 C ATOM 1219 CE LYS A 91 -8.939 -8.916 1.865 1.00 0.00 C ATOM 1220 NZ LYS A 91 -10.005 -9.781 2.444 1.00 0.00 N ATOM 0 H LYS A 91 -4.140 -7.574 5.714 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.020 -8.167 5.379 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.238 -6.048 4.173 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -5.146 -7.063 3.251 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.021 -6.603 2.907 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.823 -7.143 1.747 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -6.992 -9.448 2.590 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.107 -8.937 3.842 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.360 -7.943 1.611 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.576 -9.359 0.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.816 -9.815 1.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.634 -10.742 2.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.310 -9.391 3.358 1.00 0.00 H new ATOM 1234 N THR A 92 -6.370 -10.405 4.559 1.00 0.00 N ATOM 1235 CA THR A 92 -6.010 -11.736 4.114 1.00 0.00 C ATOM 1236 C THR A 92 -6.468 -11.962 2.677 1.00 0.00 C ATOM 1237 O THR A 92 -7.664 -12.055 2.403 1.00 0.00 O ATOM 1238 CB THR A 92 -6.634 -12.776 5.039 1.00 0.00 C ATOM 1239 OG1 THR A 92 -6.851 -12.232 6.329 1.00 0.00 O ATOM 1240 CG2 THR A 92 -5.783 -14.014 5.202 1.00 0.00 C ATOM 0 H THR A 92 -7.310 -10.329 4.947 1.00 0.00 H new ATOM 0 HA THR A 92 -4.925 -11.836 4.146 1.00 0.00 H new ATOM 0 HB THR A 92 -7.574 -13.059 4.566 1.00 0.00 H new ATOM 0 HG1 THR A 92 -7.253 -12.913 6.908 1.00 0.00 H new ATOM 0 HG21 THR A 92 -6.283 -14.714 5.872 1.00 0.00 H new ATOM 0 HG22 THR A 92 -5.635 -14.485 4.230 1.00 0.00 H new ATOM 0 HG23 THR A 92 -4.816 -13.738 5.622 1.00 0.00 H new ATOM 1248 N LEU A 93 -5.508 -12.053 1.760 1.00 0.00 N ATOM 1249 CA LEU A 93 -5.825 -12.275 0.349 1.00 0.00 C ATOM 1250 C LEU A 93 -5.419 -13.678 -0.101 1.00 0.00 C ATOM 1251 O LEU A 93 -4.478 -14.271 0.430 1.00 0.00 O ATOM 1252 CB LEU A 93 -5.210 -11.192 -0.566 1.00 0.00 C ATOM 1253 CG LEU A 93 -3.916 -10.552 -0.067 1.00 0.00 C ATOM 1254 CD1 LEU A 93 -4.201 -9.521 1.016 1.00 0.00 C ATOM 1255 CD2 LEU A 93 -2.994 -11.632 0.441 1.00 0.00 C ATOM 0 H LEU A 93 -4.512 -11.977 1.965 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.908 -12.194 0.253 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -5.020 -11.635 -1.543 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.949 -10.404 -0.712 1.00 0.00 H new ATOM 0 HG LEU A 93 -3.432 -10.029 -0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.263 -9.080 1.354 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.845 -8.739 0.614 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.699 -10.004 1.857 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -2.068 -11.181 0.799 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.477 -12.167 1.259 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.770 -12.329 -0.367 1.00 0.00 H new ATOM 1267 N SER A 94 -6.156 -14.218 -1.066 1.00 0.00 N ATOM 1268 CA SER A 94 -5.892 -15.554 -1.568 1.00 0.00 C ATOM 1269 C SER A 94 -5.057 -15.519 -2.841 1.00 0.00 C ATOM 1270 O SER A 94 -5.044 -14.522 -3.561 1.00 0.00 O ATOM 1271 CB SER A 94 -7.205 -16.293 -1.824 1.00 0.00 C ATOM 1272 OG SER A 94 -8.004 -16.337 -0.654 1.00 0.00 O ATOM 0 H SER A 94 -6.942 -13.747 -1.514 1.00 0.00 H new ATOM 0 HA SER A 94 -5.322 -16.086 -0.807 1.00 0.00 H new ATOM 0 HB2 SER A 94 -7.754 -15.797 -2.624 1.00 0.00 H new ATOM 0 HB3 SER A 94 -6.995 -17.308 -2.162 1.00 0.00 H new ATOM 0 HG SER A 94 -8.839 -16.814 -0.846 1.00 0.00 H new ATOM 1278 N ALA A 95 -4.361 -16.621 -3.110 1.00 0.00 N ATOM 1279 CA ALA A 95 -3.520 -16.729 -4.295 1.00 0.00 C ATOM 1280 C ALA A 95 -4.330 -16.515 -5.569 1.00 0.00 C ATOM 1281 O ALA A 95 -5.431 -17.045 -5.715 1.00 0.00 O ATOM 1282 CB ALA A 95 -2.831 -18.084 -4.329 1.00 0.00 C ATOM 0 H ALA A 95 -4.364 -17.453 -2.520 1.00 0.00 H new ATOM 0 HA ALA A 95 -2.763 -15.947 -4.243 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.206 -18.152 -5.219 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.211 -18.199 -3.440 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.582 -18.874 -4.352 1.00 0.00 H new ATOM 1288 N GLY A 96 -3.776 -15.731 -6.487 1.00 0.00 N ATOM 1289 CA GLY A 96 -4.455 -15.456 -7.738 1.00 0.00 C ATOM 1290 C GLY A 96 -4.263 -14.023 -8.191 1.00 0.00 C ATOM 1291 O GLY A 96 -3.283 -13.376 -7.824 1.00 0.00 O ATOM 0 H GLY A 96 -2.867 -15.280 -6.386 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.082 -16.132 -8.508 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.520 -15.660 -7.624 1.00 0.00 H new ATOM 1295 N ASN A 97 -5.200 -13.523 -8.990 1.00 0.00 N ATOM 1296 CA ASN A 97 -5.121 -12.157 -9.488 1.00 0.00 C ATOM 1297 C ASN A 97 -5.944 -11.216 -8.616 1.00 0.00 C ATOM 1298 O ASN A 97 -7.166 -11.346 -8.526 1.00 0.00 O ATOM 1299 CB ASN A 97 -5.606 -12.086 -10.937 1.00 0.00 C ATOM 1300 CG ASN A 97 -5.485 -10.692 -11.522 1.00 0.00 C ATOM 1301 OD1 ASN A 97 -6.426 -10.175 -12.125 1.00 0.00 O ATOM 1302 ND2 ASN A 97 -4.322 -10.074 -11.346 1.00 0.00 N ATOM 0 H ASN A 97 -6.020 -14.042 -9.305 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.078 -11.843 -9.450 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.029 -12.783 -11.545 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -6.646 -12.408 -10.985 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -4.183 -9.134 -11.717 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -3.569 -10.539 -10.840 1.00 0.00 H new ATOM 1309 N HIS A 98 -5.269 -10.266 -7.980 1.00 0.00 N ATOM 1310 CA HIS A 98 -5.936 -9.299 -7.119 1.00 0.00 C ATOM 1311 C HIS A 98 -5.725 -7.883 -7.641 1.00 0.00 C ATOM 1312 O HIS A 98 -4.913 -7.659 -8.539 1.00 0.00 O ATOM 1313 CB HIS A 98 -5.420 -9.419 -5.684 1.00 0.00 C ATOM 1314 CG HIS A 98 -6.038 -10.552 -4.924 1.00 0.00 C ATOM 1315 ND1 HIS A 98 -6.420 -10.453 -3.602 1.00 0.00 N ATOM 1316 CD2 HIS A 98 -6.345 -11.814 -5.309 1.00 0.00 C ATOM 1317 CE1 HIS A 98 -6.935 -11.604 -3.207 1.00 0.00 C ATOM 1318 NE2 HIS A 98 -6.901 -12.446 -4.224 1.00 0.00 N ATOM 0 H HIS A 98 -4.258 -10.145 -8.045 1.00 0.00 H new ATOM 0 HA HIS A 98 -7.005 -9.513 -7.124 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -4.338 -9.552 -5.704 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -5.617 -8.486 -5.155 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -6.183 -12.243 -6.287 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -7.318 -11.820 -2.221 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -7.234 -13.410 -4.206 1.00 0.00 H new ATOM 1327 N SER A 99 -6.462 -6.931 -7.081 1.00 0.00 N ATOM 1328 CA SER A 99 -6.355 -5.540 -7.504 1.00 0.00 C ATOM 1329 C SER A 99 -5.968 -4.631 -6.342 1.00 0.00 C ATOM 1330 O SER A 99 -6.702 -4.508 -5.363 1.00 0.00 O ATOM 1331 CB SER A 99 -7.676 -5.071 -8.114 1.00 0.00 C ATOM 1332 OG SER A 99 -8.603 -4.707 -7.105 1.00 0.00 O ATOM 0 H SER A 99 -7.138 -7.096 -6.335 1.00 0.00 H new ATOM 0 HA SER A 99 -5.568 -5.481 -8.256 1.00 0.00 H new ATOM 0 HB2 SER A 99 -7.495 -4.220 -8.770 1.00 0.00 H new ATOM 0 HB3 SER A 99 -8.098 -5.865 -8.730 1.00 0.00 H new ATOM 0 HG SER A 99 -9.196 -4.004 -7.444 1.00 0.00 H new ATOM 1338 N PHE A 100 -4.816 -3.984 -6.468 1.00 0.00 N ATOM 1339 CA PHE A 100 -4.330 -3.069 -5.443 1.00 0.00 C ATOM 1340 C PHE A 100 -4.247 -1.658 -6.011 1.00 0.00 C ATOM 1341 O PHE A 100 -4.305 -1.477 -7.227 1.00 0.00 O ATOM 1342 CB PHE A 100 -2.957 -3.518 -4.937 1.00 0.00 C ATOM 1343 CG PHE A 100 -3.016 -4.687 -3.994 1.00 0.00 C ATOM 1344 CD1 PHE A 100 -3.319 -4.500 -2.655 1.00 0.00 C ATOM 1345 CD2 PHE A 100 -2.764 -5.974 -4.447 1.00 0.00 C ATOM 1346 CE1 PHE A 100 -3.373 -5.572 -1.785 1.00 0.00 C ATOM 1347 CE2 PHE A 100 -2.816 -7.051 -3.581 1.00 0.00 C ATOM 1348 CZ PHE A 100 -3.122 -6.849 -2.249 1.00 0.00 C ATOM 0 H PHE A 100 -4.198 -4.077 -7.274 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.026 -3.075 -4.604 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -2.333 -3.782 -5.791 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -2.473 -2.681 -4.435 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -3.515 -3.504 -2.287 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -2.525 -6.137 -5.488 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -3.611 -5.412 -0.744 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -2.618 -8.048 -3.945 1.00 0.00 H new ATOM 0 HZ PHE A 100 -3.165 -7.689 -1.571 1.00 0.00 H new ATOM 1358 N GLY A 101 -4.119 -0.658 -5.143 1.00 0.00 N ATOM 1359 CA GLY A 101 -4.041 0.706 -5.623 1.00 0.00 C ATOM 1360 C GLY A 101 -4.514 1.731 -4.614 1.00 0.00 C ATOM 1361 O GLY A 101 -4.635 1.450 -3.423 1.00 0.00 O ATOM 0 H GLY A 101 -4.069 -0.767 -4.130 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -3.010 0.927 -5.897 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.639 0.798 -6.530 1.00 0.00 H new ATOM 1365 N VAL A 102 -4.790 2.927 -5.113 1.00 0.00 N ATOM 1366 CA VAL A 102 -5.267 4.028 -4.286 1.00 0.00 C ATOM 1367 C VAL A 102 -6.127 4.958 -5.134 1.00 0.00 C ATOM 1368 O VAL A 102 -5.685 5.430 -6.177 1.00 0.00 O ATOM 1369 CB VAL A 102 -4.108 4.830 -3.640 1.00 0.00 C ATOM 1370 CG1 VAL A 102 -4.418 5.127 -2.187 1.00 0.00 C ATOM 1371 CG2 VAL A 102 -2.783 4.087 -3.737 1.00 0.00 C ATOM 0 H VAL A 102 -4.690 3.162 -6.100 1.00 0.00 H new ATOM 0 HA VAL A 102 -5.854 3.601 -3.473 1.00 0.00 H new ATOM 0 HB VAL A 102 -4.014 5.765 -4.193 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -3.595 5.690 -1.747 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.334 5.714 -2.123 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -4.548 4.191 -1.644 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -1.997 4.683 -3.273 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -2.864 3.129 -3.223 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -2.538 3.916 -4.785 1.00 0.00 H new ATOM 1381 N ARG A 103 -7.368 5.189 -4.712 1.00 0.00 N ATOM 1382 CA ARG A 103 -8.281 6.032 -5.483 1.00 0.00 C ATOM 1383 C ARG A 103 -8.847 7.190 -4.666 1.00 0.00 C ATOM 1384 O ARG A 103 -8.976 7.113 -3.444 1.00 0.00 O ATOM 1385 CB ARG A 103 -9.424 5.169 -6.048 1.00 0.00 C ATOM 1386 CG ARG A 103 -10.744 5.906 -6.269 1.00 0.00 C ATOM 1387 CD ARG A 103 -10.687 6.824 -7.481 1.00 0.00 C ATOM 1388 NE ARG A 103 -11.403 6.260 -8.625 1.00 0.00 N ATOM 1389 CZ ARG A 103 -11.325 6.743 -9.861 1.00 0.00 C ATOM 1390 NH1 ARG A 103 -10.569 7.803 -10.120 1.00 0.00 N ATOM 1391 NH2 ARG A 103 -12.003 6.164 -10.844 1.00 0.00 N ATOM 0 H ARG A 103 -7.762 4.810 -3.851 1.00 0.00 H new ATOM 0 HA ARG A 103 -7.708 6.475 -6.298 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -9.101 4.742 -6.997 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -9.600 4.336 -5.367 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -11.547 5.181 -6.401 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -10.986 6.491 -5.382 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -11.118 7.792 -7.224 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -9.647 7.000 -7.755 1.00 0.00 H new ATOM 0 HE ARG A 103 -11.998 5.447 -8.465 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -10.044 8.251 -9.369 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -10.513 8.169 -11.070 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -12.584 5.348 -10.651 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -11.943 6.535 -11.792 1.00 0.00 H new ATOM 1405 N VAL A 104 -9.207 8.251 -5.381 1.00 0.00 N ATOM 1406 CA VAL A 104 -9.795 9.443 -4.786 1.00 0.00 C ATOM 1407 C VAL A 104 -11.002 9.878 -5.612 1.00 0.00 C ATOM 1408 O VAL A 104 -10.910 9.999 -6.833 1.00 0.00 O ATOM 1409 CB VAL A 104 -8.784 10.612 -4.703 1.00 0.00 C ATOM 1410 CG1 VAL A 104 -8.284 10.783 -3.289 1.00 0.00 C ATOM 1411 CG2 VAL A 104 -7.626 10.414 -5.675 1.00 0.00 C ATOM 0 H VAL A 104 -9.098 8.307 -6.394 1.00 0.00 H new ATOM 0 HA VAL A 104 -10.097 9.191 -3.769 1.00 0.00 H new ATOM 0 HB VAL A 104 -9.302 11.526 -4.994 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -7.574 11.610 -3.251 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -9.125 10.996 -2.629 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -7.791 9.867 -2.964 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -6.934 11.252 -5.592 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -7.104 9.487 -5.435 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -8.011 10.361 -6.693 1.00 0.00 H new ATOM 1421 N GLY A 105 -12.137 10.096 -4.954 1.00 0.00 N ATOM 1422 CA GLY A 105 -13.337 10.495 -5.672 1.00 0.00 C ATOM 1423 C GLY A 105 -14.000 11.722 -5.079 1.00 0.00 C ATOM 1424 O GLY A 105 -13.718 12.101 -3.946 1.00 0.00 O ATOM 0 H GLY A 105 -12.248 10.005 -3.944 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -13.082 10.694 -6.713 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -14.047 9.668 -5.670 1.00 0.00 H new ATOM 1428 N SER A 106 -14.889 12.341 -5.851 1.00 0.00 N ATOM 1429 CA SER A 106 -15.600 13.534 -5.398 1.00 0.00 C ATOM 1430 C SER A 106 -16.200 13.318 -4.011 1.00 0.00 C ATOM 1431 O SER A 106 -16.365 14.264 -3.240 1.00 0.00 O ATOM 1432 CB SER A 106 -16.702 13.901 -6.393 1.00 0.00 C ATOM 1433 OG SER A 106 -17.624 14.815 -5.821 1.00 0.00 O ATOM 0 H SER A 106 -15.135 12.037 -6.793 1.00 0.00 H new ATOM 0 HA SER A 106 -14.884 14.354 -5.339 1.00 0.00 H new ATOM 0 HB2 SER A 106 -16.258 14.339 -7.287 1.00 0.00 H new ATOM 0 HB3 SER A 106 -17.227 12.999 -6.708 1.00 0.00 H new ATOM 0 HG SER A 106 -18.317 15.035 -6.478 1.00 0.00 H new ATOM 1439 N SER A 107 -16.520 12.066 -3.698 1.00 0.00 N ATOM 1440 CA SER A 107 -17.095 11.724 -2.405 1.00 0.00 C ATOM 1441 C SER A 107 -16.011 11.649 -1.333 1.00 0.00 C ATOM 1442 O SER A 107 -16.269 11.907 -0.157 1.00 0.00 O ATOM 1443 CB SER A 107 -17.836 10.388 -2.492 1.00 0.00 C ATOM 1444 OG SER A 107 -18.084 9.856 -1.202 1.00 0.00 O ATOM 0 H SER A 107 -16.390 11.272 -4.324 1.00 0.00 H new ATOM 0 HA SER A 107 -17.802 12.506 -2.129 1.00 0.00 H new ATOM 0 HB2 SER A 107 -18.780 10.526 -3.019 1.00 0.00 H new ATOM 0 HB3 SER A 107 -17.247 9.679 -3.074 1.00 0.00 H new ATOM 0 HG SER A 107 -18.560 9.003 -1.286 1.00 0.00 H new ATOM 1450 N ASP A 108 -14.799 11.296 -1.749 1.00 0.00 N ATOM 1451 CA ASP A 108 -13.678 11.189 -0.832 1.00 0.00 C ATOM 1452 C ASP A 108 -12.772 12.411 -0.935 1.00 0.00 C ATOM 1453 O ASP A 108 -12.682 13.203 -0.001 1.00 0.00 O ATOM 1454 CB ASP A 108 -12.877 9.916 -1.112 1.00 0.00 C ATOM 1455 CG ASP A 108 -13.125 8.842 -0.072 1.00 0.00 C ATOM 1456 OD1 ASP A 108 -14.144 8.129 -0.186 1.00 0.00 O ATOM 1457 OD2 ASP A 108 -12.300 8.713 0.857 1.00 0.00 O ATOM 0 H ASP A 108 -14.571 11.079 -2.719 1.00 0.00 H new ATOM 0 HA ASP A 108 -14.076 11.140 0.182 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -13.141 9.532 -2.098 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -11.814 10.156 -1.137 1.00 0.00 H new ATOM 1462 N TRP A 109 -12.104 12.553 -2.078 1.00 0.00 N ATOM 1463 CA TRP A 109 -11.199 13.676 -2.322 1.00 0.00 C ATOM 1464 C TRP A 109 -9.850 13.455 -1.637 1.00 0.00 C ATOM 1465 O TRP A 109 -9.795 13.066 -0.471 1.00 0.00 O ATOM 1466 CB TRP A 109 -11.857 14.994 -1.872 1.00 0.00 C ATOM 1467 CG TRP A 109 -11.382 15.533 -0.554 1.00 0.00 C ATOM 1468 CD1 TRP A 109 -12.122 15.694 0.581 1.00 0.00 C ATOM 1469 CD2 TRP A 109 -10.071 16.005 -0.247 1.00 0.00 C ATOM 1470 NE1 TRP A 109 -11.347 16.233 1.578 1.00 0.00 N ATOM 1471 CE2 TRP A 109 -10.081 16.435 1.093 1.00 0.00 C ATOM 1472 CE3 TRP A 109 -8.889 16.100 -0.979 1.00 0.00 C ATOM 1473 CZ2 TRP A 109 -8.951 16.956 1.715 1.00 0.00 C ATOM 1474 CZ3 TRP A 109 -7.767 16.617 -0.360 1.00 0.00 C ATOM 1475 CH2 TRP A 109 -7.805 17.042 0.974 1.00 0.00 C ATOM 0 H TRP A 109 -12.173 11.898 -2.857 1.00 0.00 H new ATOM 0 HA TRP A 109 -11.006 13.743 -3.393 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -11.681 15.749 -2.639 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -12.935 14.842 -1.816 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -13.166 15.435 0.681 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -11.662 16.448 2.524 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -8.851 15.776 -2.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -8.978 17.280 2.745 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -6.844 16.695 -0.915 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -6.911 17.446 1.426 1.00 0.00 H new ATOM 1486 N GLY A 110 -8.759 13.701 -2.368 1.00 0.00 N ATOM 1487 CA GLY A 110 -7.436 13.508 -1.795 1.00 0.00 C ATOM 1488 C GLY A 110 -6.420 14.566 -2.195 1.00 0.00 C ATOM 1489 O GLY A 110 -6.763 15.591 -2.778 1.00 0.00 O ATOM 0 H GLY A 110 -8.769 14.026 -3.335 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -7.522 13.496 -0.708 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -7.062 12.530 -2.096 1.00 0.00 H new ATOM 1493 N TYR A 111 -5.161 14.295 -1.859 1.00 0.00 N ATOM 1494 CA TYR A 111 -4.037 15.189 -2.143 1.00 0.00 C ATOM 1495 C TYR A 111 -2.814 14.694 -1.379 1.00 0.00 C ATOM 1496 O TYR A 111 -2.449 15.256 -0.347 1.00 0.00 O ATOM 1497 CB TYR A 111 -4.360 16.628 -1.715 1.00 0.00 C ATOM 1498 CG TYR A 111 -4.583 17.588 -2.863 1.00 0.00 C ATOM 1499 CD1 TYR A 111 -3.534 17.964 -3.694 1.00 0.00 C ATOM 1500 CD2 TYR A 111 -5.840 18.126 -3.110 1.00 0.00 C ATOM 1501 CE1 TYR A 111 -3.734 18.847 -4.738 1.00 0.00 C ATOM 1502 CE2 TYR A 111 -6.047 19.009 -4.151 1.00 0.00 C ATOM 1503 CZ TYR A 111 -4.991 19.367 -4.963 1.00 0.00 C ATOM 1504 OH TYR A 111 -5.194 20.246 -6.001 1.00 0.00 O ATOM 0 H TYR A 111 -4.888 13.439 -1.376 1.00 0.00 H new ATOM 0 HA TYR A 111 -3.843 15.187 -3.216 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -5.252 16.616 -1.089 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -3.543 17.002 -1.098 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -2.548 17.560 -3.521 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -6.670 17.849 -2.477 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -2.909 19.129 -5.375 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -7.031 19.417 -4.329 1.00 0.00 H new ATOM 0 HH TYR A 111 -6.136 20.516 -6.021 1.00 0.00 H new ATOM 1514 N MET A 112 -2.198 13.621 -1.864 1.00 0.00 N ATOM 1515 CA MET A 112 -1.040 13.053 -1.181 1.00 0.00 C ATOM 1516 C MET A 112 -0.081 12.375 -2.149 1.00 0.00 C ATOM 1517 O MET A 112 -0.292 12.378 -3.363 1.00 0.00 O ATOM 1518 CB MET A 112 -1.504 12.039 -0.129 1.00 0.00 C ATOM 1519 CG MET A 112 -2.472 10.993 -0.670 1.00 0.00 C ATOM 1520 SD MET A 112 -1.648 9.709 -1.636 1.00 0.00 S ATOM 1521 CE MET A 112 -2.714 8.296 -1.339 1.00 0.00 C ATOM 0 H MET A 112 -2.476 13.132 -2.715 1.00 0.00 H new ATOM 0 HA MET A 112 -0.507 13.875 -0.703 1.00 0.00 H new ATOM 0 HB2 MET A 112 -0.631 11.534 0.285 1.00 0.00 H new ATOM 0 HB3 MET A 112 -1.982 12.574 0.692 1.00 0.00 H new ATOM 0 HG2 MET A 112 -3.002 10.531 0.162 1.00 0.00 H new ATOM 0 HG3 MET A 112 -3.221 11.484 -1.291 1.00 0.00 H new ATOM 0 HE1 MET A 112 -2.860 7.748 -2.270 1.00 0.00 H new ATOM 0 HE2 MET A 112 -2.252 7.640 -0.601 1.00 0.00 H new ATOM 0 HE3 MET A 112 -3.679 8.640 -0.966 1.00 0.00 H new ATOM 1531 N ASN A 113 0.971 11.784 -1.591 1.00 0.00 N ATOM 1532 CA ASN A 113 1.970 11.084 -2.381 1.00 0.00 C ATOM 1533 C ASN A 113 1.928 9.589 -2.084 1.00 0.00 C ATOM 1534 O ASN A 113 1.800 9.180 -0.931 1.00 0.00 O ATOM 1535 CB ASN A 113 3.366 11.637 -2.092 1.00 0.00 C ATOM 1536 CG ASN A 113 3.408 13.152 -2.133 1.00 0.00 C ATOM 1537 OD1 ASN A 113 3.932 13.744 -3.077 1.00 0.00 O ATOM 1538 ND2 ASN A 113 2.853 13.789 -1.108 1.00 0.00 N ATOM 0 H ASN A 113 1.152 11.778 -0.587 1.00 0.00 H new ATOM 0 HA ASN A 113 1.745 11.240 -3.436 1.00 0.00 H new ATOM 0 HB2 ASN A 113 3.694 11.294 -1.111 1.00 0.00 H new ATOM 0 HB3 ASN A 113 4.070 11.237 -2.821 1.00 0.00 H new ATOM 0 HD21 ASN A 113 2.850 14.809 -1.082 1.00 0.00 H new ATOM 0 HD22 ASN A 113 2.430 13.258 -0.347 1.00 0.00 H new ATOM 1545 N VAL A 114 2.031 8.779 -3.129 1.00 0.00 N ATOM 1546 CA VAL A 114 2.003 7.329 -2.980 1.00 0.00 C ATOM 1547 C VAL A 114 3.343 6.722 -3.386 1.00 0.00 C ATOM 1548 O VAL A 114 3.544 6.343 -4.539 1.00 0.00 O ATOM 1549 CB VAL A 114 0.874 6.701 -3.823 1.00 0.00 C ATOM 1550 CG1 VAL A 114 0.794 5.205 -3.592 1.00 0.00 C ATOM 1551 CG2 VAL A 114 -0.458 7.360 -3.500 1.00 0.00 C ATOM 0 H VAL A 114 2.135 9.102 -4.091 1.00 0.00 H new ATOM 0 HA VAL A 114 1.813 7.111 -1.929 1.00 0.00 H new ATOM 0 HB VAL A 114 1.101 6.870 -4.876 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -0.010 4.786 -4.198 1.00 0.00 H new ATOM 0 HG12 VAL A 114 1.740 4.742 -3.874 1.00 0.00 H new ATOM 0 HG13 VAL A 114 0.594 5.010 -2.538 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -1.244 6.906 -4.103 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -0.686 7.222 -2.443 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -0.400 8.426 -3.722 1.00 0.00 H new ATOM 1561 N HIS A 115 4.258 6.642 -2.424 1.00 0.00 N ATOM 1562 CA HIS A 115 5.587 6.092 -2.670 1.00 0.00 C ATOM 1563 C HIS A 115 5.506 4.668 -3.209 1.00 0.00 C ATOM 1564 O HIS A 115 6.167 4.330 -4.191 1.00 0.00 O ATOM 1565 CB HIS A 115 6.416 6.111 -1.384 1.00 0.00 C ATOM 1566 CG HIS A 115 7.859 5.771 -1.596 1.00 0.00 C ATOM 1567 ND1 HIS A 115 8.293 4.504 -1.926 1.00 0.00 N ATOM 1568 CD2 HIS A 115 8.972 6.540 -1.521 1.00 0.00 C ATOM 1569 CE1 HIS A 115 9.609 4.508 -2.044 1.00 0.00 C ATOM 1570 NE2 HIS A 115 10.045 5.730 -1.803 1.00 0.00 N ATOM 0 H HIS A 115 4.103 6.952 -1.465 1.00 0.00 H new ATOM 0 HA HIS A 115 6.071 6.716 -3.421 1.00 0.00 H new ATOM 0 HB2 HIS A 115 6.347 7.100 -0.932 1.00 0.00 H new ATOM 0 HB3 HIS A 115 5.986 5.405 -0.674 1.00 0.00 H new ATOM 0 HD2 HIS A 115 9.009 7.593 -1.284 1.00 0.00 H new ATOM 0 HE1 HIS A 115 10.223 3.656 -2.295 1.00 0.00 H new ATOM 0 HE2 HIS A 115 11.021 6.025 -1.823 1.00 0.00 H new ATOM 1579 N SER A 116 4.698 3.834 -2.562 1.00 0.00 N ATOM 1580 CA SER A 116 4.551 2.449 -2.991 1.00 0.00 C ATOM 1581 C SER A 116 3.513 1.702 -2.156 1.00 0.00 C ATOM 1582 O SER A 116 3.177 2.107 -1.042 1.00 0.00 O ATOM 1583 CB SER A 116 5.896 1.727 -2.903 1.00 0.00 C ATOM 1584 OG SER A 116 5.786 0.386 -3.351 1.00 0.00 O ATOM 0 H SER A 116 4.141 4.090 -1.747 1.00 0.00 H new ATOM 0 HA SER A 116 4.205 2.462 -4.025 1.00 0.00 H new ATOM 0 HB2 SER A 116 6.636 2.255 -3.505 1.00 0.00 H new ATOM 0 HB3 SER A 116 6.253 1.742 -1.873 1.00 0.00 H new ATOM 0 HG SER A 116 6.660 -0.053 -3.286 1.00 0.00 H new ATOM 1590 N LEU A 117 3.028 0.597 -2.713 1.00 0.00 N ATOM 1591 CA LEU A 117 2.042 -0.249 -2.050 1.00 0.00 C ATOM 1592 C LEU A 117 2.729 -1.501 -1.516 1.00 0.00 C ATOM 1593 O LEU A 117 2.807 -2.518 -2.207 1.00 0.00 O ATOM 1594 CB LEU A 117 0.945 -0.640 -3.045 1.00 0.00 C ATOM 1595 CG LEU A 117 -0.475 -0.745 -2.476 1.00 0.00 C ATOM 1596 CD1 LEU A 117 -1.498 -0.519 -3.577 1.00 0.00 C ATOM 1597 CD2 LEU A 117 -0.679 -2.110 -1.823 1.00 0.00 C ATOM 0 H LEU A 117 3.307 0.263 -3.636 1.00 0.00 H new ATOM 0 HA LEU A 117 1.591 0.297 -1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 117 0.938 0.092 -3.853 1.00 0.00 H new ATOM 0 HB3 LEU A 117 1.209 -1.601 -3.487 1.00 0.00 H new ATOM 0 HG LEU A 117 -0.611 0.025 -1.716 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -2.503 -0.596 -3.161 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -1.358 0.473 -4.006 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -1.368 -1.272 -4.354 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -1.691 -2.174 -1.422 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -0.533 -2.894 -2.566 1.00 0.00 H new ATOM 0 HD23 LEU A 117 0.040 -2.238 -1.014 1.00 0.00 H new ATOM 1609 N LYS A 118 3.252 -1.418 -0.296 1.00 0.00 N ATOM 1610 CA LYS A 118 3.956 -2.547 0.301 1.00 0.00 C ATOM 1611 C LYS A 118 3.004 -3.481 1.041 1.00 0.00 C ATOM 1612 O LYS A 118 2.215 -3.046 1.879 1.00 0.00 O ATOM 1613 CB LYS A 118 5.052 -2.054 1.248 1.00 0.00 C ATOM 1614 CG LYS A 118 4.536 -1.195 2.390 1.00 0.00 C ATOM 1615 CD LYS A 118 5.628 -0.905 3.407 1.00 0.00 C ATOM 1616 CE LYS A 118 5.445 -1.725 4.672 1.00 0.00 C ATOM 1617 NZ LYS A 118 6.742 -2.229 5.200 1.00 0.00 N ATOM 0 H LYS A 118 3.202 -0.587 0.294 1.00 0.00 H new ATOM 0 HA LYS A 118 4.413 -3.113 -0.511 1.00 0.00 H new ATOM 0 HB2 LYS A 118 5.576 -2.916 1.662 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.782 -1.481 0.676 1.00 0.00 H new ATOM 0 HG2 LYS A 118 4.148 -0.257 1.994 1.00 0.00 H new ATOM 0 HG3 LYS A 118 3.705 -1.702 2.881 1.00 0.00 H new ATOM 0 HD2 LYS A 118 6.602 -1.124 2.969 1.00 0.00 H new ATOM 0 HD3 LYS A 118 5.622 0.156 3.656 1.00 0.00 H new ATOM 0 HE2 LYS A 118 4.956 -1.116 5.432 1.00 0.00 H new ATOM 0 HE3 LYS A 118 4.785 -2.568 4.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 6.573 -2.784 6.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 7.197 -2.832 4.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 7.363 -1.425 5.421 1.00 0.00 H new ATOM 1631 N LEU A 119 3.096 -4.771 0.729 1.00 0.00 N ATOM 1632 CA LEU A 119 2.258 -5.779 1.368 1.00 0.00 C ATOM 1633 C LEU A 119 3.121 -6.747 2.171 1.00 0.00 C ATOM 1634 O LEU A 119 3.824 -7.580 1.605 1.00 0.00 O ATOM 1635 CB LEU A 119 1.452 -6.551 0.316 1.00 0.00 C ATOM 1636 CG LEU A 119 -0.057 -6.273 0.321 1.00 0.00 C ATOM 1637 CD1 LEU A 119 -0.465 -5.526 -0.940 1.00 0.00 C ATOM 1638 CD2 LEU A 119 -0.852 -7.569 0.462 1.00 0.00 C ATOM 0 H LEU A 119 3.745 -5.143 0.035 1.00 0.00 H new ATOM 0 HA LEU A 119 1.565 -5.275 2.042 1.00 0.00 H new ATOM 0 HB2 LEU A 119 1.847 -6.310 -0.671 1.00 0.00 H new ATOM 0 HB3 LEU A 119 1.610 -7.618 0.471 1.00 0.00 H new ATOM 0 HG LEU A 119 -0.284 -5.645 1.183 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -1.538 -5.337 -0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 119 0.069 -4.577 -0.990 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -0.219 -6.128 -1.815 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -1.918 -7.343 0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -0.622 -8.230 -0.374 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -0.584 -8.060 1.398 1.00 0.00 H new ATOM 1650 N GLU A 120 3.062 -6.632 3.491 1.00 0.00 N ATOM 1651 CA GLU A 120 3.843 -7.499 4.362 1.00 0.00 C ATOM 1652 C GLU A 120 3.132 -8.827 4.585 1.00 0.00 C ATOM 1653 O GLU A 120 1.909 -8.905 4.500 1.00 0.00 O ATOM 1654 CB GLU A 120 4.106 -6.805 5.700 1.00 0.00 C ATOM 1655 CG GLU A 120 5.420 -6.041 5.736 1.00 0.00 C ATOM 1656 CD GLU A 120 5.985 -5.912 7.137 1.00 0.00 C ATOM 1657 OE1 GLU A 120 5.725 -6.809 7.966 1.00 0.00 O ATOM 1658 OE2 GLU A 120 6.689 -4.915 7.404 1.00 0.00 O ATOM 0 H GLU A 120 2.483 -5.949 3.980 1.00 0.00 H new ATOM 0 HA GLU A 120 4.798 -7.702 3.877 1.00 0.00 H new ATOM 0 HB2 GLU A 120 3.288 -6.116 5.911 1.00 0.00 H new ATOM 0 HB3 GLU A 120 4.106 -7.552 6.494 1.00 0.00 H new ATOM 0 HG2 GLU A 120 6.147 -6.547 5.101 1.00 0.00 H new ATOM 0 HG3 GLU A 120 5.269 -5.046 5.317 1.00 0.00 H new ATOM 1665 N LEU A 121 3.906 -9.871 4.867 1.00 0.00 N ATOM 1666 CA LEU A 121 3.348 -11.198 5.100 1.00 0.00 C ATOM 1667 C LEU A 121 3.075 -11.422 6.586 1.00 0.00 C ATOM 1668 O LEU A 121 3.094 -12.557 7.066 1.00 0.00 O ATOM 1669 CB LEU A 121 4.305 -12.276 4.569 1.00 0.00 C ATOM 1670 CG LEU A 121 4.155 -12.638 3.083 1.00 0.00 C ATOM 1671 CD1 LEU A 121 3.299 -13.887 2.921 1.00 0.00 C ATOM 1672 CD2 LEU A 121 3.561 -11.478 2.292 1.00 0.00 C ATOM 0 H LEU A 121 4.922 -9.823 4.940 1.00 0.00 H new ATOM 0 HA LEU A 121 2.401 -11.269 4.565 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.328 -11.941 4.739 1.00 0.00 H new ATOM 0 HB3 LEU A 121 4.164 -13.182 5.159 1.00 0.00 H new ATOM 0 HG LEU A 121 5.149 -12.843 2.685 1.00 0.00 H new ATOM 0 HD11 LEU A 121 3.204 -14.128 1.862 1.00 0.00 H new ATOM 0 HD12 LEU A 121 3.770 -14.721 3.442 1.00 0.00 H new ATOM 0 HD13 LEU A 121 2.310 -13.707 3.343 1.00 0.00 H new ATOM 0 HD21 LEU A 121 3.466 -11.763 1.244 1.00 0.00 H new ATOM 0 HD22 LEU A 121 2.577 -11.231 2.691 1.00 0.00 H new ATOM 0 HD23 LEU A 121 4.214 -10.609 2.374 1.00 0.00 H new