USER MOD reduce.3.24.130724 H: found=0, std=0, add=1024, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1023 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 105 GLN : amide:sc= -8.31! C(o=-19!,f=-31!) USER MOD Set 1.2: A 107 ASN :FLIP amide:sc= -10.8! C(o=-21!,f=-19!) USER MOD Set 2.1: A 103 THR OG1 : rot -35:sc= 0.631 USER MOD Set 2.2: A 116 GLN :FLIP amide:sc= -1.29 F(o=-4.4!,f=-0.66) USER MOD Set 3.1: A 27 GLN : amide:sc= -0.628 K(o=-6.8,f=-13!) USER MOD Set 3.2: A 38 SER OG : rot -59:sc= -2.28! USER MOD Set 3.3: A 62 HIS : no HE2:sc= -3.94! C(o=-6.8!,f=-18!) USER MOD Single : A 8 GLN : amide:sc= -2.11 K(o=-2.1,f=-6.5!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -1.23 K(o=-1.2,f=-2) USER MOD Single : A 15 THR OG1 : rot -18:sc= 0.234 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 7:sc= 0.357 USER MOD Single : A 31 CYS SG : rot 180:sc= -0.0316 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.469 X(o=-0.47,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 53 GLN :FLIP amide:sc= -0.167 F(o=-1.9,f=-0.17) USER MOD Single : A 55 HIS : no HD1:sc= -9.59! C(o=-9.6!,f=-12!) USER MOD Single : A 60 TYR OH : rot 180:sc= -0.0244 USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.193 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= -0.192 USER MOD Single : A 76 GLN : amide:sc= -2.84! C(o=-2.8!,f=-3.5!) USER MOD Single : A 81 SER OG : rot 172:sc= -1.48! USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 144:sc= -1.46 (180deg=-4.14!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.473 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot -17:sc= -0.155! USER MOD Single : A 122 HIS :FLIP no HD1:sc= -1.88 F(o=-2.6!,f=-1.9) USER MOD Single : A 123 THR OG1 : rot 138:sc= 0.764 USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 GLN : amide:sc= 0.0167 X(o=0.017,f=0) USER MOD Single : A 134 CYS SG : rot 59:sc= -0.341 USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 152 HIS : no HD1:sc= -1.47 X(o=-1.5,f=-1.8) USER MOD Single : A 153 THR OG1 : rot -23:sc= 0.481 USER MOD Single : A 154 CYS SG : rot 180:sc= -0.134 USER MOD ----------------------------------------------------------------- ATOM 78 N ASP A 7 -10.223 8.176 -6.911 1.00 1.00 N ATOM 79 CA ASP A 7 -9.890 9.264 -5.991 1.00 1.00 C ATOM 80 C ASP A 7 -9.412 8.711 -4.655 1.00 1.00 C ATOM 81 O ASP A 7 -9.912 9.090 -3.595 1.00 1.00 O ATOM 82 CB ASP A 7 -11.107 10.154 -5.758 1.00 1.00 C ATOM 83 CG ASP A 7 -12.278 9.328 -5.237 1.00 1.00 C ATOM 84 OD1 ASP A 7 -12.165 8.112 -5.229 1.00 1.00 O ATOM 85 OD2 ASP A 7 -13.271 9.921 -4.848 1.00 1.00 O ATOM 0 HA ASP A 7 -9.091 9.852 -6.442 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -10.860 10.938 -5.042 1.00 1.00 H new ATOM 0 HB3 ASP A 7 -11.388 10.648 -6.688 1.00 1.00 H new ATOM 90 N GLN A 8 -8.433 7.817 -4.716 1.00 1.00 N ATOM 91 CA GLN A 8 -7.875 7.216 -3.514 1.00 1.00 C ATOM 92 C GLN A 8 -6.725 8.066 -2.979 1.00 1.00 C ATOM 93 O GLN A 8 -6.582 8.240 -1.774 1.00 1.00 O ATOM 94 CB GLN A 8 -7.358 5.812 -3.837 1.00 1.00 C ATOM 95 CG GLN A 8 -8.460 4.976 -4.491 1.00 1.00 C ATOM 96 CD GLN A 8 -9.704 4.967 -3.616 1.00 1.00 C ATOM 97 OE1 GLN A 8 -10.823 4.952 -4.124 1.00 1.00 O ATOM 98 NE2 GLN A 8 -9.572 4.990 -2.320 1.00 1.00 N ATOM 0 H GLN A 8 -8.010 7.493 -5.586 1.00 1.00 H new ATOM 0 HA GLN A 8 -8.656 7.158 -2.756 1.00 1.00 H new ATOM 0 HB2 GLN A 8 -6.499 5.878 -4.504 1.00 1.00 H new ATOM 0 HB3 GLN A 8 -7.016 5.324 -2.924 1.00 1.00 H new ATOM 0 HG2 GLN A 8 -8.701 5.383 -5.473 1.00 1.00 H new ATOM 0 HG3 GLN A 8 -8.109 3.956 -4.646 1.00 1.00 H new ATOM 0 HE21 GLN A 8 -8.642 5.002 -1.902 1.00 1.00 H new ATOM 0 HE22 GLN A 8 -10.399 4.996 -1.723 1.00 1.00 H new ATOM 107 N SER A 9 -5.898 8.575 -3.886 1.00 1.00 N ATOM 108 CA SER A 9 -4.740 9.372 -3.480 1.00 1.00 C ATOM 109 C SER A 9 -5.165 10.517 -2.567 1.00 1.00 C ATOM 110 O SER A 9 -4.545 10.754 -1.531 1.00 1.00 O ATOM 111 CB SER A 9 -4.036 9.946 -4.709 1.00 1.00 C ATOM 112 OG SER A 9 -3.155 10.985 -4.299 1.00 1.00 O ATOM 0 H SER A 9 -6.003 8.454 -4.893 1.00 1.00 H new ATOM 0 HA SER A 9 -4.056 8.719 -2.938 1.00 1.00 H new ATOM 0 HB2 SER A 9 -3.480 9.163 -5.223 1.00 1.00 H new ATOM 0 HB3 SER A 9 -4.770 10.333 -5.416 1.00 1.00 H new ATOM 0 HG SER A 9 -2.699 11.356 -5.083 1.00 1.00 H new ATOM 118 N VAL A 10 -6.230 11.213 -2.940 1.00 1.00 N ATOM 119 CA VAL A 10 -6.718 12.315 -2.126 1.00 1.00 C ATOM 120 C VAL A 10 -7.224 11.789 -0.782 1.00 1.00 C ATOM 121 O VAL A 10 -6.925 12.352 0.272 1.00 1.00 O ATOM 122 CB VAL A 10 -7.845 13.039 -2.864 1.00 1.00 C ATOM 123 CG1 VAL A 10 -7.360 13.437 -4.261 1.00 1.00 C ATOM 124 CG2 VAL A 10 -9.061 12.115 -2.989 1.00 1.00 C ATOM 0 H VAL A 10 -6.766 11.037 -3.790 1.00 1.00 H new ATOM 0 HA VAL A 10 -5.902 13.015 -1.944 1.00 1.00 H new ATOM 0 HB VAL A 10 -8.129 13.931 -2.306 1.00 1.00 H new ATOM 0 HG11 VAL A 10 -8.161 13.953 -4.791 1.00 1.00 H new ATOM 0 HG12 VAL A 10 -6.498 14.098 -4.172 1.00 1.00 H new ATOM 0 HG13 VAL A 10 -7.076 12.543 -4.816 1.00 1.00 H new ATOM 0 HG21 VAL A 10 -9.861 12.636 -3.515 1.00 1.00 H new ATOM 0 HG22 VAL A 10 -8.782 11.220 -3.546 1.00 1.00 H new ATOM 0 HG23 VAL A 10 -9.406 11.831 -1.995 1.00 1.00 H new ATOM 134 N ALA A 11 -8.012 10.721 -0.840 1.00 1.00 N ATOM 135 CA ALA A 11 -8.587 10.136 0.363 1.00 1.00 C ATOM 136 C ALA A 11 -7.538 10.010 1.459 1.00 1.00 C ATOM 137 O ALA A 11 -7.793 10.357 2.612 1.00 1.00 O ATOM 138 CB ALA A 11 -9.169 8.754 0.050 1.00 1.00 C ATOM 0 H ALA A 11 -8.266 10.245 -1.705 1.00 1.00 H new ATOM 0 HA ALA A 11 -9.382 10.794 0.714 1.00 1.00 H new ATOM 0 HB1 ALA A 11 -9.596 8.325 0.956 1.00 1.00 H new ATOM 0 HB2 ALA A 11 -9.947 8.850 -0.708 1.00 1.00 H new ATOM 0 HB3 ALA A 11 -8.379 8.102 -0.322 1.00 1.00 H new ATOM 144 N ILE A 12 -6.362 9.507 1.103 1.00 1.00 N ATOM 145 CA ILE A 12 -5.301 9.345 2.083 1.00 1.00 C ATOM 146 C ILE A 12 -4.831 10.704 2.598 1.00 1.00 C ATOM 147 O ILE A 12 -4.666 10.908 3.802 1.00 1.00 O ATOM 148 CB ILE A 12 -4.126 8.595 1.452 1.00 1.00 C ATOM 149 CG1 ILE A 12 -4.631 7.283 0.824 1.00 1.00 C ATOM 150 CG2 ILE A 12 -3.057 8.296 2.516 1.00 1.00 C ATOM 151 CD1 ILE A 12 -5.361 6.421 1.860 1.00 1.00 C ATOM 0 H ILE A 12 -6.123 9.209 0.157 1.00 1.00 H new ATOM 0 HA ILE A 12 -5.689 8.771 2.925 1.00 1.00 H new ATOM 0 HB ILE A 12 -3.679 9.216 0.675 1.00 1.00 H new ATOM 0 HG12 ILE A 12 -5.302 7.508 -0.005 1.00 1.00 H new ATOM 0 HG13 ILE A 12 -3.790 6.726 0.411 1.00 1.00 H new ATOM 0 HG21 ILE A 12 -2.225 7.762 2.056 1.00 1.00 H new ATOM 0 HG22 ILE A 12 -2.696 9.232 2.942 1.00 1.00 H new ATOM 0 HG23 ILE A 12 -3.491 7.682 3.305 1.00 1.00 H new ATOM 0 HD11 ILE A 12 -5.707 5.501 1.389 1.00 1.00 H new ATOM 0 HD12 ILE A 12 -4.680 6.178 2.676 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -6.216 6.971 2.253 1.00 1.00 H new ATOM 163 N GLN A 13 -4.576 11.613 1.665 1.00 1.00 N ATOM 164 CA GLN A 13 -4.082 12.928 2.019 1.00 1.00 C ATOM 165 C GLN A 13 -4.919 13.528 3.146 1.00 1.00 C ATOM 166 O GLN A 13 -4.374 14.059 4.114 1.00 1.00 O ATOM 167 CB GLN A 13 -4.108 13.854 0.797 1.00 1.00 C ATOM 168 CG GLN A 13 -3.058 14.956 0.967 1.00 1.00 C ATOM 169 CD GLN A 13 -1.669 14.398 0.653 1.00 1.00 C ATOM 170 OE1 GLN A 13 -1.435 13.918 -0.456 1.00 1.00 O ATOM 171 NE2 GLN A 13 -0.730 14.433 1.560 1.00 1.00 N ATOM 0 H GLN A 13 -4.704 11.461 0.665 1.00 1.00 H new ATOM 0 HA GLN A 13 -3.053 12.827 2.363 1.00 1.00 H new ATOM 0 HB2 GLN A 13 -3.907 13.283 -0.109 1.00 1.00 H new ATOM 0 HB3 GLN A 13 -5.098 14.295 0.683 1.00 1.00 H new ATOM 0 HG2 GLN A 13 -3.283 15.791 0.304 1.00 1.00 H new ATOM 0 HG3 GLN A 13 -3.084 15.342 1.986 1.00 1.00 H new ATOM 0 HE21 GLN A 13 -0.923 14.831 2.479 1.00 1.00 H new ATOM 0 HE22 GLN A 13 0.197 14.063 1.349 1.00 1.00 H new ATOM 180 N GLU A 14 -6.242 13.451 3.021 1.00 1.00 N ATOM 181 CA GLU A 14 -7.121 14.002 4.040 1.00 1.00 C ATOM 182 C GLU A 14 -6.956 13.244 5.358 1.00 1.00 C ATOM 183 O GLU A 14 -6.871 13.847 6.429 1.00 1.00 O ATOM 184 CB GLU A 14 -8.569 13.884 3.560 1.00 1.00 C ATOM 185 CG GLU A 14 -8.783 14.791 2.344 1.00 1.00 C ATOM 186 CD GLU A 14 -10.183 14.579 1.777 1.00 1.00 C ATOM 187 OE1 GLU A 14 -10.904 13.758 2.319 1.00 1.00 O ATOM 188 OE2 GLU A 14 -10.513 15.238 0.804 1.00 1.00 O ATOM 0 H GLU A 14 -6.721 13.017 2.232 1.00 1.00 H new ATOM 0 HA GLU A 14 -6.864 15.048 4.208 1.00 1.00 H new ATOM 0 HB2 GLU A 14 -8.793 12.850 3.299 1.00 1.00 H new ATOM 0 HB3 GLU A 14 -9.252 14.166 4.361 1.00 1.00 H new ATOM 0 HG2 GLU A 14 -8.652 15.834 2.630 1.00 1.00 H new ATOM 0 HG3 GLU A 14 -8.036 14.573 1.581 1.00 1.00 H new ATOM 195 N THR A 15 -6.923 11.921 5.263 1.00 1.00 N ATOM 196 CA THR A 15 -6.782 11.068 6.442 1.00 1.00 C ATOM 197 C THR A 15 -5.395 11.195 7.067 1.00 1.00 C ATOM 198 O THR A 15 -5.236 11.013 8.274 1.00 1.00 O ATOM 199 CB THR A 15 -7.015 9.602 6.070 1.00 1.00 C ATOM 200 OG1 THR A 15 -6.010 9.187 5.160 1.00 1.00 O ATOM 201 CG2 THR A 15 -8.393 9.429 5.419 1.00 1.00 C ATOM 0 H THR A 15 -6.992 11.412 4.382 1.00 1.00 H new ATOM 0 HA THR A 15 -7.528 11.397 7.165 1.00 1.00 H new ATOM 0 HB THR A 15 -6.974 8.995 6.974 1.00 1.00 H new ATOM 0 HG1 THR A 15 -5.586 9.975 4.759 1.00 1.00 H new ATOM 0 HG21 THR A 15 -8.544 8.381 5.160 1.00 1.00 H new ATOM 0 HG22 THR A 15 -9.168 9.746 6.117 1.00 1.00 H new ATOM 0 HG23 THR A 15 -8.448 10.037 4.516 1.00 1.00 H new ATOM 209 N LEU A 16 -4.388 11.468 6.244 1.00 1.00 N ATOM 210 CA LEU A 16 -3.026 11.567 6.752 1.00 1.00 C ATOM 211 C LEU A 16 -2.926 12.668 7.807 1.00 1.00 C ATOM 212 O LEU A 16 -3.611 12.625 8.827 1.00 1.00 O ATOM 213 CB LEU A 16 -2.048 11.836 5.589 1.00 1.00 C ATOM 214 CG LEU A 16 -0.580 11.617 6.022 1.00 1.00 C ATOM 215 CD1 LEU A 16 -0.370 10.182 6.550 1.00 1.00 C ATOM 216 CD2 LEU A 16 0.328 11.850 4.808 1.00 1.00 C ATOM 0 H LEU A 16 -4.486 11.622 5.240 1.00 1.00 H new ATOM 0 HA LEU A 16 -2.757 10.622 7.223 1.00 1.00 H new ATOM 0 HB2 LEU A 16 -2.284 11.177 4.754 1.00 1.00 H new ATOM 0 HB3 LEU A 16 -2.175 12.859 5.234 1.00 1.00 H new ATOM 0 HG LEU A 16 -0.337 12.315 6.823 1.00 1.00 H new ATOM 0 HD11 LEU A 16 0.670 10.053 6.848 1.00 1.00 H new ATOM 0 HD12 LEU A 16 -1.018 10.012 7.410 1.00 1.00 H new ATOM 0 HD13 LEU A 16 -0.614 9.466 5.765 1.00 1.00 H new ATOM 0 HD21 LEU A 16 1.368 11.699 5.097 1.00 1.00 H new ATOM 0 HD22 LEU A 16 0.066 11.147 4.017 1.00 1.00 H new ATOM 0 HD23 LEU A 16 0.196 12.870 4.446 1.00 1.00 H new ATOM 228 N VAL A 17 -2.086 13.660 7.549 1.00 1.00 N ATOM 229 CA VAL A 17 -1.915 14.771 8.468 1.00 1.00 C ATOM 230 C VAL A 17 -1.085 15.853 7.794 1.00 1.00 C ATOM 231 O VAL A 17 -0.248 15.558 6.941 1.00 1.00 O ATOM 232 CB VAL A 17 -1.239 14.309 9.767 1.00 1.00 C ATOM 233 CG1 VAL A 17 0.091 13.609 9.455 1.00 1.00 C ATOM 234 CG2 VAL A 17 -0.984 15.525 10.664 1.00 1.00 C ATOM 0 H VAL A 17 -1.512 13.716 6.708 1.00 1.00 H new ATOM 0 HA VAL A 17 -2.895 15.171 8.728 1.00 1.00 H new ATOM 0 HB VAL A 17 -1.894 13.604 10.279 1.00 1.00 H new ATOM 0 HG11 VAL A 17 0.559 13.287 10.385 1.00 1.00 H new ATOM 0 HG12 VAL A 17 -0.094 12.741 8.822 1.00 1.00 H new ATOM 0 HG13 VAL A 17 0.754 14.302 8.936 1.00 1.00 H new ATOM 0 HG21 VAL A 17 -0.504 15.202 11.588 1.00 1.00 H new ATOM 0 HG22 VAL A 17 -0.334 16.230 10.145 1.00 1.00 H new ATOM 0 HG23 VAL A 17 -1.932 16.010 10.898 1.00 1.00 H new ATOM 244 N GLU A 18 -1.329 17.101 8.152 1.00 1.00 N ATOM 245 CA GLU A 18 -0.608 18.213 7.551 1.00 1.00 C ATOM 246 C GLU A 18 0.870 18.218 7.945 1.00 1.00 C ATOM 247 O GLU A 18 1.216 18.443 9.103 1.00 1.00 O ATOM 248 CB GLU A 18 -1.260 19.526 7.993 1.00 1.00 C ATOM 249 CG GLU A 18 -1.289 19.608 9.534 1.00 1.00 C ATOM 250 CD GLU A 18 -2.416 20.528 9.994 1.00 1.00 C ATOM 251 OE1 GLU A 18 -3.563 20.134 9.868 1.00 1.00 O ATOM 252 OE2 GLU A 18 -2.113 21.609 10.471 1.00 1.00 O ATOM 0 H GLU A 18 -2.018 17.371 8.854 1.00 1.00 H new ATOM 0 HA GLU A 18 -0.659 18.104 6.468 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -0.706 20.372 7.586 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -2.274 19.589 7.598 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -1.428 18.612 9.955 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -0.333 19.980 9.903 1.00 1.00 H new ATOM 259 N GLY A 19 1.738 17.981 6.960 1.00 1.00 N ATOM 260 CA GLY A 19 3.183 17.977 7.203 1.00 1.00 C ATOM 261 C GLY A 19 3.900 16.918 6.369 1.00 1.00 C ATOM 262 O GLY A 19 5.099 17.033 6.108 1.00 1.00 O ATOM 0 H GLY A 19 1.470 17.791 5.994 1.00 1.00 H new ATOM 0 HA2 GLY A 19 3.592 18.960 6.971 1.00 1.00 H new ATOM 0 HA3 GLY A 19 3.372 17.795 8.261 1.00 1.00 H new ATOM 266 N GLU A 20 3.167 15.887 5.952 1.00 1.00 N ATOM 267 CA GLU A 20 3.754 14.808 5.146 1.00 1.00 C ATOM 268 C GLU A 20 3.373 14.947 3.678 1.00 1.00 C ATOM 269 O GLU A 20 2.771 15.938 3.267 1.00 1.00 O ATOM 270 CB GLU A 20 3.317 13.443 5.678 1.00 1.00 C ATOM 271 CG GLU A 20 4.043 13.151 6.993 1.00 1.00 C ATOM 272 CD GLU A 20 3.571 11.820 7.566 1.00 1.00 C ATOM 273 OE1 GLU A 20 2.683 11.226 6.978 1.00 1.00 O ATOM 274 OE2 GLU A 20 4.108 11.411 8.582 1.00 1.00 O ATOM 0 H GLU A 20 2.174 15.772 6.154 1.00 1.00 H new ATOM 0 HA GLU A 20 4.838 14.886 5.224 1.00 1.00 H new ATOM 0 HB2 GLU A 20 2.238 13.431 5.835 1.00 1.00 H new ATOM 0 HB3 GLU A 20 3.541 12.667 4.946 1.00 1.00 H new ATOM 0 HG2 GLU A 20 5.120 13.122 6.825 1.00 1.00 H new ATOM 0 HG3 GLU A 20 3.853 13.952 7.708 1.00 1.00 H new ATOM 281 N TYR A 21 3.764 13.948 2.887 1.00 1.00 N ATOM 282 CA TYR A 21 3.500 13.957 1.449 1.00 1.00 C ATOM 283 C TYR A 21 3.074 12.582 0.962 1.00 1.00 C ATOM 284 O TYR A 21 3.831 11.619 1.065 1.00 1.00 O ATOM 285 CB TYR A 21 4.781 14.370 0.723 1.00 1.00 C ATOM 286 CG TYR A 21 4.497 14.627 -0.735 1.00 1.00 C ATOM 287 CD1 TYR A 21 3.961 15.856 -1.137 1.00 1.00 C ATOM 288 CD2 TYR A 21 4.776 13.639 -1.684 1.00 1.00 C ATOM 289 CE1 TYR A 21 3.704 16.096 -2.492 1.00 1.00 C ATOM 290 CE2 TYR A 21 4.521 13.879 -3.038 1.00 1.00 C ATOM 291 CZ TYR A 21 3.984 15.107 -3.442 1.00 1.00 C ATOM 292 OH TYR A 21 3.731 15.343 -4.778 1.00 1.00 O ATOM 0 H TYR A 21 4.264 13.123 3.218 1.00 1.00 H new ATOM 0 HA TYR A 21 2.692 14.659 1.243 1.00 1.00 H new ATOM 0 HB2 TYR A 21 5.195 15.267 1.183 1.00 1.00 H new ATOM 0 HB3 TYR A 21 5.532 13.586 0.821 1.00 1.00 H new ATOM 0 HD1 TYR A 21 3.746 16.618 -0.403 1.00 1.00 H new ATOM 0 HD2 TYR A 21 5.188 12.691 -1.372 1.00 1.00 H new ATOM 0 HE1 TYR A 21 3.290 17.043 -2.804 1.00 1.00 H new ATOM 0 HE2 TYR A 21 4.738 13.117 -3.772 1.00 1.00 H new ATOM 0 HH TYR A 21 3.983 14.555 -5.303 1.00 1.00 H new ATOM 302 N CYS A 22 1.884 12.505 0.373 1.00 1.00 N ATOM 303 CA CYS A 22 1.396 11.247 -0.181 1.00 1.00 C ATOM 304 C CYS A 22 1.824 11.180 -1.637 1.00 1.00 C ATOM 305 O CYS A 22 1.794 12.191 -2.341 1.00 1.00 O ATOM 306 CB CYS A 22 -0.128 11.152 -0.064 1.00 1.00 C ATOM 307 SG CYS A 22 -0.635 9.422 -0.238 1.00 1.00 S ATOM 0 H CYS A 22 1.244 13.293 0.268 1.00 1.00 H new ATOM 0 HA CYS A 22 1.816 10.409 0.376 1.00 1.00 H new ATOM 0 HB2 CYS A 22 -0.455 11.544 0.899 1.00 1.00 H new ATOM 0 HB3 CYS A 22 -0.602 11.761 -0.834 1.00 1.00 H new ATOM 0 HG CYS A 22 0.420 8.663 -0.281 1.00 1.00 H new ATOM 313 N VAL A 23 2.235 10.006 -2.094 1.00 1.00 N ATOM 314 CA VAL A 23 2.685 9.841 -3.484 1.00 1.00 C ATOM 315 C VAL A 23 1.658 9.097 -4.330 1.00 1.00 C ATOM 316 O VAL A 23 1.363 9.496 -5.458 1.00 1.00 O ATOM 317 CB VAL A 23 3.988 9.041 -3.489 1.00 1.00 C ATOM 318 CG1 VAL A 23 4.486 8.851 -4.925 1.00 1.00 C ATOM 319 CG2 VAL A 23 5.041 9.794 -2.674 1.00 1.00 C ATOM 0 H VAL A 23 2.269 9.154 -1.534 1.00 1.00 H new ATOM 0 HA VAL A 23 2.826 10.834 -3.912 1.00 1.00 H new ATOM 0 HB VAL A 23 3.811 8.060 -3.047 1.00 1.00 H new ATOM 0 HG11 VAL A 23 5.414 8.280 -4.916 1.00 1.00 H new ATOM 0 HG12 VAL A 23 3.735 8.312 -5.502 1.00 1.00 H new ATOM 0 HG13 VAL A 23 4.664 9.825 -5.380 1.00 1.00 H new ATOM 0 HG21 VAL A 23 5.973 9.229 -2.673 1.00 1.00 H new ATOM 0 HG22 VAL A 23 5.212 10.775 -3.118 1.00 1.00 H new ATOM 0 HG23 VAL A 23 4.690 9.915 -1.649 1.00 1.00 H new ATOM 329 N ILE A 24 1.139 8.000 -3.796 1.00 1.00 N ATOM 330 CA ILE A 24 0.175 7.200 -4.535 1.00 1.00 C ATOM 331 C ILE A 24 -0.520 6.203 -3.612 1.00 1.00 C ATOM 332 O ILE A 24 0.044 5.763 -2.614 1.00 1.00 O ATOM 333 CB ILE A 24 0.912 6.478 -5.676 1.00 1.00 C ATOM 334 CG1 ILE A 24 -0.052 5.608 -6.494 1.00 1.00 C ATOM 335 CG2 ILE A 24 2.019 5.602 -5.094 1.00 1.00 C ATOM 336 CD1 ILE A 24 -1.106 6.484 -7.181 1.00 1.00 C ATOM 0 H ILE A 24 1.366 7.648 -2.866 1.00 1.00 H new ATOM 0 HA ILE A 24 -0.598 7.845 -4.953 1.00 1.00 H new ATOM 0 HB ILE A 24 1.341 7.231 -6.338 1.00 1.00 H new ATOM 0 HG12 ILE A 24 0.504 5.042 -7.242 1.00 1.00 H new ATOM 0 HG13 ILE A 24 -0.540 4.883 -5.843 1.00 1.00 H new ATOM 0 HG21 ILE A 24 2.541 5.090 -5.903 1.00 1.00 H new ATOM 0 HG22 ILE A 24 2.724 6.225 -4.543 1.00 1.00 H new ATOM 0 HG23 ILE A 24 1.583 4.865 -4.420 1.00 1.00 H new ATOM 0 HD11 ILE A 24 -1.783 5.854 -7.758 1.00 1.00 H new ATOM 0 HD12 ILE A 24 -1.673 7.030 -6.427 1.00 1.00 H new ATOM 0 HD13 ILE A 24 -0.613 7.192 -7.847 1.00 1.00 H new ATOM 348 N ALA A 25 -1.753 5.860 -3.955 1.00 1.00 N ATOM 349 CA ALA A 25 -2.534 4.920 -3.161 1.00 1.00 C ATOM 350 C ALA A 25 -3.604 4.291 -4.028 1.00 1.00 C ATOM 351 O ALA A 25 -4.483 4.981 -4.522 1.00 1.00 O ATOM 352 CB ALA A 25 -3.206 5.648 -1.997 1.00 1.00 C ATOM 0 H ALA A 25 -2.236 6.219 -4.779 1.00 1.00 H new ATOM 0 HA ALA A 25 -1.868 4.150 -2.773 1.00 1.00 H new ATOM 0 HB1 ALA A 25 -3.787 4.937 -1.410 1.00 1.00 H new ATOM 0 HB2 ALA A 25 -2.444 6.104 -1.365 1.00 1.00 H new ATOM 0 HB3 ALA A 25 -3.867 6.423 -2.385 1.00 1.00 H new ATOM 358 N VAL A 26 -3.507 2.985 -4.242 1.00 1.00 N ATOM 359 CA VAL A 26 -4.468 2.278 -5.080 1.00 1.00 C ATOM 360 C VAL A 26 -5.096 1.144 -4.291 1.00 1.00 C ATOM 361 O VAL A 26 -4.415 0.209 -3.868 1.00 1.00 O ATOM 362 CB VAL A 26 -3.761 1.727 -6.330 1.00 1.00 C ATOM 363 CG1 VAL A 26 -2.927 2.840 -6.988 1.00 1.00 C ATOM 364 CG2 VAL A 26 -2.843 0.549 -5.943 1.00 1.00 C ATOM 0 H VAL A 26 -2.774 2.395 -3.848 1.00 1.00 H new ATOM 0 HA VAL A 26 -5.252 2.968 -5.394 1.00 1.00 H new ATOM 0 HB VAL A 26 -4.513 1.374 -7.036 1.00 1.00 H new ATOM 0 HG11 VAL A 26 -2.428 2.446 -7.873 1.00 1.00 H new ATOM 0 HG12 VAL A 26 -3.581 3.663 -7.277 1.00 1.00 H new ATOM 0 HG13 VAL A 26 -2.180 3.201 -6.281 1.00 1.00 H new ATOM 0 HG21 VAL A 26 -2.347 0.166 -6.835 1.00 1.00 H new ATOM 0 HG22 VAL A 26 -2.093 0.891 -5.230 1.00 1.00 H new ATOM 0 HG23 VAL A 26 -3.439 -0.244 -5.491 1.00 1.00 H new ATOM 374 N GLN A 27 -6.393 1.244 -4.070 1.00 1.00 N ATOM 375 CA GLN A 27 -7.103 0.234 -3.310 1.00 1.00 C ATOM 376 C GLN A 27 -6.962 -1.131 -3.969 1.00 1.00 C ATOM 377 O GLN A 27 -6.618 -1.233 -5.145 1.00 1.00 O ATOM 378 CB GLN A 27 -8.579 0.623 -3.215 1.00 1.00 C ATOM 379 CG GLN A 27 -9.342 -0.429 -2.411 1.00 1.00 C ATOM 380 CD GLN A 27 -10.723 0.092 -2.042 1.00 1.00 C ATOM 381 OE1 GLN A 27 -10.995 1.286 -2.172 1.00 1.00 O ATOM 382 NE2 GLN A 27 -11.615 -0.738 -1.575 1.00 1.00 N ATOM 0 H GLN A 27 -6.975 2.012 -4.405 1.00 1.00 H new ATOM 0 HA GLN A 27 -6.675 0.173 -2.309 1.00 1.00 H new ATOM 0 HB2 GLN A 27 -8.677 1.599 -2.739 1.00 1.00 H new ATOM 0 HB3 GLN A 27 -9.006 0.711 -4.214 1.00 1.00 H new ATOM 0 HG2 GLN A 27 -9.435 -1.346 -2.993 1.00 1.00 H new ATOM 0 HG3 GLN A 27 -8.787 -0.680 -1.507 1.00 1.00 H new ATOM 0 HE21 GLN A 27 -11.386 -1.726 -1.469 1.00 1.00 H new ATOM 0 HE22 GLN A 27 -12.541 -0.399 -1.316 1.00 1.00 H new ATOM 391 N GLY A 28 -7.231 -2.178 -3.196 1.00 1.00 N ATOM 392 CA GLY A 28 -7.135 -3.537 -3.704 1.00 1.00 C ATOM 393 C GLY A 28 -8.129 -4.447 -3.004 1.00 1.00 C ATOM 394 O GLY A 28 -8.982 -3.996 -2.240 1.00 1.00 O ATOM 0 H GLY A 28 -7.516 -2.110 -2.219 1.00 1.00 H new ATOM 0 HA2 GLY A 28 -7.324 -3.543 -4.778 1.00 1.00 H new ATOM 0 HA3 GLY A 28 -6.123 -3.914 -3.556 1.00 1.00 H new ATOM 398 N VAL A 29 -7.994 -5.740 -3.263 1.00 1.00 N ATOM 399 CA VAL A 29 -8.857 -6.740 -2.651 1.00 1.00 C ATOM 400 C VAL A 29 -8.000 -7.858 -2.094 1.00 1.00 C ATOM 401 O VAL A 29 -6.875 -8.050 -2.522 1.00 1.00 O ATOM 402 CB VAL A 29 -9.844 -7.299 -3.686 1.00 1.00 C ATOM 403 CG1 VAL A 29 -10.582 -8.511 -3.105 1.00 1.00 C ATOM 404 CG2 VAL A 29 -10.860 -6.217 -4.052 1.00 1.00 C ATOM 0 H VAL A 29 -7.291 -6.122 -3.896 1.00 1.00 H new ATOM 0 HA VAL A 29 -9.429 -6.280 -1.845 1.00 1.00 H new ATOM 0 HB VAL A 29 -9.294 -7.607 -4.575 1.00 1.00 H new ATOM 0 HG11 VAL A 29 -11.280 -8.901 -3.846 1.00 1.00 H new ATOM 0 HG12 VAL A 29 -9.861 -9.285 -2.843 1.00 1.00 H new ATOM 0 HG13 VAL A 29 -11.131 -8.209 -2.213 1.00 1.00 H new ATOM 0 HG21 VAL A 29 -11.562 -6.611 -4.787 1.00 1.00 H new ATOM 0 HG22 VAL A 29 -11.404 -5.911 -3.158 1.00 1.00 H new ATOM 0 HG23 VAL A 29 -10.340 -5.356 -4.472 1.00 1.00 H new ATOM 414 N LEU A 30 -8.561 -8.618 -1.179 1.00 1.00 N ATOM 415 CA LEU A 30 -7.869 -9.758 -0.594 1.00 1.00 C ATOM 416 C LEU A 30 -8.895 -10.843 -0.400 1.00 1.00 C ATOM 417 O LEU A 30 -9.909 -10.622 0.262 1.00 1.00 O ATOM 418 CB LEU A 30 -7.243 -9.373 0.752 1.00 1.00 C ATOM 419 CG LEU A 30 -6.238 -10.458 1.228 1.00 1.00 C ATOM 420 CD1 LEU A 30 -5.110 -9.802 2.036 1.00 1.00 C ATOM 421 CD2 LEU A 30 -6.952 -11.501 2.105 1.00 1.00 C ATOM 0 H LEU A 30 -9.503 -8.469 -0.818 1.00 1.00 H new ATOM 0 HA LEU A 30 -7.063 -10.096 -1.245 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -6.732 -8.415 0.659 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -8.027 -9.245 1.499 1.00 1.00 H new ATOM 0 HG LEU A 30 -5.821 -10.955 0.352 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -4.408 -10.567 2.368 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -4.589 -9.077 1.411 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -5.531 -9.295 2.904 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -6.235 -12.255 2.431 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -7.383 -11.009 2.977 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -7.745 -11.979 1.529 1.00 1.00 H new ATOM 433 N CYS A 31 -8.667 -12.008 -0.995 1.00 1.00 N ATOM 434 CA CYS A 31 -9.619 -13.101 -0.888 1.00 1.00 C ATOM 435 C CYS A 31 -9.013 -14.276 -0.152 1.00 1.00 C ATOM 436 O CYS A 31 -7.843 -14.616 -0.336 1.00 1.00 O ATOM 437 CB CYS A 31 -10.026 -13.558 -2.290 1.00 1.00 C ATOM 438 SG CYS A 31 -11.059 -12.290 -3.065 1.00 1.00 S ATOM 0 H CYS A 31 -7.838 -12.217 -1.551 1.00 1.00 H new ATOM 0 HA CYS A 31 -10.488 -12.745 -0.334 1.00 1.00 H new ATOM 0 HB2 CYS A 31 -9.139 -13.739 -2.896 1.00 1.00 H new ATOM 0 HB3 CYS A 31 -10.571 -14.500 -2.233 1.00 1.00 H new ATOM 0 HG CYS A 31 -11.402 -12.679 -4.257 1.00 1.00 H new ATOM 444 N LYS A 32 -9.845 -14.922 0.638 1.00 1.00 N ATOM 445 CA LYS A 32 -9.442 -16.115 1.368 1.00 1.00 C ATOM 446 C LYS A 32 -10.578 -17.115 1.321 1.00 1.00 C ATOM 447 O LYS A 32 -11.740 -16.734 1.436 1.00 1.00 O ATOM 448 CB LYS A 32 -9.090 -15.784 2.824 1.00 1.00 C ATOM 449 CG LYS A 32 -8.861 -17.092 3.600 1.00 1.00 C ATOM 450 CD LYS A 32 -8.024 -16.815 4.851 1.00 1.00 C ATOM 451 CE LYS A 32 -8.670 -15.696 5.669 1.00 1.00 C ATOM 452 NZ LYS A 32 -8.139 -15.736 7.060 1.00 1.00 N ATOM 0 H LYS A 32 -10.813 -14.641 0.794 1.00 1.00 H new ATOM 0 HA LYS A 32 -8.550 -16.534 0.902 1.00 1.00 H new ATOM 0 HB2 LYS A 32 -8.195 -15.163 2.862 1.00 1.00 H new ATOM 0 HB3 LYS A 32 -9.895 -15.211 3.284 1.00 1.00 H new ATOM 0 HG2 LYS A 32 -9.818 -17.530 3.882 1.00 1.00 H new ATOM 0 HG3 LYS A 32 -8.353 -17.818 2.965 1.00 1.00 H new ATOM 0 HD2 LYS A 32 -7.944 -17.719 5.454 1.00 1.00 H new ATOM 0 HD3 LYS A 32 -7.011 -16.532 4.566 1.00 1.00 H new ATOM 0 HE2 LYS A 32 -8.459 -14.728 5.214 1.00 1.00 H new ATOM 0 HE3 LYS A 32 -9.754 -15.814 5.677 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 -8.576 -14.976 7.620 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 -8.362 -16.656 7.491 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 -7.108 -15.604 7.042 1.00 1.00 H new ATOM 466 N GLY A 33 -10.238 -18.387 1.115 1.00 1.00 N ATOM 467 CA GLY A 33 -11.240 -19.446 1.024 1.00 1.00 C ATOM 468 C GLY A 33 -12.101 -19.534 2.285 1.00 1.00 C ATOM 469 O GLY A 33 -12.367 -20.622 2.797 1.00 1.00 O ATOM 0 H GLY A 33 -9.276 -18.708 1.008 1.00 1.00 H new ATOM 0 HA2 GLY A 33 -11.880 -19.265 0.160 1.00 1.00 H new ATOM 0 HA3 GLY A 33 -10.743 -20.402 0.858 1.00 1.00 H new ATOM 473 N ASP A 34 -12.542 -18.378 2.765 1.00 1.00 N ATOM 474 CA ASP A 34 -13.385 -18.289 3.950 1.00 1.00 C ATOM 475 C ASP A 34 -14.395 -17.157 3.758 1.00 1.00 C ATOM 476 O ASP A 34 -15.605 -17.384 3.740 1.00 1.00 O ATOM 477 CB ASP A 34 -12.524 -18.008 5.183 1.00 1.00 C ATOM 478 CG ASP A 34 -13.394 -18.019 6.437 1.00 1.00 C ATOM 479 OD1 ASP A 34 -14.586 -18.229 6.303 1.00 1.00 O ATOM 480 OD2 ASP A 34 -12.853 -17.810 7.511 1.00 1.00 O ATOM 0 H ASP A 34 -12.325 -17.475 2.343 1.00 1.00 H new ATOM 0 HA ASP A 34 -13.911 -19.233 4.095 1.00 1.00 H new ATOM 0 HB2 ASP A 34 -11.739 -18.759 5.268 1.00 1.00 H new ATOM 0 HB3 ASP A 34 -12.031 -17.041 5.080 1.00 1.00 H new ATOM 485 N SER A 35 -13.879 -15.939 3.600 1.00 1.00 N ATOM 486 CA SER A 35 -14.722 -14.762 3.390 1.00 1.00 C ATOM 487 C SER A 35 -13.938 -13.690 2.637 1.00 1.00 C ATOM 488 O SER A 35 -12.717 -13.611 2.760 1.00 1.00 O ATOM 489 CB SER A 35 -15.170 -14.205 4.735 1.00 1.00 C ATOM 490 OG SER A 35 -16.107 -13.155 4.523 1.00 1.00 O ATOM 0 H SER A 35 -12.879 -15.741 3.613 1.00 1.00 H new ATOM 0 HA SER A 35 -15.595 -15.051 2.805 1.00 1.00 H new ATOM 0 HB2 SER A 35 -15.621 -14.994 5.336 1.00 1.00 H new ATOM 0 HB3 SER A 35 -14.310 -13.833 5.292 1.00 1.00 H new ATOM 0 HG SER A 35 -16.398 -12.797 5.387 1.00 1.00 H new ATOM 496 N ARG A 36 -14.636 -12.871 1.855 1.00 1.00 N ATOM 497 CA ARG A 36 -13.967 -11.823 1.092 1.00 1.00 C ATOM 498 C ARG A 36 -13.525 -10.688 2.005 1.00 1.00 C ATOM 499 O ARG A 36 -14.211 -10.343 2.968 1.00 1.00 O ATOM 500 CB ARG A 36 -14.908 -11.278 0.012 1.00 1.00 C ATOM 501 CG ARG A 36 -15.375 -12.415 -0.908 1.00 1.00 C ATOM 502 CD ARG A 36 -14.285 -12.763 -1.927 1.00 1.00 C ATOM 503 NE ARG A 36 -14.786 -13.766 -2.864 1.00 1.00 N ATOM 504 CZ ARG A 36 -14.655 -15.069 -2.620 1.00 1.00 C ATOM 505 NH1 ARG A 36 -14.078 -15.475 -1.521 1.00 1.00 N ATOM 506 NH2 ARG A 36 -15.112 -15.939 -3.477 1.00 1.00 N ATOM 0 H ARG A 36 -15.648 -12.911 1.734 1.00 1.00 H new ATOM 0 HA ARG A 36 -13.084 -12.255 0.620 1.00 1.00 H new ATOM 0 HB2 ARG A 36 -15.770 -10.800 0.478 1.00 1.00 H new ATOM 0 HB3 ARG A 36 -14.397 -10.513 -0.573 1.00 1.00 H new ATOM 0 HG2 ARG A 36 -15.619 -13.295 -0.313 1.00 1.00 H new ATOM 0 HG3 ARG A 36 -16.286 -12.119 -1.428 1.00 1.00 H new ATOM 0 HD2 ARG A 36 -13.980 -11.867 -2.468 1.00 1.00 H new ATOM 0 HD3 ARG A 36 -13.401 -13.141 -1.413 1.00 1.00 H new ATOM 0 HE ARG A 36 -15.245 -13.462 -3.723 1.00 1.00 H new ATOM 0 HH11 ARG A 36 -13.727 -14.794 -0.848 1.00 1.00 H new ATOM 0 HH12 ARG A 36 -13.979 -16.473 -1.336 1.00 1.00 H new ATOM 0 HH21 ARG A 36 -15.569 -15.621 -4.332 1.00 1.00 H new ATOM 0 HH22 ARG A 36 -15.013 -16.937 -3.292 1.00 1.00 H new ATOM 520 N GLN A 37 -12.364 -10.116 1.693 1.00 1.00 N ATOM 521 CA GLN A 37 -11.804 -9.023 2.482 1.00 1.00 C ATOM 522 C GLN A 37 -11.357 -7.886 1.572 1.00 1.00 C ATOM 523 O GLN A 37 -10.695 -8.111 0.560 1.00 1.00 O ATOM 524 CB GLN A 37 -10.610 -9.547 3.281 1.00 1.00 C ATOM 525 CG GLN A 37 -11.103 -10.571 4.303 1.00 1.00 C ATOM 526 CD GLN A 37 -9.917 -11.308 4.911 1.00 1.00 C ATOM 527 OE1 GLN A 37 -9.387 -10.898 5.945 1.00 1.00 O ATOM 528 NE2 GLN A 37 -9.465 -12.380 4.319 1.00 1.00 N ATOM 0 H GLN A 37 -11.791 -10.393 0.896 1.00 1.00 H new ATOM 0 HA GLN A 37 -12.566 -8.642 3.161 1.00 1.00 H new ATOM 0 HB2 GLN A 37 -9.881 -10.004 2.612 1.00 1.00 H new ATOM 0 HB3 GLN A 37 -10.106 -8.724 3.787 1.00 1.00 H new ATOM 0 HG2 GLN A 37 -11.672 -10.071 5.087 1.00 1.00 H new ATOM 0 HG3 GLN A 37 -11.777 -11.281 3.824 1.00 1.00 H new ATOM 0 HE21 GLN A 37 -9.908 -12.715 3.463 1.00 1.00 H new ATOM 0 HE22 GLN A 37 -8.669 -12.883 4.712 1.00 1.00 H new ATOM 537 N SER A 38 -11.713 -6.663 1.954 1.00 1.00 N ATOM 538 CA SER A 38 -11.335 -5.475 1.184 1.00 1.00 C ATOM 539 C SER A 38 -10.465 -4.557 2.031 1.00 1.00 C ATOM 540 O SER A 38 -10.805 -4.229 3.169 1.00 1.00 O ATOM 541 CB SER A 38 -12.580 -4.733 0.700 1.00 1.00 C ATOM 542 OG SER A 38 -12.190 -3.497 0.119 1.00 1.00 O ATOM 0 H SER A 38 -12.262 -6.465 2.791 1.00 1.00 H new ATOM 0 HA SER A 38 -10.764 -5.792 0.312 1.00 1.00 H new ATOM 0 HB2 SER A 38 -13.118 -5.338 -0.030 1.00 1.00 H new ATOM 0 HB3 SER A 38 -13.261 -4.558 1.533 1.00 1.00 H new ATOM 0 HG SER A 38 -11.709 -2.961 0.783 1.00 1.00 H new ATOM 548 N ARG A 39 -9.328 -4.164 1.465 1.00 1.00 N ATOM 549 CA ARG A 39 -8.372 -3.301 2.159 1.00 1.00 C ATOM 550 C ARG A 39 -7.966 -2.132 1.270 1.00 1.00 C ATOM 551 O ARG A 39 -8.031 -2.218 0.045 1.00 1.00 O ATOM 552 CB ARG A 39 -7.125 -4.105 2.537 1.00 1.00 C ATOM 553 CG ARG A 39 -7.469 -5.122 3.631 1.00 1.00 C ATOM 554 CD ARG A 39 -6.228 -5.955 3.977 1.00 1.00 C ATOM 555 NE ARG A 39 -6.550 -6.922 5.023 1.00 1.00 N ATOM 556 CZ ARG A 39 -5.599 -7.568 5.697 1.00 1.00 C ATOM 557 NH1 ARG A 39 -4.337 -7.331 5.451 1.00 1.00 N ATOM 558 NH2 ARG A 39 -5.929 -8.439 6.611 1.00 1.00 N ATOM 0 H ARG A 39 -9.043 -4.430 0.522 1.00 1.00 H new ATOM 0 HA ARG A 39 -8.847 -2.914 3.061 1.00 1.00 H new ATOM 0 HB2 ARG A 39 -6.735 -4.620 1.659 1.00 1.00 H new ATOM 0 HB3 ARG A 39 -6.341 -3.433 2.887 1.00 1.00 H new ATOM 0 HG2 ARG A 39 -7.830 -4.605 4.520 1.00 1.00 H new ATOM 0 HG3 ARG A 39 -8.274 -5.775 3.293 1.00 1.00 H new ATOM 0 HD2 ARG A 39 -5.869 -6.474 3.088 1.00 1.00 H new ATOM 0 HD3 ARG A 39 -5.422 -5.301 4.311 1.00 1.00 H new ATOM 0 HE ARG A 39 -7.528 -7.108 5.243 1.00 1.00 H new ATOM 0 HH11 ARG A 39 -4.076 -6.648 4.740 1.00 1.00 H new ATOM 0 HH12 ARG A 39 -3.614 -7.829 5.970 1.00 1.00 H new ATOM 0 HH21 ARG A 39 -6.913 -8.624 6.808 1.00 1.00 H new ATOM 0 HH22 ARG A 39 -5.203 -8.935 7.128 1.00 1.00 H new ATOM 572 N LEU A 40 -7.547 -1.042 1.910 1.00 1.00 N ATOM 573 CA LEU A 40 -7.123 0.164 1.191 1.00 1.00 C ATOM 574 C LEU A 40 -5.619 0.367 1.365 1.00 1.00 C ATOM 575 O LEU A 40 -5.134 0.502 2.488 1.00 1.00 O ATOM 576 CB LEU A 40 -7.909 1.377 1.726 1.00 1.00 C ATOM 577 CG LEU A 40 -7.452 2.678 1.048 1.00 1.00 C ATOM 578 CD1 LEU A 40 -7.854 2.675 -0.431 1.00 1.00 C ATOM 579 CD2 LEU A 40 -8.116 3.866 1.749 1.00 1.00 C ATOM 0 H LEU A 40 -7.491 -0.966 2.926 1.00 1.00 H new ATOM 0 HA LEU A 40 -7.331 0.055 0.127 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -8.975 1.228 1.553 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -7.770 1.457 2.804 1.00 1.00 H new ATOM 0 HG LEU A 40 -6.367 2.757 1.120 1.00 1.00 H new ATOM 0 HD11 LEU A 40 -7.524 3.602 -0.900 1.00 1.00 H new ATOM 0 HD12 LEU A 40 -7.386 1.828 -0.933 1.00 1.00 H new ATOM 0 HD13 LEU A 40 -8.938 2.592 -0.513 1.00 1.00 H new ATOM 0 HD21 LEU A 40 -7.797 4.794 1.274 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -9.199 3.774 1.674 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -7.825 3.878 2.799 1.00 1.00 H new ATOM 591 N LEU A 41 -4.877 0.376 0.249 1.00 1.00 N ATOM 592 CA LEU A 41 -3.429 0.550 0.293 1.00 1.00 C ATOM 593 C LEU A 41 -3.058 2.021 0.159 1.00 1.00 C ATOM 594 O LEU A 41 -3.837 2.824 -0.350 1.00 1.00 O ATOM 595 CB LEU A 41 -2.784 -0.222 -0.862 1.00 1.00 C ATOM 596 CG LEU A 41 -2.919 -1.735 -0.636 1.00 1.00 C ATOM 597 CD1 LEU A 41 -4.376 -2.185 -0.843 1.00 1.00 C ATOM 598 CD2 LEU A 41 -2.010 -2.466 -1.628 1.00 1.00 C ATOM 0 H LEU A 41 -5.260 0.265 -0.690 1.00 1.00 H new ATOM 0 HA LEU A 41 -3.069 0.174 1.251 1.00 1.00 H new ATOM 0 HB2 LEU A 41 -3.259 0.055 -1.803 1.00 1.00 H new ATOM 0 HB3 LEU A 41 -1.731 0.047 -0.945 1.00 1.00 H new ATOM 0 HG LEU A 41 -2.627 -1.972 0.387 1.00 1.00 H new ATOM 0 HD11 LEU A 41 -4.452 -3.260 -0.679 1.00 1.00 H new ATOM 0 HD12 LEU A 41 -5.022 -1.663 -0.137 1.00 1.00 H new ATOM 0 HD13 LEU A 41 -4.688 -1.951 -1.861 1.00 1.00 H new ATOM 0 HD21 LEU A 41 -2.097 -3.542 -1.477 1.00 1.00 H new ATOM 0 HD22 LEU A 41 -2.308 -2.217 -2.646 1.00 1.00 H new ATOM 0 HD23 LEU A 41 -0.976 -2.160 -1.468 1.00 1.00 H new ATOM 610 N GLY A 42 -1.853 2.363 0.605 1.00 1.00 N ATOM 611 CA GLY A 42 -1.375 3.737 0.515 1.00 1.00 C ATOM 612 C GLY A 42 0.146 3.786 0.601 1.00 1.00 C ATOM 613 O GLY A 42 0.763 3.001 1.317 1.00 1.00 O ATOM 0 H GLY A 42 -1.194 1.711 1.030 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -1.705 4.181 -0.424 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -1.809 4.331 1.319 1.00 1.00 H new ATOM 617 N LEU A 43 0.742 4.734 -0.120 1.00 1.00 N ATOM 618 CA LEU A 43 2.196 4.917 -0.121 1.00 1.00 C ATOM 619 C LEU A 43 2.518 6.358 0.233 1.00 1.00 C ATOM 620 O LEU A 43 1.972 7.287 -0.363 1.00 1.00 O ATOM 621 CB LEU A 43 2.767 4.553 -1.497 1.00 1.00 C ATOM 622 CG LEU A 43 4.270 4.868 -1.560 1.00 1.00 C ATOM 623 CD1 LEU A 43 5.005 4.197 -0.395 1.00 1.00 C ATOM 624 CD2 LEU A 43 4.834 4.344 -2.885 1.00 1.00 C ATOM 0 H LEU A 43 0.239 5.392 -0.715 1.00 1.00 H new ATOM 0 HA LEU A 43 2.652 4.261 0.621 1.00 1.00 H new ATOM 0 HB2 LEU A 43 2.603 3.494 -1.696 1.00 1.00 H new ATOM 0 HB3 LEU A 43 2.241 5.108 -2.273 1.00 1.00 H new ATOM 0 HG LEU A 43 4.413 5.946 -1.491 1.00 1.00 H new ATOM 0 HD11 LEU A 43 6.068 4.429 -0.453 1.00 1.00 H new ATOM 0 HD12 LEU A 43 4.604 4.566 0.549 1.00 1.00 H new ATOM 0 HD13 LEU A 43 4.866 3.117 -0.451 1.00 1.00 H new ATOM 0 HD21 LEU A 43 5.900 4.563 -2.939 1.00 1.00 H new ATOM 0 HD22 LEU A 43 4.682 3.266 -2.945 1.00 1.00 H new ATOM 0 HD23 LEU A 43 4.322 4.829 -3.716 1.00 1.00 H new ATOM 636 N VAL A 44 3.391 6.546 1.225 1.00 1.00 N ATOM 637 CA VAL A 44 3.751 7.898 1.666 1.00 1.00 C ATOM 638 C VAL A 44 5.259 8.105 1.683 1.00 1.00 C ATOM 639 O VAL A 44 6.012 7.282 2.203 1.00 1.00 O ATOM 640 CB VAL A 44 3.191 8.137 3.070 1.00 1.00 C ATOM 641 CG1 VAL A 44 3.742 9.443 3.654 1.00 1.00 C ATOM 642 CG2 VAL A 44 1.665 8.209 3.002 1.00 1.00 C ATOM 0 H VAL A 44 3.856 5.793 1.732 1.00 1.00 H new ATOM 0 HA VAL A 44 3.323 8.608 0.958 1.00 1.00 H new ATOM 0 HB VAL A 44 3.494 7.312 3.715 1.00 1.00 H new ATOM 0 HG11 VAL A 44 3.333 9.596 4.653 1.00 1.00 H new ATOM 0 HG12 VAL A 44 4.829 9.386 3.712 1.00 1.00 H new ATOM 0 HG13 VAL A 44 3.457 10.277 3.013 1.00 1.00 H new ATOM 0 HG21 VAL A 44 1.264 8.379 4.001 1.00 1.00 H new ATOM 0 HG22 VAL A 44 1.368 9.028 2.347 1.00 1.00 H new ATOM 0 HG23 VAL A 44 1.274 7.271 2.609 1.00 1.00 H new ATOM 652 N ARG A 45 5.677 9.240 1.133 1.00 1.00 N ATOM 653 CA ARG A 45 7.084 9.613 1.096 1.00 1.00 C ATOM 654 C ARG A 45 7.299 10.818 1.996 1.00 1.00 C ATOM 655 O ARG A 45 6.582 11.813 1.903 1.00 1.00 O ATOM 656 CB ARG A 45 7.502 9.951 -0.334 1.00 1.00 C ATOM 657 CG ARG A 45 8.948 10.453 -0.346 1.00 1.00 C ATOM 658 CD ARG A 45 9.420 10.597 -1.791 1.00 1.00 C ATOM 659 NE ARG A 45 8.653 11.635 -2.467 1.00 1.00 N ATOM 660 CZ ARG A 45 8.784 11.846 -3.772 1.00 1.00 C ATOM 661 NH1 ARG A 45 9.598 11.105 -4.474 1.00 1.00 N ATOM 662 NH2 ARG A 45 8.096 12.790 -4.352 1.00 1.00 N ATOM 0 H ARG A 45 5.053 9.923 0.703 1.00 1.00 H new ATOM 0 HA ARG A 45 7.691 8.778 1.446 1.00 1.00 H new ATOM 0 HB2 ARG A 45 7.408 9.069 -0.968 1.00 1.00 H new ATOM 0 HB3 ARG A 45 6.840 10.712 -0.746 1.00 1.00 H new ATOM 0 HG2 ARG A 45 9.017 11.412 0.168 1.00 1.00 H new ATOM 0 HG3 ARG A 45 9.591 9.756 0.191 1.00 1.00 H new ATOM 0 HD2 ARG A 45 10.481 10.846 -1.812 1.00 1.00 H new ATOM 0 HD3 ARG A 45 9.305 9.649 -2.316 1.00 1.00 H new ATOM 0 HE ARG A 45 8.004 12.210 -1.929 1.00 1.00 H new ATOM 0 HH11 ARG A 45 10.133 10.364 -4.020 1.00 1.00 H new ATOM 0 HH12 ARG A 45 9.699 11.267 -5.476 1.00 1.00 H new ATOM 0 HH21 ARG A 45 7.457 13.366 -3.804 1.00 1.00 H new ATOM 0 HH22 ARG A 45 8.196 12.952 -5.354 1.00 1.00 H new ATOM 676 N TYR A 46 8.283 10.714 2.876 1.00 1.00 N ATOM 677 CA TYR A 46 8.597 11.786 3.814 1.00 1.00 C ATOM 678 C TYR A 46 10.096 12.078 3.772 1.00 1.00 C ATOM 679 O TYR A 46 10.910 11.154 3.748 1.00 1.00 O ATOM 680 CB TYR A 46 8.164 11.347 5.212 1.00 1.00 C ATOM 681 CG TYR A 46 8.472 12.433 6.210 1.00 1.00 C ATOM 682 CD1 TYR A 46 7.723 13.614 6.205 1.00 1.00 C ATOM 683 CD2 TYR A 46 9.498 12.257 7.143 1.00 1.00 C ATOM 684 CE1 TYR A 46 8.000 14.621 7.135 1.00 1.00 C ATOM 685 CE2 TYR A 46 9.777 13.263 8.072 1.00 1.00 C ATOM 686 CZ TYR A 46 9.029 14.445 8.068 1.00 1.00 C ATOM 687 OH TYR A 46 9.304 15.436 8.986 1.00 1.00 O ATOM 0 H TYR A 46 8.883 9.893 2.962 1.00 1.00 H new ATOM 0 HA TYR A 46 8.067 12.700 3.545 1.00 1.00 H new ATOM 0 HB2 TYR A 46 7.096 11.127 5.219 1.00 1.00 H new ATOM 0 HB3 TYR A 46 8.681 10.428 5.490 1.00 1.00 H new ATOM 0 HD1 TYR A 46 6.931 13.748 5.483 1.00 1.00 H new ATOM 0 HD2 TYR A 46 10.075 11.344 7.146 1.00 1.00 H new ATOM 0 HE1 TYR A 46 7.421 15.533 7.134 1.00 1.00 H new ATOM 0 HE2 TYR A 46 10.570 13.128 8.793 1.00 1.00 H new ATOM 0 HH TYR A 46 10.046 15.153 9.560 1.00 1.00 H new ATOM 697 N ARG A 47 10.464 13.362 3.744 1.00 1.00 N ATOM 698 CA ARG A 47 11.880 13.748 3.685 1.00 1.00 C ATOM 699 C ARG A 47 12.417 14.102 5.068 1.00 1.00 C ATOM 700 O ARG A 47 11.687 14.607 5.920 1.00 1.00 O ATOM 701 CB ARG A 47 12.058 14.944 2.740 1.00 1.00 C ATOM 702 CG ARG A 47 11.287 16.158 3.271 1.00 1.00 C ATOM 703 CD ARG A 47 11.451 17.331 2.302 1.00 1.00 C ATOM 704 NE ARG A 47 10.742 18.503 2.809 1.00 1.00 N ATOM 705 CZ ARG A 47 9.451 18.695 2.548 1.00 1.00 C ATOM 706 NH1 ARG A 47 8.797 17.837 1.813 1.00 1.00 N ATOM 707 NH2 ARG A 47 8.838 19.743 3.029 1.00 1.00 N ATOM 0 H ARG A 47 9.811 14.145 3.761 1.00 1.00 H new ATOM 0 HA ARG A 47 12.445 12.895 3.308 1.00 1.00 H new ATOM 0 HB2 ARG A 47 13.116 15.189 2.647 1.00 1.00 H new ATOM 0 HB3 ARG A 47 11.701 14.685 1.743 1.00 1.00 H new ATOM 0 HG2 ARG A 47 10.231 15.911 3.384 1.00 1.00 H new ATOM 0 HG3 ARG A 47 11.657 16.434 4.258 1.00 1.00 H new ATOM 0 HD2 ARG A 47 12.508 17.563 2.175 1.00 1.00 H new ATOM 0 HD3 ARG A 47 11.064 17.059 1.320 1.00 1.00 H new ATOM 0 HE ARG A 47 11.246 19.187 3.374 1.00 1.00 H new ATOM 0 HH11 ARG A 47 9.275 17.018 1.438 1.00 1.00 H new ATOM 0 HH12 ARG A 47 7.808 17.986 1.614 1.00 1.00 H new ATOM 0 HH21 ARG A 47 9.349 20.413 3.604 1.00 1.00 H new ATOM 0 HH22 ARG A 47 7.849 19.891 2.830 1.00 1.00 H new ATOM 721 N LEU A 48 13.709 13.838 5.278 1.00 1.00 N ATOM 722 CA LEU A 48 14.359 14.135 6.557 1.00 1.00 C ATOM 723 C LEU A 48 15.182 15.412 6.451 1.00 1.00 C ATOM 724 O LEU A 48 15.804 15.684 5.423 1.00 1.00 O ATOM 725 CB LEU A 48 15.284 12.985 6.971 1.00 1.00 C ATOM 726 CG LEU A 48 14.475 11.698 7.180 1.00 1.00 C ATOM 727 CD1 LEU A 48 15.439 10.534 7.429 1.00 1.00 C ATOM 728 CD2 LEU A 48 13.531 11.852 8.388 1.00 1.00 C ATOM 0 H LEU A 48 14.325 13.420 4.580 1.00 1.00 H new ATOM 0 HA LEU A 48 13.578 14.263 7.307 1.00 1.00 H new ATOM 0 HB2 LEU A 48 16.042 12.825 6.204 1.00 1.00 H new ATOM 0 HB3 LEU A 48 15.810 13.245 7.890 1.00 1.00 H new ATOM 0 HG LEU A 48 13.877 11.502 6.290 1.00 1.00 H new ATOM 0 HD11 LEU A 48 14.870 9.616 7.578 1.00 1.00 H new ATOM 0 HD12 LEU A 48 16.098 10.417 6.569 1.00 1.00 H new ATOM 0 HD13 LEU A 48 16.036 10.740 8.318 1.00 1.00 H new ATOM 0 HD21 LEU A 48 12.963 10.932 8.525 1.00 1.00 H new ATOM 0 HD22 LEU A 48 14.117 12.054 9.285 1.00 1.00 H new ATOM 0 HD23 LEU A 48 12.844 12.679 8.210 1.00 1.00 H new ATOM 740 N GLU A 49 15.181 16.188 7.527 1.00 1.00 N ATOM 741 CA GLU A 49 15.931 17.434 7.564 1.00 1.00 C ATOM 742 C GLU A 49 17.399 17.184 7.241 1.00 1.00 C ATOM 743 O GLU A 49 18.153 18.115 6.960 1.00 1.00 O ATOM 744 CB GLU A 49 15.807 18.067 8.950 1.00 1.00 C ATOM 745 CG GLU A 49 14.355 18.480 9.197 1.00 1.00 C ATOM 746 CD GLU A 49 13.974 19.641 8.281 1.00 1.00 C ATOM 747 OE1 GLU A 49 14.862 20.190 7.652 1.00 1.00 O ATOM 748 OE2 GLU A 49 12.800 19.968 8.231 1.00 1.00 O ATOM 0 H GLU A 49 14.670 15.976 8.384 1.00 1.00 H new ATOM 0 HA GLU A 49 15.521 18.112 6.816 1.00 1.00 H new ATOM 0 HB2 GLU A 49 16.130 17.360 9.714 1.00 1.00 H new ATOM 0 HB3 GLU A 49 16.461 18.936 9.024 1.00 1.00 H new ATOM 0 HG2 GLU A 49 13.693 17.633 9.017 1.00 1.00 H new ATOM 0 HG3 GLU A 49 14.224 18.771 10.239 1.00 1.00 H new ATOM 755 N ASN A 50 17.799 15.917 7.290 1.00 1.00 N ATOM 756 CA ASN A 50 19.184 15.548 7.009 1.00 1.00 C ATOM 757 C ASN A 50 19.402 15.395 5.509 1.00 1.00 C ATOM 758 O ASN A 50 20.502 15.078 5.072 1.00 1.00 O ATOM 759 CB ASN A 50 19.517 14.229 7.707 1.00 1.00 C ATOM 760 CG ASN A 50 19.473 14.418 9.218 1.00 1.00 C ATOM 761 OD1 ASN A 50 19.934 15.439 9.730 1.00 1.00 O ATOM 762 ND2 ASN A 50 18.938 13.494 9.967 1.00 1.00 N ATOM 0 H ASN A 50 17.189 15.133 7.520 1.00 1.00 H new ATOM 0 HA ASN A 50 19.837 16.337 7.382 1.00 1.00 H new ATOM 0 HB2 ASN A 50 18.806 13.459 7.407 1.00 1.00 H new ATOM 0 HB3 ASN A 50 20.506 13.886 7.403 1.00 1.00 H new ATOM 0 HD21 ASN A 50 18.901 13.616 10.979 1.00 1.00 H new ATOM 0 HD22 ASN A 50 18.557 12.649 9.541 1.00 1.00 H new ATOM 769 N ASP A 51 18.332 15.591 4.740 1.00 1.00 N ATOM 770 CA ASP A 51 18.375 15.450 3.281 1.00 1.00 C ATOM 771 C ASP A 51 18.084 14.004 2.912 1.00 1.00 C ATOM 772 O ASP A 51 17.811 13.681 1.756 1.00 1.00 O ATOM 773 CB ASP A 51 19.743 15.905 2.701 1.00 1.00 C ATOM 774 CG ASP A 51 20.718 14.733 2.513 1.00 1.00 C ATOM 775 OD1 ASP A 51 20.401 13.842 1.740 1.00 1.00 O ATOM 776 OD2 ASP A 51 21.767 14.751 3.137 1.00 1.00 O ATOM 0 H ASP A 51 17.416 15.850 5.105 1.00 1.00 H new ATOM 0 HA ASP A 51 17.615 16.098 2.844 1.00 1.00 H new ATOM 0 HB2 ASP A 51 19.582 16.398 1.742 1.00 1.00 H new ATOM 0 HB3 ASP A 51 20.190 16.643 3.368 1.00 1.00 H new ATOM 781 N ALA A 52 18.156 13.141 3.916 1.00 1.00 N ATOM 782 CA ALA A 52 17.911 11.724 3.717 1.00 1.00 C ATOM 783 C ALA A 52 16.441 11.469 3.411 1.00 1.00 C ATOM 784 O ALA A 52 15.552 12.033 4.047 1.00 1.00 O ATOM 785 CB ALA A 52 18.321 10.958 4.973 1.00 1.00 C ATOM 0 H ALA A 52 18.382 13.400 4.876 1.00 1.00 H new ATOM 0 HA ALA A 52 18.502 11.380 2.868 1.00 1.00 H new ATOM 0 HB1 ALA A 52 18.138 9.894 4.826 1.00 1.00 H new ATOM 0 HB2 ALA A 52 19.381 11.120 5.168 1.00 1.00 H new ATOM 0 HB3 ALA A 52 17.737 11.313 5.822 1.00 1.00 H new ATOM 791 N GLN A 53 16.196 10.607 2.430 1.00 1.00 N ATOM 792 CA GLN A 53 14.829 10.264 2.030 1.00 1.00 C ATOM 793 C GLN A 53 14.416 8.924 2.627 1.00 1.00 C ATOM 794 O GLN A 53 15.239 8.020 2.779 1.00 1.00 O ATOM 795 CB GLN A 53 14.752 10.179 0.505 1.00 1.00 C ATOM 796 CG GLN A 53 15.114 11.535 -0.098 1.00 1.00 C ATOM 797 CD GLN A 53 14.076 12.576 0.302 1.00 1.00 C ATOM 798 OE1 GLN A 53 14.450 13.639 0.960 1.00 1.00 O flip ATOM 799 NE2 GLN A 53 12.889 12.411 0.018 1.00 1.00 N flip ATOM 0 H GLN A 53 16.923 10.131 1.895 1.00 1.00 H new ATOM 0 HA GLN A 53 14.154 11.037 2.397 1.00 1.00 H new ATOM 0 HB2 GLN A 53 15.434 9.412 0.138 1.00 1.00 H new ATOM 0 HB3 GLN A 53 13.748 9.888 0.196 1.00 1.00 H new ATOM 0 HG2 GLN A 53 16.101 11.843 0.245 1.00 1.00 H new ATOM 0 HG3 GLN A 53 15.164 11.458 -1.184 1.00 1.00 H new ATOM 0 HE21 GLN A 53 12.599 11.579 -0.496 1.00 1.00 H new ATOM 0 HE22 GLN A 53 12.196 13.106 0.297 1.00 1.00 H new ATOM 808 N GLU A 54 13.130 8.796 2.956 1.00 1.00 N ATOM 809 CA GLU A 54 12.604 7.553 3.523 1.00 1.00 C ATOM 810 C GLU A 54 11.168 7.322 3.051 1.00 1.00 C ATOM 811 O GLU A 54 10.421 8.271 2.813 1.00 1.00 O ATOM 812 CB GLU A 54 12.646 7.596 5.059 1.00 1.00 C ATOM 813 CG GLU A 54 14.099 7.619 5.559 1.00 1.00 C ATOM 814 CD GLU A 54 14.825 6.340 5.141 1.00 1.00 C ATOM 815 OE1 GLU A 54 14.150 5.365 4.858 1.00 1.00 O ATOM 816 OE2 GLU A 54 16.045 6.358 5.111 1.00 1.00 O ATOM 0 H GLU A 54 12.436 9.534 2.840 1.00 1.00 H new ATOM 0 HA GLU A 54 13.230 6.730 3.179 1.00 1.00 H new ATOM 0 HB2 GLU A 54 12.118 8.479 5.418 1.00 1.00 H new ATOM 0 HB3 GLU A 54 12.129 6.728 5.467 1.00 1.00 H new ATOM 0 HG2 GLU A 54 14.617 8.488 5.153 1.00 1.00 H new ATOM 0 HG3 GLU A 54 14.116 7.716 6.645 1.00 1.00 H new ATOM 823 N HIS A 55 10.796 6.048 2.908 1.00 1.00 N ATOM 824 CA HIS A 55 9.452 5.683 2.450 1.00 1.00 C ATOM 825 C HIS A 55 8.973 4.411 3.144 1.00 1.00 C ATOM 826 O HIS A 55 9.754 3.704 3.780 1.00 1.00 O ATOM 827 CB HIS A 55 9.460 5.446 0.934 1.00 1.00 C ATOM 828 CG HIS A 55 10.399 6.415 0.275 1.00 1.00 C ATOM 829 ND1 HIS A 55 11.754 6.441 0.567 1.00 1.00 N ATOM 830 CD2 HIS A 55 10.201 7.384 -0.673 1.00 1.00 C ATOM 831 CE1 HIS A 55 12.313 7.399 -0.195 1.00 1.00 C ATOM 832 NE2 HIS A 55 11.409 8.006 -0.970 1.00 1.00 N ATOM 0 H HIS A 55 11.405 5.253 3.102 1.00 1.00 H new ATOM 0 HA HIS A 55 8.777 6.503 2.695 1.00 1.00 H new ATOM 0 HB2 HIS A 55 9.767 4.423 0.718 1.00 1.00 H new ATOM 0 HB3 HIS A 55 8.454 5.569 0.532 1.00 1.00 H new ATOM 0 HD2 HIS A 55 9.250 7.628 -1.122 1.00 1.00 H new ATOM 0 HE1 HIS A 55 13.364 7.647 -0.182 1.00 1.00 H new ATOM 0 HE2 HIS A 55 11.570 8.762 -1.635 1.00 1.00 H new ATOM 840 N ALA A 56 7.683 4.123 3.001 1.00 1.00 N ATOM 841 CA ALA A 56 7.094 2.931 3.598 1.00 1.00 C ATOM 842 C ALA A 56 5.723 2.673 2.964 1.00 1.00 C ATOM 843 O ALA A 56 5.117 3.581 2.408 1.00 1.00 O ATOM 844 CB ALA A 56 6.957 3.114 5.112 1.00 1.00 C ATOM 0 H ALA A 56 7.026 4.700 2.476 1.00 1.00 H new ATOM 0 HA ALA A 56 7.741 2.073 3.413 1.00 1.00 H new ATOM 0 HB1 ALA A 56 6.516 2.218 5.548 1.00 1.00 H new ATOM 0 HB2 ALA A 56 7.941 3.283 5.549 1.00 1.00 H new ATOM 0 HB3 ALA A 56 6.316 3.971 5.318 1.00 1.00 H new ATOM 850 N LEU A 57 5.239 1.434 3.052 1.00 1.00 N ATOM 851 CA LEU A 57 3.935 1.084 2.472 1.00 1.00 C ATOM 852 C LEU A 57 2.857 1.106 3.549 1.00 1.00 C ATOM 853 O LEU A 57 2.781 0.212 4.391 1.00 1.00 O ATOM 854 CB LEU A 57 4.007 -0.303 1.813 1.00 1.00 C ATOM 855 CG LEU A 57 2.669 -0.660 1.145 1.00 1.00 C ATOM 856 CD1 LEU A 57 2.371 0.302 -0.016 1.00 1.00 C ATOM 857 CD2 LEU A 57 2.748 -2.095 0.611 1.00 1.00 C ATOM 0 H LEU A 57 5.721 0.662 3.513 1.00 1.00 H new ATOM 0 HA LEU A 57 3.678 1.820 1.710 1.00 1.00 H new ATOM 0 HB2 LEU A 57 4.805 -0.317 1.070 1.00 1.00 H new ATOM 0 HB3 LEU A 57 4.256 -1.054 2.562 1.00 1.00 H new ATOM 0 HG LEU A 57 1.869 -0.574 1.880 1.00 1.00 H new ATOM 0 HD11 LEU A 57 1.420 0.033 -0.476 1.00 1.00 H new ATOM 0 HD12 LEU A 57 2.315 1.323 0.362 1.00 1.00 H new ATOM 0 HD13 LEU A 57 3.166 0.233 -0.759 1.00 1.00 H new ATOM 0 HD21 LEU A 57 1.804 -2.359 0.135 1.00 1.00 H new ATOM 0 HD22 LEU A 57 3.555 -2.168 -0.118 1.00 1.00 H new ATOM 0 HD23 LEU A 57 2.942 -2.780 1.436 1.00 1.00 H new ATOM 869 N PHE A 58 2.046 2.157 3.525 1.00 1.00 N ATOM 870 CA PHE A 58 0.990 2.331 4.509 1.00 1.00 C ATOM 871 C PHE A 58 -0.212 1.458 4.177 1.00 1.00 C ATOM 872 O PHE A 58 -0.598 1.317 3.016 1.00 1.00 O ATOM 873 CB PHE A 58 0.571 3.813 4.558 1.00 1.00 C ATOM 874 CG PHE A 58 1.506 4.603 5.459 1.00 1.00 C ATOM 875 CD1 PHE A 58 2.863 4.249 5.578 1.00 1.00 C ATOM 876 CD2 PHE A 58 1.009 5.689 6.189 1.00 1.00 C ATOM 877 CE1 PHE A 58 3.705 4.979 6.420 1.00 1.00 C ATOM 878 CE2 PHE A 58 1.856 6.415 7.033 1.00 1.00 C ATOM 879 CZ PHE A 58 3.204 6.061 7.147 1.00 1.00 C ATOM 0 H PHE A 58 2.102 2.903 2.831 1.00 1.00 H new ATOM 0 HA PHE A 58 1.369 2.027 5.485 1.00 1.00 H new ATOM 0 HB2 PHE A 58 0.584 4.234 3.553 1.00 1.00 H new ATOM 0 HB3 PHE A 58 -0.452 3.895 4.925 1.00 1.00 H new ATOM 0 HD1 PHE A 58 3.254 3.412 5.018 1.00 1.00 H new ATOM 0 HD2 PHE A 58 -0.031 5.967 6.100 1.00 1.00 H new ATOM 0 HE1 PHE A 58 4.746 4.706 6.509 1.00 1.00 H new ATOM 0 HE2 PHE A 58 1.468 7.250 7.597 1.00 1.00 H new ATOM 0 HZ PHE A 58 3.857 6.624 7.797 1.00 1.00 H new ATOM 889 N LEU A 59 -0.828 0.917 5.222 1.00 1.00 N ATOM 890 CA LEU A 59 -2.023 0.094 5.069 1.00 1.00 C ATOM 891 C LEU A 59 -3.171 0.786 5.782 1.00 1.00 C ATOM 892 O LEU A 59 -3.126 1.016 6.992 1.00 1.00 O ATOM 893 CB LEU A 59 -1.805 -1.305 5.659 1.00 1.00 C ATOM 894 CG LEU A 59 -2.889 -2.278 5.134 1.00 1.00 C ATOM 895 CD1 LEU A 59 -2.496 -2.820 3.750 1.00 1.00 C ATOM 896 CD2 LEU A 59 -3.056 -3.456 6.113 1.00 1.00 C ATOM 0 H LEU A 59 -0.519 1.034 6.187 1.00 1.00 H new ATOM 0 HA LEU A 59 -2.250 -0.025 4.009 1.00 1.00 H new ATOM 0 HB2 LEU A 59 -0.815 -1.672 5.389 1.00 1.00 H new ATOM 0 HB3 LEU A 59 -1.843 -1.259 6.747 1.00 1.00 H new ATOM 0 HG LEU A 59 -3.831 -1.735 5.051 1.00 1.00 H new ATOM 0 HD11 LEU A 59 -3.268 -3.503 3.394 1.00 1.00 H new ATOM 0 HD12 LEU A 59 -2.394 -1.991 3.050 1.00 1.00 H new ATOM 0 HD13 LEU A 59 -1.547 -3.352 3.823 1.00 1.00 H new ATOM 0 HD21 LEU A 59 -3.820 -4.136 5.737 1.00 1.00 H new ATOM 0 HD22 LEU A 59 -2.110 -3.989 6.206 1.00 1.00 H new ATOM 0 HD23 LEU A 59 -3.356 -3.077 7.090 1.00 1.00 H new ATOM 908 N TYR A 60 -4.192 1.126 5.015 1.00 1.00 N ATOM 909 CA TYR A 60 -5.367 1.810 5.540 1.00 1.00 C ATOM 910 C TYR A 60 -6.562 0.869 5.513 1.00 1.00 C ATOM 911 O TYR A 60 -6.819 0.236 4.493 1.00 1.00 O ATOM 912 CB TYR A 60 -5.687 3.014 4.644 1.00 1.00 C ATOM 913 CG TYR A 60 -4.649 4.104 4.806 1.00 1.00 C ATOM 914 CD1 TYR A 60 -4.833 5.095 5.774 1.00 1.00 C ATOM 915 CD2 TYR A 60 -3.521 4.143 3.974 1.00 1.00 C ATOM 916 CE1 TYR A 60 -3.892 6.123 5.919 1.00 1.00 C ATOM 917 CE2 TYR A 60 -2.580 5.174 4.118 1.00 1.00 C ATOM 918 CZ TYR A 60 -2.765 6.162 5.091 1.00 1.00 C ATOM 919 OH TYR A 60 -1.841 7.179 5.229 1.00 1.00 O ATOM 0 H TYR A 60 -4.233 0.938 4.013 1.00 1.00 H new ATOM 0 HA TYR A 60 -5.167 2.132 6.562 1.00 1.00 H new ATOM 0 HB2 TYR A 60 -5.726 2.696 3.602 1.00 1.00 H new ATOM 0 HB3 TYR A 60 -6.673 3.406 4.894 1.00 1.00 H new ATOM 0 HD1 TYR A 60 -5.704 5.068 6.413 1.00 1.00 H new ATOM 0 HD2 TYR A 60 -3.377 3.380 3.223 1.00 1.00 H new ATOM 0 HE1 TYR A 60 -4.037 6.885 6.670 1.00 1.00 H new ATOM 0 HE2 TYR A 60 -1.712 5.205 3.477 1.00 1.00 H new ATOM 0 HH TYR A 60 -1.119 7.056 4.578 1.00 1.00 H new ATOM 929 N THR A 61 -7.316 0.780 6.607 1.00 1.00 N ATOM 930 CA THR A 61 -8.494 -0.083 6.600 1.00 1.00 C ATOM 931 C THR A 61 -9.660 0.721 6.070 1.00 1.00 C ATOM 932 O THR A 61 -9.588 1.944 5.988 1.00 1.00 O ATOM 933 CB THR A 61 -8.837 -0.612 7.995 1.00 1.00 C ATOM 934 OG1 THR A 61 -9.938 -1.507 7.887 1.00 1.00 O ATOM 935 CG2 THR A 61 -9.219 0.549 8.916 1.00 1.00 C ATOM 0 H THR A 61 -7.141 1.276 7.481 1.00 1.00 H new ATOM 0 HA THR A 61 -8.284 -0.948 5.971 1.00 1.00 H new ATOM 0 HB THR A 61 -7.971 -1.127 8.412 1.00 1.00 H new ATOM 0 HG1 THR A 61 -10.166 -1.854 8.775 1.00 1.00 H new ATOM 0 HG21 THR A 61 -9.461 0.163 9.906 1.00 1.00 H new ATOM 0 HG22 THR A 61 -8.382 1.244 8.992 1.00 1.00 H new ATOM 0 HG23 THR A 61 -10.086 1.068 8.507 1.00 1.00 H new ATOM 943 N HIS A 62 -10.736 0.045 5.725 1.00 1.00 N ATOM 944 CA HIS A 62 -11.904 0.739 5.222 1.00 1.00 C ATOM 945 C HIS A 62 -13.117 -0.176 5.261 1.00 1.00 C ATOM 946 O HIS A 62 -12.987 -1.402 5.262 1.00 1.00 O ATOM 947 CB HIS A 62 -11.631 1.260 3.803 1.00 1.00 C ATOM 948 CG HIS A 62 -11.751 0.147 2.805 1.00 1.00 C ATOM 949 ND1 HIS A 62 -12.937 -0.132 2.151 1.00 1.00 N ATOM 950 CD2 HIS A 62 -10.844 -0.767 2.348 1.00 1.00 C ATOM 951 CE1 HIS A 62 -12.717 -1.178 1.339 1.00 1.00 C ATOM 952 NE2 HIS A 62 -11.453 -1.607 1.419 1.00 1.00 N ATOM 0 H HIS A 62 -10.827 -0.969 5.782 1.00 1.00 H new ATOM 0 HA HIS A 62 -12.119 1.597 5.859 1.00 1.00 H new ATOM 0 HB2 HIS A 62 -12.337 2.054 3.558 1.00 1.00 H new ATOM 0 HB3 HIS A 62 -10.633 1.695 3.754 1.00 1.00 H new ATOM 0 HD1 HIS A 62 -13.819 0.367 2.265 1.00 1.00 H new ATOM 0 HD2 HIS A 62 -9.812 -0.829 2.660 1.00 1.00 H new ATOM 0 HE1 HIS A 62 -13.468 -1.619 0.700 1.00 1.00 H new ATOM 960 N ARG A 63 -14.295 0.424 5.302 1.00 1.00 N ATOM 961 CA ARG A 63 -15.527 -0.347 5.353 1.00 1.00 C ATOM 962 C ARG A 63 -15.802 -0.988 4.005 1.00 1.00 C ATOM 963 O ARG A 63 -14.927 -1.053 3.142 1.00 1.00 O ATOM 964 CB ARG A 63 -16.714 0.540 5.748 1.00 1.00 C ATOM 965 CG ARG A 63 -16.497 1.082 7.158 1.00 1.00 C ATOM 966 CD ARG A 63 -17.681 1.964 7.568 1.00 1.00 C ATOM 967 NE ARG A 63 -18.894 1.158 7.679 1.00 1.00 N ATOM 968 CZ ARG A 63 -20.069 1.711 7.970 1.00 1.00 C ATOM 969 NH1 ARG A 63 -20.154 2.997 8.180 1.00 1.00 N ATOM 970 NH2 ARG A 63 -21.138 0.967 8.052 1.00 1.00 N ATOM 0 H ARG A 63 -14.425 1.436 5.301 1.00 1.00 H new ATOM 0 HA ARG A 63 -15.405 -1.124 6.107 1.00 1.00 H new ATOM 0 HB2 ARG A 63 -16.817 1.364 5.042 1.00 1.00 H new ATOM 0 HB3 ARG A 63 -17.640 -0.033 5.706 1.00 1.00 H new ATOM 0 HG2 ARG A 63 -16.387 0.256 7.861 1.00 1.00 H new ATOM 0 HG3 ARG A 63 -15.573 1.659 7.197 1.00 1.00 H new ATOM 0 HD2 ARG A 63 -17.470 2.450 8.521 1.00 1.00 H new ATOM 0 HD3 ARG A 63 -17.827 2.755 6.832 1.00 1.00 H new ATOM 0 HE ARG A 63 -18.839 0.150 7.530 1.00 1.00 H new ATOM 0 HH11 ARG A 63 -19.319 3.580 8.121 1.00 1.00 H new ATOM 0 HH12 ARG A 63 -21.056 3.419 8.403 1.00 1.00 H new ATOM 0 HH21 ARG A 63 -21.073 -0.038 7.893 1.00 1.00 H new ATOM 0 HH22 ARG A 63 -22.039 1.391 8.275 1.00 1.00 H new ATOM 984 N ARG A 64 -17.022 -1.467 3.835 1.00 1.00 N ATOM 985 CA ARG A 64 -17.410 -2.106 2.593 1.00 1.00 C ATOM 986 C ARG A 64 -17.558 -1.072 1.484 1.00 1.00 C ATOM 987 O ARG A 64 -17.445 -1.403 0.303 1.00 1.00 O ATOM 988 CB ARG A 64 -18.734 -2.837 2.787 1.00 1.00 C ATOM 989 CG ARG A 64 -18.525 -4.003 3.751 1.00 1.00 C ATOM 990 CD ARG A 64 -19.863 -4.700 4.003 1.00 1.00 C ATOM 991 NE ARG A 64 -19.693 -5.809 4.939 1.00 1.00 N ATOM 992 CZ ARG A 64 -19.339 -7.019 4.518 1.00 1.00 C ATOM 993 NH1 ARG A 64 -19.132 -7.235 3.249 1.00 1.00 N ATOM 994 NH2 ARG A 64 -19.200 -7.993 5.377 1.00 1.00 N ATOM 0 H ARG A 64 -17.758 -1.425 4.540 1.00 1.00 H new ATOM 0 HA ARG A 64 -16.635 -2.817 2.308 1.00 1.00 H new ATOM 0 HB2 ARG A 64 -19.486 -2.154 3.181 1.00 1.00 H new ATOM 0 HB3 ARG A 64 -19.105 -3.203 1.830 1.00 1.00 H new ATOM 0 HG2 ARG A 64 -17.807 -4.710 3.334 1.00 1.00 H new ATOM 0 HG3 ARG A 64 -18.108 -3.642 4.691 1.00 1.00 H new ATOM 0 HD2 ARG A 64 -20.582 -3.986 4.403 1.00 1.00 H new ATOM 0 HD3 ARG A 64 -20.270 -5.070 3.062 1.00 1.00 H new ATOM 0 HE ARG A 64 -19.849 -5.652 5.935 1.00 1.00 H new ATOM 0 HH11 ARG A 64 -19.242 -6.475 2.578 1.00 1.00 H new ATOM 0 HH12 ARG A 64 -18.860 -8.164 2.927 1.00 1.00 H new ATOM 0 HH21 ARG A 64 -19.363 -7.825 6.370 1.00 1.00 H new ATOM 0 HH22 ARG A 64 -18.928 -8.922 5.055 1.00 1.00 H new ATOM 1008 N MET A 65 -17.822 0.182 1.861 1.00 1.00 N ATOM 1009 CA MET A 65 -17.995 1.250 0.875 1.00 1.00 C ATOM 1010 C MET A 65 -17.481 2.574 1.437 1.00 1.00 C ATOM 1011 O MET A 65 -17.970 3.643 1.071 1.00 1.00 O ATOM 1012 CB MET A 65 -19.485 1.389 0.530 1.00 1.00 C ATOM 1013 CG MET A 65 -20.320 1.276 1.812 1.00 1.00 C ATOM 1014 SD MET A 65 -22.066 1.558 1.421 1.00 1.00 S ATOM 1015 CE MET A 65 -22.717 1.391 3.103 1.00 1.00 C ATOM 0 H MET A 65 -17.920 0.480 2.832 1.00 1.00 H new ATOM 0 HA MET A 65 -17.429 1.000 -0.022 1.00 1.00 H new ATOM 0 HB2 MET A 65 -19.669 2.348 0.047 1.00 1.00 H new ATOM 0 HB3 MET A 65 -19.779 0.614 -0.178 1.00 1.00 H new ATOM 0 HG2 MET A 65 -20.191 0.290 2.257 1.00 1.00 H new ATOM 0 HG3 MET A 65 -19.978 2.005 2.547 1.00 1.00 H new ATOM 0 HE1 MET A 65 -23.798 1.531 3.090 1.00 1.00 H new ATOM 0 HE2 MET A 65 -22.485 0.397 3.486 1.00 1.00 H new ATOM 0 HE3 MET A 65 -22.261 2.144 3.746 1.00 1.00 H new ATOM 1025 N ALA A 66 -16.496 2.496 2.327 1.00 1.00 N ATOM 1026 CA ALA A 66 -15.937 3.707 2.925 1.00 1.00 C ATOM 1027 C ALA A 66 -15.211 4.534 1.866 1.00 1.00 C ATOM 1028 O ALA A 66 -15.487 5.713 1.740 1.00 1.00 O ATOM 1029 CB ALA A 66 -14.980 3.339 4.068 1.00 1.00 C ATOM 0 H ALA A 66 -16.074 1.624 2.647 1.00 1.00 H new ATOM 0 HA ALA A 66 -16.752 4.306 3.332 1.00 1.00 H new ATOM 0 HB1 ALA A 66 -14.570 4.249 4.506 1.00 1.00 H new ATOM 0 HB2 ALA A 66 -15.522 2.781 4.831 1.00 1.00 H new ATOM 0 HB3 ALA A 66 -14.168 2.725 3.679 1.00 1.00 H new ATOM 1035 N ILE A 67 -14.293 3.877 1.137 1.00 1.00 N ATOM 1036 CA ILE A 67 -13.477 4.487 0.068 1.00 1.00 C ATOM 1037 C ILE A 67 -13.344 5.999 0.223 1.00 1.00 C ATOM 1038 O ILE A 67 -12.242 6.548 0.272 1.00 1.00 O ATOM 1039 CB ILE A 67 -14.112 4.171 -1.298 1.00 1.00 C ATOM 1040 CG1 ILE A 67 -14.063 2.661 -1.556 1.00 1.00 C ATOM 1041 CG2 ILE A 67 -13.347 4.897 -2.414 1.00 1.00 C ATOM 1042 CD1 ILE A 67 -14.931 2.312 -2.771 1.00 1.00 C ATOM 0 H ILE A 67 -14.092 2.887 1.276 1.00 1.00 H new ATOM 0 HA ILE A 67 -12.476 4.062 0.139 1.00 1.00 H new ATOM 0 HB ILE A 67 -15.148 4.509 -1.290 1.00 1.00 H new ATOM 0 HG12 ILE A 67 -13.034 2.346 -1.730 1.00 1.00 H new ATOM 0 HG13 ILE A 67 -14.417 2.121 -0.678 1.00 1.00 H new ATOM 0 HG21 ILE A 67 -13.803 4.667 -3.377 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -13.386 5.973 -2.241 1.00 1.00 H new ATOM 0 HG23 ILE A 67 -12.308 4.567 -2.417 1.00 1.00 H new ATOM 0 HD11 ILE A 67 -14.892 1.237 -2.949 1.00 1.00 H new ATOM 0 HD12 ILE A 67 -15.962 2.611 -2.580 1.00 1.00 H new ATOM 0 HD13 ILE A 67 -14.557 2.839 -3.649 1.00 1.00 H new ATOM 1054 N THR A 68 -14.488 6.639 0.246 1.00 1.00 N ATOM 1055 CA THR A 68 -14.605 8.080 0.339 1.00 1.00 C ATOM 1056 C THR A 68 -13.410 8.753 1.025 1.00 1.00 C ATOM 1057 O THR A 68 -13.063 9.880 0.678 1.00 1.00 O ATOM 1058 CB THR A 68 -15.893 8.444 1.080 1.00 1.00 C ATOM 1059 OG1 THR A 68 -17.010 7.921 0.372 1.00 1.00 O ATOM 1060 CG2 THR A 68 -16.014 9.965 1.172 1.00 1.00 C ATOM 0 H THR A 68 -15.389 6.162 0.200 1.00 1.00 H new ATOM 0 HA THR A 68 -14.626 8.455 -0.684 1.00 1.00 H new ATOM 0 HB THR A 68 -15.868 8.020 2.084 1.00 1.00 H new ATOM 0 HG1 THR A 68 -17.836 8.152 0.847 1.00 1.00 H new ATOM 0 HG21 THR A 68 -16.931 10.226 1.700 1.00 1.00 H new ATOM 0 HG22 THR A 68 -15.157 10.366 1.714 1.00 1.00 H new ATOM 0 HG23 THR A 68 -16.040 10.389 0.168 1.00 1.00 H new ATOM 1068 N GLY A 69 -12.810 8.108 2.028 1.00 1.00 N ATOM 1069 CA GLY A 69 -11.694 8.720 2.758 1.00 1.00 C ATOM 1070 C GLY A 69 -12.201 9.181 4.119 1.00 1.00 C ATOM 1071 O GLY A 69 -11.431 9.516 5.017 1.00 1.00 O ATOM 0 H GLY A 69 -13.072 7.176 2.351 1.00 1.00 H new ATOM 0 HA2 GLY A 69 -10.882 8.003 2.879 1.00 1.00 H new ATOM 0 HA3 GLY A 69 -11.292 9.564 2.198 1.00 1.00 H new ATOM 1075 N ASP A 70 -13.527 9.198 4.235 1.00 1.00 N ATOM 1076 CA ASP A 70 -14.187 9.624 5.458 1.00 1.00 C ATOM 1077 C ASP A 70 -13.897 8.695 6.641 1.00 1.00 C ATOM 1078 O ASP A 70 -13.641 9.175 7.743 1.00 1.00 O ATOM 1079 CB ASP A 70 -15.701 9.697 5.232 1.00 1.00 C ATOM 1080 CG ASP A 70 -16.042 10.891 4.347 1.00 1.00 C ATOM 1081 OD1 ASP A 70 -15.181 11.733 4.157 1.00 1.00 O ATOM 1082 OD2 ASP A 70 -17.165 10.947 3.869 1.00 1.00 O ATOM 0 H ASP A 70 -14.165 8.919 3.490 1.00 1.00 H new ATOM 0 HA ASP A 70 -13.789 10.608 5.708 1.00 1.00 H new ATOM 0 HB2 ASP A 70 -16.052 8.777 4.765 1.00 1.00 H new ATOM 0 HB3 ASP A 70 -16.216 9.785 6.189 1.00 1.00 H new ATOM 1087 N ASP A 71 -13.985 7.369 6.438 1.00 1.00 N ATOM 1088 CA ASP A 71 -13.781 6.423 7.549 1.00 1.00 C ATOM 1089 C ASP A 71 -12.613 5.468 7.316 1.00 1.00 C ATOM 1090 O ASP A 71 -12.738 4.263 7.542 1.00 1.00 O ATOM 1091 CB ASP A 71 -15.063 5.624 7.783 1.00 1.00 C ATOM 1092 CG ASP A 71 -16.117 6.524 8.426 1.00 1.00 C ATOM 1093 OD1 ASP A 71 -15.861 7.023 9.519 1.00 1.00 O ATOM 1094 OD2 ASP A 71 -17.168 6.686 7.837 1.00 1.00 O ATOM 0 H ASP A 71 -14.191 6.936 5.538 1.00 1.00 H new ATOM 0 HA ASP A 71 -13.533 7.015 8.430 1.00 1.00 H new ATOM 0 HB2 ASP A 71 -15.435 5.229 6.838 1.00 1.00 H new ATOM 0 HB3 ASP A 71 -14.858 4.769 8.427 1.00 1.00 H new ATOM 1099 N VAL A 72 -11.479 6.007 6.883 1.00 1.00 N ATOM 1100 CA VAL A 72 -10.294 5.186 6.647 1.00 1.00 C ATOM 1101 C VAL A 72 -9.039 5.899 7.154 1.00 1.00 C ATOM 1102 O VAL A 72 -8.742 7.019 6.737 1.00 1.00 O ATOM 1103 CB VAL A 72 -10.164 4.889 5.145 1.00 1.00 C ATOM 1104 CG1 VAL A 72 -11.541 4.556 4.578 1.00 1.00 C ATOM 1105 CG2 VAL A 72 -9.595 6.106 4.413 1.00 1.00 C ATOM 0 H VAL A 72 -11.354 7.001 6.689 1.00 1.00 H new ATOM 0 HA VAL A 72 -10.399 4.248 7.192 1.00 1.00 H new ATOM 0 HB VAL A 72 -9.490 4.044 5.005 1.00 1.00 H new ATOM 0 HG11 VAL A 72 -11.454 4.344 3.512 1.00 1.00 H new ATOM 0 HG12 VAL A 72 -11.944 3.682 5.090 1.00 1.00 H new ATOM 0 HG13 VAL A 72 -12.210 5.403 4.726 1.00 1.00 H new ATOM 0 HG21 VAL A 72 -9.508 5.883 3.350 1.00 1.00 H new ATOM 0 HG22 VAL A 72 -10.261 6.958 4.552 1.00 1.00 H new ATOM 0 HG23 VAL A 72 -8.611 6.345 4.816 1.00 1.00 H new ATOM 1115 N SER A 73 -8.314 5.258 8.071 1.00 1.00 N ATOM 1116 CA SER A 73 -7.101 5.838 8.638 1.00 1.00 C ATOM 1117 C SER A 73 -6.121 4.704 8.958 1.00 1.00 C ATOM 1118 O SER A 73 -6.470 3.532 8.827 1.00 1.00 O ATOM 1119 CB SER A 73 -7.445 6.614 9.912 1.00 1.00 C ATOM 1120 OG SER A 73 -6.261 7.171 10.469 1.00 1.00 O ATOM 0 H SER A 73 -8.548 4.335 8.436 1.00 1.00 H new ATOM 0 HA SER A 73 -6.646 6.526 7.926 1.00 1.00 H new ATOM 0 HB2 SER A 73 -8.159 7.406 9.685 1.00 1.00 H new ATOM 0 HB3 SER A 73 -7.922 5.952 10.635 1.00 1.00 H new ATOM 0 HG SER A 73 -6.485 7.668 11.283 1.00 1.00 H new ATOM 1126 N LEU A 74 -4.881 5.044 9.293 1.00 1.00 N ATOM 1127 CA LEU A 74 -3.856 4.024 9.529 1.00 1.00 C ATOM 1128 C LEU A 74 -4.368 2.819 10.317 1.00 1.00 C ATOM 1129 O LEU A 74 -4.914 2.945 11.414 1.00 1.00 O ATOM 1130 CB LEU A 74 -2.676 4.650 10.289 1.00 1.00 C ATOM 1131 CG LEU A 74 -1.802 5.450 9.318 1.00 1.00 C ATOM 1132 CD1 LEU A 74 -0.812 6.301 10.123 1.00 1.00 C ATOM 1133 CD2 LEU A 74 -1.044 4.489 8.363 1.00 1.00 C ATOM 0 H LEU A 74 -4.560 6.005 9.407 1.00 1.00 H new ATOM 0 HA LEU A 74 -3.548 3.660 8.549 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -3.046 5.301 11.081 1.00 1.00 H new ATOM 0 HB3 LEU A 74 -2.084 3.870 10.768 1.00 1.00 H new ATOM 0 HG LEU A 74 -2.430 6.104 8.712 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -0.185 6.874 9.440 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -1.362 6.984 10.770 1.00 1.00 H new ATOM 0 HD13 LEU A 74 -0.184 5.650 10.732 1.00 1.00 H new ATOM 0 HD21 LEU A 74 -0.426 5.069 7.678 1.00 1.00 H new ATOM 0 HD22 LEU A 74 -0.410 3.822 8.947 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -1.763 3.900 7.793 1.00 1.00 H new ATOM 1145 N ASP A 75 -4.153 1.639 9.715 1.00 1.00 N ATOM 1146 CA ASP A 75 -4.547 0.358 10.307 1.00 1.00 C ATOM 1147 C ASP A 75 -3.332 -0.556 10.482 1.00 1.00 C ATOM 1148 O ASP A 75 -3.322 -1.413 11.366 1.00 1.00 O ATOM 1149 CB ASP A 75 -5.563 -0.344 9.409 1.00 1.00 C ATOM 1150 CG ASP A 75 -6.072 -1.613 10.092 1.00 1.00 C ATOM 1151 OD1 ASP A 75 -6.696 -1.492 11.134 1.00 1.00 O ATOM 1152 OD2 ASP A 75 -5.832 -2.685 9.561 1.00 1.00 O ATOM 0 H ASP A 75 -3.701 1.550 8.805 1.00 1.00 H new ATOM 0 HA ASP A 75 -4.989 0.561 11.283 1.00 1.00 H new ATOM 0 HB2 ASP A 75 -6.397 0.325 9.197 1.00 1.00 H new ATOM 0 HB3 ASP A 75 -5.104 -0.594 8.453 1.00 1.00 H new ATOM 1157 N GLN A 76 -2.297 -0.365 9.652 1.00 1.00 N ATOM 1158 CA GLN A 76 -1.082 -1.181 9.756 1.00 1.00 C ATOM 1159 C GLN A 76 0.120 -0.405 9.214 1.00 1.00 C ATOM 1160 O GLN A 76 -0.008 0.750 8.801 1.00 1.00 O ATOM 1161 CB GLN A 76 -1.251 -2.525 8.996 1.00 1.00 C ATOM 1162 CG GLN A 76 -0.940 -3.718 9.918 1.00 1.00 C ATOM 1163 CD GLN A 76 0.558 -3.777 10.207 1.00 1.00 C ATOM 1164 OE1 GLN A 76 1.026 -3.202 11.189 1.00 1.00 O ATOM 1165 NE2 GLN A 76 1.343 -4.439 9.399 1.00 1.00 N ATOM 0 H GLN A 76 -2.277 0.337 8.912 1.00 1.00 H new ATOM 0 HA GLN A 76 -0.908 -1.409 10.808 1.00 1.00 H new ATOM 0 HB2 GLN A 76 -2.270 -2.608 8.618 1.00 1.00 H new ATOM 0 HB3 GLN A 76 -0.587 -2.545 8.132 1.00 1.00 H new ATOM 0 HG2 GLN A 76 -1.495 -3.622 10.851 1.00 1.00 H new ATOM 0 HG3 GLN A 76 -1.265 -4.646 9.448 1.00 1.00 H new ATOM 0 HE21 GLN A 76 0.953 -4.915 8.585 1.00 1.00 H new ATOM 0 HE22 GLN A 76 2.346 -4.480 9.582 1.00 1.00 H new ATOM 1174 N ILE A 77 1.278 -1.068 9.195 1.00 1.00 N ATOM 1175 CA ILE A 77 2.520 -0.471 8.694 1.00 1.00 C ATOM 1176 C ILE A 77 3.428 -1.561 8.114 1.00 1.00 C ATOM 1177 O ILE A 77 3.717 -2.560 8.774 1.00 1.00 O ATOM 1178 CB ILE A 77 3.248 0.285 9.832 1.00 1.00 C ATOM 1179 CG1 ILE A 77 2.490 1.590 10.154 1.00 1.00 C ATOM 1180 CG2 ILE A 77 4.714 0.597 9.436 1.00 1.00 C ATOM 1181 CD1 ILE A 77 3.128 2.284 11.360 1.00 1.00 C ATOM 0 H ILE A 77 1.382 -2.028 9.524 1.00 1.00 H new ATOM 0 HA ILE A 77 2.276 0.241 7.905 1.00 1.00 H new ATOM 0 HB ILE A 77 3.266 -0.349 10.719 1.00 1.00 H new ATOM 0 HG12 ILE A 77 2.510 2.254 9.290 1.00 1.00 H new ATOM 0 HG13 ILE A 77 1.443 1.370 10.363 1.00 1.00 H new ATOM 0 HG21 ILE A 77 5.206 1.128 10.251 1.00 1.00 H new ATOM 0 HG22 ILE A 77 5.244 -0.335 9.239 1.00 1.00 H new ATOM 0 HG23 ILE A 77 4.725 1.217 8.540 1.00 1.00 H new ATOM 0 HD11 ILE A 77 2.586 3.204 11.579 1.00 1.00 H new ATOM 0 HD12 ILE A 77 3.085 1.622 12.225 1.00 1.00 H new ATOM 0 HD13 ILE A 77 4.168 2.521 11.135 1.00 1.00 H new ATOM 1193 N VAL A 78 3.883 -1.347 6.880 1.00 1.00 N ATOM 1194 CA VAL A 78 4.773 -2.294 6.202 1.00 1.00 C ATOM 1195 C VAL A 78 5.884 -1.521 5.488 1.00 1.00 C ATOM 1196 O VAL A 78 5.732 -1.152 4.328 1.00 1.00 O ATOM 1197 CB VAL A 78 3.985 -3.109 5.174 1.00 1.00 C ATOM 1198 CG1 VAL A 78 4.895 -4.183 4.570 1.00 1.00 C ATOM 1199 CG2 VAL A 78 2.795 -3.783 5.864 1.00 1.00 C ATOM 0 H VAL A 78 3.650 -0.523 6.326 1.00 1.00 H new ATOM 0 HA VAL A 78 5.206 -2.970 6.940 1.00 1.00 H new ATOM 0 HB VAL A 78 3.625 -2.449 4.385 1.00 1.00 H new ATOM 0 HG11 VAL A 78 4.335 -4.764 3.838 1.00 1.00 H new ATOM 0 HG12 VAL A 78 5.745 -3.707 4.082 1.00 1.00 H new ATOM 0 HG13 VAL A 78 5.253 -4.843 5.360 1.00 1.00 H new ATOM 0 HG21 VAL A 78 2.232 -4.364 5.133 1.00 1.00 H new ATOM 0 HG22 VAL A 78 3.157 -4.444 6.652 1.00 1.00 H new ATOM 0 HG23 VAL A 78 2.147 -3.022 6.299 1.00 1.00 H new ATOM 1209 N PRO A 79 6.974 -1.235 6.154 1.00 1.00 N ATOM 1210 CA PRO A 79 8.085 -0.453 5.553 1.00 1.00 C ATOM 1211 C PRO A 79 9.000 -1.300 4.680 1.00 1.00 C ATOM 1212 O PRO A 79 9.280 -2.458 4.992 1.00 1.00 O ATOM 1213 CB PRO A 79 8.821 0.098 6.776 1.00 1.00 C ATOM 1214 CG PRO A 79 8.620 -0.932 7.846 1.00 1.00 C ATOM 1215 CD PRO A 79 7.283 -1.632 7.541 1.00 1.00 C ATOM 0 HA PRO A 79 7.726 0.323 4.877 1.00 1.00 H new ATOM 0 HB2 PRO A 79 9.880 0.247 6.565 1.00 1.00 H new ATOM 0 HB3 PRO A 79 8.417 1.064 7.078 1.00 1.00 H new ATOM 0 HG2 PRO A 79 9.440 -1.650 7.851 1.00 1.00 H new ATOM 0 HG3 PRO A 79 8.597 -0.467 8.832 1.00 1.00 H new ATOM 0 HD2 PRO A 79 7.370 -2.714 7.635 1.00 1.00 H new ATOM 0 HD3 PRO A 79 6.501 -1.314 8.230 1.00 1.00 H new ATOM 1223 N LEU A 80 9.446 -0.716 3.576 1.00 1.00 N ATOM 1224 CA LEU A 80 10.309 -1.418 2.647 1.00 1.00 C ATOM 1225 C LEU A 80 11.624 -1.812 3.304 1.00 1.00 C ATOM 1226 O LEU A 80 12.346 -0.981 3.852 1.00 1.00 O ATOM 1227 CB LEU A 80 10.587 -0.515 1.445 1.00 1.00 C ATOM 1228 CG LEU A 80 9.300 -0.338 0.626 1.00 1.00 C ATOM 1229 CD1 LEU A 80 9.495 0.803 -0.376 1.00 1.00 C ATOM 1230 CD2 LEU A 80 8.952 -1.640 -0.129 1.00 1.00 C ATOM 0 H LEU A 80 9.222 0.242 3.306 1.00 1.00 H new ATOM 0 HA LEU A 80 9.806 -2.330 2.327 1.00 1.00 H new ATOM 0 HB2 LEU A 80 10.952 0.455 1.783 1.00 1.00 H new ATOM 0 HB3 LEU A 80 11.369 -0.951 0.823 1.00 1.00 H new ATOM 0 HG LEU A 80 8.479 -0.102 1.303 1.00 1.00 H new ATOM 0 HD11 LEU A 80 8.584 0.933 -0.961 1.00 1.00 H new ATOM 0 HD12 LEU A 80 9.717 1.725 0.161 1.00 1.00 H new ATOM 0 HD13 LEU A 80 10.323 0.564 -1.043 1.00 1.00 H new ATOM 0 HD21 LEU A 80 8.037 -1.494 -0.703 1.00 1.00 H new ATOM 0 HD22 LEU A 80 9.767 -1.898 -0.805 1.00 1.00 H new ATOM 0 HD23 LEU A 80 8.806 -2.448 0.588 1.00 1.00 H new ATOM 1242 N SER A 81 11.908 -3.107 3.233 1.00 1.00 N ATOM 1243 CA SER A 81 13.126 -3.674 3.809 1.00 1.00 C ATOM 1244 C SER A 81 13.787 -4.611 2.808 1.00 1.00 C ATOM 1245 O SER A 81 13.184 -4.994 1.815 1.00 1.00 O ATOM 1246 CB SER A 81 12.792 -4.447 5.085 1.00 1.00 C ATOM 1247 OG SER A 81 12.129 -5.656 4.740 1.00 1.00 O ATOM 0 H SER A 81 11.305 -3.792 2.777 1.00 1.00 H new ATOM 0 HA SER A 81 13.811 -2.861 4.050 1.00 1.00 H new ATOM 0 HB2 SER A 81 13.704 -4.664 5.642 1.00 1.00 H new ATOM 0 HB3 SER A 81 12.158 -3.843 5.735 1.00 1.00 H new ATOM 0 HG SER A 81 12.031 -6.215 5.539 1.00 1.00 H new ATOM 1253 N LYS A 82 15.039 -4.954 3.053 1.00 1.00 N ATOM 1254 CA LYS A 82 15.761 -5.822 2.136 1.00 1.00 C ATOM 1255 C LYS A 82 14.997 -7.125 1.911 1.00 1.00 C ATOM 1256 O LYS A 82 14.899 -7.606 0.783 1.00 1.00 O ATOM 1257 CB LYS A 82 17.148 -6.125 2.695 1.00 1.00 C ATOM 1258 CG LYS A 82 17.950 -6.929 1.672 1.00 1.00 C ATOM 1259 CD LYS A 82 19.358 -7.172 2.212 1.00 1.00 C ATOM 1260 CE LYS A 82 20.171 -7.963 1.187 1.00 1.00 C ATOM 1261 NZ LYS A 82 21.548 -8.182 1.711 1.00 1.00 N ATOM 0 H LYS A 82 15.573 -4.650 3.868 1.00 1.00 H new ATOM 0 HA LYS A 82 15.860 -5.309 1.179 1.00 1.00 H new ATOM 0 HB2 LYS A 82 17.667 -5.196 2.930 1.00 1.00 H new ATOM 0 HB3 LYS A 82 17.061 -6.686 3.626 1.00 1.00 H new ATOM 0 HG2 LYS A 82 17.456 -7.880 1.472 1.00 1.00 H new ATOM 0 HG3 LYS A 82 17.999 -6.390 0.726 1.00 1.00 H new ATOM 0 HD2 LYS A 82 19.847 -6.221 2.423 1.00 1.00 H new ATOM 0 HD3 LYS A 82 19.308 -7.720 3.153 1.00 1.00 H new ATOM 0 HE2 LYS A 82 19.690 -8.920 0.985 1.00 1.00 H new ATOM 0 HE3 LYS A 82 20.211 -7.421 0.242 1.00 1.00 H new ATOM 0 HZ1 LYS A 82 22.103 -8.720 1.015 1.00 1.00 H new ATOM 0 HZ2 LYS A 82 22.005 -7.263 1.882 1.00 1.00 H new ATOM 0 HZ3 LYS A 82 21.499 -8.716 2.602 1.00 1.00 H new ATOM 1275 N ASP A 83 14.456 -7.696 2.982 1.00 1.00 N ATOM 1276 CA ASP A 83 13.706 -8.943 2.873 1.00 1.00 C ATOM 1277 C ASP A 83 12.434 -8.740 2.044 1.00 1.00 C ATOM 1278 O ASP A 83 11.742 -9.701 1.707 1.00 1.00 O ATOM 1279 CB ASP A 83 13.346 -9.443 4.273 1.00 1.00 C ATOM 1280 CG ASP A 83 12.834 -8.285 5.121 1.00 1.00 C ATOM 1281 OD1 ASP A 83 11.640 -8.038 5.095 1.00 1.00 O ATOM 1282 OD2 ASP A 83 13.642 -7.660 5.787 1.00 1.00 O ATOM 0 H ASP A 83 14.521 -7.320 3.928 1.00 1.00 H new ATOM 0 HA ASP A 83 14.326 -9.685 2.369 1.00 1.00 H new ATOM 0 HB2 ASP A 83 12.585 -10.221 4.206 1.00 1.00 H new ATOM 0 HB3 ASP A 83 14.220 -9.892 4.744 1.00 1.00 H new ATOM 1287 N PHE A 84 12.149 -7.484 1.698 1.00 1.00 N ATOM 1288 CA PHE A 84 10.978 -7.158 0.886 1.00 1.00 C ATOM 1289 C PHE A 84 11.162 -7.734 -0.513 1.00 1.00 C ATOM 1290 O PHE A 84 12.250 -7.661 -1.086 1.00 1.00 O ATOM 1291 CB PHE A 84 10.806 -5.636 0.805 1.00 1.00 C ATOM 1292 CG PHE A 84 9.464 -5.264 0.212 1.00 1.00 C ATOM 1293 CD1 PHE A 84 9.313 -5.180 -1.176 1.00 1.00 C ATOM 1294 CD2 PHE A 84 8.380 -4.970 1.051 1.00 1.00 C ATOM 1295 CE1 PHE A 84 8.082 -4.808 -1.726 1.00 1.00 C ATOM 1296 CE2 PHE A 84 7.149 -4.593 0.500 1.00 1.00 C ATOM 1297 CZ PHE A 84 7.000 -4.511 -0.888 1.00 1.00 C ATOM 0 H PHE A 84 12.713 -6.678 1.967 1.00 1.00 H new ATOM 0 HA PHE A 84 10.087 -7.589 1.343 1.00 1.00 H new ATOM 0 HB2 PHE A 84 10.898 -5.204 1.802 1.00 1.00 H new ATOM 0 HB3 PHE A 84 11.605 -5.210 0.198 1.00 1.00 H new ATOM 0 HD1 PHE A 84 10.148 -5.403 -1.824 1.00 1.00 H new ATOM 0 HD2 PHE A 84 8.494 -5.034 2.123 1.00 1.00 H new ATOM 0 HE1 PHE A 84 7.966 -4.750 -2.798 1.00 1.00 H new ATOM 0 HE2 PHE A 84 6.315 -4.366 1.147 1.00 1.00 H new ATOM 0 HZ PHE A 84 6.051 -4.219 -1.313 1.00 1.00 H new ATOM 1307 N MET A 85 10.093 -8.282 -1.068 1.00 1.00 N ATOM 1308 CA MET A 85 10.137 -8.844 -2.411 1.00 1.00 C ATOM 1309 C MET A 85 8.723 -9.117 -2.897 1.00 1.00 C ATOM 1310 O MET A 85 7.879 -9.581 -2.134 1.00 1.00 O ATOM 1311 CB MET A 85 10.946 -10.144 -2.430 1.00 1.00 C ATOM 1312 CG MET A 85 11.045 -10.661 -3.869 1.00 1.00 C ATOM 1313 SD MET A 85 12.080 -12.146 -3.912 1.00 1.00 S ATOM 1314 CE MET A 85 10.983 -13.232 -2.964 1.00 1.00 C ATOM 0 H MET A 85 9.184 -8.350 -0.611 1.00 1.00 H new ATOM 0 HA MET A 85 10.621 -8.124 -3.071 1.00 1.00 H new ATOM 0 HB2 MET A 85 11.943 -9.971 -2.025 1.00 1.00 H new ATOM 0 HB3 MET A 85 10.469 -10.891 -1.795 1.00 1.00 H new ATOM 0 HG2 MET A 85 10.051 -10.887 -4.254 1.00 1.00 H new ATOM 0 HG3 MET A 85 11.469 -9.891 -4.514 1.00 1.00 H new ATOM 0 HE1 MET A 85 11.039 -14.245 -3.363 1.00 1.00 H new ATOM 0 HE2 MET A 85 11.291 -13.237 -1.918 1.00 1.00 H new ATOM 0 HE3 MET A 85 9.958 -12.869 -3.039 1.00 1.00 H new ATOM 1324 N LEU A 86 8.464 -8.838 -4.167 1.00 1.00 N ATOM 1325 CA LEU A 86 7.139 -9.072 -4.740 1.00 1.00 C ATOM 1326 C LEU A 86 7.187 -10.328 -5.601 1.00 1.00 C ATOM 1327 O LEU A 86 8.083 -10.473 -6.434 1.00 1.00 O ATOM 1328 CB LEU A 86 6.709 -7.856 -5.589 1.00 1.00 C ATOM 1329 CG LEU A 86 7.340 -6.562 -5.022 1.00 1.00 C ATOM 1330 CD1 LEU A 86 8.722 -6.307 -5.668 1.00 1.00 C ATOM 1331 CD2 LEU A 86 6.415 -5.366 -5.303 1.00 1.00 C ATOM 0 H LEU A 86 9.147 -8.452 -4.819 1.00 1.00 H new ATOM 0 HA LEU A 86 6.411 -9.208 -3.941 1.00 1.00 H new ATOM 0 HB2 LEU A 86 7.019 -7.998 -6.624 1.00 1.00 H new ATOM 0 HB3 LEU A 86 5.622 -7.770 -5.591 1.00 1.00 H new ATOM 0 HG LEU A 86 7.469 -6.680 -3.946 1.00 1.00 H new ATOM 0 HD11 LEU A 86 9.152 -5.393 -5.258 1.00 1.00 H new ATOM 0 HD12 LEU A 86 9.384 -7.147 -5.455 1.00 1.00 H new ATOM 0 HD13 LEU A 86 8.606 -6.201 -6.747 1.00 1.00 H new ATOM 0 HD21 LEU A 86 6.863 -4.457 -4.902 1.00 1.00 H new ATOM 0 HD22 LEU A 86 6.276 -5.258 -6.379 1.00 1.00 H new ATOM 0 HD23 LEU A 86 5.449 -5.534 -4.828 1.00 1.00 H new ATOM 1343 N GLU A 87 6.238 -11.243 -5.397 1.00 1.00 N ATOM 1344 CA GLU A 87 6.205 -12.490 -6.166 1.00 1.00 C ATOM 1345 C GLU A 87 4.915 -12.604 -6.961 1.00 1.00 C ATOM 1346 O GLU A 87 3.818 -12.549 -6.404 1.00 1.00 O ATOM 1347 CB GLU A 87 6.313 -13.688 -5.219 1.00 1.00 C ATOM 1348 CG GLU A 87 7.695 -13.698 -4.563 1.00 1.00 C ATOM 1349 CD GLU A 87 7.797 -14.860 -3.581 1.00 1.00 C ATOM 1350 OE1 GLU A 87 6.838 -15.606 -3.472 1.00 1.00 O ATOM 1351 OE2 GLU A 87 8.833 -14.987 -2.950 1.00 1.00 O ATOM 0 H GLU A 87 5.488 -11.147 -4.712 1.00 1.00 H new ATOM 0 HA GLU A 87 7.048 -12.483 -6.857 1.00 1.00 H new ATOM 0 HB2 GLU A 87 5.537 -13.633 -4.456 1.00 1.00 H new ATOM 0 HB3 GLU A 87 6.153 -14.615 -5.769 1.00 1.00 H new ATOM 0 HG2 GLU A 87 8.468 -13.787 -5.326 1.00 1.00 H new ATOM 0 HG3 GLU A 87 7.867 -12.755 -4.043 1.00 1.00 H new ATOM 1358 N GLU A 88 5.061 -12.795 -8.263 1.00 1.00 N ATOM 1359 CA GLU A 88 3.905 -12.952 -9.129 1.00 1.00 C ATOM 1360 C GLU A 88 3.257 -14.302 -8.854 1.00 1.00 C ATOM 1361 O GLU A 88 3.952 -15.279 -8.576 1.00 1.00 O ATOM 1362 CB GLU A 88 4.330 -12.874 -10.600 1.00 1.00 C ATOM 1363 CG GLU A 88 4.830 -11.463 -10.927 1.00 1.00 C ATOM 1364 CD GLU A 88 3.683 -10.463 -10.816 1.00 1.00 C ATOM 1365 OE1 GLU A 88 2.543 -10.888 -10.881 1.00 1.00 O ATOM 1366 OE2 GLU A 88 3.964 -9.284 -10.673 1.00 1.00 O ATOM 0 H GLU A 88 5.961 -12.845 -8.740 1.00 1.00 H new ATOM 0 HA GLU A 88 3.193 -12.151 -8.928 1.00 1.00 H new ATOM 0 HB2 GLU A 88 5.116 -13.602 -10.799 1.00 1.00 H new ATOM 0 HB3 GLU A 88 3.489 -13.129 -11.244 1.00 1.00 H new ATOM 0 HG2 GLU A 88 5.633 -11.185 -10.244 1.00 1.00 H new ATOM 0 HG3 GLU A 88 5.247 -11.440 -11.934 1.00 1.00 H new ATOM 1373 N VAL A 89 1.929 -14.364 -8.947 1.00 1.00 N ATOM 1374 CA VAL A 89 1.205 -15.627 -8.719 1.00 1.00 C ATOM 1375 C VAL A 89 0.529 -16.086 -10.005 1.00 1.00 C ATOM 1376 O VAL A 89 -0.169 -15.316 -10.661 1.00 1.00 O ATOM 1377 CB VAL A 89 0.145 -15.453 -7.632 1.00 1.00 C ATOM 1378 CG1 VAL A 89 -0.238 -16.816 -7.048 1.00 1.00 C ATOM 1379 CG2 VAL A 89 0.693 -14.558 -6.526 1.00 1.00 C ATOM 0 H VAL A 89 1.333 -13.568 -9.175 1.00 1.00 H new ATOM 0 HA VAL A 89 1.928 -16.377 -8.397 1.00 1.00 H new ATOM 0 HB VAL A 89 -0.741 -14.993 -8.069 1.00 1.00 H new ATOM 0 HG11 VAL A 89 -0.994 -16.681 -6.274 1.00 1.00 H new ATOM 0 HG12 VAL A 89 -0.637 -17.451 -7.839 1.00 1.00 H new ATOM 0 HG13 VAL A 89 0.644 -17.287 -6.615 1.00 1.00 H new ATOM 0 HG21 VAL A 89 -0.063 -14.434 -5.751 1.00 1.00 H new ATOM 0 HG22 VAL A 89 1.583 -15.016 -6.095 1.00 1.00 H new ATOM 0 HG23 VAL A 89 0.951 -13.584 -6.941 1.00 1.00 H new ATOM 1389 N SER A 90 0.739 -17.348 -10.345 1.00 1.00 N ATOM 1390 CA SER A 90 0.151 -17.930 -11.551 1.00 1.00 C ATOM 1391 C SER A 90 -1.341 -17.576 -11.653 1.00 1.00 C ATOM 1392 O SER A 90 -2.152 -18.135 -10.912 1.00 1.00 O ATOM 1393 CB SER A 90 0.304 -19.450 -11.514 1.00 1.00 C ATOM 1394 OG SER A 90 1.670 -19.788 -11.718 1.00 1.00 O ATOM 0 H SER A 90 1.313 -17.994 -9.804 1.00 1.00 H new ATOM 0 HA SER A 90 0.671 -17.524 -12.419 1.00 1.00 H new ATOM 0 HB2 SER A 90 -0.040 -19.839 -10.556 1.00 1.00 H new ATOM 0 HB3 SER A 90 -0.315 -19.909 -12.285 1.00 1.00 H new ATOM 0 HG SER A 90 1.773 -20.762 -11.693 1.00 1.00 H new ATOM 1533 N SER A 100 -7.940 -5.722 -16.285 1.00 1.00 N ATOM 1534 CA SER A 100 -8.710 -4.886 -15.363 1.00 1.00 C ATOM 1535 C SER A 100 -8.459 -5.353 -13.931 1.00 1.00 C ATOM 1536 O SER A 100 -9.223 -5.052 -13.013 1.00 1.00 O ATOM 1537 CB SER A 100 -10.199 -4.974 -15.704 1.00 1.00 C ATOM 1538 OG SER A 100 -10.700 -6.242 -15.303 1.00 1.00 O ATOM 0 HA SER A 100 -8.396 -3.847 -15.457 1.00 1.00 H new ATOM 0 HB2 SER A 100 -10.747 -4.178 -15.200 1.00 1.00 H new ATOM 0 HB3 SER A 100 -10.347 -4.834 -16.775 1.00 1.00 H new ATOM 0 HG SER A 100 -11.654 -6.300 -15.519 1.00 1.00 H new ATOM 1544 N ASP A 101 -7.357 -6.077 -13.769 1.00 1.00 N ATOM 1545 CA ASP A 101 -6.940 -6.596 -12.469 1.00 1.00 C ATOM 1546 C ASP A 101 -5.493 -7.069 -12.550 1.00 1.00 C ATOM 1547 O ASP A 101 -5.014 -7.430 -13.624 1.00 1.00 O ATOM 1548 CB ASP A 101 -7.840 -7.760 -12.039 1.00 1.00 C ATOM 1549 CG ASP A 101 -7.909 -8.809 -13.144 1.00 1.00 C ATOM 1550 OD1 ASP A 101 -7.580 -8.478 -14.271 1.00 1.00 O ATOM 1551 OD2 ASP A 101 -8.294 -9.928 -12.847 1.00 1.00 O ATOM 0 H ASP A 101 -6.727 -6.321 -14.533 1.00 1.00 H new ATOM 0 HA ASP A 101 -7.025 -5.799 -11.730 1.00 1.00 H new ATOM 0 HB2 ASP A 101 -7.453 -8.210 -11.124 1.00 1.00 H new ATOM 0 HB3 ASP A 101 -8.841 -7.392 -11.814 1.00 1.00 H new ATOM 1556 N VAL A 102 -4.800 -7.075 -11.412 1.00 1.00 N ATOM 1557 CA VAL A 102 -3.404 -7.522 -11.369 1.00 1.00 C ATOM 1558 C VAL A 102 -3.188 -8.412 -10.158 1.00 1.00 C ATOM 1559 O VAL A 102 -3.800 -8.206 -9.120 1.00 1.00 O ATOM 1560 CB VAL A 102 -2.446 -6.323 -11.313 1.00 1.00 C ATOM 1561 CG1 VAL A 102 -2.412 -5.727 -9.902 1.00 1.00 C ATOM 1562 CG2 VAL A 102 -1.034 -6.778 -11.700 1.00 1.00 C ATOM 0 H VAL A 102 -5.177 -6.778 -10.512 1.00 1.00 H new ATOM 0 HA VAL A 102 -3.194 -8.086 -12.278 1.00 1.00 H new ATOM 0 HB VAL A 102 -2.798 -5.563 -12.011 1.00 1.00 H new ATOM 0 HG11 VAL A 102 -1.728 -4.879 -9.882 1.00 1.00 H new ATOM 0 HG12 VAL A 102 -3.412 -5.394 -9.624 1.00 1.00 H new ATOM 0 HG13 VAL A 102 -2.072 -6.484 -9.195 1.00 1.00 H new ATOM 0 HG21 VAL A 102 -0.354 -5.927 -11.660 1.00 1.00 H new ATOM 0 HG22 VAL A 102 -0.696 -7.546 -11.004 1.00 1.00 H new ATOM 0 HG23 VAL A 102 -1.047 -7.185 -12.711 1.00 1.00 H new ATOM 1572 N THR A 103 -2.302 -9.387 -10.294 1.00 1.00 N ATOM 1573 CA THR A 103 -2.005 -10.297 -9.186 1.00 1.00 C ATOM 1574 C THR A 103 -0.595 -10.063 -8.670 1.00 1.00 C ATOM 1575 O THR A 103 0.391 -10.343 -9.353 1.00 1.00 O ATOM 1576 CB THR A 103 -2.152 -11.750 -9.648 1.00 1.00 C ATOM 1577 OG1 THR A 103 -3.363 -11.890 -10.376 1.00 1.00 O ATOM 1578 CG2 THR A 103 -2.183 -12.678 -8.431 1.00 1.00 C ATOM 0 H THR A 103 -1.778 -9.572 -11.149 1.00 1.00 H new ATOM 0 HA THR A 103 -2.711 -10.103 -8.379 1.00 1.00 H new ATOM 0 HB THR A 103 -1.307 -12.015 -10.283 1.00 1.00 H new ATOM 0 HG1 THR A 103 -4.048 -11.307 -9.987 1.00 1.00 H new ATOM 0 HG21 THR A 103 -2.288 -13.711 -8.764 1.00 1.00 H new ATOM 0 HG22 THR A 103 -1.256 -12.570 -7.868 1.00 1.00 H new ATOM 0 HG23 THR A 103 -3.027 -12.415 -7.794 1.00 1.00 H new ATOM 1586 N VAL A 104 -0.516 -9.552 -7.447 1.00 1.00 N ATOM 1587 CA VAL A 104 0.762 -9.273 -6.800 1.00 1.00 C ATOM 1588 C VAL A 104 0.759 -9.859 -5.390 1.00 1.00 C ATOM 1589 O VAL A 104 -0.210 -9.703 -4.649 1.00 1.00 O ATOM 1590 CB VAL A 104 0.987 -7.752 -6.744 1.00 1.00 C ATOM 1591 CG1 VAL A 104 0.073 -7.127 -5.684 1.00 1.00 C ATOM 1592 CG2 VAL A 104 2.447 -7.461 -6.387 1.00 1.00 C ATOM 0 H VAL A 104 -1.330 -9.320 -6.878 1.00 1.00 H new ATOM 0 HA VAL A 104 1.570 -9.730 -7.371 1.00 1.00 H new ATOM 0 HB VAL A 104 0.755 -7.323 -7.719 1.00 1.00 H new ATOM 0 HG11 VAL A 104 0.238 -6.050 -5.650 1.00 1.00 H new ATOM 0 HG12 VAL A 104 -0.968 -7.327 -5.938 1.00 1.00 H new ATOM 0 HG13 VAL A 104 0.298 -7.559 -4.709 1.00 1.00 H new ATOM 0 HG21 VAL A 104 2.604 -6.383 -6.348 1.00 1.00 H new ATOM 0 HG22 VAL A 104 2.678 -7.897 -5.415 1.00 1.00 H new ATOM 0 HG23 VAL A 104 3.100 -7.896 -7.144 1.00 1.00 H new ATOM 1602 N GLN A 105 1.846 -10.531 -5.026 1.00 1.00 N ATOM 1603 CA GLN A 105 1.965 -11.141 -3.694 1.00 1.00 C ATOM 1604 C GLN A 105 3.156 -10.554 -2.945 1.00 1.00 C ATOM 1605 O GLN A 105 4.297 -10.742 -3.359 1.00 1.00 O ATOM 1606 CB GLN A 105 2.146 -12.656 -3.853 1.00 1.00 C ATOM 1607 CG GLN A 105 1.782 -13.376 -2.551 1.00 1.00 C ATOM 1608 CD GLN A 105 2.780 -13.012 -1.458 1.00 1.00 C ATOM 1609 OE1 GLN A 105 3.904 -13.506 -1.459 1.00 1.00 O ATOM 1610 NE2 GLN A 105 2.437 -12.169 -0.523 1.00 1.00 N ATOM 0 H GLN A 105 2.658 -10.670 -5.628 1.00 1.00 H new ATOM 0 HA GLN A 105 1.061 -10.934 -3.121 1.00 1.00 H new ATOM 0 HB2 GLN A 105 1.518 -13.021 -4.666 1.00 1.00 H new ATOM 0 HB3 GLN A 105 3.178 -12.879 -4.123 1.00 1.00 H new ATOM 0 HG2 GLN A 105 0.774 -13.099 -2.242 1.00 1.00 H new ATOM 0 HG3 GLN A 105 1.781 -14.454 -2.710 1.00 1.00 H new ATOM 0 HE21 GLN A 105 1.503 -11.759 -0.523 1.00 1.00 H new ATOM 0 HE22 GLN A 105 3.103 -11.920 0.208 1.00 1.00 H new ATOM 1619 N LEU A 106 2.899 -9.821 -1.855 1.00 1.00 N ATOM 1620 CA LEU A 106 3.981 -9.203 -1.095 1.00 1.00 C ATOM 1621 C LEU A 106 4.643 -10.209 -0.157 1.00 1.00 C ATOM 1622 O LEU A 106 4.005 -10.749 0.736 1.00 1.00 O ATOM 1623 CB LEU A 106 3.410 -8.063 -0.257 1.00 1.00 C ATOM 1624 CG LEU A 106 2.611 -7.105 -1.146 1.00 1.00 C ATOM 1625 CD1 LEU A 106 2.005 -5.996 -0.280 1.00 1.00 C ATOM 1626 CD2 LEU A 106 3.529 -6.485 -2.211 1.00 1.00 C ATOM 0 H LEU A 106 1.964 -9.645 -1.487 1.00 1.00 H new ATOM 0 HA LEU A 106 4.728 -8.836 -1.799 1.00 1.00 H new ATOM 0 HB2 LEU A 106 2.768 -8.464 0.527 1.00 1.00 H new ATOM 0 HB3 LEU A 106 4.218 -7.524 0.237 1.00 1.00 H new ATOM 0 HG LEU A 106 1.815 -7.658 -1.644 1.00 1.00 H new ATOM 0 HD11 LEU A 106 1.436 -5.313 -0.910 1.00 1.00 H new ATOM 0 HD12 LEU A 106 1.344 -6.437 0.466 1.00 1.00 H new ATOM 0 HD13 LEU A 106 2.803 -5.448 0.221 1.00 1.00 H new ATOM 0 HD21 LEU A 106 2.952 -5.805 -2.838 1.00 1.00 H new ATOM 0 HD22 LEU A 106 4.332 -5.934 -1.722 1.00 1.00 H new ATOM 0 HD23 LEU A 106 3.955 -7.275 -2.829 1.00 1.00 H new ATOM 1638 N ASN A 107 5.920 -10.473 -0.402 1.00 1.00 N ATOM 1639 CA ASN A 107 6.668 -11.450 0.406 1.00 1.00 C ATOM 1640 C ASN A 107 7.665 -10.795 1.349 1.00 1.00 C ATOM 1641 O ASN A 107 8.872 -10.992 1.209 1.00 1.00 O ATOM 1642 CB ASN A 107 7.415 -12.416 -0.501 1.00 1.00 C ATOM 1643 CG ASN A 107 6.456 -13.009 -1.512 1.00 1.00 C ATOM 1644 OD1 ASN A 107 5.892 -12.223 -2.380 1.00 1.00 O flip ATOM 1645 ND2 ASN A 107 6.205 -14.215 -1.505 1.00 1.00 N flip ATOM 0 H ASN A 107 6.463 -10.033 -1.145 1.00 1.00 H new ATOM 0 HA ASN A 107 5.932 -11.979 1.011 1.00 1.00 H new ATOM 0 HB2 ASN A 107 8.225 -11.897 -1.014 1.00 1.00 H new ATOM 0 HB3 ASN A 107 7.870 -13.209 0.092 1.00 1.00 H new ATOM 0 HD21 ASN A 107 6.652 -14.825 -0.820 1.00 1.00 H new ATOM 0 HD22 ASN A 107 5.550 -14.604 -2.184 1.00 1.00 H new ATOM 1652 N THR A 108 7.173 -10.039 2.327 1.00 1.00 N ATOM 1653 CA THR A 108 8.067 -9.401 3.288 1.00 1.00 C ATOM 1654 C THR A 108 8.428 -10.391 4.396 1.00 1.00 C ATOM 1655 O THR A 108 7.942 -11.522 4.422 1.00 1.00 O ATOM 1656 CB THR A 108 7.401 -8.145 3.892 1.00 1.00 C ATOM 1657 OG1 THR A 108 6.460 -7.625 2.963 1.00 1.00 O ATOM 1658 CG2 THR A 108 8.449 -7.068 4.209 1.00 1.00 C ATOM 0 H THR A 108 6.180 -9.856 2.474 1.00 1.00 H new ATOM 0 HA THR A 108 8.977 -9.095 2.773 1.00 1.00 H new ATOM 0 HB THR A 108 6.902 -8.426 4.819 1.00 1.00 H new ATOM 0 HG1 THR A 108 6.033 -6.828 3.341 1.00 1.00 H new ATOM 0 HG21 THR A 108 7.955 -6.194 4.633 1.00 1.00 H new ATOM 0 HG22 THR A 108 9.170 -7.461 4.926 1.00 1.00 H new ATOM 0 HG23 THR A 108 8.967 -6.784 3.293 1.00 1.00 H new ATOM 1666 N ALA A 109 9.301 -9.954 5.289 1.00 1.00 N ATOM 1667 CA ALA A 109 9.762 -10.794 6.386 1.00 1.00 C ATOM 1668 C ALA A 109 8.607 -11.258 7.276 1.00 1.00 C ATOM 1669 O ALA A 109 8.583 -12.410 7.711 1.00 1.00 O ATOM 1670 CB ALA A 109 10.777 -10.015 7.228 1.00 1.00 C ATOM 0 H ALA A 109 9.707 -9.018 5.277 1.00 1.00 H new ATOM 0 HA ALA A 109 10.226 -11.682 5.957 1.00 1.00 H new ATOM 0 HB1 ALA A 109 11.124 -10.641 8.050 1.00 1.00 H new ATOM 0 HB2 ALA A 109 11.625 -9.731 6.605 1.00 1.00 H new ATOM 0 HB3 ALA A 109 10.305 -9.118 7.629 1.00 1.00 H new ATOM 1676 N GLU A 110 7.656 -10.366 7.555 1.00 1.00 N ATOM 1677 CA GLU A 110 6.513 -10.709 8.410 1.00 1.00 C ATOM 1678 C GLU A 110 5.206 -10.343 7.725 1.00 1.00 C ATOM 1679 O GLU A 110 4.186 -10.135 8.382 1.00 1.00 O ATOM 1680 CB GLU A 110 6.624 -9.954 9.738 1.00 1.00 C ATOM 1681 CG GLU A 110 6.375 -8.459 9.508 1.00 1.00 C ATOM 1682 CD GLU A 110 6.752 -7.672 10.757 1.00 1.00 C ATOM 1683 OE1 GLU A 110 6.538 -8.184 11.845 1.00 1.00 O ATOM 1684 OE2 GLU A 110 7.252 -6.568 10.611 1.00 1.00 O ATOM 0 H GLU A 110 7.651 -9.408 7.206 1.00 1.00 H new ATOM 0 HA GLU A 110 6.523 -11.783 8.594 1.00 1.00 H new ATOM 0 HB2 GLU A 110 5.900 -10.347 10.452 1.00 1.00 H new ATOM 0 HB3 GLU A 110 7.613 -10.105 10.171 1.00 1.00 H new ATOM 0 HG2 GLU A 110 6.961 -8.111 8.657 1.00 1.00 H new ATOM 0 HG3 GLU A 110 5.326 -8.290 9.264 1.00 1.00 H new ATOM 1691 N LEU A 111 5.238 -10.269 6.403 1.00 1.00 N ATOM 1692 CA LEU A 111 4.043 -9.929 5.640 1.00 1.00 C ATOM 1693 C LEU A 111 3.948 -10.836 4.426 1.00 1.00 C ATOM 1694 O LEU A 111 4.841 -10.866 3.580 1.00 1.00 O ATOM 1695 CB LEU A 111 4.105 -8.450 5.208 1.00 1.00 C ATOM 1696 CG LEU A 111 2.696 -7.871 4.969 1.00 1.00 C ATOM 1697 CD1 LEU A 111 1.950 -8.702 3.917 1.00 1.00 C ATOM 1698 CD2 LEU A 111 1.892 -7.838 6.287 1.00 1.00 C ATOM 0 H LEU A 111 6.070 -10.438 5.838 1.00 1.00 H new ATOM 0 HA LEU A 111 3.157 -10.072 6.258 1.00 1.00 H new ATOM 0 HB2 LEU A 111 4.614 -7.867 5.976 1.00 1.00 H new ATOM 0 HB3 LEU A 111 4.696 -8.361 4.296 1.00 1.00 H new ATOM 0 HG LEU A 111 2.802 -6.850 4.601 1.00 1.00 H new ATOM 0 HD11 LEU A 111 0.957 -8.282 3.759 1.00 1.00 H new ATOM 0 HD12 LEU A 111 2.505 -8.685 2.979 1.00 1.00 H new ATOM 0 HD13 LEU A 111 1.857 -9.731 4.265 1.00 1.00 H new ATOM 0 HD21 LEU A 111 0.901 -7.426 6.098 1.00 1.00 H new ATOM 0 HD22 LEU A 111 1.796 -8.850 6.680 1.00 1.00 H new ATOM 0 HD23 LEU A 111 2.411 -7.214 7.014 1.00 1.00 H new ATOM 1710 N LYS A 112 2.845 -11.557 4.340 1.00 1.00 N ATOM 1711 CA LYS A 112 2.607 -12.457 3.215 1.00 1.00 C ATOM 1712 C LYS A 112 1.121 -12.512 2.908 1.00 1.00 C ATOM 1713 O LYS A 112 0.355 -13.164 3.616 1.00 1.00 O ATOM 1714 CB LYS A 112 3.134 -13.863 3.519 1.00 1.00 C ATOM 1715 CG LYS A 112 3.337 -14.629 2.206 1.00 1.00 C ATOM 1716 CD LYS A 112 3.969 -15.987 2.499 1.00 1.00 C ATOM 1717 CE LYS A 112 4.192 -16.733 1.185 1.00 1.00 C ATOM 1718 NZ LYS A 112 4.795 -18.065 1.472 1.00 1.00 N ATOM 0 H LYS A 112 2.097 -11.540 5.033 1.00 1.00 H new ATOM 0 HA LYS A 112 3.142 -12.074 2.346 1.00 1.00 H new ATOM 0 HB2 LYS A 112 4.075 -13.800 4.065 1.00 1.00 H new ATOM 0 HB3 LYS A 112 2.430 -14.396 4.158 1.00 1.00 H new ATOM 0 HG2 LYS A 112 2.381 -14.763 1.700 1.00 1.00 H new ATOM 0 HG3 LYS A 112 3.976 -14.056 1.534 1.00 1.00 H new ATOM 0 HD2 LYS A 112 4.917 -15.855 3.021 1.00 1.00 H new ATOM 0 HD3 LYS A 112 3.322 -16.568 3.155 1.00 1.00 H new ATOM 0 HE2 LYS A 112 3.246 -16.855 0.658 1.00 1.00 H new ATOM 0 HE3 LYS A 112 4.848 -16.157 0.533 1.00 1.00 H new ATOM 0 HZ1 LYS A 112 4.948 -18.576 0.579 1.00 1.00 H new ATOM 0 HZ2 LYS A 112 5.705 -17.936 1.958 1.00 1.00 H new ATOM 0 HZ3 LYS A 112 4.153 -18.613 2.079 1.00 1.00 H new ATOM 1732 N LEU A 113 0.726 -11.815 1.846 1.00 1.00 N ATOM 1733 CA LEU A 113 -0.682 -11.772 1.444 1.00 1.00 C ATOM 1734 C LEU A 113 -0.807 -11.607 -0.066 1.00 1.00 C ATOM 1735 O LEU A 113 0.184 -11.408 -0.764 1.00 1.00 O ATOM 1736 CB LEU A 113 -1.410 -10.616 2.157 1.00 1.00 C ATOM 1737 CG LEU A 113 -1.684 -10.964 3.633 1.00 1.00 C ATOM 1738 CD1 LEU A 113 -2.338 -9.763 4.343 1.00 1.00 C ATOM 1739 CD2 LEU A 113 -2.592 -12.218 3.743 1.00 1.00 C ATOM 0 H LEU A 113 1.354 -11.275 1.250 1.00 1.00 H new ATOM 0 HA LEU A 113 -1.145 -12.716 1.733 1.00 1.00 H new ATOM 0 HB2 LEU A 113 -0.806 -9.710 2.099 1.00 1.00 H new ATOM 0 HB3 LEU A 113 -2.351 -10.405 1.649 1.00 1.00 H new ATOM 0 HG LEU A 113 -0.735 -11.189 4.119 1.00 1.00 H new ATOM 0 HD11 LEU A 113 -2.529 -10.017 5.386 1.00 1.00 H new ATOM 0 HD12 LEU A 113 -1.669 -8.904 4.295 1.00 1.00 H new ATOM 0 HD13 LEU A 113 -3.279 -9.518 3.851 1.00 1.00 H new ATOM 0 HD21 LEU A 113 -2.772 -12.446 4.794 1.00 1.00 H new ATOM 0 HD22 LEU A 113 -3.542 -12.024 3.245 1.00 1.00 H new ATOM 0 HD23 LEU A 113 -2.100 -13.066 3.267 1.00 1.00 H new ATOM 1751 N VAL A 114 -2.043 -11.676 -0.565 1.00 1.00 N ATOM 1752 CA VAL A 114 -2.309 -11.526 -2.003 1.00 1.00 C ATOM 1753 C VAL A 114 -3.291 -10.381 -2.231 1.00 1.00 C ATOM 1754 O VAL A 114 -4.328 -10.309 -1.570 1.00 1.00 O ATOM 1755 CB VAL A 114 -2.912 -12.826 -2.558 1.00 1.00 C ATOM 1756 CG1 VAL A 114 -3.392 -12.607 -3.999 1.00 1.00 C ATOM 1757 CG2 VAL A 114 -1.860 -13.937 -2.536 1.00 1.00 C ATOM 0 H VAL A 114 -2.876 -11.834 0.002 1.00 1.00 H new ATOM 0 HA VAL A 114 -1.372 -11.310 -2.516 1.00 1.00 H new ATOM 0 HB VAL A 114 -3.759 -13.116 -1.936 1.00 1.00 H new ATOM 0 HG11 VAL A 114 -3.818 -13.533 -4.385 1.00 1.00 H new ATOM 0 HG12 VAL A 114 -4.150 -11.824 -4.015 1.00 1.00 H new ATOM 0 HG13 VAL A 114 -2.549 -12.308 -4.622 1.00 1.00 H new ATOM 0 HG21 VAL A 114 -2.293 -14.856 -2.931 1.00 1.00 H new ATOM 0 HG22 VAL A 114 -1.009 -13.644 -3.150 1.00 1.00 H new ATOM 0 HG23 VAL A 114 -1.528 -14.103 -1.511 1.00 1.00 H new ATOM 1767 N PHE A 115 -2.963 -9.484 -3.165 1.00 1.00 N ATOM 1768 CA PHE A 115 -3.828 -8.341 -3.471 1.00 1.00 C ATOM 1769 C PHE A 115 -4.170 -8.287 -4.961 1.00 1.00 C ATOM 1770 O PHE A 115 -3.335 -8.583 -5.816 1.00 1.00 O ATOM 1771 CB PHE A 115 -3.147 -7.029 -3.065 1.00 1.00 C ATOM 1772 CG PHE A 115 -3.078 -6.931 -1.559 1.00 1.00 C ATOM 1773 CD1 PHE A 115 -4.127 -6.337 -0.844 1.00 1.00 C ATOM 1774 CD2 PHE A 115 -1.966 -7.435 -0.878 1.00 1.00 C ATOM 1775 CE1 PHE A 115 -4.062 -6.253 0.551 1.00 1.00 C ATOM 1776 CE2 PHE A 115 -1.901 -7.353 0.516 1.00 1.00 C ATOM 1777 CZ PHE A 115 -2.946 -6.767 1.234 1.00 1.00 C ATOM 0 H PHE A 115 -2.108 -9.526 -3.720 1.00 1.00 H new ATOM 0 HA PHE A 115 -4.749 -8.468 -2.902 1.00 1.00 H new ATOM 0 HB2 PHE A 115 -2.143 -6.984 -3.488 1.00 1.00 H new ATOM 0 HB3 PHE A 115 -3.701 -6.181 -3.468 1.00 1.00 H new ATOM 0 HD1 PHE A 115 -4.985 -5.944 -1.370 1.00 1.00 H new ATOM 0 HD2 PHE A 115 -1.156 -7.888 -1.430 1.00 1.00 H new ATOM 0 HE1 PHE A 115 -4.869 -5.794 1.103 1.00 1.00 H new ATOM 0 HE2 PHE A 115 -1.041 -7.744 1.039 1.00 1.00 H new ATOM 0 HZ PHE A 115 -2.897 -6.709 2.311 1.00 1.00 H new ATOM 1787 N GLN A 116 -5.408 -7.883 -5.252 1.00 1.00 N ATOM 1788 CA GLN A 116 -5.896 -7.755 -6.631 1.00 1.00 C ATOM 1789 C GLN A 116 -6.183 -6.286 -6.955 1.00 1.00 C ATOM 1790 O GLN A 116 -7.292 -5.799 -6.741 1.00 1.00 O ATOM 1791 CB GLN A 116 -7.177 -8.595 -6.815 1.00 1.00 C ATOM 1792 CG GLN A 116 -6.819 -10.044 -7.182 1.00 1.00 C ATOM 1793 CD GLN A 116 -6.522 -10.151 -8.676 1.00 1.00 C ATOM 1794 OE1 GLN A 116 -5.290 -10.084 -9.090 1.00 1.00 O flip ATOM 1795 NE2 GLN A 116 -7.440 -10.278 -9.485 1.00 1.00 N flip ATOM 0 H GLN A 116 -6.099 -7.636 -4.544 1.00 1.00 H new ATOM 0 HA GLN A 116 -5.128 -8.122 -7.312 1.00 1.00 H new ATOM 0 HB2 GLN A 116 -7.764 -8.580 -5.897 1.00 1.00 H new ATOM 0 HB3 GLN A 116 -7.797 -8.158 -7.597 1.00 1.00 H new ATOM 0 HG2 GLN A 116 -5.952 -10.369 -6.607 1.00 1.00 H new ATOM 0 HG3 GLN A 116 -7.643 -10.708 -6.919 1.00 1.00 H new ATOM 0 HE21 GLN A 116 -8.405 -10.330 -9.158 1.00 1.00 H new ATOM 0 HE22 GLN A 116 -7.237 -10.331 -10.483 1.00 1.00 H new ATOM 1804 N LEU A 117 -5.171 -5.589 -7.464 1.00 1.00 N ATOM 1805 CA LEU A 117 -5.304 -4.173 -7.815 1.00 1.00 C ATOM 1806 C LEU A 117 -5.755 -4.042 -9.284 1.00 1.00 C ATOM 1807 O LEU A 117 -5.535 -4.954 -10.082 1.00 1.00 O ATOM 1808 CB LEU A 117 -3.941 -3.479 -7.599 1.00 1.00 C ATOM 1809 CG LEU A 117 -3.196 -4.131 -6.425 1.00 1.00 C ATOM 1810 CD1 LEU A 117 -1.870 -3.397 -6.203 1.00 1.00 C ATOM 1811 CD2 LEU A 117 -4.057 -4.045 -5.152 1.00 1.00 C ATOM 0 H LEU A 117 -4.246 -5.980 -7.644 1.00 1.00 H new ATOM 0 HA LEU A 117 -6.054 -3.697 -7.184 1.00 1.00 H new ATOM 0 HB2 LEU A 117 -3.340 -3.551 -8.506 1.00 1.00 H new ATOM 0 HB3 LEU A 117 -4.092 -2.418 -7.400 1.00 1.00 H new ATOM 0 HG LEU A 117 -3.001 -5.179 -6.652 1.00 1.00 H new ATOM 0 HD11 LEU A 117 -1.336 -3.855 -5.371 1.00 1.00 H new ATOM 0 HD12 LEU A 117 -1.262 -3.463 -7.105 1.00 1.00 H new ATOM 0 HD13 LEU A 117 -2.068 -2.350 -5.975 1.00 1.00 H new ATOM 0 HD21 LEU A 117 -3.525 -4.509 -4.321 1.00 1.00 H new ATOM 0 HD22 LEU A 117 -4.256 -2.999 -4.917 1.00 1.00 H new ATOM 0 HD23 LEU A 117 -5.000 -4.566 -5.315 1.00 1.00 H new ATOM 1823 N PRO A 118 -6.378 -2.948 -9.667 1.00 1.00 N ATOM 1824 CA PRO A 118 -6.849 -2.751 -11.078 1.00 1.00 C ATOM 1825 C PRO A 118 -5.680 -2.603 -12.055 1.00 1.00 C ATOM 1826 O PRO A 118 -4.876 -1.676 -11.949 1.00 1.00 O ATOM 1827 CB PRO A 118 -7.691 -1.469 -11.006 1.00 1.00 C ATOM 1828 CG PRO A 118 -7.138 -0.727 -9.840 1.00 1.00 C ATOM 1829 CD PRO A 118 -6.710 -1.787 -8.825 1.00 1.00 C ATOM 0 HA PRO A 118 -7.414 -3.605 -11.451 1.00 1.00 H new ATOM 0 HB2 PRO A 118 -7.607 -0.887 -11.924 1.00 1.00 H new ATOM 0 HB3 PRO A 118 -8.748 -1.695 -10.868 1.00 1.00 H new ATOM 0 HG2 PRO A 118 -6.291 -0.109 -10.138 1.00 1.00 H new ATOM 0 HG3 PRO A 118 -7.886 -0.059 -9.413 1.00 1.00 H new ATOM 0 HD2 PRO A 118 -5.853 -1.458 -8.237 1.00 1.00 H new ATOM 0 HD3 PRO A 118 -7.510 -2.016 -8.121 1.00 1.00 H new ATOM 1837 N PHE A 119 -5.582 -3.546 -12.983 1.00 1.00 N ATOM 1838 CA PHE A 119 -4.508 -3.590 -13.976 1.00 1.00 C ATOM 1839 C PHE A 119 -4.060 -2.226 -14.467 1.00 1.00 C ATOM 1840 O PHE A 119 -4.872 -1.350 -14.762 1.00 1.00 O ATOM 1841 CB PHE A 119 -4.993 -4.400 -15.176 1.00 1.00 C ATOM 1842 CG PHE A 119 -3.904 -4.470 -16.222 1.00 1.00 C ATOM 1843 CD1 PHE A 119 -2.714 -5.146 -15.941 1.00 1.00 C ATOM 1844 CD2 PHE A 119 -4.087 -3.867 -17.475 1.00 1.00 C ATOM 1845 CE1 PHE A 119 -1.706 -5.223 -16.909 1.00 1.00 C ATOM 1846 CE2 PHE A 119 -3.079 -3.941 -18.441 1.00 1.00 C ATOM 1847 CZ PHE A 119 -1.887 -4.621 -18.158 1.00 1.00 C ATOM 0 H PHE A 119 -6.251 -4.311 -13.071 1.00 1.00 H new ATOM 0 HA PHE A 119 -3.647 -4.044 -13.485 1.00 1.00 H new ATOM 0 HB2 PHE A 119 -5.270 -5.405 -14.859 1.00 1.00 H new ATOM 0 HB3 PHE A 119 -5.887 -3.941 -15.599 1.00 1.00 H new ATOM 0 HD1 PHE A 119 -2.572 -5.610 -14.976 1.00 1.00 H new ATOM 0 HD2 PHE A 119 -5.007 -3.345 -17.694 1.00 1.00 H new ATOM 0 HE1 PHE A 119 -0.788 -5.748 -16.691 1.00 1.00 H new ATOM 0 HE2 PHE A 119 -3.219 -3.474 -19.405 1.00 1.00 H new ATOM 0 HZ PHE A 119 -1.108 -4.680 -18.904 1.00 1.00 H new ATOM 1857 N GLY A 120 -2.737 -2.088 -14.569 1.00 1.00 N ATOM 1858 CA GLY A 120 -2.113 -0.859 -15.047 1.00 1.00 C ATOM 1859 C GLY A 120 -2.932 0.369 -14.673 1.00 1.00 C ATOM 1860 O GLY A 120 -3.325 0.536 -13.519 1.00 1.00 O ATOM 0 H GLY A 120 -2.073 -2.822 -14.323 1.00 1.00 H new ATOM 0 HA2 GLY A 120 -1.112 -0.771 -14.625 1.00 1.00 H new ATOM 0 HA3 GLY A 120 -2.000 -0.905 -16.130 1.00 1.00 H new ATOM 1864 N SER A 121 -3.197 1.218 -15.658 1.00 1.00 N ATOM 1865 CA SER A 121 -3.977 2.418 -15.414 1.00 1.00 C ATOM 1866 C SER A 121 -3.435 3.176 -14.204 1.00 1.00 C ATOM 1867 O SER A 121 -2.333 3.723 -14.246 1.00 1.00 O ATOM 1868 CB SER A 121 -5.442 2.031 -15.179 1.00 1.00 C ATOM 1869 OG SER A 121 -5.568 1.399 -13.911 1.00 1.00 O ATOM 0 H SER A 121 -2.886 1.098 -16.622 1.00 1.00 H new ATOM 0 HA SER A 121 -3.906 3.070 -16.284 1.00 1.00 H new ATOM 0 HB2 SER A 121 -6.075 2.918 -15.220 1.00 1.00 H new ATOM 0 HB3 SER A 121 -5.783 1.360 -15.967 1.00 1.00 H new ATOM 0 HG SER A 121 -4.685 1.108 -13.601 1.00 1.00 H new ATOM 1875 N HIS A 122 -4.214 3.209 -13.129 1.00 1.00 N ATOM 1876 CA HIS A 122 -3.806 3.906 -11.916 1.00 1.00 C ATOM 1877 C HIS A 122 -2.836 3.056 -11.094 1.00 1.00 C ATOM 1878 O HIS A 122 -2.249 3.538 -10.126 1.00 1.00 O ATOM 1879 CB HIS A 122 -5.040 4.245 -11.076 1.00 1.00 C ATOM 1880 CG HIS A 122 -4.662 5.213 -9.988 1.00 1.00 C ATOM 1881 ND1 HIS A 122 -4.856 5.181 -8.631 1.00 1.00 N flip ATOM 1882 CD2 HIS A 122 -4.006 6.406 -10.250 1.00 1.00 C flip ATOM 1883 CE1 HIS A 122 -4.330 6.335 -8.055 1.00 1.00 C flip ATOM 1884 NE2 HIS A 122 -3.829 7.038 -9.073 1.00 1.00 N flip ATOM 0 H HIS A 122 -5.129 2.762 -13.073 1.00 1.00 H new ATOM 0 HA HIS A 122 -3.295 4.825 -12.203 1.00 1.00 H new ATOM 0 HB2 HIS A 122 -5.815 4.678 -11.709 1.00 1.00 H new ATOM 0 HB3 HIS A 122 -5.456 3.337 -10.640 1.00 1.00 H new ATOM 0 HD2 HIS A 122 -3.694 6.764 -11.220 1.00 1.00 H new ATOM 0 HE1 HIS A 122 -4.328 6.603 -7.009 1.00 1.00 H new ATOM 0 HE2 HIS A 122 -3.369 7.943 -8.972 1.00 1.00 H new ATOM 1892 N THR A 123 -2.669 1.790 -11.482 1.00 1.00 N ATOM 1893 CA THR A 123 -1.762 0.886 -10.769 1.00 1.00 C ATOM 1894 C THR A 123 -0.342 0.958 -11.322 1.00 1.00 C ATOM 1895 O THR A 123 0.625 0.774 -10.584 1.00 1.00 O ATOM 1896 CB THR A 123 -2.253 -0.562 -10.876 1.00 1.00 C ATOM 1897 OG1 THR A 123 -3.540 -0.675 -10.289 1.00 1.00 O ATOM 1898 CG2 THR A 123 -1.274 -1.488 -10.150 1.00 1.00 C ATOM 0 H THR A 123 -3.146 1.369 -12.280 1.00 1.00 H new ATOM 0 HA THR A 123 -1.752 1.205 -9.727 1.00 1.00 H new ATOM 0 HB THR A 123 -2.311 -0.847 -11.926 1.00 1.00 H new ATOM 0 HG1 THR A 123 -4.109 -1.239 -10.854 1.00 1.00 H new ATOM 0 HG21 THR A 123 -1.623 -2.518 -10.226 1.00 1.00 H new ATOM 0 HG22 THR A 123 -0.288 -1.404 -10.606 1.00 1.00 H new ATOM 0 HG23 THR A 123 -1.213 -1.202 -9.100 1.00 1.00 H new ATOM 1906 N ARG A 124 -0.213 1.197 -12.623 1.00 1.00 N ATOM 1907 CA ARG A 124 1.108 1.253 -13.249 1.00 1.00 C ATOM 1908 C ARG A 124 1.990 2.278 -12.556 1.00 1.00 C ATOM 1909 O ARG A 124 3.171 2.034 -12.314 1.00 1.00 O ATOM 1910 CB ARG A 124 0.959 1.633 -14.725 1.00 1.00 C ATOM 1911 CG ARG A 124 2.328 1.616 -15.410 1.00 1.00 C ATOM 1912 CD ARG A 124 2.161 2.018 -16.873 1.00 1.00 C ATOM 1913 NE ARG A 124 1.419 0.991 -17.600 1.00 1.00 N ATOM 1914 CZ ARG A 124 1.155 1.124 -18.895 1.00 1.00 C ATOM 1915 NH1 ARG A 124 1.553 2.187 -19.536 1.00 1.00 N ATOM 1916 NH2 ARG A 124 0.496 0.191 -19.527 1.00 1.00 N ATOM 0 H ARG A 124 -0.995 1.354 -13.259 1.00 1.00 H new ATOM 0 HA ARG A 124 1.574 0.272 -13.160 1.00 1.00 H new ATOM 0 HB2 ARG A 124 0.285 0.935 -15.223 1.00 1.00 H new ATOM 0 HB3 ARG A 124 0.512 2.624 -14.811 1.00 1.00 H new ATOM 0 HG2 ARG A 124 3.008 2.303 -14.907 1.00 1.00 H new ATOM 0 HG3 ARG A 124 2.770 0.622 -15.342 1.00 1.00 H new ATOM 0 HD2 ARG A 124 1.635 2.970 -16.938 1.00 1.00 H new ATOM 0 HD3 ARG A 124 3.139 2.162 -17.331 1.00 1.00 H new ATOM 0 HE ARG A 124 1.099 0.159 -17.105 1.00 1.00 H new ATOM 0 HH11 ARG A 124 2.067 2.917 -19.043 1.00 1.00 H new ATOM 0 HH12 ARG A 124 1.350 2.289 -20.530 1.00 1.00 H new ATOM 0 HH21 ARG A 124 0.183 -0.641 -19.026 1.00 1.00 H new ATOM 0 HH22 ARG A 124 0.294 0.294 -20.521 1.00 1.00 H new ATOM 1930 N THR A 125 1.411 3.422 -12.243 1.00 1.00 N ATOM 1931 CA THR A 125 2.157 4.477 -11.587 1.00 1.00 C ATOM 1932 C THR A 125 2.719 3.965 -10.267 1.00 1.00 C ATOM 1933 O THR A 125 3.864 4.248 -9.917 1.00 1.00 O ATOM 1934 CB THR A 125 1.248 5.681 -11.325 1.00 1.00 C ATOM 1935 OG1 THR A 125 0.787 6.207 -12.562 1.00 1.00 O ATOM 1936 CG2 THR A 125 2.029 6.760 -10.576 1.00 1.00 C ATOM 0 H THR A 125 0.433 3.643 -12.431 1.00 1.00 H new ATOM 0 HA THR A 125 2.977 4.785 -12.236 1.00 1.00 H new ATOM 0 HB THR A 125 0.396 5.365 -10.723 1.00 1.00 H new ATOM 0 HG1 THR A 125 0.204 6.976 -12.393 1.00 1.00 H new ATOM 0 HG21 THR A 125 1.380 7.616 -10.391 1.00 1.00 H new ATOM 0 HG22 THR A 125 2.382 6.360 -9.626 1.00 1.00 H new ATOM 0 HG23 THR A 125 2.882 7.075 -11.177 1.00 1.00 H new ATOM 1944 N PHE A 126 1.896 3.226 -9.531 1.00 1.00 N ATOM 1945 CA PHE A 126 2.315 2.699 -8.240 1.00 1.00 C ATOM 1946 C PHE A 126 3.589 1.873 -8.372 1.00 1.00 C ATOM 1947 O PHE A 126 4.533 2.063 -7.603 1.00 1.00 O ATOM 1948 CB PHE A 126 1.209 1.822 -7.650 1.00 1.00 C ATOM 1949 CG PHE A 126 1.628 1.340 -6.285 1.00 1.00 C ATOM 1950 CD1 PHE A 126 2.442 0.209 -6.162 1.00 1.00 C ATOM 1951 CD2 PHE A 126 1.199 2.023 -5.141 1.00 1.00 C ATOM 1952 CE1 PHE A 126 2.831 -0.238 -4.895 1.00 1.00 C ATOM 1953 CE2 PHE A 126 1.588 1.575 -3.874 1.00 1.00 C ATOM 1954 CZ PHE A 126 2.404 0.444 -3.752 1.00 1.00 C ATOM 0 H PHE A 126 0.944 2.981 -9.804 1.00 1.00 H new ATOM 0 HA PHE A 126 2.511 3.544 -7.581 1.00 1.00 H new ATOM 0 HB2 PHE A 126 0.280 2.388 -7.579 1.00 1.00 H new ATOM 0 HB3 PHE A 126 1.015 0.972 -8.304 1.00 1.00 H new ATOM 0 HD1 PHE A 126 2.770 -0.319 -7.045 1.00 1.00 H new ATOM 0 HD2 PHE A 126 0.569 2.895 -5.236 1.00 1.00 H new ATOM 0 HE1 PHE A 126 3.461 -1.110 -4.800 1.00 1.00 H new ATOM 0 HE2 PHE A 126 1.259 2.102 -2.990 1.00 1.00 H new ATOM 0 HZ PHE A 126 2.704 0.098 -2.774 1.00 1.00 H new ATOM 1964 N LEU A 127 3.604 0.919 -9.297 1.00 1.00 N ATOM 1965 CA LEU A 127 4.761 0.042 -9.440 1.00 1.00 C ATOM 1966 C LEU A 127 6.044 0.851 -9.515 1.00 1.00 C ATOM 1967 O LEU A 127 7.015 0.548 -8.826 1.00 1.00 O ATOM 1968 CB LEU A 127 4.647 -0.761 -10.742 1.00 1.00 C ATOM 1969 CG LEU A 127 3.268 -1.411 -10.858 1.00 1.00 C ATOM 1970 CD1 LEU A 127 3.179 -2.149 -12.195 1.00 1.00 C ATOM 1971 CD2 LEU A 127 3.063 -2.403 -9.707 1.00 1.00 C ATOM 0 H LEU A 127 2.842 0.735 -9.949 1.00 1.00 H new ATOM 0 HA LEU A 127 4.785 -0.619 -8.574 1.00 1.00 H new ATOM 0 HB2 LEU A 127 4.818 -0.105 -11.596 1.00 1.00 H new ATOM 0 HB3 LEU A 127 5.420 -1.529 -10.770 1.00 1.00 H new ATOM 0 HG LEU A 127 2.495 -0.644 -10.806 1.00 1.00 H new ATOM 0 HD11 LEU A 127 2.199 -2.617 -12.288 1.00 1.00 H new ATOM 0 HD12 LEU A 127 3.322 -1.441 -13.011 1.00 1.00 H new ATOM 0 HD13 LEU A 127 3.952 -2.916 -12.240 1.00 1.00 H new ATOM 0 HD21 LEU A 127 2.079 -2.863 -9.794 1.00 1.00 H new ATOM 0 HD22 LEU A 127 3.830 -3.176 -9.752 1.00 1.00 H new ATOM 0 HD23 LEU A 127 3.134 -1.876 -8.756 1.00 1.00 H new ATOM 1983 N GLN A 128 6.061 1.858 -10.368 1.00 1.00 N ATOM 1984 CA GLN A 128 7.250 2.676 -10.538 1.00 1.00 C ATOM 1985 C GLN A 128 7.660 3.369 -9.237 1.00 1.00 C ATOM 1986 O GLN A 128 8.850 3.495 -8.946 1.00 1.00 O ATOM 1987 CB GLN A 128 6.970 3.707 -11.615 1.00 1.00 C ATOM 1988 CG GLN A 128 6.792 2.975 -12.942 1.00 1.00 C ATOM 1989 CD GLN A 128 6.313 3.941 -14.001 1.00 1.00 C ATOM 1990 OE1 GLN A 128 7.116 4.586 -14.674 1.00 1.00 O ATOM 1991 NE2 GLN A 128 5.037 4.083 -14.181 1.00 1.00 N ATOM 0 H GLN A 128 5.270 2.129 -10.952 1.00 1.00 H new ATOM 0 HA GLN A 128 8.080 2.032 -10.829 1.00 1.00 H new ATOM 0 HB2 GLN A 128 6.073 4.276 -11.372 1.00 1.00 H new ATOM 0 HB3 GLN A 128 7.792 4.420 -11.682 1.00 1.00 H new ATOM 0 HG2 GLN A 128 7.736 2.524 -13.248 1.00 1.00 H new ATOM 0 HG3 GLN A 128 6.074 2.163 -12.826 1.00 1.00 H new ATOM 0 HE21 GLN A 128 4.379 3.544 -13.618 1.00 1.00 H new ATOM 0 HE22 GLN A 128 4.691 4.734 -14.886 1.00 1.00 H new ATOM 2000 N GLU A 129 6.678 3.831 -8.468 1.00 1.00 N ATOM 2001 CA GLU A 129 6.969 4.523 -7.211 1.00 1.00 C ATOM 2002 C GLU A 129 7.658 3.602 -6.210 1.00 1.00 C ATOM 2003 O GLU A 129 8.395 4.065 -5.341 1.00 1.00 O ATOM 2004 CB GLU A 129 5.680 5.062 -6.585 1.00 1.00 C ATOM 2005 CG GLU A 129 5.073 6.151 -7.476 1.00 1.00 C ATOM 2006 CD GLU A 129 6.009 7.352 -7.557 1.00 1.00 C ATOM 2007 OE1 GLU A 129 6.863 7.473 -6.693 1.00 1.00 O ATOM 2008 OE2 GLU A 129 5.861 8.133 -8.483 1.00 1.00 O ATOM 0 H GLU A 129 5.686 3.742 -8.687 1.00 1.00 H new ATOM 0 HA GLU A 129 7.640 5.349 -7.447 1.00 1.00 H new ATOM 0 HB2 GLU A 129 4.965 4.250 -6.452 1.00 1.00 H new ATOM 0 HB3 GLU A 129 5.890 5.467 -5.595 1.00 1.00 H new ATOM 0 HG2 GLU A 129 4.893 5.754 -8.475 1.00 1.00 H new ATOM 0 HG3 GLU A 129 4.107 6.460 -7.077 1.00 1.00 H new ATOM 2015 N VAL A 130 7.414 2.304 -6.322 1.00 1.00 N ATOM 2016 CA VAL A 130 8.025 1.353 -5.401 1.00 1.00 C ATOM 2017 C VAL A 130 9.548 1.397 -5.529 1.00 1.00 C ATOM 2018 O VAL A 130 10.261 1.466 -4.536 1.00 1.00 O ATOM 2019 CB VAL A 130 7.511 -0.058 -5.706 1.00 1.00 C ATOM 2020 CG1 VAL A 130 8.265 -1.085 -4.860 1.00 1.00 C ATOM 2021 CG2 VAL A 130 6.016 -0.132 -5.386 1.00 1.00 C ATOM 0 H VAL A 130 6.807 1.889 -7.029 1.00 1.00 H new ATOM 0 HA VAL A 130 7.755 1.621 -4.379 1.00 1.00 H new ATOM 0 HB VAL A 130 7.674 -0.279 -6.761 1.00 1.00 H new ATOM 0 HG11 VAL A 130 7.893 -2.085 -5.084 1.00 1.00 H new ATOM 0 HG12 VAL A 130 9.329 -1.034 -5.090 1.00 1.00 H new ATOM 0 HG13 VAL A 130 8.111 -0.869 -3.803 1.00 1.00 H new ATOM 0 HG21 VAL A 130 5.647 -1.135 -5.602 1.00 1.00 H new ATOM 0 HG22 VAL A 130 5.858 0.094 -4.331 1.00 1.00 H new ATOM 0 HG23 VAL A 130 5.477 0.592 -5.997 1.00 1.00 H new ATOM 2031 N ALA A 131 10.028 1.337 -6.763 1.00 1.00 N ATOM 2032 CA ALA A 131 11.472 1.345 -7.028 1.00 1.00 C ATOM 2033 C ALA A 131 12.165 2.544 -6.375 1.00 1.00 C ATOM 2034 O ALA A 131 13.256 2.410 -5.823 1.00 1.00 O ATOM 2035 CB ALA A 131 11.721 1.377 -8.536 1.00 1.00 C ATOM 0 H ALA A 131 9.446 1.282 -7.599 1.00 1.00 H new ATOM 0 HA ALA A 131 11.891 0.436 -6.596 1.00 1.00 H new ATOM 0 HB1 ALA A 131 12.794 1.383 -8.728 1.00 1.00 H new ATOM 0 HB2 ALA A 131 11.275 0.496 -8.997 1.00 1.00 H new ATOM 0 HB3 ALA A 131 11.272 2.275 -8.960 1.00 1.00 H new ATOM 2041 N ARG A 132 11.528 3.708 -6.435 1.00 1.00 N ATOM 2042 CA ARG A 132 12.103 4.917 -5.840 1.00 1.00 C ATOM 2043 C ARG A 132 11.876 4.948 -4.329 1.00 1.00 C ATOM 2044 O ARG A 132 12.635 5.569 -3.587 1.00 1.00 O ATOM 2045 CB ARG A 132 11.489 6.159 -6.485 1.00 1.00 C ATOM 2046 CG ARG A 132 11.931 6.234 -7.947 1.00 1.00 C ATOM 2047 CD ARG A 132 11.244 7.416 -8.630 1.00 1.00 C ATOM 2048 NE ARG A 132 11.680 8.667 -8.023 1.00 1.00 N ATOM 2049 CZ ARG A 132 11.123 9.825 -8.361 1.00 1.00 C ATOM 2050 NH1 ARG A 132 10.173 9.855 -9.255 1.00 1.00 N ATOM 2051 NH2 ARG A 132 11.526 10.931 -7.799 1.00 1.00 N ATOM 0 H ARG A 132 10.622 3.844 -6.884 1.00 1.00 H new ATOM 0 HA ARG A 132 13.178 4.908 -6.023 1.00 1.00 H new ATOM 0 HB2 ARG A 132 10.402 6.116 -6.423 1.00 1.00 H new ATOM 0 HB3 ARG A 132 11.804 7.055 -5.950 1.00 1.00 H new ATOM 0 HG2 ARG A 132 13.014 6.347 -8.005 1.00 1.00 H new ATOM 0 HG3 ARG A 132 11.679 5.307 -8.462 1.00 1.00 H new ATOM 0 HD2 ARG A 132 11.479 7.418 -9.694 1.00 1.00 H new ATOM 0 HD3 ARG A 132 10.162 7.318 -8.543 1.00 1.00 H new ATOM 0 HE ARG A 132 12.425 8.653 -7.327 1.00 1.00 H new ATOM 0 HH11 ARG A 132 9.858 8.990 -9.694 1.00 1.00 H new ATOM 0 HH12 ARG A 132 9.745 10.744 -9.515 1.00 1.00 H new ATOM 0 HH21 ARG A 132 12.269 10.907 -7.100 1.00 1.00 H new ATOM 0 HH22 ARG A 132 11.099 11.820 -8.058 1.00 1.00 H new ATOM 2065 N ALA A 133 10.807 4.294 -3.891 1.00 1.00 N ATOM 2066 CA ALA A 133 10.456 4.268 -2.473 1.00 1.00 C ATOM 2067 C ALA A 133 11.631 3.798 -1.610 1.00 1.00 C ATOM 2068 O ALA A 133 11.760 4.203 -0.457 1.00 1.00 O ATOM 2069 CB ALA A 133 9.256 3.348 -2.259 1.00 1.00 C ATOM 0 H ALA A 133 10.168 3.775 -4.494 1.00 1.00 H new ATOM 0 HA ALA A 133 10.204 5.284 -2.169 1.00 1.00 H new ATOM 0 HB1 ALA A 133 8.996 3.330 -1.201 1.00 1.00 H new ATOM 0 HB2 ALA A 133 8.407 3.717 -2.835 1.00 1.00 H new ATOM 0 HB3 ALA A 133 9.507 2.340 -2.588 1.00 1.00 H new ATOM 2075 N CYS A 134 12.507 2.975 -2.176 1.00 1.00 N ATOM 2076 CA CYS A 134 13.677 2.512 -1.426 1.00 1.00 C ATOM 2077 C CYS A 134 14.601 1.646 -2.294 1.00 1.00 C ATOM 2078 O CYS A 134 15.783 1.949 -2.404 1.00 1.00 O ATOM 2079 CB CYS A 134 13.238 1.761 -0.143 1.00 1.00 C ATOM 2080 SG CYS A 134 13.581 2.777 1.324 1.00 1.00 S ATOM 0 H CYS A 134 12.436 2.619 -3.129 1.00 1.00 H new ATOM 0 HA CYS A 134 14.252 3.389 -1.127 1.00 1.00 H new ATOM 0 HB2 CYS A 134 12.174 1.530 -0.194 1.00 1.00 H new ATOM 0 HB3 CYS A 134 13.768 0.811 -0.069 1.00 1.00 H new ATOM 0 HG CYS A 134 12.936 3.902 1.233 1.00 1.00 H new ATOM 2086 N PRO A 135 14.099 0.589 -2.896 1.00 1.00 N ATOM 2087 CA PRO A 135 14.917 -0.315 -3.771 1.00 1.00 C ATOM 2088 C PRO A 135 15.849 0.442 -4.734 1.00 1.00 C ATOM 2089 O PRO A 135 16.710 1.211 -4.313 1.00 1.00 O ATOM 2090 CB PRO A 135 13.855 -1.118 -4.536 1.00 1.00 C ATOM 2091 CG PRO A 135 12.673 -1.169 -3.628 1.00 1.00 C ATOM 2092 CD PRO A 135 12.702 0.130 -2.806 1.00 1.00 C ATOM 0 HA PRO A 135 15.599 -0.932 -3.187 1.00 1.00 H new ATOM 0 HB2 PRO A 135 13.604 -0.638 -5.482 1.00 1.00 H new ATOM 0 HB3 PRO A 135 14.213 -2.120 -4.772 1.00 1.00 H new ATOM 0 HG2 PRO A 135 11.748 -1.247 -4.199 1.00 1.00 H new ATOM 0 HG3 PRO A 135 12.721 -2.042 -2.977 1.00 1.00 H new ATOM 0 HD2 PRO A 135 12.013 0.872 -3.210 1.00 1.00 H new ATOM 0 HD3 PRO A 135 12.408 -0.048 -1.772 1.00 1.00 H new ATOM 2232 N GLU A 145 15.731 0.834 8.545 1.00 1.00 N ATOM 2233 CA GLU A 145 15.715 2.059 9.346 1.00 1.00 C ATOM 2234 C GLU A 145 14.340 2.224 9.986 1.00 1.00 C ATOM 2235 O GLU A 145 14.119 1.798 11.120 1.00 1.00 O ATOM 2236 CB GLU A 145 16.056 3.291 8.478 1.00 1.00 C ATOM 2237 CG GLU A 145 15.640 3.044 7.024 1.00 1.00 C ATOM 2238 CD GLU A 145 16.639 2.121 6.338 1.00 1.00 C ATOM 2239 OE1 GLU A 145 17.823 2.272 6.590 1.00 1.00 O ATOM 2240 OE2 GLU A 145 16.206 1.275 5.574 1.00 1.00 O ATOM 0 HA GLU A 145 16.473 1.981 10.126 1.00 1.00 H new ATOM 0 HB2 GLU A 145 15.544 4.172 8.866 1.00 1.00 H new ATOM 0 HB3 GLU A 145 17.125 3.496 8.528 1.00 1.00 H new ATOM 0 HG2 GLU A 145 14.645 2.601 6.994 1.00 1.00 H new ATOM 0 HG3 GLU A 145 15.583 3.992 6.489 1.00 1.00 H new ATOM 2247 N PHE A 146 13.418 2.833 9.252 1.00 1.00 N ATOM 2248 CA PHE A 146 12.068 3.030 9.757 1.00 1.00 C ATOM 2249 C PHE A 146 12.104 3.765 11.099 1.00 1.00 C ATOM 2250 O PHE A 146 11.095 3.870 11.791 1.00 1.00 O ATOM 2251 CB PHE A 146 11.381 1.663 9.913 1.00 1.00 C ATOM 2252 CG PHE A 146 11.836 0.724 8.807 1.00 1.00 C ATOM 2253 CD1 PHE A 146 12.067 1.209 7.508 1.00 1.00 C ATOM 2254 CD2 PHE A 146 12.025 -0.638 9.082 1.00 1.00 C ATOM 2255 CE1 PHE A 146 12.483 0.335 6.499 1.00 1.00 C ATOM 2256 CE2 PHE A 146 12.438 -1.507 8.070 1.00 1.00 C ATOM 2257 CZ PHE A 146 12.667 -1.022 6.778 1.00 1.00 C ATOM 0 H PHE A 146 13.579 3.196 8.313 1.00 1.00 H new ATOM 0 HA PHE A 146 11.503 3.639 9.051 1.00 1.00 H new ATOM 0 HB2 PHE A 146 11.621 1.235 10.886 1.00 1.00 H new ATOM 0 HB3 PHE A 146 10.298 1.784 9.876 1.00 1.00 H new ATOM 0 HD1 PHE A 146 11.923 2.257 7.289 1.00 1.00 H new ATOM 0 HD2 PHE A 146 11.851 -1.016 10.079 1.00 1.00 H new ATOM 0 HE1 PHE A 146 12.663 0.709 5.502 1.00 1.00 H new ATOM 0 HE2 PHE A 146 12.581 -2.556 8.285 1.00 1.00 H new ATOM 0 HZ PHE A 146 12.986 -1.696 5.997 1.00 1.00 H new ATOM 2267 N GLU A 147 13.284 4.247 11.457 1.00 1.00 N ATOM 2268 CA GLU A 147 13.481 4.954 12.722 1.00 1.00 C ATOM 2269 C GLU A 147 12.550 6.164 12.857 1.00 1.00 C ATOM 2270 O GLU A 147 12.339 6.672 13.958 1.00 1.00 O ATOM 2271 CB GLU A 147 14.937 5.419 12.813 1.00 1.00 C ATOM 2272 CG GLU A 147 15.199 6.073 14.172 1.00 1.00 C ATOM 2273 CD GLU A 147 16.674 6.441 14.296 1.00 1.00 C ATOM 2274 OE1 GLU A 147 17.364 6.390 13.292 1.00 1.00 O ATOM 2275 OE2 GLU A 147 17.091 6.769 15.395 1.00 1.00 O ATOM 0 H GLU A 147 14.127 4.163 10.889 1.00 1.00 H new ATOM 0 HA GLU A 147 13.245 4.265 13.533 1.00 1.00 H new ATOM 0 HB2 GLU A 147 15.607 4.570 12.674 1.00 1.00 H new ATOM 0 HB3 GLU A 147 15.151 6.128 12.013 1.00 1.00 H new ATOM 0 HG2 GLU A 147 14.582 6.965 14.281 1.00 1.00 H new ATOM 0 HG3 GLU A 147 14.917 5.391 14.974 1.00 1.00 H new ATOM 2282 N TRP A 148 11.993 6.627 11.741 1.00 1.00 N ATOM 2283 CA TRP A 148 11.096 7.788 11.767 1.00 1.00 C ATOM 2284 C TRP A 148 9.639 7.363 11.896 1.00 1.00 C ATOM 2285 O TRP A 148 8.796 8.176 12.246 1.00 1.00 O ATOM 2286 CB TRP A 148 11.294 8.644 10.512 1.00 1.00 C ATOM 2287 CG TRP A 148 11.083 7.817 9.289 1.00 1.00 C ATOM 2288 CD1 TRP A 148 11.929 6.861 8.841 1.00 1.00 C ATOM 2289 CD2 TRP A 148 9.980 7.865 8.338 1.00 1.00 C ATOM 2290 NE1 TRP A 148 11.405 6.304 7.691 1.00 1.00 N ATOM 2291 CE2 TRP A 148 10.208 6.891 7.337 1.00 1.00 C ATOM 2292 CE3 TRP A 148 8.811 8.644 8.250 1.00 1.00 C ATOM 2293 CZ2 TRP A 148 9.310 6.698 6.286 1.00 1.00 C ATOM 2294 CZ3 TRP A 148 7.906 8.453 7.194 1.00 1.00 C ATOM 2295 CH2 TRP A 148 8.155 7.481 6.214 1.00 1.00 C ATOM 0 H TRP A 148 12.142 6.225 10.816 1.00 1.00 H new ATOM 0 HA TRP A 148 11.348 8.384 12.644 1.00 1.00 H new ATOM 0 HB2 TRP A 148 10.596 9.481 10.519 1.00 1.00 H new ATOM 0 HB3 TRP A 148 12.299 9.067 10.506 1.00 1.00 H new ATOM 0 HD1 TRP A 148 12.862 6.579 9.307 1.00 1.00 H new ATOM 0 HE1 TRP A 148 11.849 5.550 7.167 1.00 1.00 H new ATOM 0 HE3 TRP A 148 8.609 9.394 9.000 1.00 1.00 H new ATOM 0 HZ2 TRP A 148 9.507 5.949 5.534 1.00 1.00 H new ATOM 0 HZ3 TRP A 148 7.013 9.058 7.136 1.00 1.00 H new ATOM 0 HH2 TRP A 148 7.455 7.338 5.404 1.00 1.00 H new ATOM 2306 N LEU A 149 9.348 6.093 11.633 1.00 1.00 N ATOM 2307 CA LEU A 149 7.976 5.592 11.742 1.00 1.00 C ATOM 2308 C LEU A 149 7.491 5.697 13.184 1.00 1.00 C ATOM 2309 O LEU A 149 6.317 5.979 13.432 1.00 1.00 O ATOM 2310 CB LEU A 149 7.889 4.129 11.267 1.00 1.00 C ATOM 2311 CG LEU A 149 7.755 4.047 9.732 1.00 1.00 C ATOM 2312 CD1 LEU A 149 6.326 4.418 9.289 1.00 1.00 C ATOM 2313 CD2 LEU A 149 8.759 4.993 9.062 1.00 1.00 C ATOM 0 H LEU A 149 10.034 5.395 11.345 1.00 1.00 H new ATOM 0 HA LEU A 149 7.338 6.203 11.103 1.00 1.00 H new ATOM 0 HB2 LEU A 149 8.779 3.587 11.586 1.00 1.00 H new ATOM 0 HB3 LEU A 149 7.034 3.642 11.736 1.00 1.00 H new ATOM 0 HG LEU A 149 7.964 3.021 9.427 1.00 1.00 H new ATOM 0 HD11 LEU A 149 6.253 4.354 8.203 1.00 1.00 H new ATOM 0 HD12 LEU A 149 5.614 3.728 9.742 1.00 1.00 H new ATOM 0 HD13 LEU A 149 6.099 5.435 9.608 1.00 1.00 H new ATOM 0 HD21 LEU A 149 8.655 4.926 7.979 1.00 1.00 H new ATOM 0 HD22 LEU A 149 8.565 6.016 9.383 1.00 1.00 H new ATOM 0 HD23 LEU A 149 9.772 4.710 9.347 1.00 1.00 H new ATOM 2325 N SER A 150 8.394 5.466 14.131 1.00 1.00 N ATOM 2326 CA SER A 150 8.035 5.534 15.543 1.00 1.00 C ATOM 2327 C SER A 150 7.217 6.790 15.814 1.00 1.00 C ATOM 2328 O SER A 150 6.441 6.848 16.769 1.00 1.00 O ATOM 2329 CB SER A 150 9.301 5.559 16.390 1.00 1.00 C ATOM 2330 OG SER A 150 9.916 4.278 16.352 1.00 1.00 O ATOM 0 H SER A 150 9.370 5.232 13.950 1.00 1.00 H new ATOM 0 HA SER A 150 7.440 4.658 15.801 1.00 1.00 H new ATOM 0 HB2 SER A 150 9.989 6.317 16.015 1.00 1.00 H new ATOM 0 HB3 SER A 150 9.059 5.829 17.418 1.00 1.00 H new ATOM 0 HG SER A 150 10.732 4.291 16.895 1.00 1.00 H new ATOM 2336 N ARG A 151 7.383 7.782 14.950 1.00 1.00 N ATOM 2337 CA ARG A 151 6.642 9.028 15.081 1.00 1.00 C ATOM 2338 C ARG A 151 5.157 8.726 15.029 1.00 1.00 C ATOM 2339 O ARG A 151 4.357 9.283 15.783 1.00 1.00 O ATOM 2340 CB ARG A 151 7.025 9.969 13.931 1.00 1.00 C ATOM 2341 CG ARG A 151 6.387 9.479 12.619 1.00 1.00 C ATOM 2342 CD ARG A 151 6.969 10.246 11.434 1.00 1.00 C ATOM 2343 NE ARG A 151 6.482 11.617 11.448 1.00 1.00 N ATOM 2344 CZ ARG A 151 6.848 12.481 10.513 1.00 1.00 C ATOM 2345 NH1 ARG A 151 7.649 12.105 9.555 1.00 1.00 N ATOM 2346 NH2 ARG A 151 6.402 13.706 10.550 1.00 1.00 N ATOM 0 H ARG A 151 8.021 7.749 14.155 1.00 1.00 H new ATOM 0 HA ARG A 151 6.882 9.508 16.030 1.00 1.00 H new ATOM 0 HB2 ARG A 151 6.690 10.983 14.152 1.00 1.00 H new ATOM 0 HB3 ARG A 151 8.109 10.007 13.826 1.00 1.00 H new ATOM 0 HG2 ARG A 151 6.567 8.411 12.495 1.00 1.00 H new ATOM 0 HG3 ARG A 151 5.307 9.618 12.657 1.00 1.00 H new ATOM 0 HD2 ARG A 151 8.058 10.237 11.482 1.00 1.00 H new ATOM 0 HD3 ARG A 151 6.687 9.760 10.500 1.00 1.00 H new ATOM 0 HE ARG A 151 5.849 11.917 12.189 1.00 1.00 H new ATOM 0 HH11 ARG A 151 7.994 11.145 9.526 1.00 1.00 H new ATOM 0 HH12 ARG A 151 7.931 12.770 8.835 1.00 1.00 H new ATOM 0 HH21 ARG A 151 5.773 13.997 11.298 1.00 1.00 H new ATOM 0 HH22 ARG A 151 6.683 14.373 9.831 1.00 1.00 H new ATOM 2360 N HIS A 152 4.807 7.824 14.123 1.00 1.00 N ATOM 2361 CA HIS A 152 3.430 7.424 13.954 1.00 1.00 C ATOM 2362 C HIS A 152 3.020 6.499 15.090 1.00 1.00 C ATOM 2363 O HIS A 152 3.812 5.684 15.560 1.00 1.00 O ATOM 2364 CB HIS A 152 3.251 6.711 12.608 1.00 1.00 C ATOM 2365 CG HIS A 152 3.440 7.700 11.486 1.00 1.00 C ATOM 2366 ND1 HIS A 152 2.497 8.674 11.196 1.00 1.00 N ATOM 2367 CD2 HIS A 152 4.448 7.871 10.570 1.00 1.00 C ATOM 2368 CE1 HIS A 152 2.952 9.381 10.146 1.00 1.00 C ATOM 2369 NE2 HIS A 152 4.139 8.933 9.724 1.00 1.00 N ATOM 0 H HIS A 152 5.463 7.359 13.496 1.00 1.00 H new ATOM 0 HA HIS A 152 2.797 8.311 13.969 1.00 1.00 H new ATOM 0 HB2 HIS A 152 3.972 5.899 12.516 1.00 1.00 H new ATOM 0 HB3 HIS A 152 2.258 6.265 12.550 1.00 1.00 H new ATOM 0 HD2 HIS A 152 5.345 7.272 10.514 1.00 1.00 H new ATOM 0 HE1 HIS A 152 2.423 10.209 9.698 1.00 1.00 H new ATOM 0 HE2 HIS A 152 4.698 9.292 8.950 1.00 1.00 H new ATOM 2377 N THR A 153 1.765 6.614 15.502 1.00 1.00 N ATOM 2378 CA THR A 153 1.220 5.769 16.566 1.00 1.00 C ATOM 2379 C THR A 153 -0.006 5.046 16.040 1.00 1.00 C ATOM 2380 O THR A 153 -0.595 4.208 16.722 1.00 1.00 O ATOM 2381 CB THR A 153 0.849 6.608 17.795 1.00 1.00 C ATOM 2382 OG1 THR A 153 0.370 5.750 18.820 1.00 1.00 O ATOM 2383 CG2 THR A 153 -0.242 7.620 17.432 1.00 1.00 C ATOM 0 H THR A 153 1.100 7.285 15.117 1.00 1.00 H new ATOM 0 HA THR A 153 1.977 5.046 16.870 1.00 1.00 H new ATOM 0 HB THR A 153 1.732 7.145 18.141 1.00 1.00 H new ATOM 0 HG1 THR A 153 0.036 4.919 18.422 1.00 1.00 H new ATOM 0 HG21 THR A 153 -0.498 8.210 18.312 1.00 1.00 H new ATOM 0 HG22 THR A 153 0.122 8.281 16.645 1.00 1.00 H new ATOM 0 HG23 THR A 153 -1.127 7.090 17.081 1.00 1.00 H new ATOM 2391 N CYS A 154 -0.372 5.383 14.810 1.00 1.00 N ATOM 2392 CA CYS A 154 -1.524 4.772 14.164 1.00 1.00 C ATOM 2393 C CYS A 154 -2.788 5.042 14.969 1.00 1.00 C ATOM 2394 O CYS A 154 -2.729 5.270 16.177 1.00 1.00 O ATOM 2395 CB CYS A 154 -1.307 3.263 14.030 1.00 1.00 C ATOM 2396 SG CYS A 154 0.393 2.945 13.499 1.00 1.00 S ATOM 0 H CYS A 154 0.113 6.076 14.240 1.00 1.00 H new ATOM 0 HA CYS A 154 -1.640 5.208 13.172 1.00 1.00 H new ATOM 0 HB2 CYS A 154 -1.500 2.771 14.983 1.00 1.00 H new ATOM 0 HB3 CYS A 154 -2.009 2.846 13.308 1.00 1.00 H new ATOM 0 HG CYS A 154 0.580 1.663 13.387 1.00 1.00 H new