USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 678 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 58 ASN :FLIP amide:sc= 0.297 F(o=-5.8!,f=-2.4) USER MOD Set 1.2: A 77 SER OG : rot -73:sc= -2.66! USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.117 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= -1.96 X(o=-2,f=-2!) USER MOD Single : A 30 THR OG1 : rot -166:sc= -1.47 USER MOD Single : A 35 THR OG1 : rot -130:sc= -0.262 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -125:sc= 0.358! (180deg=-1.16!) USER MOD Single : A 60 GLN : amide:sc= -0.218 X(o=-0.22,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.289 X(o=-0.29,f=-0.16) USER MOD Single : A 65 MET CE :methyl -117:sc= -2.33 (180deg=-11.7!) USER MOD Single : A 67 HIS : no HE2:sc= -0.234 X(o=-0.23,f=-0.079) USER MOD Single : A 71 GLN : amide:sc= -1.42 K(o=-1.4,f=-5.6!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.47) USER MOD Single : A 79 SER OG : rot -170:sc= 0.173 USER MOD Single : A 84 GLN : amide:sc= -0.783 X(o=-0.78,f=-0.3) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.462 20.387 17.006 1.00 0.00 N ATOM 2 CA GLY A 1 -3.248 20.769 16.304 1.00 0.00 C ATOM 3 C GLY A 1 -3.567 21.651 15.096 1.00 0.00 C ATOM 4 O GLY A 1 -4.730 21.962 14.839 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.413 20.720 17.990 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.284 20.816 16.536 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.558 19.352 16.995 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.584 21.303 16.983 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.717 19.875 15.976 1.00 0.00 H new ATOM 8 N SER A 2 -2.515 22.030 14.385 1.00 0.00 N ATOM 9 CA SER A 2 -2.669 22.870 13.209 1.00 0.00 C ATOM 10 C SER A 2 -1.479 22.675 12.268 1.00 0.00 C ATOM 11 O SER A 2 -0.549 23.480 12.262 1.00 0.00 O ATOM 12 CB SER A 2 -2.802 24.343 13.599 1.00 0.00 C ATOM 13 OG SER A 2 -3.524 25.090 12.623 1.00 0.00 O ATOM 0 H SER A 2 -1.552 21.771 14.601 1.00 0.00 H new ATOM 0 HA SER A 2 -3.583 22.575 12.694 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.308 24.419 14.561 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.810 24.776 13.726 1.00 0.00 H new ATOM 0 HG SER A 2 -3.589 26.025 12.909 1.00 0.00 H new ATOM 19 N SER A 3 -1.548 21.601 11.494 1.00 0.00 N ATOM 20 CA SER A 3 -0.488 21.291 10.550 1.00 0.00 C ATOM 21 C SER A 3 -1.084 20.712 9.265 1.00 0.00 C ATOM 22 O SER A 3 -1.903 19.796 9.315 1.00 0.00 O ATOM 23 CB SER A 3 0.520 20.311 11.156 1.00 0.00 C ATOM 24 OG SER A 3 1.761 20.942 11.460 1.00 0.00 O ATOM 0 H SER A 3 -2.321 20.936 11.502 1.00 0.00 H new ATOM 0 HA SER A 3 0.040 22.215 10.314 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.102 19.876 12.064 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.692 19.490 10.460 1.00 0.00 H new ATOM 0 HG SER A 3 2.376 20.284 11.846 1.00 0.00 H new ATOM 30 N GLY A 4 -0.650 21.271 8.145 1.00 0.00 N ATOM 31 CA GLY A 4 -1.130 20.822 6.850 1.00 0.00 C ATOM 32 C GLY A 4 -0.361 19.586 6.378 1.00 0.00 C ATOM 33 O GLY A 4 0.868 19.597 6.329 1.00 0.00 O ATOM 0 H GLY A 4 0.029 22.031 8.108 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.193 20.591 6.913 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.020 21.624 6.120 1.00 0.00 H new ATOM 37 N SER A 5 -1.117 18.551 6.042 1.00 0.00 N ATOM 38 CA SER A 5 -0.522 17.310 5.576 1.00 0.00 C ATOM 39 C SER A 5 -1.603 16.397 4.993 1.00 0.00 C ATOM 40 O SER A 5 -2.590 16.093 5.662 1.00 0.00 O ATOM 41 CB SER A 5 0.222 16.597 6.706 1.00 0.00 C ATOM 42 OG SER A 5 1.467 16.058 6.270 1.00 0.00 O ATOM 0 H SER A 5 -2.136 18.546 6.083 1.00 0.00 H new ATOM 0 HA SER A 5 0.201 17.550 4.796 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.396 17.297 7.523 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.402 15.795 7.101 1.00 0.00 H new ATOM 0 HG SER A 5 1.912 15.613 7.021 1.00 0.00 H new ATOM 48 N SER A 6 -1.381 15.986 3.754 1.00 0.00 N ATOM 49 CA SER A 6 -2.324 15.115 3.074 1.00 0.00 C ATOM 50 C SER A 6 -1.663 13.771 2.761 1.00 0.00 C ATOM 51 O SER A 6 -0.438 13.658 2.784 1.00 0.00 O ATOM 52 CB SER A 6 -2.845 15.762 1.790 1.00 0.00 C ATOM 53 OG SER A 6 -4.219 16.127 1.895 1.00 0.00 O ATOM 0 H SER A 6 -0.561 16.240 3.203 1.00 0.00 H new ATOM 0 HA SER A 6 -3.174 14.949 3.736 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.251 16.647 1.563 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.716 15.070 0.957 1.00 0.00 H new ATOM 0 HG SER A 6 -4.513 16.538 1.056 1.00 0.00 H new ATOM 59 N GLY A 7 -2.502 12.787 2.475 1.00 0.00 N ATOM 60 CA GLY A 7 -2.014 11.455 2.157 1.00 0.00 C ATOM 61 C GLY A 7 -1.238 10.861 3.334 1.00 0.00 C ATOM 62 O GLY A 7 -0.335 11.500 3.873 1.00 0.00 O ATOM 0 H GLY A 7 -3.517 12.885 2.457 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.853 10.807 1.906 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.371 11.499 1.278 1.00 0.00 H new ATOM 66 N LEU A 8 -1.616 9.645 3.697 1.00 0.00 N ATOM 67 CA LEU A 8 -0.967 8.957 4.800 1.00 0.00 C ATOM 68 C LEU A 8 -0.153 7.782 4.254 1.00 0.00 C ATOM 69 O LEU A 8 -0.428 7.285 3.163 1.00 0.00 O ATOM 70 CB LEU A 8 -1.994 8.553 5.860 1.00 0.00 C ATOM 71 CG LEU A 8 -1.888 7.120 6.385 1.00 0.00 C ATOM 72 CD1 LEU A 8 -2.501 7.002 7.782 1.00 0.00 C ATOM 73 CD2 LEU A 8 -2.509 6.128 5.401 1.00 0.00 C ATOM 0 H LEU A 8 -2.364 9.118 3.247 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.268 9.623 5.305 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.903 9.236 6.705 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.991 8.693 5.443 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.832 6.866 6.474 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.413 5.974 8.132 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.974 7.665 8.468 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.553 7.283 7.742 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.420 5.117 5.799 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.562 6.370 5.256 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.988 6.189 4.445 1.00 0.00 H new ATOM 85 N THR A 9 0.833 7.372 5.038 1.00 0.00 N ATOM 86 CA THR A 9 1.689 6.264 4.647 1.00 0.00 C ATOM 87 C THR A 9 1.508 5.086 5.605 1.00 0.00 C ATOM 88 O THR A 9 1.009 5.256 6.717 1.00 0.00 O ATOM 89 CB THR A 9 3.128 6.779 4.582 1.00 0.00 C ATOM 90 OG1 THR A 9 3.088 7.798 3.587 1.00 0.00 O ATOM 91 CG2 THR A 9 4.097 5.740 4.014 1.00 0.00 C ATOM 0 H THR A 9 1.059 7.787 5.942 1.00 0.00 H new ATOM 0 HA THR A 9 1.419 5.884 3.661 1.00 0.00 H new ATOM 0 HB THR A 9 3.454 7.071 5.580 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.981 8.188 3.482 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.104 6.157 3.990 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.087 4.851 4.644 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.791 5.472 3.003 1.00 0.00 H new ATOM 99 N VAL A 10 1.922 3.916 5.139 1.00 0.00 N ATOM 100 CA VAL A 10 1.812 2.710 5.941 1.00 0.00 C ATOM 101 C VAL A 10 3.158 1.984 5.950 1.00 0.00 C ATOM 102 O VAL A 10 3.984 2.189 5.062 1.00 0.00 O ATOM 103 CB VAL A 10 0.666 1.839 5.421 1.00 0.00 C ATOM 104 CG1 VAL A 10 0.928 1.392 3.981 1.00 0.00 C ATOM 105 CG2 VAL A 10 0.435 0.634 6.335 1.00 0.00 C ATOM 0 H VAL A 10 2.334 3.778 4.216 1.00 0.00 H new ATOM 0 HA VAL A 10 1.571 2.959 6.974 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.242 2.442 5.425 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.099 0.774 3.635 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.020 2.268 3.339 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.852 0.815 3.942 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.384 0.032 5.943 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.341 0.030 6.377 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.183 0.981 7.337 1.00 0.00 H new ATOM 115 N ASP A 11 3.338 1.150 6.965 1.00 0.00 N ATOM 116 CA ASP A 11 4.570 0.393 7.101 1.00 0.00 C ATOM 117 C ASP A 11 4.234 -1.078 7.358 1.00 0.00 C ATOM 118 O ASP A 11 3.947 -1.464 8.490 1.00 0.00 O ATOM 119 CB ASP A 11 5.401 0.901 8.281 1.00 0.00 C ATOM 120 CG ASP A 11 4.602 1.602 9.381 1.00 0.00 C ATOM 121 OD1 ASP A 11 3.719 0.930 9.957 1.00 0.00 O ATOM 122 OD2 ASP A 11 4.891 2.794 9.620 1.00 0.00 O ATOM 0 H ASP A 11 2.651 0.983 7.700 1.00 0.00 H new ATOM 0 HA ASP A 11 5.141 0.510 6.180 1.00 0.00 H new ATOM 0 HB2 ASP A 11 5.933 0.058 8.721 1.00 0.00 H new ATOM 0 HB3 ASP A 11 6.155 1.592 7.904 1.00 0.00 H new ATOM 127 N VAL A 12 4.282 -1.858 6.289 1.00 0.00 N ATOM 128 CA VAL A 12 3.986 -3.277 6.384 1.00 0.00 C ATOM 129 C VAL A 12 5.261 -4.036 6.757 1.00 0.00 C ATOM 130 O VAL A 12 6.367 -3.556 6.512 1.00 0.00 O ATOM 131 CB VAL A 12 3.357 -3.770 5.079 1.00 0.00 C ATOM 132 CG1 VAL A 12 2.899 -5.224 5.206 1.00 0.00 C ATOM 133 CG2 VAL A 12 2.200 -2.865 4.652 1.00 0.00 C ATOM 0 H VAL A 12 4.522 -1.534 5.352 1.00 0.00 H new ATOM 0 HA VAL A 12 3.255 -3.462 7.171 1.00 0.00 H new ATOM 0 HB VAL A 12 4.120 -3.727 4.302 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.456 -5.549 4.265 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.755 -5.856 5.441 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.159 -5.304 6.002 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.771 -3.238 3.722 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.435 -2.861 5.429 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.568 -1.850 4.501 1.00 0.00 H new ATOM 143 N ALA A 13 5.064 -5.208 7.344 1.00 0.00 N ATOM 144 CA ALA A 13 6.185 -6.037 7.753 1.00 0.00 C ATOM 145 C ALA A 13 6.141 -7.360 6.986 1.00 0.00 C ATOM 146 O ALA A 13 5.304 -8.217 7.267 1.00 0.00 O ATOM 147 CB ALA A 13 6.144 -6.240 9.269 1.00 0.00 C ATOM 0 H ALA A 13 4.145 -5.603 7.546 1.00 0.00 H new ATOM 0 HA ALA A 13 7.130 -5.549 7.515 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.985 -6.862 9.576 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.207 -5.273 9.767 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.210 -6.730 9.545 1.00 0.00 H new ATOM 153 N GLY A 14 7.054 -7.486 6.034 1.00 0.00 N ATOM 154 CA GLY A 14 7.130 -8.691 5.225 1.00 0.00 C ATOM 155 C GLY A 14 7.549 -9.895 6.072 1.00 0.00 C ATOM 156 O GLY A 14 7.512 -9.837 7.300 1.00 0.00 O ATOM 0 H GLY A 14 7.747 -6.774 5.805 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.162 -8.885 4.764 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.845 -8.545 4.415 1.00 0.00 H new ATOM 160 N PRO A 15 7.949 -10.984 5.364 1.00 0.00 N ATOM 161 CA PRO A 15 7.964 -10.968 3.911 1.00 0.00 C ATOM 162 C PRO A 15 6.546 -11.080 3.347 1.00 0.00 C ATOM 163 O PRO A 15 5.570 -10.865 4.065 1.00 0.00 O ATOM 164 CB PRO A 15 8.854 -12.134 3.513 1.00 0.00 C ATOM 165 CG PRO A 15 8.929 -13.037 4.734 1.00 0.00 C ATOM 166 CD PRO A 15 8.397 -12.256 5.925 1.00 0.00 C ATOM 0 HA PRO A 15 8.350 -10.033 3.505 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.440 -12.667 2.658 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.846 -11.787 3.222 1.00 0.00 H new ATOM 0 HG2 PRO A 15 8.341 -13.941 4.577 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.957 -13.353 4.913 1.00 0.00 H new ATOM 0 HD2 PRO A 15 7.577 -12.785 6.411 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.171 -12.106 6.678 1.00 0.00 H new ATOM 174 N ALA A 16 6.477 -11.415 2.067 1.00 0.00 N ATOM 175 CA ALA A 16 5.195 -11.557 1.399 1.00 0.00 C ATOM 176 C ALA A 16 4.675 -12.982 1.600 1.00 0.00 C ATOM 177 O ALA A 16 5.424 -13.868 2.007 1.00 0.00 O ATOM 178 CB ALA A 16 5.346 -11.195 -0.080 1.00 0.00 C ATOM 0 H ALA A 16 7.288 -11.592 1.475 1.00 0.00 H new ATOM 0 HA ALA A 16 4.462 -10.874 1.828 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.384 -11.302 -0.581 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.689 -10.164 -0.169 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.073 -11.861 -0.545 1.00 0.00 H new ATOM 184 N PRO A 17 3.361 -13.163 1.298 1.00 0.00 N ATOM 185 CA PRO A 17 2.544 -12.060 0.822 1.00 0.00 C ATOM 186 C PRO A 17 2.186 -11.109 1.966 1.00 0.00 C ATOM 187 O PRO A 17 2.398 -11.430 3.134 1.00 0.00 O ATOM 188 CB PRO A 17 1.326 -12.715 0.191 1.00 0.00 C ATOM 189 CG PRO A 17 1.281 -14.130 0.746 1.00 0.00 C ATOM 190 CD PRO A 17 2.622 -14.417 1.401 1.00 0.00 C ATOM 0 HA PRO A 17 3.064 -11.435 0.096 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.416 -12.169 0.439 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.406 -12.724 -0.896 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.473 -14.230 1.471 1.00 0.00 H new ATOM 0 HG3 PRO A 17 1.085 -14.847 -0.051 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.498 -14.719 2.441 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.145 -15.228 0.894 1.00 0.00 H new ATOM 198 N TRP A 18 1.649 -9.958 1.590 1.00 0.00 N ATOM 199 CA TRP A 18 1.259 -8.958 2.571 1.00 0.00 C ATOM 200 C TRP A 18 -0.089 -9.376 3.161 1.00 0.00 C ATOM 201 O TRP A 18 -0.231 -9.485 4.378 1.00 0.00 O ATOM 202 CB TRP A 18 1.232 -7.561 1.948 1.00 0.00 C ATOM 203 CG TRP A 18 2.473 -7.225 1.119 1.00 0.00 C ATOM 204 CD1 TRP A 18 2.577 -7.141 -0.214 1.00 0.00 C ATOM 205 CD2 TRP A 18 3.792 -6.929 1.627 1.00 0.00 C ATOM 206 NE1 TRP A 18 3.861 -6.814 -0.602 1.00 0.00 N ATOM 207 CE2 TRP A 18 4.623 -6.681 0.553 1.00 0.00 C ATOM 208 CE3 TRP A 18 4.266 -6.873 2.949 1.00 0.00 C ATOM 209 CZ2 TRP A 18 5.978 -6.360 0.692 1.00 0.00 C ATOM 210 CZ3 TRP A 18 5.623 -6.551 3.070 1.00 0.00 C ATOM 211 CH2 TRP A 18 6.473 -6.298 2.000 1.00 0.00 C ATOM 0 H TRP A 18 1.475 -9.695 0.620 1.00 0.00 H new ATOM 0 HA TRP A 18 1.990 -8.903 3.378 1.00 0.00 H new ATOM 0 HB2 TRP A 18 0.350 -7.474 1.314 1.00 0.00 H new ATOM 0 HB3 TRP A 18 1.127 -6.822 2.742 1.00 0.00 H new ATOM 0 HD1 TRP A 18 1.759 -7.308 -0.899 1.00 0.00 H new ATOM 0 HE1 TRP A 18 4.190 -6.692 -1.560 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.634 -7.063 3.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 6.608 -6.170 -0.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 6.039 -6.495 4.065 1.00 0.00 H new ATOM 0 HH2 TRP A 18 7.510 -6.055 2.177 1.00 0.00 H new ATOM 222 N GLY A 19 -1.046 -9.599 2.272 1.00 0.00 N ATOM 223 CA GLY A 19 -2.377 -10.002 2.690 1.00 0.00 C ATOM 224 C GLY A 19 -3.434 -9.024 2.171 1.00 0.00 C ATOM 225 O GLY A 19 -4.626 -9.210 2.410 1.00 0.00 O ATOM 0 H GLY A 19 -0.925 -9.508 1.263 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.591 -11.005 2.319 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.422 -10.048 3.778 1.00 0.00 H new ATOM 229 N PHE A 20 -2.958 -8.005 1.472 1.00 0.00 N ATOM 230 CA PHE A 20 -3.847 -6.998 0.918 1.00 0.00 C ATOM 231 C PHE A 20 -3.807 -7.013 -0.612 1.00 0.00 C ATOM 232 O PHE A 20 -2.768 -7.294 -1.207 1.00 0.00 O ATOM 233 CB PHE A 20 -3.350 -5.639 1.415 1.00 0.00 C ATOM 234 CG PHE A 20 -2.106 -5.127 0.688 1.00 0.00 C ATOM 235 CD1 PHE A 20 -2.237 -4.385 -0.444 1.00 0.00 C ATOM 236 CD2 PHE A 20 -0.868 -5.414 1.172 1.00 0.00 C ATOM 237 CE1 PHE A 20 -1.082 -3.909 -1.120 1.00 0.00 C ATOM 238 CE2 PHE A 20 0.287 -4.939 0.497 1.00 0.00 C ATOM 239 CZ PHE A 20 0.156 -4.197 -0.635 1.00 0.00 C ATOM 0 H PHE A 20 -1.968 -7.855 1.276 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.872 -7.195 1.231 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -4.150 -4.908 1.303 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.132 -5.711 2.480 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.220 -4.157 -0.829 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.763 -6.004 2.071 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.187 -3.319 -2.018 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.270 -5.167 0.883 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.035 -3.836 -1.149 1.00 0.00 H new ATOM 249 N ARG A 21 -4.952 -6.707 -1.205 1.00 0.00 N ATOM 250 CA ARG A 21 -5.061 -6.681 -2.654 1.00 0.00 C ATOM 251 C ARG A 21 -5.211 -5.242 -3.150 1.00 0.00 C ATOM 252 O ARG A 21 -5.173 -4.302 -2.358 1.00 0.00 O ATOM 253 CB ARG A 21 -6.259 -7.505 -3.131 1.00 0.00 C ATOM 254 CG ARG A 21 -5.926 -8.999 -3.145 1.00 0.00 C ATOM 255 CD ARG A 21 -7.077 -9.811 -3.742 1.00 0.00 C ATOM 256 NE ARG A 21 -6.541 -10.917 -4.567 1.00 0.00 N ATOM 257 CZ ARG A 21 -7.303 -11.820 -5.199 1.00 0.00 C ATOM 258 NH1 ARG A 21 -8.638 -11.754 -5.104 1.00 0.00 N ATOM 259 NH2 ARG A 21 -6.730 -12.789 -5.925 1.00 0.00 N ATOM 0 H ARG A 21 -5.812 -6.475 -0.708 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.149 -7.116 -3.063 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.112 -7.325 -2.477 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.551 -7.184 -4.131 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.018 -9.168 -3.724 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.724 -9.340 -2.130 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -7.703 -10.211 -2.944 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.711 -9.166 -4.351 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.528 -10.997 -4.660 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -9.074 -11.016 -4.551 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -9.218 -12.441 -5.585 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.714 -12.839 -5.997 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -7.310 -13.476 -6.406 1.00 0.00 H new ATOM 273 N ILE A 22 -5.377 -5.115 -4.458 1.00 0.00 N ATOM 274 CA ILE A 22 -5.533 -3.806 -5.069 1.00 0.00 C ATOM 275 C ILE A 22 -6.403 -3.932 -6.321 1.00 0.00 C ATOM 276 O ILE A 22 -6.791 -5.036 -6.703 1.00 0.00 O ATOM 277 CB ILE A 22 -4.166 -3.172 -5.332 1.00 0.00 C ATOM 278 CG1 ILE A 22 -3.315 -4.061 -6.241 1.00 0.00 C ATOM 279 CG2 ILE A 22 -3.451 -2.843 -4.020 1.00 0.00 C ATOM 280 CD1 ILE A 22 -2.178 -3.261 -6.882 1.00 0.00 C ATOM 0 H ILE A 22 -5.407 -5.897 -5.112 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.049 -3.128 -4.389 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.323 -2.230 -5.857 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.902 -4.888 -5.664 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.941 -4.497 -7.019 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.482 -2.394 -4.237 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.055 -2.143 -3.442 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.306 -3.758 -3.445 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.588 -3.916 -7.523 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.595 -2.450 -7.478 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.540 -2.847 -6.102 1.00 0.00 H new ATOM 292 N SER A 23 -6.686 -2.787 -6.925 1.00 0.00 N ATOM 293 CA SER A 23 -7.503 -2.756 -8.125 1.00 0.00 C ATOM 294 C SER A 23 -7.130 -1.544 -8.981 1.00 0.00 C ATOM 295 O SER A 23 -6.256 -0.763 -8.610 1.00 0.00 O ATOM 296 CB SER A 23 -8.993 -2.721 -7.777 1.00 0.00 C ATOM 297 OG SER A 23 -9.744 -3.655 -8.548 1.00 0.00 O ATOM 0 H SER A 23 -6.364 -1.874 -6.605 1.00 0.00 H new ATOM 0 HA SER A 23 -7.311 -3.667 -8.692 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.123 -2.939 -6.717 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.381 -1.717 -7.946 1.00 0.00 H new ATOM 0 HG SER A 23 -10.689 -3.603 -8.295 1.00 0.00 H new ATOM 303 N GLY A 24 -7.811 -1.426 -10.112 1.00 0.00 N ATOM 304 CA GLY A 24 -7.562 -0.322 -11.024 1.00 0.00 C ATOM 305 C GLY A 24 -6.118 -0.345 -11.530 1.00 0.00 C ATOM 306 O GLY A 24 -5.576 -1.409 -11.823 1.00 0.00 O ATOM 0 H GLY A 24 -8.535 -2.077 -10.417 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.248 -0.381 -11.869 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.759 0.624 -10.519 1.00 0.00 H new ATOM 310 N GLY A 25 -5.537 0.843 -11.616 1.00 0.00 N ATOM 311 CA GLY A 25 -4.166 0.973 -12.082 1.00 0.00 C ATOM 312 C GLY A 25 -4.112 1.687 -13.434 1.00 0.00 C ATOM 313 O GLY A 25 -5.122 1.786 -14.129 1.00 0.00 O ATOM 0 H GLY A 25 -5.990 1.724 -11.371 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.580 1.529 -11.350 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.713 -0.014 -12.170 1.00 0.00 H new ATOM 317 N ARG A 26 -2.923 2.167 -13.766 1.00 0.00 N ATOM 318 CA ARG A 26 -2.723 2.870 -15.022 1.00 0.00 C ATOM 319 C ARG A 26 -3.368 2.094 -16.172 1.00 0.00 C ATOM 320 O ARG A 26 -3.960 2.688 -17.072 1.00 0.00 O ATOM 321 CB ARG A 26 -1.234 3.061 -15.316 1.00 0.00 C ATOM 322 CG ARG A 26 -1.024 3.699 -16.691 1.00 0.00 C ATOM 323 CD ARG A 26 -1.693 5.072 -16.766 1.00 0.00 C ATOM 324 NE ARG A 26 -2.643 5.111 -17.900 1.00 0.00 N ATOM 325 CZ ARG A 26 -3.144 6.238 -18.423 1.00 0.00 C ATOM 326 NH1 ARG A 26 -2.788 7.427 -17.917 1.00 0.00 N ATOM 327 NH2 ARG A 26 -4.000 6.178 -19.452 1.00 0.00 N ATOM 0 H ARG A 26 -2.088 2.083 -13.187 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.192 3.850 -14.932 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.786 3.690 -14.547 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -0.725 2.098 -15.277 1.00 0.00 H new ATOM 0 HG2 ARG A 26 0.043 3.799 -16.890 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.433 3.048 -17.464 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -2.218 5.281 -15.834 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -0.937 5.848 -16.887 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.935 4.224 -18.309 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -2.136 7.473 -17.134 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -3.169 8.285 -18.315 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -4.271 5.274 -19.838 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -4.381 7.037 -19.849 1.00 0.00 H new ATOM 341 N ASP A 27 -3.231 0.778 -16.106 1.00 0.00 N ATOM 342 CA ASP A 27 -3.792 -0.086 -17.130 1.00 0.00 C ATOM 343 C ASP A 27 -5.292 0.186 -17.255 1.00 0.00 C ATOM 344 O ASP A 27 -5.793 0.438 -18.350 1.00 0.00 O ATOM 345 CB ASP A 27 -3.607 -1.561 -16.769 1.00 0.00 C ATOM 346 CG ASP A 27 -3.937 -1.918 -15.319 1.00 0.00 C ATOM 347 OD1 ASP A 27 -4.116 -0.967 -14.527 1.00 0.00 O ATOM 348 OD2 ASP A 27 -4.001 -3.133 -15.034 1.00 0.00 O ATOM 0 H ASP A 27 -2.739 0.289 -15.358 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.276 0.123 -18.067 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.234 -2.162 -17.427 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.573 -1.842 -16.970 1.00 0.00 H new ATOM 353 N PHE A 28 -5.969 0.126 -16.117 1.00 0.00 N ATOM 354 CA PHE A 28 -7.402 0.362 -16.085 1.00 0.00 C ATOM 355 C PHE A 28 -7.709 1.860 -16.032 1.00 0.00 C ATOM 356 O PHE A 28 -8.855 2.255 -15.822 1.00 0.00 O ATOM 357 CB PHE A 28 -7.936 -0.301 -14.814 1.00 0.00 C ATOM 358 CG PHE A 28 -7.946 -1.830 -14.867 1.00 0.00 C ATOM 359 CD1 PHE A 28 -9.026 -2.486 -15.372 1.00 0.00 C ATOM 360 CD2 PHE A 28 -6.877 -2.534 -14.409 1.00 0.00 C ATOM 361 CE1 PHE A 28 -9.035 -3.905 -15.422 1.00 0.00 C ATOM 362 CE2 PHE A 28 -6.886 -3.953 -14.458 1.00 0.00 C ATOM 363 CZ PHE A 28 -7.965 -4.609 -14.964 1.00 0.00 C ATOM 0 H PHE A 28 -5.551 -0.083 -15.210 1.00 0.00 H new ATOM 0 HA PHE A 28 -7.867 -0.046 -16.983 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -7.329 0.019 -13.967 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -8.951 0.053 -14.631 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -9.876 -1.927 -15.735 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.020 -2.013 -14.008 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -9.892 -4.426 -15.824 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -6.036 -4.511 -14.094 1.00 0.00 H new ATOM 0 HZ PHE A 28 -7.972 -5.688 -15.002 1.00 0.00 H new ATOM 373 N HIS A 29 -6.665 2.653 -16.226 1.00 0.00 N ATOM 374 CA HIS A 29 -6.810 4.099 -16.203 1.00 0.00 C ATOM 375 C HIS A 29 -7.437 4.531 -14.876 1.00 0.00 C ATOM 376 O HIS A 29 -8.078 5.578 -14.801 1.00 0.00 O ATOM 377 CB HIS A 29 -7.600 4.585 -17.419 1.00 0.00 C ATOM 378 CG HIS A 29 -6.882 4.395 -18.734 1.00 0.00 C ATOM 379 ND1 HIS A 29 -7.063 5.239 -19.816 1.00 0.00 N ATOM 380 CD2 HIS A 29 -5.981 3.450 -19.129 1.00 0.00 C ATOM 381 CE1 HIS A 29 -6.301 4.812 -20.812 1.00 0.00 C ATOM 382 NE2 HIS A 29 -5.632 3.703 -20.385 1.00 0.00 N ATOM 0 H HIS A 29 -5.716 2.322 -16.400 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.828 4.568 -16.270 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.552 4.055 -17.457 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -7.829 5.643 -17.291 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -5.614 2.635 -18.523 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -6.223 5.263 -21.790 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -4.972 3.158 -20.939 1.00 0.00 H new ATOM 390 N THR A 30 -7.231 3.702 -13.863 1.00 0.00 N ATOM 391 CA THR A 30 -7.769 3.986 -12.543 1.00 0.00 C ATOM 392 C THR A 30 -6.656 3.944 -11.494 1.00 0.00 C ATOM 393 O THR A 30 -5.609 3.340 -11.718 1.00 0.00 O ATOM 394 CB THR A 30 -8.899 2.992 -12.270 1.00 0.00 C ATOM 395 OG1 THR A 30 -8.440 1.775 -12.852 1.00 0.00 O ATOM 396 CG2 THR A 30 -10.172 3.322 -13.053 1.00 0.00 C ATOM 0 H THR A 30 -6.699 2.834 -13.930 1.00 0.00 H new ATOM 0 HA THR A 30 -8.183 4.993 -12.492 1.00 0.00 H new ATOM 0 HB THR A 30 -9.122 2.981 -11.203 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.186 1.143 -12.921 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.942 2.586 -12.823 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.524 4.315 -12.773 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.958 3.301 -14.122 1.00 0.00 H new ATOM 404 N PRO A 31 -6.928 4.613 -10.341 1.00 0.00 N ATOM 405 CA PRO A 31 -5.962 4.658 -9.257 1.00 0.00 C ATOM 406 C PRO A 31 -5.912 3.323 -8.511 1.00 0.00 C ATOM 407 O PRO A 31 -6.914 2.613 -8.433 1.00 0.00 O ATOM 408 CB PRO A 31 -6.413 5.812 -8.377 1.00 0.00 C ATOM 409 CG PRO A 31 -7.865 6.073 -8.742 1.00 0.00 C ATOM 410 CD PRO A 31 -8.158 5.340 -10.041 1.00 0.00 C ATOM 0 HA PRO A 31 -4.942 4.816 -9.609 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.315 5.559 -7.321 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.802 6.697 -8.551 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.527 5.724 -7.949 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -8.043 7.142 -8.858 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.003 4.660 -9.930 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.412 6.036 -10.840 1.00 0.00 H new ATOM 418 N ILE A 32 -4.735 3.021 -7.982 1.00 0.00 N ATOM 419 CA ILE A 32 -4.541 1.783 -7.246 1.00 0.00 C ATOM 420 C ILE A 32 -5.298 1.860 -5.919 1.00 0.00 C ATOM 421 O ILE A 32 -4.898 2.592 -5.014 1.00 0.00 O ATOM 422 CB ILE A 32 -3.049 1.483 -7.087 1.00 0.00 C ATOM 423 CG1 ILE A 32 -2.375 1.314 -8.450 1.00 0.00 C ATOM 424 CG2 ILE A 32 -2.828 0.268 -6.184 1.00 0.00 C ATOM 425 CD1 ILE A 32 -2.367 -0.154 -8.880 1.00 0.00 C ATOM 0 H ILE A 32 -3.906 3.612 -8.048 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.955 0.941 -7.801 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.579 2.337 -6.599 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.899 1.912 -9.195 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.352 1.688 -8.403 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.759 0.076 -6.087 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.252 0.465 -5.199 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.315 -0.604 -6.621 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.882 -0.246 -9.852 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.821 -0.745 -8.145 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.392 -0.518 -8.950 1.00 0.00 H new ATOM 437 N ILE A 33 -6.377 1.096 -5.844 1.00 0.00 N ATOM 438 CA ILE A 33 -7.194 1.069 -4.643 1.00 0.00 C ATOM 439 C ILE A 33 -7.180 -0.343 -4.054 1.00 0.00 C ATOM 440 O ILE A 33 -7.145 -1.327 -4.791 1.00 0.00 O ATOM 441 CB ILE A 33 -8.599 1.598 -4.937 1.00 0.00 C ATOM 442 CG1 ILE A 33 -8.570 3.101 -5.223 1.00 0.00 C ATOM 443 CG2 ILE A 33 -9.565 1.249 -3.803 1.00 0.00 C ATOM 444 CD1 ILE A 33 -9.469 3.451 -6.410 1.00 0.00 C ATOM 0 H ILE A 33 -6.705 0.490 -6.596 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.780 1.736 -3.886 1.00 0.00 H new ATOM 0 HB ILE A 33 -8.968 1.106 -5.837 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.898 3.649 -4.340 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.547 3.415 -5.432 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -10.556 1.637 -4.037 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -9.616 0.166 -3.689 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.211 1.695 -2.874 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.430 4.525 -6.592 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.124 2.920 -7.297 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -10.495 3.158 -6.188 1.00 0.00 H new ATOM 456 N VAL A 34 -7.208 -0.398 -2.730 1.00 0.00 N ATOM 457 CA VAL A 34 -7.199 -1.674 -2.034 1.00 0.00 C ATOM 458 C VAL A 34 -8.612 -2.261 -2.036 1.00 0.00 C ATOM 459 O VAL A 34 -9.563 -1.600 -1.622 1.00 0.00 O ATOM 460 CB VAL A 34 -6.626 -1.497 -0.626 1.00 0.00 C ATOM 461 CG1 VAL A 34 -6.732 -2.796 0.176 1.00 0.00 C ATOM 462 CG2 VAL A 34 -5.180 -1.002 -0.680 1.00 0.00 C ATOM 0 H VAL A 34 -7.237 0.420 -2.121 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.552 -2.385 -2.547 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.220 -0.739 -0.116 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.318 -2.643 1.173 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.779 -3.088 0.259 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.175 -3.583 -0.332 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.797 -0.885 0.334 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.567 -1.726 -1.218 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.143 -0.042 -1.195 1.00 0.00 H new ATOM 472 N THR A 35 -8.704 -3.496 -2.505 1.00 0.00 N ATOM 473 CA THR A 35 -9.985 -4.180 -2.566 1.00 0.00 C ATOM 474 C THR A 35 -10.316 -4.813 -1.213 1.00 0.00 C ATOM 475 O THR A 35 -11.370 -4.543 -0.639 1.00 0.00 O ATOM 476 CB THR A 35 -9.926 -5.192 -3.712 1.00 0.00 C ATOM 477 OG1 THR A 35 -8.645 -5.800 -3.573 1.00 0.00 O ATOM 478 CG2 THR A 35 -9.873 -4.519 -5.085 1.00 0.00 C ATOM 0 H THR A 35 -7.913 -4.041 -2.847 1.00 0.00 H new ATOM 0 HA THR A 35 -10.797 -3.482 -2.771 1.00 0.00 H new ATOM 0 HB THR A 35 -10.796 -5.847 -3.663 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.182 -5.788 -4.437 1.00 0.00 H new ATOM 0 HG21 THR A 35 -9.832 -5.282 -5.863 1.00 0.00 H new ATOM 0 HG22 THR A 35 -10.763 -3.906 -5.224 1.00 0.00 H new ATOM 0 HG23 THR A 35 -8.986 -3.889 -5.148 1.00 0.00 H new ATOM 486 N LYS A 36 -9.397 -5.642 -0.743 1.00 0.00 N ATOM 487 CA LYS A 36 -9.578 -6.316 0.532 1.00 0.00 C ATOM 488 C LYS A 36 -8.209 -6.639 1.133 1.00 0.00 C ATOM 489 O LYS A 36 -7.241 -6.848 0.404 1.00 0.00 O ATOM 490 CB LYS A 36 -10.482 -7.539 0.368 1.00 0.00 C ATOM 491 CG LYS A 36 -11.812 -7.340 1.097 1.00 0.00 C ATOM 492 CD LYS A 36 -12.497 -8.682 1.365 1.00 0.00 C ATOM 493 CE LYS A 36 -13.700 -8.508 2.294 1.00 0.00 C ATOM 494 NZ LYS A 36 -14.274 -9.825 2.651 1.00 0.00 N ATOM 0 H LYS A 36 -8.524 -5.863 -1.222 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.090 -5.663 1.239 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.667 -7.719 -0.691 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.978 -8.423 0.758 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.640 -6.821 2.040 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.467 -6.706 0.499 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.822 -9.123 0.423 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.785 -9.375 1.813 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -13.396 -7.980 3.198 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -14.458 -7.894 1.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -15.089 -9.689 3.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -14.583 -10.315 1.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -13.554 -10.398 3.135 1.00 0.00 H new ATOM 508 N VAL A 37 -8.172 -6.670 2.457 1.00 0.00 N ATOM 509 CA VAL A 37 -6.937 -6.964 3.164 1.00 0.00 C ATOM 510 C VAL A 37 -7.255 -7.780 4.419 1.00 0.00 C ATOM 511 O VAL A 37 -8.154 -7.427 5.181 1.00 0.00 O ATOM 512 CB VAL A 37 -6.186 -5.666 3.469 1.00 0.00 C ATOM 513 CG1 VAL A 37 -7.162 -4.522 3.750 1.00 0.00 C ATOM 514 CG2 VAL A 37 -5.213 -5.856 4.634 1.00 0.00 C ATOM 0 H VAL A 37 -8.977 -6.496 3.059 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.276 -7.568 2.542 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.603 -5.400 2.587 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.603 -3.611 3.964 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -7.796 -4.362 2.878 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -7.783 -4.776 4.609 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.692 -4.919 4.830 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.765 -6.157 5.524 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.487 -6.628 4.379 1.00 0.00 H new ATOM 524 N THR A 38 -6.500 -8.854 4.595 1.00 0.00 N ATOM 525 CA THR A 38 -6.690 -9.722 5.744 1.00 0.00 C ATOM 526 C THR A 38 -6.765 -8.896 7.030 1.00 0.00 C ATOM 527 O THR A 38 -5.984 -7.966 7.221 1.00 0.00 O ATOM 528 CB THR A 38 -5.559 -10.753 5.750 1.00 0.00 C ATOM 529 OG1 THR A 38 -6.018 -11.777 4.872 1.00 0.00 O ATOM 530 CG2 THR A 38 -5.416 -11.458 7.101 1.00 0.00 C ATOM 0 H THR A 38 -5.755 -9.143 3.961 1.00 0.00 H new ATOM 0 HA THR A 38 -7.638 -10.257 5.683 1.00 0.00 H new ATOM 0 HB THR A 38 -4.620 -10.262 5.495 1.00 0.00 H new ATOM 0 HG1 THR A 38 -5.344 -12.486 4.816 1.00 0.00 H new ATOM 0 HG21 THR A 38 -4.600 -12.179 7.051 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.202 -10.721 7.875 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.344 -11.977 7.341 1.00 0.00 H new ATOM 538 N GLU A 39 -7.714 -9.266 7.878 1.00 0.00 N ATOM 539 CA GLU A 39 -7.902 -8.571 9.140 1.00 0.00 C ATOM 540 C GLU A 39 -6.894 -9.070 10.176 1.00 0.00 C ATOM 541 O GLU A 39 -6.581 -10.259 10.221 1.00 0.00 O ATOM 542 CB GLU A 39 -9.336 -8.734 9.647 1.00 0.00 C ATOM 543 CG GLU A 39 -9.476 -8.204 11.076 1.00 0.00 C ATOM 544 CD GLU A 39 -10.878 -8.474 11.626 1.00 0.00 C ATOM 545 OE1 GLU A 39 -11.321 -9.636 11.505 1.00 0.00 O ATOM 546 OE2 GLU A 39 -11.475 -7.512 12.155 1.00 0.00 O ATOM 0 H GLU A 39 -8.361 -10.038 7.716 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.728 -7.507 8.976 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.021 -8.200 8.989 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.619 -9.786 9.616 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.732 -8.677 11.718 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.275 -7.133 11.092 1.00 0.00 H new ATOM 553 N ARG A 40 -6.412 -8.137 10.984 1.00 0.00 N ATOM 554 CA ARG A 40 -5.446 -8.467 12.017 1.00 0.00 C ATOM 555 C ARG A 40 -4.267 -9.234 11.415 1.00 0.00 C ATOM 556 O ARG A 40 -3.567 -9.959 12.122 1.00 0.00 O ATOM 557 CB ARG A 40 -6.086 -9.313 13.120 1.00 0.00 C ATOM 558 CG ARG A 40 -7.102 -8.495 13.919 1.00 0.00 C ATOM 559 CD ARG A 40 -6.554 -8.139 15.302 1.00 0.00 C ATOM 560 NE ARG A 40 -7.342 -7.032 15.889 1.00 0.00 N ATOM 561 CZ ARG A 40 -6.978 -6.350 16.984 1.00 0.00 C ATOM 562 NH1 ARG A 40 -5.838 -6.656 17.617 1.00 0.00 N ATOM 563 NH2 ARG A 40 -7.756 -5.361 17.445 1.00 0.00 N ATOM 0 H ARG A 40 -6.673 -7.152 10.944 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.092 -7.532 12.451 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.578 -10.180 12.679 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.312 -9.691 13.788 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.348 -7.583 13.375 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.027 -9.061 14.025 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.595 -9.011 15.954 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.506 -7.849 15.223 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.216 -6.772 15.432 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.246 -7.409 17.266 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.562 -6.136 18.450 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.624 -5.128 16.963 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.480 -4.841 18.278 1.00 0.00 H new ATOM 577 N GLY A 41 -4.082 -9.048 10.117 1.00 0.00 N ATOM 578 CA GLY A 41 -3.000 -9.713 9.412 1.00 0.00 C ATOM 579 C GLY A 41 -1.720 -8.875 9.456 1.00 0.00 C ATOM 580 O GLY A 41 -1.387 -8.298 10.490 1.00 0.00 O ATOM 0 H GLY A 41 -4.664 -8.446 9.534 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.815 -10.689 9.860 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.289 -9.887 8.376 1.00 0.00 H new ATOM 584 N LYS A 42 -1.038 -8.835 8.321 1.00 0.00 N ATOM 585 CA LYS A 42 0.198 -8.077 8.218 1.00 0.00 C ATOM 586 C LYS A 42 -0.128 -6.622 7.877 1.00 0.00 C ATOM 587 O LYS A 42 0.176 -5.716 8.651 1.00 0.00 O ATOM 588 CB LYS A 42 1.153 -8.742 7.224 1.00 0.00 C ATOM 589 CG LYS A 42 1.551 -10.141 7.699 1.00 0.00 C ATOM 590 CD LYS A 42 3.066 -10.340 7.607 1.00 0.00 C ATOM 591 CE LYS A 42 3.405 -11.612 6.829 1.00 0.00 C ATOM 592 NZ LYS A 42 3.481 -11.328 5.378 1.00 0.00 N ATOM 0 H LYS A 42 -1.317 -9.315 7.465 1.00 0.00 H new ATOM 0 HA LYS A 42 0.722 -8.071 9.174 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.677 -8.808 6.245 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.045 -8.127 7.104 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.223 -10.287 8.728 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.044 -10.893 7.094 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.521 -9.478 7.118 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.490 -10.398 8.609 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.356 -12.015 7.177 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.648 -12.373 7.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.838 -11.965 4.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.203 -10.341 5.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.455 -11.478 5.045 1.00 0.00 H new ATOM 606 N ALA A 43 -0.743 -6.442 6.717 1.00 0.00 N ATOM 607 CA ALA A 43 -1.114 -5.112 6.264 1.00 0.00 C ATOM 608 C ALA A 43 -1.890 -4.399 7.373 1.00 0.00 C ATOM 609 O ALA A 43 -1.420 -3.405 7.924 1.00 0.00 O ATOM 610 CB ALA A 43 -1.917 -5.220 4.967 1.00 0.00 C ATOM 0 H ALA A 43 -0.994 -7.196 6.077 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.226 -4.518 6.049 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.195 -4.222 4.627 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.311 -5.708 4.203 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.818 -5.807 5.145 1.00 0.00 H new ATOM 616 N GLU A 44 -3.066 -4.934 7.667 1.00 0.00 N ATOM 617 CA GLU A 44 -3.912 -4.361 8.700 1.00 0.00 C ATOM 618 C GLU A 44 -3.060 -3.867 9.871 1.00 0.00 C ATOM 619 O GLU A 44 -3.226 -2.739 10.332 1.00 0.00 O ATOM 620 CB GLU A 44 -4.961 -5.370 9.172 1.00 0.00 C ATOM 621 CG GLU A 44 -6.175 -4.659 9.773 1.00 0.00 C ATOM 622 CD GLU A 44 -6.220 -4.840 11.292 1.00 0.00 C ATOM 623 OE1 GLU A 44 -5.147 -4.684 11.914 1.00 0.00 O ATOM 624 OE2 GLU A 44 -7.327 -5.130 11.796 1.00 0.00 O ATOM 0 H GLU A 44 -3.453 -5.758 7.208 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.441 -3.508 8.276 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.277 -5.991 8.333 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.521 -6.037 9.914 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.136 -3.597 9.531 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.089 -5.054 9.329 1.00 0.00 H new ATOM 631 N ALA A 45 -2.166 -4.736 10.318 1.00 0.00 N ATOM 632 CA ALA A 45 -1.287 -4.402 11.426 1.00 0.00 C ATOM 633 C ALA A 45 -0.700 -3.007 11.204 1.00 0.00 C ATOM 634 O ALA A 45 -0.827 -2.133 12.060 1.00 0.00 O ATOM 635 CB ALA A 45 -0.204 -5.475 11.560 1.00 0.00 C ATOM 0 H ALA A 45 -2.031 -5.671 9.933 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.843 -4.380 12.363 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.455 -5.225 12.391 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.671 -6.442 11.746 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.376 -5.524 10.638 1.00 0.00 H new ATOM 641 N ALA A 46 -0.071 -2.841 10.050 1.00 0.00 N ATOM 642 CA ALA A 46 0.535 -1.567 9.704 1.00 0.00 C ATOM 643 C ALA A 46 -0.519 -0.462 9.804 1.00 0.00 C ATOM 644 O ALA A 46 -0.654 0.180 10.844 1.00 0.00 O ATOM 645 CB ALA A 46 1.155 -1.657 8.308 1.00 0.00 C ATOM 0 H ALA A 46 0.032 -3.568 9.342 1.00 0.00 H new ATOM 0 HA ALA A 46 1.337 -1.322 10.401 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.609 -0.701 8.049 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.918 -2.436 8.298 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.380 -1.899 7.581 1.00 0.00 H new ATOM 651 N ASP A 47 -1.238 -0.274 8.707 1.00 0.00 N ATOM 652 CA ASP A 47 -2.276 0.742 8.658 1.00 0.00 C ATOM 653 C ASP A 47 -2.872 0.788 7.250 1.00 0.00 C ATOM 654 O ASP A 47 -3.163 1.864 6.730 1.00 0.00 O ATOM 655 CB ASP A 47 -1.707 2.126 8.976 1.00 0.00 C ATOM 656 CG ASP A 47 -2.587 2.996 9.875 1.00 0.00 C ATOM 657 OD1 ASP A 47 -2.630 2.697 11.088 1.00 0.00 O ATOM 658 OD2 ASP A 47 -3.198 3.941 9.329 1.00 0.00 O ATOM 0 H ASP A 47 -1.122 -0.808 7.846 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.035 0.485 9.397 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.736 2.002 9.455 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.535 2.656 8.039 1.00 0.00 H new ATOM 663 N LEU A 48 -3.036 -0.393 6.672 1.00 0.00 N ATOM 664 CA LEU A 48 -3.592 -0.501 5.334 1.00 0.00 C ATOM 665 C LEU A 48 -5.047 -0.967 5.427 1.00 0.00 C ATOM 666 O LEU A 48 -5.415 -1.682 6.358 1.00 0.00 O ATOM 667 CB LEU A 48 -2.714 -1.398 4.459 1.00 0.00 C ATOM 668 CG LEU A 48 -3.087 -1.462 2.977 1.00 0.00 C ATOM 669 CD1 LEU A 48 -2.849 -0.114 2.293 1.00 0.00 C ATOM 670 CD2 LEU A 48 -2.346 -2.600 2.274 1.00 0.00 C ATOM 0 H LEU A 48 -2.793 -1.284 7.106 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.599 0.473 4.845 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.683 -1.053 4.539 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.744 -2.409 4.865 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.153 -1.677 2.902 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.122 -0.187 1.240 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.459 0.651 2.774 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.796 0.156 2.377 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.629 -2.623 1.222 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.271 -2.440 2.357 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.609 -3.549 2.742 1.00 0.00 H new ATOM 682 N ARG A 49 -5.834 -0.542 4.450 1.00 0.00 N ATOM 683 CA ARG A 49 -7.240 -0.907 4.410 1.00 0.00 C ATOM 684 C ARG A 49 -7.768 -0.830 2.976 1.00 0.00 C ATOM 685 O ARG A 49 -7.206 -0.123 2.141 1.00 0.00 O ATOM 686 CB ARG A 49 -8.074 0.014 5.303 1.00 0.00 C ATOM 687 CG ARG A 49 -8.422 -0.673 6.625 1.00 0.00 C ATOM 688 CD ARG A 49 -8.464 0.338 7.773 1.00 0.00 C ATOM 689 NE ARG A 49 -8.108 -0.327 9.046 1.00 0.00 N ATOM 690 CZ ARG A 49 -8.222 0.248 10.251 1.00 0.00 C ATOM 691 NH1 ARG A 49 -8.683 1.502 10.355 1.00 0.00 N ATOM 692 NH2 ARG A 49 -7.875 -0.431 11.353 1.00 0.00 N ATOM 0 H ARG A 49 -5.525 0.052 3.680 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.328 -1.929 4.779 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.522 0.933 5.501 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -8.990 0.298 4.784 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.388 -1.170 6.538 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.685 -1.446 6.843 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.771 1.156 7.574 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.460 0.775 7.847 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.754 -1.283 9.004 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.947 2.019 9.517 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.770 1.939 11.273 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -7.524 -1.386 11.275 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.962 0.007 12.270 1.00 0.00 H new ATOM 706 N PRO A 50 -8.870 -1.587 2.727 1.00 0.00 N ATOM 707 CA PRO A 50 -9.480 -1.612 1.409 1.00 0.00 C ATOM 708 C PRO A 50 -10.262 -0.324 1.143 1.00 0.00 C ATOM 709 O PRO A 50 -11.145 0.042 1.916 1.00 0.00 O ATOM 710 CB PRO A 50 -10.359 -2.852 1.404 1.00 0.00 C ATOM 711 CG PRO A 50 -10.571 -3.217 2.864 1.00 0.00 C ATOM 712 CD PRO A 50 -9.562 -2.437 3.692 1.00 0.00 C ATOM 0 HA PRO A 50 -8.744 -1.659 0.606 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.310 -2.655 0.908 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -9.880 -3.668 0.863 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -11.588 -2.975 3.174 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.439 -4.289 3.012 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -10.055 -1.843 4.461 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -8.867 -3.105 4.202 1.00 0.00 H new ATOM 720 N GLY A 51 -9.908 0.329 0.045 1.00 0.00 N ATOM 721 CA GLY A 51 -10.566 1.569 -0.333 1.00 0.00 C ATOM 722 C GLY A 51 -9.569 2.729 -0.368 1.00 0.00 C ATOM 723 O GLY A 51 -9.906 3.828 -0.806 1.00 0.00 O ATOM 0 H GLY A 51 -9.175 0.023 -0.594 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -11.031 1.455 -1.312 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.364 1.792 0.375 1.00 0.00 H new ATOM 727 N ASP A 52 -8.362 2.446 0.098 1.00 0.00 N ATOM 728 CA ASP A 52 -7.315 3.452 0.126 1.00 0.00 C ATOM 729 C ASP A 52 -6.673 3.551 -1.259 1.00 0.00 C ATOM 730 O ASP A 52 -6.435 2.535 -1.911 1.00 0.00 O ATOM 731 CB ASP A 52 -6.221 3.081 1.129 1.00 0.00 C ATOM 732 CG ASP A 52 -6.595 3.284 2.598 1.00 0.00 C ATOM 733 OD1 ASP A 52 -6.469 4.438 3.062 1.00 0.00 O ATOM 734 OD2 ASP A 52 -6.998 2.281 3.225 1.00 0.00 O ATOM 0 H ASP A 52 -8.086 1.533 0.460 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.766 4.400 0.419 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.951 2.036 0.979 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.333 3.674 0.911 1.00 0.00 H new ATOM 739 N ILE A 53 -6.410 4.784 -1.668 1.00 0.00 N ATOM 740 CA ILE A 53 -5.800 5.029 -2.964 1.00 0.00 C ATOM 741 C ILE A 53 -4.281 5.109 -2.801 1.00 0.00 C ATOM 742 O ILE A 53 -3.774 5.977 -2.091 1.00 0.00 O ATOM 743 CB ILE A 53 -6.414 6.267 -3.620 1.00 0.00 C ATOM 744 CG1 ILE A 53 -7.899 6.049 -3.918 1.00 0.00 C ATOM 745 CG2 ILE A 53 -5.631 6.670 -4.871 1.00 0.00 C ATOM 746 CD1 ILE A 53 -8.603 7.379 -4.197 1.00 0.00 C ATOM 0 H ILE A 53 -6.608 5.624 -1.124 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.005 4.202 -3.644 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.345 7.097 -2.917 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -8.008 5.388 -4.778 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -8.374 5.552 -3.072 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.088 7.553 -5.318 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.600 6.894 -4.598 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.646 5.850 -5.589 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -9.657 7.196 -4.406 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -8.513 8.028 -3.326 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -8.141 7.862 -5.058 1.00 0.00 H new ATOM 758 N ILE A 54 -3.596 4.193 -3.470 1.00 0.00 N ATOM 759 CA ILE A 54 -2.145 4.150 -3.407 1.00 0.00 C ATOM 760 C ILE A 54 -1.568 5.279 -4.264 1.00 0.00 C ATOM 761 O ILE A 54 -1.784 5.318 -5.474 1.00 0.00 O ATOM 762 CB ILE A 54 -1.634 2.761 -3.795 1.00 0.00 C ATOM 763 CG1 ILE A 54 -1.817 1.768 -2.646 1.00 0.00 C ATOM 764 CG2 ILE A 54 -0.181 2.825 -4.271 1.00 0.00 C ATOM 765 CD1 ILE A 54 -1.431 0.352 -3.078 1.00 0.00 C ATOM 0 H ILE A 54 -4.019 3.475 -4.058 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.802 4.317 -2.386 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.232 2.399 -4.631 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.205 2.072 -1.797 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.855 1.780 -2.312 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.158 1.825 -4.541 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.111 3.478 -5.141 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.447 3.217 -3.471 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.570 -0.334 -2.243 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.061 0.041 -3.912 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.386 0.338 -3.388 1.00 0.00 H new ATOM 777 N VAL A 55 -0.846 6.171 -3.601 1.00 0.00 N ATOM 778 CA VAL A 55 -0.237 7.298 -4.287 1.00 0.00 C ATOM 779 C VAL A 55 1.158 6.900 -4.773 1.00 0.00 C ATOM 780 O VAL A 55 1.521 7.170 -5.917 1.00 0.00 O ATOM 781 CB VAL A 55 -0.223 8.523 -3.370 1.00 0.00 C ATOM 782 CG1 VAL A 55 -0.350 9.815 -4.179 1.00 0.00 C ATOM 783 CG2 VAL A 55 -1.324 8.428 -2.312 1.00 0.00 C ATOM 0 H VAL A 55 -0.669 6.136 -2.597 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.822 7.572 -5.165 1.00 0.00 H new ATOM 0 HB VAL A 55 0.737 8.544 -2.854 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.337 10.670 -3.503 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.484 9.891 -4.876 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.288 9.806 -4.735 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.292 9.311 -1.673 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.296 8.370 -2.802 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.170 7.536 -1.705 1.00 0.00 H new ATOM 793 N ALA A 56 1.903 6.264 -3.880 1.00 0.00 N ATOM 794 CA ALA A 56 3.250 5.826 -4.204 1.00 0.00 C ATOM 795 C ALA A 56 3.486 4.436 -3.610 1.00 0.00 C ATOM 796 O ALA A 56 2.667 3.939 -2.839 1.00 0.00 O ATOM 797 CB ALA A 56 4.258 6.858 -3.695 1.00 0.00 C ATOM 0 H ALA A 56 1.599 6.042 -2.932 1.00 0.00 H new ATOM 0 HA ALA A 56 3.380 5.749 -5.283 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.269 6.530 -3.938 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.065 7.820 -4.170 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.160 6.960 -2.614 1.00 0.00 H new ATOM 803 N ILE A 57 4.611 3.849 -3.990 1.00 0.00 N ATOM 804 CA ILE A 57 4.966 2.526 -3.504 1.00 0.00 C ATOM 805 C ILE A 57 6.424 2.532 -3.040 1.00 0.00 C ATOM 806 O ILE A 57 7.340 2.476 -3.859 1.00 0.00 O ATOM 807 CB ILE A 57 4.663 1.466 -4.566 1.00 0.00 C ATOM 808 CG1 ILE A 57 3.156 1.325 -4.785 1.00 0.00 C ATOM 809 CG2 ILE A 57 5.318 0.130 -4.209 1.00 0.00 C ATOM 810 CD1 ILE A 57 2.855 0.322 -5.900 1.00 0.00 C ATOM 0 H ILE A 57 5.289 4.265 -4.629 1.00 0.00 H new ATOM 0 HA ILE A 57 4.357 2.262 -2.640 1.00 0.00 H new ATOM 0 HB ILE A 57 5.096 1.795 -5.511 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.679 1.000 -3.860 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.730 2.295 -5.039 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.087 -0.606 -4.979 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.398 0.260 -4.144 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.936 -0.218 -3.249 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.776 0.241 -6.035 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.312 0.663 -6.829 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.261 -0.653 -5.632 1.00 0.00 H new ATOM 822 N ASN A 58 6.593 2.601 -1.728 1.00 0.00 N ATOM 823 CA ASN A 58 7.924 2.615 -1.144 1.00 0.00 C ATOM 824 C ASN A 58 8.574 3.976 -1.401 1.00 0.00 C ATOM 825 O ASN A 58 9.765 4.156 -1.152 1.00 0.00 O ATOM 826 CB ASN A 58 8.812 1.540 -1.774 1.00 0.00 C ATOM 827 CG ASN A 58 9.512 0.708 -0.698 1.00 0.00 C ATOM 828 OD1 ASN A 58 8.841 -0.381 -0.334 1.00 0.00 O flip ATOM 829 ND2 ASN A 58 10.591 1.033 -0.228 1.00 0.00 N flip ATOM 0 H ASN A 58 5.830 2.648 -1.052 1.00 0.00 H new ATOM 0 HA ASN A 58 7.827 2.422 -0.076 1.00 0.00 H new ATOM 0 HB2 ASN A 58 8.208 0.889 -2.407 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.556 2.009 -2.418 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.053 1.882 -0.552 1.00 0.00 H new ATOM 0 HD22 ASN A 58 11.030 0.455 0.489 1.00 0.00 H new ATOM 836 N GLY A 59 7.763 4.899 -1.896 1.00 0.00 N ATOM 837 CA GLY A 59 8.244 6.239 -2.189 1.00 0.00 C ATOM 838 C GLY A 59 8.196 6.522 -3.692 1.00 0.00 C ATOM 839 O GLY A 59 8.381 7.661 -4.119 1.00 0.00 O ATOM 0 H GLY A 59 6.776 4.746 -2.102 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.636 6.972 -1.658 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.266 6.350 -1.827 1.00 0.00 H new ATOM 843 N GLN A 60 7.946 5.467 -4.453 1.00 0.00 N ATOM 844 CA GLN A 60 7.871 5.587 -5.899 1.00 0.00 C ATOM 845 C GLN A 60 6.429 5.851 -6.336 1.00 0.00 C ATOM 846 O GLN A 60 5.539 5.044 -6.071 1.00 0.00 O ATOM 847 CB GLN A 60 8.432 4.339 -6.583 1.00 0.00 C ATOM 848 CG GLN A 60 8.132 4.355 -8.083 1.00 0.00 C ATOM 849 CD GLN A 60 9.426 4.360 -8.901 1.00 0.00 C ATOM 850 OE1 GLN A 60 9.853 5.373 -9.430 1.00 0.00 O ATOM 851 NE2 GLN A 60 10.023 3.174 -8.975 1.00 0.00 N ATOM 0 H GLN A 60 7.793 4.524 -4.095 1.00 0.00 H new ATOM 0 HA GLN A 60 8.483 6.435 -6.206 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.509 4.286 -6.424 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.999 3.447 -6.131 1.00 0.00 H new ATOM 0 HG2 GLN A 60 7.534 3.483 -8.347 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.538 5.235 -8.329 1.00 0.00 H new ATOM 0 HE21 GLN A 60 9.611 2.366 -8.508 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.892 3.072 -9.499 1.00 0.00 H new ATOM 860 N SER A 61 6.242 6.984 -6.997 1.00 0.00 N ATOM 861 CA SER A 61 4.923 7.363 -7.473 1.00 0.00 C ATOM 862 C SER A 61 4.189 6.136 -8.018 1.00 0.00 C ATOM 863 O SER A 61 4.786 5.304 -8.700 1.00 0.00 O ATOM 864 CB SER A 61 5.016 8.446 -8.550 1.00 0.00 C ATOM 865 OG SER A 61 5.551 9.664 -8.037 1.00 0.00 O ATOM 0 H SER A 61 6.982 7.652 -7.214 1.00 0.00 H new ATOM 0 HA SER A 61 4.362 7.771 -6.632 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.643 8.091 -9.368 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.025 8.631 -8.965 1.00 0.00 H new ATOM 0 HG SER A 61 5.596 10.330 -8.755 1.00 0.00 H new ATOM 871 N ALA A 62 2.906 6.061 -7.695 1.00 0.00 N ATOM 872 CA ALA A 62 2.086 4.949 -8.144 1.00 0.00 C ATOM 873 C ALA A 62 0.847 5.491 -8.860 1.00 0.00 C ATOM 874 O ALA A 62 -0.145 4.782 -9.016 1.00 0.00 O ATOM 875 CB ALA A 62 1.727 4.065 -6.948 1.00 0.00 C ATOM 0 H ALA A 62 2.415 6.752 -7.128 1.00 0.00 H new ATOM 0 HA ALA A 62 2.634 4.331 -8.855 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.112 3.230 -7.284 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.640 3.682 -6.492 1.00 0.00 H new ATOM 0 HB3 ALA A 62 1.173 4.652 -6.215 1.00 0.00 H new ATOM 881 N GLU A 63 0.946 6.745 -9.278 1.00 0.00 N ATOM 882 CA GLU A 63 -0.154 7.391 -9.975 1.00 0.00 C ATOM 883 C GLU A 63 -0.453 6.660 -11.285 1.00 0.00 C ATOM 884 O GLU A 63 -1.600 6.305 -11.554 1.00 0.00 O ATOM 885 CB GLU A 63 0.150 8.869 -10.228 1.00 0.00 C ATOM 886 CG GLU A 63 -0.581 9.759 -9.220 1.00 0.00 C ATOM 887 CD GLU A 63 -1.690 10.563 -9.902 1.00 0.00 C ATOM 888 OE1 GLU A 63 -2.667 9.921 -10.344 1.00 0.00 O ATOM 889 OE2 GLU A 63 -1.535 11.801 -9.967 1.00 0.00 O ATOM 0 H GLU A 63 1.771 7.331 -9.147 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.040 7.340 -9.343 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.224 9.040 -10.158 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.150 9.138 -11.241 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.008 9.143 -8.428 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.128 10.439 -8.748 1.00 0.00 H new ATOM 896 N ASN A 64 0.597 6.458 -12.067 1.00 0.00 N ATOM 897 CA ASN A 64 0.461 5.777 -13.343 1.00 0.00 C ATOM 898 C ASN A 64 1.097 4.389 -13.246 1.00 0.00 C ATOM 899 O ASN A 64 1.902 4.010 -14.095 1.00 0.00 O ATOM 900 CB ASN A 64 1.173 6.546 -14.457 1.00 0.00 C ATOM 901 CG ASN A 64 2.532 7.064 -13.984 1.00 0.00 C ATOM 902 OD1 ASN A 64 3.433 6.310 -13.656 1.00 0.00 O ATOM 903 ND2 ASN A 64 2.629 8.391 -13.966 1.00 0.00 N ATOM 0 H ASN A 64 1.547 6.754 -11.841 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.602 5.707 -13.576 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.308 5.897 -15.322 1.00 0.00 H new ATOM 0 HB3 ASN A 64 0.553 7.383 -14.780 1.00 0.00 H new ATOM 0 HD21 ASN A 64 3.496 8.835 -13.665 1.00 0.00 H new ATOM 0 HD22 ASN A 64 1.836 8.964 -14.254 1.00 0.00 H new ATOM 910 N MET A 65 0.713 3.668 -12.202 1.00 0.00 N ATOM 911 CA MET A 65 1.236 2.331 -11.983 1.00 0.00 C ATOM 912 C MET A 65 0.244 1.269 -12.462 1.00 0.00 C ATOM 913 O MET A 65 -0.898 1.230 -12.007 1.00 0.00 O ATOM 914 CB MET A 65 1.518 2.131 -10.492 1.00 0.00 C ATOM 915 CG MET A 65 3.016 2.231 -10.199 1.00 0.00 C ATOM 916 SD MET A 65 3.327 1.869 -8.480 1.00 0.00 S ATOM 917 CE MET A 65 4.961 2.567 -8.307 1.00 0.00 C ATOM 0 H MET A 65 0.046 3.985 -11.499 1.00 0.00 H new ATOM 0 HA MET A 65 2.158 2.224 -12.554 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.980 2.881 -9.913 1.00 0.00 H new ATOM 0 HB3 MET A 65 1.146 1.156 -10.175 1.00 0.00 H new ATOM 0 HG2 MET A 65 3.566 1.534 -10.831 1.00 0.00 H new ATOM 0 HG3 MET A 65 3.376 3.231 -10.439 1.00 0.00 H new ATOM 0 HE1 MET A 65 5.670 1.777 -8.059 1.00 0.00 H new ATOM 0 HE2 MET A 65 5.256 3.039 -9.244 1.00 0.00 H new ATOM 0 HE3 MET A 65 4.956 3.312 -7.512 1.00 0.00 H new ATOM 927 N LEU A 66 0.717 0.433 -13.375 1.00 0.00 N ATOM 928 CA LEU A 66 -0.114 -0.627 -13.921 1.00 0.00 C ATOM 929 C LEU A 66 -0.449 -1.628 -12.814 1.00 0.00 C ATOM 930 O LEU A 66 0.308 -1.776 -11.856 1.00 0.00 O ATOM 931 CB LEU A 66 0.558 -1.260 -15.141 1.00 0.00 C ATOM 932 CG LEU A 66 1.133 -0.286 -16.171 1.00 0.00 C ATOM 933 CD1 LEU A 66 2.456 -0.804 -16.738 1.00 0.00 C ATOM 934 CD2 LEU A 66 0.114 0.011 -17.274 1.00 0.00 C ATOM 0 H LEU A 66 1.665 0.468 -13.750 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.060 -0.222 -14.282 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.363 -1.907 -14.793 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.170 -1.899 -15.641 1.00 0.00 H new ATOM 0 HG LEU A 66 1.346 0.657 -15.667 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.843 -0.092 -17.468 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.177 -0.922 -15.929 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.292 -1.767 -17.222 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.548 0.706 -17.993 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.154 -0.916 -17.781 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.779 0.455 -16.834 1.00 0.00 H new ATOM 946 N HIS A 67 -1.583 -2.292 -12.983 1.00 0.00 N ATOM 947 CA HIS A 67 -2.027 -3.275 -12.010 1.00 0.00 C ATOM 948 C HIS A 67 -0.923 -4.310 -11.786 1.00 0.00 C ATOM 949 O HIS A 67 -0.895 -4.981 -10.755 1.00 0.00 O ATOM 950 CB HIS A 67 -3.352 -3.906 -12.441 1.00 0.00 C ATOM 951 CG HIS A 67 -3.991 -4.776 -11.385 1.00 0.00 C ATOM 952 ND1 HIS A 67 -5.006 -4.328 -10.558 1.00 0.00 N ATOM 953 CD2 HIS A 67 -3.749 -6.071 -11.030 1.00 0.00 C ATOM 954 CE1 HIS A 67 -5.351 -5.316 -9.746 1.00 0.00 C ATOM 955 NE2 HIS A 67 -4.570 -6.395 -10.040 1.00 0.00 N ATOM 0 H HIS A 67 -2.208 -2.168 -13.780 1.00 0.00 H new ATOM 0 HA HIS A 67 -2.218 -2.786 -11.055 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.048 -3.113 -12.714 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.183 -4.504 -13.336 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -5.419 -3.395 -10.571 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -3.013 -6.722 -11.479 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -6.116 -5.275 -8.985 1.00 0.00 H new ATOM 963 N ALA A 68 -0.039 -4.408 -12.769 1.00 0.00 N ATOM 964 CA ALA A 68 1.064 -5.350 -12.692 1.00 0.00 C ATOM 965 C ALA A 68 2.289 -4.647 -12.104 1.00 0.00 C ATOM 966 O ALA A 68 3.154 -5.291 -11.512 1.00 0.00 O ATOM 967 CB ALA A 68 1.337 -5.931 -14.081 1.00 0.00 C ATOM 0 H ALA A 68 -0.065 -3.850 -13.623 1.00 0.00 H new ATOM 0 HA ALA A 68 0.813 -6.182 -12.034 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.165 -6.638 -14.023 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.446 -6.444 -14.442 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.595 -5.125 -14.768 1.00 0.00 H new ATOM 973 N GLU A 69 2.323 -3.335 -12.286 1.00 0.00 N ATOM 974 CA GLU A 69 3.428 -2.538 -11.780 1.00 0.00 C ATOM 975 C GLU A 69 3.381 -2.475 -10.252 1.00 0.00 C ATOM 976 O GLU A 69 4.327 -2.885 -9.581 1.00 0.00 O ATOM 977 CB GLU A 69 3.414 -1.133 -12.388 1.00 0.00 C ATOM 978 CG GLU A 69 3.880 -1.161 -13.845 1.00 0.00 C ATOM 979 CD GLU A 69 5.336 -0.708 -13.963 1.00 0.00 C ATOM 980 OE1 GLU A 69 5.541 0.520 -14.075 1.00 0.00 O ATOM 981 OE2 GLU A 69 6.212 -1.600 -13.939 1.00 0.00 O ATOM 0 H GLU A 69 1.603 -2.804 -12.777 1.00 0.00 H new ATOM 0 HA GLU A 69 4.361 -3.017 -12.076 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.407 -0.719 -12.332 1.00 0.00 H new ATOM 0 HB3 GLU A 69 4.062 -0.475 -11.808 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.776 -2.170 -14.245 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.244 -0.512 -14.447 1.00 0.00 H new ATOM 988 N ALA A 70 2.270 -1.958 -9.747 1.00 0.00 N ATOM 989 CA ALA A 70 2.088 -1.836 -8.311 1.00 0.00 C ATOM 990 C ALA A 70 2.136 -3.227 -7.675 1.00 0.00 C ATOM 991 O ALA A 70 2.587 -3.379 -6.541 1.00 0.00 O ATOM 992 CB ALA A 70 0.773 -1.109 -8.023 1.00 0.00 C ATOM 0 H ALA A 70 1.488 -1.619 -10.307 1.00 0.00 H new ATOM 0 HA ALA A 70 2.891 -1.244 -7.871 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.636 -1.017 -6.945 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.801 -0.116 -8.471 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.056 -1.675 -8.447 1.00 0.00 H new ATOM 998 N GLN A 71 1.666 -4.206 -8.434 1.00 0.00 N ATOM 999 CA GLN A 71 1.651 -5.579 -7.958 1.00 0.00 C ATOM 1000 C GLN A 71 3.077 -6.126 -7.869 1.00 0.00 C ATOM 1001 O GLN A 71 3.445 -6.750 -6.875 1.00 0.00 O ATOM 1002 CB GLN A 71 0.781 -6.460 -8.857 1.00 0.00 C ATOM 1003 CG GLN A 71 -0.699 -6.327 -8.489 1.00 0.00 C ATOM 1004 CD GLN A 71 -1.004 -7.049 -7.174 1.00 0.00 C ATOM 1005 OE1 GLN A 71 -0.238 -7.015 -6.225 1.00 0.00 O ATOM 1006 NE2 GLN A 71 -2.162 -7.702 -7.172 1.00 0.00 N ATOM 0 H GLN A 71 1.293 -4.076 -9.374 1.00 0.00 H new ATOM 0 HA GLN A 71 1.215 -5.592 -6.959 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.927 -6.178 -9.900 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.091 -7.501 -8.762 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.962 -5.273 -8.399 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.315 -6.742 -9.287 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.756 -7.689 -8.001 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.456 -8.216 -6.341 1.00 0.00 H new ATOM 1015 N SER A 72 3.841 -5.872 -8.921 1.00 0.00 N ATOM 1016 CA SER A 72 5.218 -6.331 -8.974 1.00 0.00 C ATOM 1017 C SER A 72 6.070 -5.546 -7.975 1.00 0.00 C ATOM 1018 O SER A 72 6.876 -6.128 -7.249 1.00 0.00 O ATOM 1019 CB SER A 72 5.792 -6.191 -10.386 1.00 0.00 C ATOM 1020 OG SER A 72 7.145 -6.633 -10.459 1.00 0.00 O ATOM 0 H SER A 72 3.532 -5.354 -9.744 1.00 0.00 H new ATOM 0 HA SER A 72 5.236 -7.388 -8.707 1.00 0.00 H new ATOM 0 HB2 SER A 72 5.184 -6.768 -11.083 1.00 0.00 H new ATOM 0 HB3 SER A 72 5.734 -5.149 -10.699 1.00 0.00 H new ATOM 0 HG SER A 72 7.474 -6.529 -11.376 1.00 0.00 H new ATOM 1026 N LYS A 73 5.864 -4.238 -7.969 1.00 0.00 N ATOM 1027 CA LYS A 73 6.603 -3.367 -7.070 1.00 0.00 C ATOM 1028 C LYS A 73 6.338 -3.791 -5.624 1.00 0.00 C ATOM 1029 O LYS A 73 7.273 -4.036 -4.864 1.00 0.00 O ATOM 1030 CB LYS A 73 6.271 -1.901 -7.352 1.00 0.00 C ATOM 1031 CG LYS A 73 7.368 -1.242 -8.191 1.00 0.00 C ATOM 1032 CD LYS A 73 6.773 -0.524 -9.404 1.00 0.00 C ATOM 1033 CE LYS A 73 7.578 0.731 -9.747 1.00 0.00 C ATOM 1034 NZ LYS A 73 8.498 0.465 -10.876 1.00 0.00 N ATOM 0 H LYS A 73 5.196 -3.759 -8.573 1.00 0.00 H new ATOM 0 HA LYS A 73 7.675 -3.465 -7.240 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.318 -1.835 -7.876 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.155 -1.363 -6.411 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.922 -0.531 -7.578 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.080 -1.998 -8.524 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.761 -1.198 -10.260 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.738 -0.252 -9.198 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.901 1.545 -10.006 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.147 1.055 -8.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.036 1.327 -11.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.156 -0.297 -10.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.949 0.178 -11.711 1.00 0.00 H new ATOM 1048 N ILE A 74 5.058 -3.864 -5.288 1.00 0.00 N ATOM 1049 CA ILE A 74 4.659 -4.254 -3.946 1.00 0.00 C ATOM 1050 C ILE A 74 5.314 -5.590 -3.591 1.00 0.00 C ATOM 1051 O ILE A 74 5.928 -5.723 -2.534 1.00 0.00 O ATOM 1052 CB ILE A 74 3.134 -4.265 -3.823 1.00 0.00 C ATOM 1053 CG1 ILE A 74 2.590 -2.850 -3.612 1.00 0.00 C ATOM 1054 CG2 ILE A 74 2.679 -5.224 -2.722 1.00 0.00 C ATOM 1055 CD1 ILE A 74 1.087 -2.792 -3.891 1.00 0.00 C ATOM 0 H ILE A 74 4.285 -3.660 -5.921 1.00 0.00 H new ATOM 0 HA ILE A 74 5.010 -3.523 -3.217 1.00 0.00 H new ATOM 0 HB ILE A 74 2.719 -4.633 -4.761 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.786 -2.530 -2.588 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.112 -2.154 -4.269 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.591 -5.212 -2.656 1.00 0.00 H new ATOM 0 HG22 ILE A 74 3.018 -6.233 -2.956 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.104 -4.911 -1.768 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.727 -1.775 -3.733 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.897 -3.089 -4.922 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.565 -3.471 -3.216 1.00 0.00 H new ATOM 1067 N ARG A 75 5.161 -6.546 -4.496 1.00 0.00 N ATOM 1068 CA ARG A 75 5.730 -7.868 -4.291 1.00 0.00 C ATOM 1069 C ARG A 75 7.252 -7.777 -4.173 1.00 0.00 C ATOM 1070 O ARG A 75 7.840 -8.327 -3.243 1.00 0.00 O ATOM 1071 CB ARG A 75 5.369 -8.807 -5.444 1.00 0.00 C ATOM 1072 CG ARG A 75 5.182 -10.241 -4.945 1.00 0.00 C ATOM 1073 CD ARG A 75 3.949 -10.886 -5.582 1.00 0.00 C ATOM 1074 NE ARG A 75 3.123 -11.537 -4.540 1.00 0.00 N ATOM 1075 CZ ARG A 75 1.844 -11.898 -4.713 1.00 0.00 C ATOM 1076 NH1 ARG A 75 1.238 -11.675 -5.887 1.00 0.00 N ATOM 1077 NH2 ARG A 75 1.172 -12.483 -3.712 1.00 0.00 N ATOM 0 H ARG A 75 4.652 -6.432 -5.372 1.00 0.00 H new ATOM 0 HA ARG A 75 5.314 -8.270 -3.367 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.453 -8.463 -5.925 1.00 0.00 H new ATOM 0 HB3 ARG A 75 6.155 -8.780 -6.199 1.00 0.00 H new ATOM 0 HG2 ARG A 75 6.068 -10.830 -5.181 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.078 -10.242 -3.860 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.362 -10.130 -6.104 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.256 -11.621 -6.326 1.00 0.00 H new ATOM 0 HE ARG A 75 3.554 -11.722 -3.634 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.750 -11.231 -6.649 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.265 -11.950 -6.019 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.634 -12.653 -2.819 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.199 -12.758 -3.843 1.00 0.00 H new ATOM 1091 N GLN A 76 7.848 -7.079 -5.129 1.00 0.00 N ATOM 1092 CA GLN A 76 9.291 -6.910 -5.144 1.00 0.00 C ATOM 1093 C GLN A 76 9.725 -5.962 -4.025 1.00 0.00 C ATOM 1094 O GLN A 76 10.918 -5.793 -3.778 1.00 0.00 O ATOM 1095 CB GLN A 76 9.770 -6.405 -6.507 1.00 0.00 C ATOM 1096 CG GLN A 76 9.393 -7.387 -7.618 1.00 0.00 C ATOM 1097 CD GLN A 76 10.640 -7.907 -8.336 1.00 0.00 C ATOM 1098 OE1 GLN A 76 11.688 -8.109 -7.747 1.00 0.00 O ATOM 1099 NE2 GLN A 76 10.468 -8.112 -9.639 1.00 0.00 N ATOM 0 H GLN A 76 7.357 -6.624 -5.899 1.00 0.00 H new ATOM 0 HA GLN A 76 9.753 -7.882 -4.971 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.329 -5.430 -6.713 1.00 0.00 H new ATOM 0 HB3 GLN A 76 10.851 -6.268 -6.489 1.00 0.00 H new ATOM 0 HG2 GLN A 76 8.837 -8.224 -7.195 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.735 -6.896 -8.335 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.563 -7.922 -10.070 1.00 0.00 H new ATOM 0 HE22 GLN A 76 11.241 -8.459 -10.207 1.00 0.00 H new ATOM 1108 N SER A 77 8.734 -5.367 -3.378 1.00 0.00 N ATOM 1109 CA SER A 77 8.999 -4.440 -2.290 1.00 0.00 C ATOM 1110 C SER A 77 9.510 -5.202 -1.066 1.00 0.00 C ATOM 1111 O SER A 77 8.830 -6.091 -0.556 1.00 0.00 O ATOM 1112 CB SER A 77 7.745 -3.639 -1.932 1.00 0.00 C ATOM 1113 OG SER A 77 8.026 -2.251 -1.777 1.00 0.00 O ATOM 0 H SER A 77 7.746 -5.509 -3.586 1.00 0.00 H new ATOM 0 HA SER A 77 9.765 -3.737 -2.618 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.995 -3.772 -2.711 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.318 -4.028 -1.008 1.00 0.00 H new ATOM 0 HG SER A 77 8.516 -2.108 -0.941 1.00 0.00 H new ATOM 1119 N ALA A 78 10.703 -4.826 -0.630 1.00 0.00 N ATOM 1120 CA ALA A 78 11.313 -5.463 0.524 1.00 0.00 C ATOM 1121 C ALA A 78 10.582 -5.018 1.792 1.00 0.00 C ATOM 1122 O ALA A 78 9.711 -4.150 1.739 1.00 0.00 O ATOM 1123 CB ALA A 78 12.805 -5.127 0.564 1.00 0.00 C ATOM 0 H ALA A 78 11.264 -4.088 -1.056 1.00 0.00 H new ATOM 0 HA ALA A 78 11.225 -6.547 0.455 1.00 0.00 H new ATOM 0 HB1 ALA A 78 13.263 -5.605 1.430 1.00 0.00 H new ATOM 0 HB2 ALA A 78 13.284 -5.489 -0.346 1.00 0.00 H new ATOM 0 HB3 ALA A 78 12.933 -4.047 0.636 1.00 0.00 H new ATOM 1129 N SER A 79 10.962 -5.632 2.903 1.00 0.00 N ATOM 1130 CA SER A 79 10.354 -5.310 4.183 1.00 0.00 C ATOM 1131 C SER A 79 11.278 -4.392 4.986 1.00 0.00 C ATOM 1132 O SER A 79 12.493 -4.583 4.993 1.00 0.00 O ATOM 1133 CB SER A 79 10.042 -6.578 4.979 1.00 0.00 C ATOM 1134 OG SER A 79 9.577 -6.282 6.293 1.00 0.00 O ATOM 0 H SER A 79 11.684 -6.351 2.943 1.00 0.00 H new ATOM 0 HA SER A 79 9.414 -4.792 3.994 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.288 -7.162 4.451 1.00 0.00 H new ATOM 0 HB3 SER A 79 10.938 -7.196 5.042 1.00 0.00 H new ATOM 0 HG SER A 79 9.539 -7.107 6.820 1.00 0.00 H new ATOM 1140 N PRO A 80 10.651 -3.392 5.660 1.00 0.00 N ATOM 1141 CA PRO A 80 9.207 -3.237 5.597 1.00 0.00 C ATOM 1142 C PRO A 80 8.777 -2.648 4.253 1.00 0.00 C ATOM 1143 O PRO A 80 9.589 -2.059 3.540 1.00 0.00 O ATOM 1144 CB PRO A 80 8.856 -2.345 6.777 1.00 0.00 C ATOM 1145 CG PRO A 80 10.150 -1.657 7.179 1.00 0.00 C ATOM 1146 CD PRO A 80 11.297 -2.384 6.497 1.00 0.00 C ATOM 0 HA PRO A 80 8.678 -4.188 5.662 1.00 0.00 H new ATOM 0 HB2 PRO A 80 8.095 -1.615 6.502 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.452 -2.931 7.603 1.00 0.00 H new ATOM 0 HG2 PRO A 80 10.133 -0.608 6.882 1.00 0.00 H new ATOM 0 HG3 PRO A 80 10.274 -1.680 8.262 1.00 0.00 H new ATOM 0 HD2 PRO A 80 11.900 -1.700 5.899 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.964 -2.843 7.226 1.00 0.00 H new ATOM 1154 N LEU A 81 7.500 -2.827 3.946 1.00 0.00 N ATOM 1155 CA LEU A 81 6.952 -2.321 2.699 1.00 0.00 C ATOM 1156 C LEU A 81 6.073 -1.103 2.991 1.00 0.00 C ATOM 1157 O LEU A 81 5.035 -1.224 3.641 1.00 0.00 O ATOM 1158 CB LEU A 81 6.228 -3.434 1.941 1.00 0.00 C ATOM 1159 CG LEU A 81 5.236 -2.980 0.868 1.00 0.00 C ATOM 1160 CD1 LEU A 81 3.868 -2.673 1.481 1.00 0.00 C ATOM 1161 CD2 LEU A 81 5.789 -1.794 0.076 1.00 0.00 C ATOM 0 H LEU A 81 6.829 -3.315 4.539 1.00 0.00 H new ATOM 0 HA LEU A 81 7.752 -1.987 2.039 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.976 -4.071 1.470 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.694 -4.051 2.664 1.00 0.00 H new ATOM 0 HG LEU A 81 5.096 -3.800 0.163 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.182 -2.353 0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.476 -3.569 1.963 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.971 -1.879 2.220 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.064 -1.492 -0.680 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.977 -0.960 0.753 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.721 -2.084 -0.410 1.00 0.00 H new ATOM 1173 N ARG A 82 6.519 0.042 2.497 1.00 0.00 N ATOM 1174 CA ARG A 82 5.786 1.280 2.696 1.00 0.00 C ATOM 1175 C ARG A 82 4.844 1.536 1.517 1.00 0.00 C ATOM 1176 O ARG A 82 5.176 1.223 0.375 1.00 0.00 O ATOM 1177 CB ARG A 82 6.739 2.467 2.845 1.00 0.00 C ATOM 1178 CG ARG A 82 6.655 3.065 4.251 1.00 0.00 C ATOM 1179 CD ARG A 82 7.874 3.941 4.548 1.00 0.00 C ATOM 1180 NE ARG A 82 8.155 3.942 6.001 1.00 0.00 N ATOM 1181 CZ ARG A 82 9.330 4.299 6.539 1.00 0.00 C ATOM 1182 NH1 ARG A 82 10.339 4.687 5.747 1.00 0.00 N ATOM 1183 NH2 ARG A 82 9.495 4.268 7.868 1.00 0.00 N ATOM 0 H ARG A 82 7.380 0.138 1.959 1.00 0.00 H new ATOM 0 HA ARG A 82 5.206 1.177 3.613 1.00 0.00 H new ATOM 0 HB2 ARG A 82 7.761 2.145 2.643 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.494 3.230 2.106 1.00 0.00 H new ATOM 0 HG2 ARG A 82 5.745 3.658 4.344 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.590 2.264 4.987 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.741 3.569 4.002 1.00 0.00 H new ATOM 0 HD3 ARG A 82 7.693 4.959 4.204 1.00 0.00 H new ATOM 0 HE ARG A 82 7.408 3.653 6.633 1.00 0.00 H new ATOM 0 HH11 ARG A 82 10.213 4.711 4.735 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.233 4.959 6.156 1.00 0.00 H new ATOM 0 HH21 ARG A 82 8.727 3.973 8.471 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.389 4.540 8.277 1.00 0.00 H new ATOM 1197 N LEU A 83 3.689 2.102 1.835 1.00 0.00 N ATOM 1198 CA LEU A 83 2.698 2.403 0.817 1.00 0.00 C ATOM 1199 C LEU A 83 2.015 3.730 1.153 1.00 0.00 C ATOM 1200 O LEU A 83 1.365 3.853 2.190 1.00 0.00 O ATOM 1201 CB LEU A 83 1.725 1.234 0.654 1.00 0.00 C ATOM 1202 CG LEU A 83 2.294 -0.028 0.002 1.00 0.00 C ATOM 1203 CD1 LEU A 83 1.299 -1.186 0.087 1.00 0.00 C ATOM 1204 CD2 LEU A 83 2.730 0.249 -1.438 1.00 0.00 C ATOM 0 H LEU A 83 3.418 2.360 2.784 1.00 0.00 H new ATOM 0 HA LEU A 83 3.176 2.527 -0.155 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.340 0.968 1.638 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.876 1.574 0.061 1.00 0.00 H new ATOM 0 HG LEU A 83 3.183 -0.328 0.556 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.729 -2.070 -0.384 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.080 -1.402 1.133 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.378 -0.913 -0.427 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.131 -0.664 -1.879 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.872 0.586 -2.019 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.498 1.022 -1.443 1.00 0.00 H new ATOM 1216 N GLN A 84 2.184 4.690 0.256 1.00 0.00 N ATOM 1217 CA GLN A 84 1.592 6.003 0.444 1.00 0.00 C ATOM 1218 C GLN A 84 0.152 6.015 -0.073 1.00 0.00 C ATOM 1219 O GLN A 84 -0.083 5.861 -1.270 1.00 0.00 O ATOM 1220 CB GLN A 84 2.429 7.086 -0.241 1.00 0.00 C ATOM 1221 CG GLN A 84 2.018 8.480 0.236 1.00 0.00 C ATOM 1222 CD GLN A 84 2.283 9.529 -0.846 1.00 0.00 C ATOM 1223 OE1 GLN A 84 3.378 9.656 -1.369 1.00 0.00 O ATOM 1224 NE2 GLN A 84 1.223 10.272 -1.151 1.00 0.00 N ATOM 0 H GLN A 84 2.723 4.584 -0.604 1.00 0.00 H new ATOM 0 HA GLN A 84 1.577 6.223 1.511 1.00 0.00 H new ATOM 0 HB2 GLN A 84 3.486 6.922 -0.029 1.00 0.00 H new ATOM 0 HB3 GLN A 84 2.306 7.017 -1.322 1.00 0.00 H new ATOM 0 HG2 GLN A 84 0.960 8.482 0.498 1.00 0.00 H new ATOM 0 HG3 GLN A 84 2.570 8.737 1.140 1.00 0.00 H new ATOM 0 HE21 GLN A 84 0.335 10.113 -0.675 1.00 0.00 H new ATOM 0 HE22 GLN A 84 1.298 11.000 -1.861 1.00 0.00 H new ATOM 1233 N LEU A 85 -0.775 6.200 0.856 1.00 0.00 N ATOM 1234 CA LEU A 85 -2.185 6.234 0.509 1.00 0.00 C ATOM 1235 C LEU A 85 -2.669 7.685 0.500 1.00 0.00 C ATOM 1236 O LEU A 85 -2.123 8.530 1.207 1.00 0.00 O ATOM 1237 CB LEU A 85 -2.988 5.324 1.441 1.00 0.00 C ATOM 1238 CG LEU A 85 -2.324 3.999 1.821 1.00 0.00 C ATOM 1239 CD1 LEU A 85 -3.162 3.242 2.854 1.00 0.00 C ATOM 1240 CD2 LEU A 85 -2.042 3.151 0.580 1.00 0.00 C ATOM 0 H LEU A 85 -0.577 6.328 1.848 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.340 5.840 -0.495 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.204 5.875 2.356 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.945 5.105 0.967 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.363 4.220 2.285 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.668 2.304 3.107 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.268 3.850 3.753 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.148 3.032 2.439 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.570 2.215 0.879 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.979 2.937 0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.376 3.696 -0.089 1.00 0.00 H new ATOM 1252 N ASP A 86 -3.689 7.930 -0.310 1.00 0.00 N ATOM 1253 CA ASP A 86 -4.252 9.265 -0.421 1.00 0.00 C ATOM 1254 C ASP A 86 -5.591 9.312 0.319 1.00 0.00 C ATOM 1255 O ASP A 86 -6.608 8.855 -0.202 1.00 0.00 O ATOM 1256 CB ASP A 86 -4.507 9.636 -1.883 1.00 0.00 C ATOM 1257 CG ASP A 86 -4.038 11.035 -2.286 1.00 0.00 C ATOM 1258 OD1 ASP A 86 -2.804 11.232 -2.322 1.00 0.00 O ATOM 1259 OD2 ASP A 86 -4.924 11.877 -2.549 1.00 0.00 O ATOM 0 H ASP A 86 -4.140 7.227 -0.895 1.00 0.00 H new ATOM 0 HA ASP A 86 -3.539 9.968 0.010 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -4.009 8.905 -2.520 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.576 9.556 -2.081 1.00 0.00 H new ATOM 1264 N ARG A 87 -5.548 9.868 1.521 1.00 0.00 N ATOM 1265 CA ARG A 87 -6.745 9.980 2.337 1.00 0.00 C ATOM 1266 C ARG A 87 -7.179 11.443 2.443 1.00 0.00 C ATOM 1267 O ARG A 87 -6.619 12.206 3.229 1.00 0.00 O ATOM 1268 CB ARG A 87 -6.508 9.422 3.741 1.00 0.00 C ATOM 1269 CG ARG A 87 -7.823 8.978 4.384 1.00 0.00 C ATOM 1270 CD ARG A 87 -7.674 7.607 5.047 1.00 0.00 C ATOM 1271 NE ARG A 87 -8.245 6.558 4.173 1.00 0.00 N ATOM 1272 CZ ARG A 87 -8.524 5.312 4.579 1.00 0.00 C ATOM 1273 NH1 ARG A 87 -8.286 4.952 5.848 1.00 0.00 N ATOM 1274 NH2 ARG A 87 -9.041 4.426 3.717 1.00 0.00 N ATOM 0 H ARG A 87 -4.703 10.246 1.949 1.00 0.00 H new ATOM 0 HA ARG A 87 -7.531 9.398 1.856 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.821 8.577 3.689 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.033 10.181 4.363 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -8.135 9.713 5.126 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.606 8.937 3.627 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.621 7.399 5.239 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.181 7.603 6.012 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.438 6.799 3.201 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.893 5.627 6.504 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.498 4.004 6.157 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -9.222 4.700 2.751 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -9.253 3.478 4.026 1.00 0.00 H new ATOM 1288 N SER A 88 -8.174 11.792 1.640 1.00 0.00 N ATOM 1289 CA SER A 88 -8.690 13.150 1.634 1.00 0.00 C ATOM 1290 C SER A 88 -10.216 13.131 1.752 1.00 0.00 C ATOM 1291 O SER A 88 -10.906 12.670 0.844 1.00 0.00 O ATOM 1292 CB SER A 88 -8.265 13.895 0.367 1.00 0.00 C ATOM 1293 OG SER A 88 -8.697 15.253 0.376 1.00 0.00 O ATOM 0 H SER A 88 -8.636 11.157 0.989 1.00 0.00 H new ATOM 0 HA SER A 88 -8.272 13.678 2.491 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.180 13.860 0.273 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.677 13.389 -0.506 1.00 0.00 H new ATOM 0 HG SER A 88 -8.405 15.695 -0.449 1.00 0.00 H new ATOM 1299 N SER A 89 -10.697 13.637 2.878 1.00 0.00 N ATOM 1300 CA SER A 89 -12.128 13.683 3.127 1.00 0.00 C ATOM 1301 C SER A 89 -12.580 15.134 3.308 1.00 0.00 C ATOM 1302 O SER A 89 -11.760 16.018 3.546 1.00 0.00 O ATOM 1303 CB SER A 89 -12.500 12.853 4.357 1.00 0.00 C ATOM 1304 OG SER A 89 -12.009 11.519 4.269 1.00 0.00 O ATOM 0 H SER A 89 -10.121 14.019 3.628 1.00 0.00 H new ATOM 0 HA SER A 89 -12.640 13.254 2.266 1.00 0.00 H new ATOM 0 HB2 SER A 89 -12.097 13.329 5.251 1.00 0.00 H new ATOM 0 HB3 SER A 89 -13.584 12.834 4.467 1.00 0.00 H new ATOM 0 HG SER A 89 -12.266 11.022 5.074 1.00 0.00 H new ATOM 1310 N GLY A 90 -13.885 15.332 3.188 1.00 0.00 N ATOM 1311 CA GLY A 90 -14.456 16.660 3.335 1.00 0.00 C ATOM 1312 C GLY A 90 -15.310 16.752 4.602 1.00 0.00 C ATOM 1313 O GLY A 90 -15.794 15.738 5.103 1.00 0.00 O ATOM 0 H GLY A 90 -14.562 14.595 2.991 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -13.657 17.401 3.376 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -15.066 16.896 2.463 1.00 0.00 H new ATOM 1317 N PRO A 91 -15.473 18.009 5.095 1.00 0.00 N ATOM 1318 CA PRO A 91 -16.260 18.246 6.293 1.00 0.00 C ATOM 1319 C PRO A 91 -17.757 18.130 5.998 1.00 0.00 C ATOM 1320 O PRO A 91 -18.299 18.905 5.211 1.00 0.00 O ATOM 1321 CB PRO A 91 -15.852 19.633 6.763 1.00 0.00 C ATOM 1322 CG PRO A 91 -15.205 20.306 5.563 1.00 0.00 C ATOM 1323 CD PRO A 91 -14.915 19.232 4.527 1.00 0.00 C ATOM 0 HA PRO A 91 -16.075 17.506 7.071 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -16.717 20.199 7.108 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -15.156 19.573 7.600 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -15.867 21.067 5.149 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -14.285 20.810 5.858 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -15.377 19.471 3.569 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -13.844 19.133 4.348 1.00 0.00 H new ATOM 1331 N SER A 92 -18.381 17.158 6.645 1.00 0.00 N ATOM 1332 CA SER A 92 -19.805 16.931 6.462 1.00 0.00 C ATOM 1333 C SER A 92 -20.155 16.977 4.973 1.00 0.00 C ATOM 1334 O SER A 92 -20.402 18.049 4.423 1.00 0.00 O ATOM 1335 CB SER A 92 -20.631 17.962 7.233 1.00 0.00 C ATOM 1336 OG SER A 92 -20.879 17.551 8.575 1.00 0.00 O ATOM 0 H SER A 92 -17.927 16.518 7.297 1.00 0.00 H new ATOM 0 HA SER A 92 -20.047 15.944 6.856 1.00 0.00 H new ATOM 0 HB2 SER A 92 -20.106 18.917 7.237 1.00 0.00 H new ATOM 0 HB3 SER A 92 -21.580 18.122 6.721 1.00 0.00 H new ATOM 0 HG SER A 92 -21.408 18.236 9.035 1.00 0.00 H new ATOM 1342 N SER A 93 -20.164 15.801 4.363 1.00 0.00 N ATOM 1343 CA SER A 93 -20.479 15.693 2.949 1.00 0.00 C ATOM 1344 C SER A 93 -21.986 15.505 2.762 1.00 0.00 C ATOM 1345 O SER A 93 -22.660 14.959 3.634 1.00 0.00 O ATOM 1346 CB SER A 93 -19.715 14.538 2.300 1.00 0.00 C ATOM 1347 OG SER A 93 -20.231 13.269 2.693 1.00 0.00 O ATOM 0 H SER A 93 -19.958 14.914 4.823 1.00 0.00 H new ATOM 0 HA SER A 93 -20.171 16.616 2.459 1.00 0.00 H new ATOM 0 HB2 SER A 93 -19.769 14.631 1.215 1.00 0.00 H new ATOM 0 HB3 SER A 93 -18.662 14.601 2.573 1.00 0.00 H new ATOM 0 HG SER A 93 -19.718 12.558 2.256 1.00 0.00 H new ATOM 1353 N GLY A 94 -22.470 15.967 1.618 1.00 0.00 N ATOM 1354 CA GLY A 94 -23.885 15.856 1.305 1.00 0.00 C ATOM 1355 C GLY A 94 -24.685 16.973 1.979 1.00 0.00 C ATOM 1356 O GLY A 94 -24.358 18.150 1.833 1.00 0.00 O ATOM 0 H GLY A 94 -21.908 16.419 0.897 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -24.027 15.903 0.225 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -24.259 14.886 1.634 1.00 0.00 H new TER 1360 GLY A 94