USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 750 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 32 SER OG : rot -68:sc= 1.64 USER MOD Set 1.2: A 80 SER OG : rot -157:sc= 0.169 USER MOD Set 1.3: A 87 SER OG : rot 177:sc= 0.213 USER MOD Set 2.1: A 36 THR OG1 : rot 180:sc= -0.0182 USER MOD Set 2.2: A 37 HIS : no HD1:sc= -4.59! C(o=-4.6!,f=-5.1!) USER MOD Set 3.1: A 3 SER OG : rot 28:sc= 0.284 USER MOD Set 3.2: A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 177:sc= 0.243 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -160:sc= -0.166 USER MOD Single : A 26 HIS : no HE2:sc= -0.214 K(o=-0.21,f=-1.1) USER MOD Single : A 28 THR OG1 : rot 38:sc= 0.0698 USER MOD Single : A 30 GLN : amide:sc= -0.373 K(o=-0.37,f=-2.8!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0.0252 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc=-0.00148 (180deg=-0.00148) USER MOD Single : A 57 GLN : amide:sc= -0.0137 K(o=-0.014,f=-1.6!) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= -0.432 USER MOD Single : A 79 GLN : amide:sc= -3.37! C(o=-3.4!,f=-4.8!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0104 USER MOD Single : A 98 THR OG1 : rot 44:sc= 0.642 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 35:sc= 0.534! USER MOD Single : A 103 SER OG : rot 66:sc= 0.401 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.347 -19.562 -4.173 1.00 0.00 N ATOM 2 CA GLY A 1 -14.213 -20.337 -4.642 1.00 0.00 C ATOM 3 C GLY A 1 -13.234 -20.664 -3.532 1.00 0.00 C ATOM 4 O GLY A 1 -12.794 -19.777 -2.802 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.986 -19.365 -4.970 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.858 -20.100 -3.444 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.011 -18.665 -3.769 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.571 -21.264 -5.091 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.697 -19.782 -5.425 1.00 0.00 H new ATOM 8 N SER A 2 -12.894 -21.943 -3.403 1.00 0.00 N ATOM 9 CA SER A 2 -11.966 -22.387 -2.370 1.00 0.00 C ATOM 10 C SER A 2 -10.882 -23.282 -2.962 1.00 0.00 C ATOM 11 O SER A 2 -11.154 -24.401 -3.395 1.00 0.00 O ATOM 12 CB SER A 2 -12.717 -23.136 -1.268 1.00 0.00 C ATOM 13 OG SER A 2 -13.346 -22.234 -0.375 1.00 0.00 O ATOM 0 H SER A 2 -13.248 -22.690 -4.001 1.00 0.00 H new ATOM 0 HA SER A 2 -11.490 -21.506 -1.940 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.465 -23.791 -1.714 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.023 -23.772 -0.718 1.00 0.00 H new ATOM 0 HG SER A 2 -13.820 -22.738 0.319 1.00 0.00 H new ATOM 19 N SER A 3 -9.651 -22.779 -2.977 1.00 0.00 N ATOM 20 CA SER A 3 -8.525 -23.531 -3.519 1.00 0.00 C ATOM 21 C SER A 3 -7.201 -22.872 -3.144 1.00 0.00 C ATOM 22 O SER A 3 -6.998 -21.682 -3.383 1.00 0.00 O ATOM 23 CB SER A 3 -8.642 -23.638 -5.041 1.00 0.00 C ATOM 24 OG SER A 3 -8.576 -22.360 -5.649 1.00 0.00 O ATOM 0 H SER A 3 -9.409 -21.855 -2.620 1.00 0.00 H new ATOM 0 HA SER A 3 -8.547 -24.532 -3.089 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.842 -24.269 -5.427 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.583 -24.121 -5.303 1.00 0.00 H new ATOM 0 HG SER A 3 -8.056 -21.754 -5.081 1.00 0.00 H new ATOM 30 N GLY A 4 -6.303 -23.655 -2.555 1.00 0.00 N ATOM 31 CA GLY A 4 -5.010 -23.131 -2.156 1.00 0.00 C ATOM 32 C GLY A 4 -4.047 -23.014 -3.321 1.00 0.00 C ATOM 33 O GLY A 4 -3.102 -23.795 -3.435 1.00 0.00 O ATOM 0 H GLY A 4 -6.448 -24.643 -2.347 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.144 -22.150 -1.700 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.577 -23.780 -1.395 1.00 0.00 H new ATOM 37 N SER A 5 -4.287 -22.038 -4.190 1.00 0.00 N ATOM 38 CA SER A 5 -3.437 -21.825 -5.355 1.00 0.00 C ATOM 39 C SER A 5 -2.086 -21.248 -4.944 1.00 0.00 C ATOM 40 O SER A 5 -1.037 -21.806 -5.265 1.00 0.00 O ATOM 41 CB SER A 5 -4.124 -20.886 -6.349 1.00 0.00 C ATOM 42 OG SER A 5 -5.314 -21.464 -6.858 1.00 0.00 O ATOM 0 H SER A 5 -5.064 -21.382 -4.109 1.00 0.00 H new ATOM 0 HA SER A 5 -3.270 -22.790 -5.833 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.356 -19.940 -5.860 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.445 -20.661 -7.171 1.00 0.00 H new ATOM 0 HG SER A 5 -5.735 -20.844 -7.489 1.00 0.00 H new ATOM 48 N SER A 6 -2.120 -20.127 -4.231 1.00 0.00 N ATOM 49 CA SER A 6 -0.899 -19.471 -3.778 1.00 0.00 C ATOM 50 C SER A 6 0.101 -20.493 -3.246 1.00 0.00 C ATOM 51 O SER A 6 -0.281 -21.499 -2.649 1.00 0.00 O ATOM 52 CB SER A 6 -1.220 -18.441 -2.693 1.00 0.00 C ATOM 53 OG SER A 6 -2.122 -17.459 -3.173 1.00 0.00 O ATOM 0 H SER A 6 -2.980 -19.654 -3.954 1.00 0.00 H new ATOM 0 HA SER A 6 -0.452 -18.961 -4.631 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.651 -18.943 -1.827 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.300 -17.962 -2.358 1.00 0.00 H new ATOM 0 HG SER A 6 -2.356 -16.846 -2.445 1.00 0.00 H new ATOM 59 N GLY A 7 1.384 -20.226 -3.467 1.00 0.00 N ATOM 60 CA GLY A 7 2.421 -21.131 -3.004 1.00 0.00 C ATOM 61 C GLY A 7 3.239 -20.544 -1.871 1.00 0.00 C ATOM 62 O GLY A 7 2.794 -19.645 -1.156 1.00 0.00 O ATOM 0 H GLY A 7 1.725 -19.399 -3.958 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.964 -22.063 -2.673 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.082 -21.377 -3.835 1.00 0.00 H new ATOM 66 N PRO A 8 4.465 -21.058 -1.694 1.00 0.00 N ATOM 67 CA PRO A 8 5.373 -20.594 -0.640 1.00 0.00 C ATOM 68 C PRO A 8 5.894 -19.186 -0.902 1.00 0.00 C ATOM 69 O PRO A 8 6.855 -18.997 -1.649 1.00 0.00 O ATOM 70 CB PRO A 8 6.520 -21.607 -0.689 1.00 0.00 C ATOM 71 CG PRO A 8 6.503 -22.131 -2.083 1.00 0.00 C ATOM 72 CD PRO A 8 5.060 -22.130 -2.508 1.00 0.00 C ATOM 0 HA PRO A 8 4.877 -20.537 0.329 1.00 0.00 H new ATOM 0 HB2 PRO A 8 7.475 -21.136 -0.455 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.373 -22.407 0.037 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.105 -21.505 -2.742 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.922 -23.136 -2.127 1.00 0.00 H new ATOM 0 HD2 PRO A 8 4.955 -21.930 -3.574 1.00 0.00 H new ATOM 0 HD3 PRO A 8 4.584 -23.092 -2.316 1.00 0.00 H new ATOM 80 N LEU A 9 5.256 -18.199 -0.284 1.00 0.00 N ATOM 81 CA LEU A 9 5.656 -16.806 -0.450 1.00 0.00 C ATOM 82 C LEU A 9 5.179 -15.958 0.726 1.00 0.00 C ATOM 83 O LEU A 9 4.000 -15.628 0.847 1.00 0.00 O ATOM 84 CB LEU A 9 5.094 -16.246 -1.758 1.00 0.00 C ATOM 85 CG LEU A 9 5.915 -15.141 -2.423 1.00 0.00 C ATOM 86 CD1 LEU A 9 7.311 -15.642 -2.759 1.00 0.00 C ATOM 87 CD2 LEU A 9 5.213 -14.633 -3.674 1.00 0.00 C ATOM 0 H LEU A 9 4.459 -18.337 0.337 1.00 0.00 H new ATOM 0 HA LEU A 9 6.745 -16.768 -0.483 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.988 -17.068 -2.466 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.093 -15.861 -1.564 1.00 0.00 H new ATOM 0 HG LEU A 9 6.008 -14.312 -1.721 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.881 -14.842 -3.232 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.815 -15.955 -1.845 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.239 -16.489 -3.442 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.812 -13.847 -4.134 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.088 -15.454 -4.380 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.235 -14.234 -3.406 1.00 0.00 H new ATOM 99 N PRO A 10 6.118 -15.595 1.612 1.00 0.00 N ATOM 100 CA PRO A 10 5.819 -14.779 2.792 1.00 0.00 C ATOM 101 C PRO A 10 5.466 -13.340 2.428 1.00 0.00 C ATOM 102 O PRO A 10 6.312 -12.560 1.992 1.00 0.00 O ATOM 103 CB PRO A 10 7.122 -14.823 3.594 1.00 0.00 C ATOM 104 CG PRO A 10 8.181 -15.085 2.581 1.00 0.00 C ATOM 105 CD PRO A 10 7.544 -15.952 1.530 1.00 0.00 C ATOM 0 HA PRO A 10 4.954 -15.155 3.338 1.00 0.00 H new ATOM 0 HB2 PRO A 10 7.298 -13.882 4.116 1.00 0.00 H new ATOM 0 HB3 PRO A 10 7.095 -15.607 4.351 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.547 -14.153 2.149 1.00 0.00 H new ATOM 0 HG3 PRO A 10 9.038 -15.585 3.033 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.953 -15.749 0.540 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.705 -17.011 1.731 1.00 0.00 H new ATOM 113 N PRO A 11 4.187 -12.979 2.611 1.00 0.00 N ATOM 114 CA PRO A 11 3.694 -11.632 2.309 1.00 0.00 C ATOM 115 C PRO A 11 4.231 -10.587 3.281 1.00 0.00 C ATOM 116 O PRO A 11 4.785 -10.908 4.332 1.00 0.00 O ATOM 117 CB PRO A 11 2.177 -11.769 2.455 1.00 0.00 C ATOM 118 CG PRO A 11 1.988 -12.910 3.394 1.00 0.00 C ATOM 119 CD PRO A 11 3.125 -13.858 3.128 1.00 0.00 C ATOM 0 HA PRO A 11 4.012 -11.293 1.323 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.733 -10.855 2.849 1.00 0.00 H new ATOM 0 HB3 PRO A 11 1.703 -11.965 1.493 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.998 -12.569 4.429 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.027 -13.397 3.228 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.438 -14.375 4.035 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.849 -14.624 2.403 1.00 0.00 H new ATOM 127 N PRO A 12 4.065 -9.305 2.923 1.00 0.00 N ATOM 128 CA PRO A 12 4.525 -8.186 3.751 1.00 0.00 C ATOM 129 C PRO A 12 3.709 -8.037 5.031 1.00 0.00 C ATOM 130 O PRO A 12 2.496 -7.829 4.984 1.00 0.00 O ATOM 131 CB PRO A 12 4.325 -6.968 2.845 1.00 0.00 C ATOM 132 CG PRO A 12 3.243 -7.371 1.903 1.00 0.00 C ATOM 133 CD PRO A 12 3.414 -8.849 1.684 1.00 0.00 C ATOM 0 HA PRO A 12 5.554 -8.322 4.084 1.00 0.00 H new ATOM 0 HB2 PRO A 12 4.040 -6.088 3.422 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.242 -6.717 2.311 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.260 -7.149 2.319 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.321 -6.826 0.963 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.456 -9.345 1.527 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.028 -9.057 0.808 1.00 0.00 H new ATOM 141 N ARG A 13 4.381 -8.145 6.172 1.00 0.00 N ATOM 142 CA ARG A 13 3.718 -8.023 7.464 1.00 0.00 C ATOM 143 C ARG A 13 4.141 -6.740 8.174 1.00 0.00 C ATOM 144 O ARG A 13 3.369 -6.156 8.933 1.00 0.00 O ATOM 145 CB ARG A 13 4.038 -9.234 8.342 1.00 0.00 C ATOM 146 CG ARG A 13 3.900 -8.960 9.831 1.00 0.00 C ATOM 147 CD ARG A 13 4.439 -10.115 10.662 1.00 0.00 C ATOM 148 NE ARG A 13 5.854 -9.947 10.979 1.00 0.00 N ATOM 149 CZ ARG A 13 6.514 -10.727 11.827 1.00 0.00 C ATOM 150 NH1 ARG A 13 5.890 -11.723 12.440 1.00 0.00 N ATOM 151 NH2 ARG A 13 7.802 -10.512 12.064 1.00 0.00 N ATOM 0 H ARG A 13 5.385 -8.317 6.228 1.00 0.00 H new ATOM 0 HA ARG A 13 2.643 -7.983 7.290 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.375 -10.055 8.069 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.056 -9.564 8.135 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.437 -8.046 10.085 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.851 -8.793 10.076 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.867 -10.194 11.587 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.298 -11.049 10.119 1.00 0.00 H new ATOM 0 HE ARG A 13 6.363 -9.189 10.524 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.900 -11.892 12.261 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.400 -12.320 13.091 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.286 -9.747 11.595 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.308 -11.112 12.716 1.00 0.00 H new ATOM 165 N ALA A 14 5.372 -6.309 7.921 1.00 0.00 N ATOM 166 CA ALA A 14 5.897 -5.095 8.534 1.00 0.00 C ATOM 167 C ALA A 14 5.335 -3.850 7.857 1.00 0.00 C ATOM 168 O ALA A 14 6.085 -2.999 7.377 1.00 0.00 O ATOM 169 CB ALA A 14 7.418 -5.089 8.475 1.00 0.00 C ATOM 0 H ALA A 14 6.024 -6.782 7.296 1.00 0.00 H new ATOM 0 HA ALA A 14 5.584 -5.081 9.578 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.796 -4.177 8.936 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.806 -5.955 9.011 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.742 -5.131 7.435 1.00 0.00 H new ATOM 175 N LEU A 15 4.011 -3.749 7.820 1.00 0.00 N ATOM 176 CA LEU A 15 3.347 -2.608 7.200 1.00 0.00 C ATOM 177 C LEU A 15 3.199 -1.459 8.193 1.00 0.00 C ATOM 178 O LEU A 15 2.532 -1.593 9.219 1.00 0.00 O ATOM 179 CB LEU A 15 1.973 -3.018 6.669 1.00 0.00 C ATOM 180 CG LEU A 15 1.962 -3.741 5.322 1.00 0.00 C ATOM 181 CD1 LEU A 15 2.243 -5.224 5.510 1.00 0.00 C ATOM 182 CD2 LEU A 15 0.630 -3.534 4.616 1.00 0.00 C ATOM 0 H LEU A 15 3.376 -4.444 8.212 1.00 0.00 H new ATOM 0 HA LEU A 15 3.964 -2.268 6.368 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.498 -3.662 7.408 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.357 -2.123 6.583 1.00 0.00 H new ATOM 0 HG LEU A 15 2.750 -3.319 4.698 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.231 -5.722 4.541 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.222 -5.353 5.972 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.478 -5.661 6.152 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.640 -4.056 3.659 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.175 -3.929 5.236 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.469 -2.469 4.447 1.00 0.00 H new ATOM 194 N THR A 16 3.824 -0.328 7.879 1.00 0.00 N ATOM 195 CA THR A 16 3.762 0.844 8.742 1.00 0.00 C ATOM 196 C THR A 16 3.734 2.129 7.923 1.00 0.00 C ATOM 197 O THR A 16 4.437 2.253 6.919 1.00 0.00 O ATOM 198 CB THR A 16 4.958 0.893 9.712 1.00 0.00 C ATOM 199 OG1 THR A 16 4.992 -0.297 10.507 1.00 0.00 O ATOM 200 CG2 THR A 16 4.871 2.112 10.617 1.00 0.00 C ATOM 0 H THR A 16 4.379 -0.200 7.033 1.00 0.00 H new ATOM 0 HA THR A 16 2.840 0.763 9.318 1.00 0.00 H new ATOM 0 HB THR A 16 5.873 0.962 9.124 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.756 -0.259 11.120 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.726 2.125 11.293 1.00 0.00 H new ATOM 0 HG22 THR A 16 4.875 3.017 10.010 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.950 2.069 11.198 1.00 0.00 H new ATOM 208 N LEU A 17 2.919 3.084 8.356 1.00 0.00 N ATOM 209 CA LEU A 17 2.800 4.362 7.662 1.00 0.00 C ATOM 210 C LEU A 17 4.133 5.103 7.654 1.00 0.00 C ATOM 211 O LEU A 17 4.587 5.596 8.686 1.00 0.00 O ATOM 212 CB LEU A 17 1.727 5.227 8.325 1.00 0.00 C ATOM 213 CG LEU A 17 1.075 6.287 7.436 1.00 0.00 C ATOM 214 CD1 LEU A 17 2.113 6.946 6.542 1.00 0.00 C ATOM 215 CD2 LEU A 17 -0.038 5.670 6.601 1.00 0.00 C ATOM 0 H LEU A 17 2.330 2.998 9.185 1.00 0.00 H new ATOM 0 HA LEU A 17 2.510 4.162 6.631 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.945 4.571 8.707 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.172 5.727 9.185 1.00 0.00 H new ATOM 0 HG LEU A 17 0.639 7.054 8.076 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.630 7.697 5.917 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.875 7.422 7.159 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.579 6.192 5.908 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.491 6.438 5.974 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.374 4.883 5.969 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.795 5.246 7.260 1.00 0.00 H new ATOM 227 N ALA A 18 4.754 5.180 6.481 1.00 0.00 N ATOM 228 CA ALA A 18 6.033 5.864 6.337 1.00 0.00 C ATOM 229 C ALA A 18 5.874 7.369 6.522 1.00 0.00 C ATOM 230 O ALA A 18 6.695 8.014 7.174 1.00 0.00 O ATOM 231 CB ALA A 18 6.645 5.559 4.978 1.00 0.00 C ATOM 0 H ALA A 18 4.392 4.777 5.617 1.00 0.00 H new ATOM 0 HA ALA A 18 6.703 5.497 7.115 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.600 6.076 4.885 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.804 4.485 4.883 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.971 5.897 4.191 1.00 0.00 H new ATOM 237 N ALA A 19 4.813 7.923 5.944 1.00 0.00 N ATOM 238 CA ALA A 19 4.546 9.352 6.046 1.00 0.00 C ATOM 239 C ALA A 19 3.100 9.668 5.680 1.00 0.00 C ATOM 240 O ALA A 19 2.635 9.326 4.592 1.00 0.00 O ATOM 241 CB ALA A 19 5.501 10.133 5.155 1.00 0.00 C ATOM 0 H ALA A 19 4.124 7.403 5.400 1.00 0.00 H new ATOM 0 HA ALA A 19 4.705 9.653 7.082 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.290 11.199 5.241 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.528 9.940 5.465 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.370 9.820 4.119 1.00 0.00 H new ATOM 247 N VAL A 20 2.392 10.323 6.595 1.00 0.00 N ATOM 248 CA VAL A 20 0.999 10.686 6.368 1.00 0.00 C ATOM 249 C VAL A 20 0.880 12.111 5.840 1.00 0.00 C ATOM 250 O VAL A 20 1.098 13.077 6.572 1.00 0.00 O ATOM 251 CB VAL A 20 0.168 10.558 7.659 1.00 0.00 C ATOM 252 CG1 VAL A 20 0.709 11.485 8.736 1.00 0.00 C ATOM 253 CG2 VAL A 20 -1.298 10.851 7.379 1.00 0.00 C ATOM 0 H VAL A 20 2.761 10.613 7.501 1.00 0.00 H new ATOM 0 HA VAL A 20 0.609 9.992 5.623 1.00 0.00 H new ATOM 0 HB VAL A 20 0.247 9.533 8.022 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.110 11.381 9.640 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.744 11.223 8.955 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.661 12.516 8.386 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.871 10.756 8.302 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.399 11.865 6.992 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.676 10.142 6.643 1.00 0.00 H new ATOM 263 N THR A 21 0.533 12.236 4.562 1.00 0.00 N ATOM 264 CA THR A 21 0.387 13.543 3.935 1.00 0.00 C ATOM 265 C THR A 21 -1.018 13.729 3.373 1.00 0.00 C ATOM 266 O THR A 21 -1.585 12.834 2.745 1.00 0.00 O ATOM 267 CB THR A 21 1.411 13.741 2.801 1.00 0.00 C ATOM 268 OG1 THR A 21 2.668 13.165 3.172 1.00 0.00 O ATOM 269 CG2 THR A 21 1.596 15.218 2.490 1.00 0.00 C ATOM 0 H THR A 21 0.348 11.448 3.942 1.00 0.00 H new ATOM 0 HA THR A 21 0.567 14.287 4.711 1.00 0.00 H new ATOM 0 HB THR A 21 1.033 13.244 1.908 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.314 13.293 2.446 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.323 15.332 1.686 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.643 15.647 2.180 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.954 15.735 3.380 1.00 0.00 H new ATOM 277 N PRO A 22 -1.596 14.918 3.602 1.00 0.00 N ATOM 278 CA PRO A 22 -2.942 15.248 3.125 1.00 0.00 C ATOM 279 C PRO A 22 -2.999 15.403 1.609 1.00 0.00 C ATOM 280 O PRO A 22 -4.051 15.702 1.045 1.00 0.00 O ATOM 281 CB PRO A 22 -3.243 16.584 3.811 1.00 0.00 C ATOM 282 CG PRO A 22 -1.905 17.184 4.074 1.00 0.00 C ATOM 283 CD PRO A 22 -0.979 16.030 4.343 1.00 0.00 C ATOM 0 HA PRO A 22 -3.661 14.462 3.357 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.848 17.229 3.174 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -3.800 16.437 4.736 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -1.564 17.767 3.218 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.942 17.862 4.927 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.032 16.235 3.991 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.907 15.812 5.409 1.00 0.00 H new ATOM 291 N ARG A 23 -1.860 15.196 0.955 1.00 0.00 N ATOM 292 CA ARG A 23 -1.781 15.313 -0.496 1.00 0.00 C ATOM 293 C ARG A 23 -1.285 14.012 -1.120 1.00 0.00 C ATOM 294 O ARG A 23 -1.552 13.730 -2.288 1.00 0.00 O ATOM 295 CB ARG A 23 -0.853 16.465 -0.886 1.00 0.00 C ATOM 296 CG ARG A 23 -0.909 17.644 0.072 1.00 0.00 C ATOM 297 CD ARG A 23 0.050 18.748 -0.345 1.00 0.00 C ATOM 298 NE ARG A 23 1.379 18.566 0.233 1.00 0.00 N ATOM 299 CZ ARG A 23 2.255 19.553 0.385 1.00 0.00 C ATOM 300 NH1 ARG A 23 1.944 20.784 0.003 1.00 0.00 N ATOM 301 NH2 ARG A 23 3.445 19.309 0.919 1.00 0.00 N ATOM 0 H ARG A 23 -0.980 14.947 1.407 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.782 15.518 -0.874 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.171 16.095 -0.934 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.115 16.808 -1.887 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.925 18.037 0.107 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.662 17.308 1.079 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.127 18.769 -1.432 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.351 19.713 -0.035 1.00 0.00 H new ATOM 0 HE ARG A 23 1.649 17.630 0.536 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.030 20.975 -0.409 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.618 21.540 0.121 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.688 18.363 1.213 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.117 20.067 1.035 1.00 0.00 H new ATOM 315 N THR A 24 -0.560 13.223 -0.333 1.00 0.00 N ATOM 316 CA THR A 24 -0.025 11.954 -0.808 1.00 0.00 C ATOM 317 C THR A 24 0.091 10.945 0.330 1.00 0.00 C ATOM 318 O THR A 24 0.080 11.315 1.504 1.00 0.00 O ATOM 319 CB THR A 24 1.359 12.136 -1.460 1.00 0.00 C ATOM 320 OG1 THR A 24 2.375 12.166 -0.451 1.00 0.00 O ATOM 321 CG2 THR A 24 1.409 13.419 -2.275 1.00 0.00 C ATOM 0 H THR A 24 -0.330 13.441 0.637 1.00 0.00 H new ATOM 0 HA THR A 24 -0.724 11.577 -1.555 1.00 0.00 H new ATOM 0 HB THR A 24 1.535 11.293 -2.128 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.183 12.588 -0.812 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.396 13.526 -2.726 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.654 13.381 -3.060 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.213 14.271 -1.624 1.00 0.00 H new ATOM 329 N VAL A 25 0.202 9.669 -0.026 1.00 0.00 N ATOM 330 CA VAL A 25 0.322 8.607 0.966 1.00 0.00 C ATOM 331 C VAL A 25 1.559 7.754 0.712 1.00 0.00 C ATOM 332 O VAL A 25 1.726 7.190 -0.370 1.00 0.00 O ATOM 333 CB VAL A 25 -0.922 7.699 0.969 1.00 0.00 C ATOM 334 CG1 VAL A 25 -0.622 6.384 1.671 1.00 0.00 C ATOM 335 CG2 VAL A 25 -2.097 8.408 1.626 1.00 0.00 C ATOM 0 H VAL A 25 0.211 9.346 -0.993 1.00 0.00 H new ATOM 0 HA VAL A 25 0.412 9.091 1.938 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.192 7.478 -0.064 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.513 5.756 1.663 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.188 5.871 1.152 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.326 6.581 2.701 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.968 7.752 1.620 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.841 8.660 2.655 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.326 9.320 1.075 1.00 0.00 H new ATOM 345 N HIS A 26 2.425 7.663 1.716 1.00 0.00 N ATOM 346 CA HIS A 26 3.649 6.878 1.601 1.00 0.00 C ATOM 347 C HIS A 26 3.604 5.664 2.525 1.00 0.00 C ATOM 348 O HIS A 26 3.449 5.801 3.740 1.00 0.00 O ATOM 349 CB HIS A 26 4.867 7.740 1.933 1.00 0.00 C ATOM 350 CG HIS A 26 6.173 7.039 1.719 1.00 0.00 C ATOM 351 ND1 HIS A 26 7.335 7.398 2.370 1.00 0.00 N ATOM 352 CD2 HIS A 26 6.497 5.994 0.922 1.00 0.00 C ATOM 353 CE1 HIS A 26 8.317 6.604 1.982 1.00 0.00 C ATOM 354 NE2 HIS A 26 7.835 5.743 1.104 1.00 0.00 N ATOM 0 H HIS A 26 2.302 8.123 2.618 1.00 0.00 H new ATOM 0 HA HIS A 26 3.731 6.528 0.572 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.843 8.641 1.319 1.00 0.00 H new ATOM 0 HB3 HIS A 26 4.802 8.061 2.973 1.00 0.00 H new ATOM 0 HD1 HIS A 26 7.422 8.158 3.045 1.00 0.00 H new ATOM 0 HD2 HIS A 26 5.828 5.458 0.265 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.340 6.651 2.325 1.00 0.00 H new ATOM 363 N LEU A 27 3.739 4.478 1.943 1.00 0.00 N ATOM 364 CA LEU A 27 3.713 3.240 2.714 1.00 0.00 C ATOM 365 C LEU A 27 5.003 2.450 2.519 1.00 0.00 C ATOM 366 O LEU A 27 5.605 2.477 1.446 1.00 0.00 O ATOM 367 CB LEU A 27 2.512 2.386 2.304 1.00 0.00 C ATOM 368 CG LEU A 27 1.958 1.447 3.376 1.00 0.00 C ATOM 369 CD1 LEU A 27 2.978 0.374 3.724 1.00 0.00 C ATOM 370 CD2 LEU A 27 1.562 2.232 4.618 1.00 0.00 C ATOM 0 H LEU A 27 3.868 4.347 0.940 1.00 0.00 H new ATOM 0 HA LEU A 27 3.623 3.500 3.769 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.711 3.052 1.984 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.795 1.788 1.438 1.00 0.00 H new ATOM 0 HG LEU A 27 1.068 0.958 2.980 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.566 -0.285 4.488 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.213 -0.207 2.832 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.886 0.844 4.101 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.170 1.548 5.371 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.436 2.748 5.016 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.796 2.963 4.358 1.00 0.00 H new ATOM 382 N THR A 28 5.423 1.745 3.565 1.00 0.00 N ATOM 383 CA THR A 28 6.641 0.946 3.510 1.00 0.00 C ATOM 384 C THR A 28 6.469 -0.371 4.258 1.00 0.00 C ATOM 385 O THR A 28 6.040 -0.389 5.411 1.00 0.00 O ATOM 386 CB THR A 28 7.840 1.709 4.104 1.00 0.00 C ATOM 387 OG1 THR A 28 7.527 2.160 5.427 1.00 0.00 O ATOM 388 CG2 THR A 28 8.211 2.898 3.232 1.00 0.00 C ATOM 0 H THR A 28 4.937 1.711 4.461 1.00 0.00 H new ATOM 0 HA THR A 28 6.837 0.739 2.458 1.00 0.00 H new ATOM 0 HB THR A 28 8.691 1.029 4.144 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.001 1.475 5.890 1.00 0.00 H new ATOM 0 HG21 THR A 28 9.060 3.421 3.672 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.477 2.549 2.234 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.362 3.578 3.164 1.00 0.00 H new ATOM 396 N TRP A 29 6.808 -1.471 3.595 1.00 0.00 N ATOM 397 CA TRP A 29 6.692 -2.793 4.199 1.00 0.00 C ATOM 398 C TRP A 29 7.998 -3.568 4.068 1.00 0.00 C ATOM 399 O TRP A 29 8.950 -3.096 3.447 1.00 0.00 O ATOM 400 CB TRP A 29 5.552 -3.576 3.545 1.00 0.00 C ATOM 401 CG TRP A 29 5.704 -3.719 2.061 1.00 0.00 C ATOM 402 CD1 TRP A 29 6.479 -4.628 1.400 1.00 0.00 C ATOM 403 CD2 TRP A 29 5.066 -2.926 1.054 1.00 0.00 C ATOM 404 NE1 TRP A 29 6.361 -4.449 0.043 1.00 0.00 N ATOM 405 CE2 TRP A 29 5.499 -3.411 -0.195 1.00 0.00 C ATOM 406 CE3 TRP A 29 4.168 -1.855 1.086 1.00 0.00 C ATOM 407 CZ2 TRP A 29 5.066 -2.860 -1.399 1.00 0.00 C ATOM 408 CZ3 TRP A 29 3.740 -1.309 -0.109 1.00 0.00 C ATOM 409 CH2 TRP A 29 4.188 -1.813 -1.338 1.00 0.00 C ATOM 0 H TRP A 29 7.165 -1.473 2.640 1.00 0.00 H new ATOM 0 HA TRP A 29 6.474 -2.663 5.259 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.497 -4.567 3.995 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.608 -3.076 3.760 1.00 0.00 H new ATOM 0 HD1 TRP A 29 7.095 -5.378 1.874 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.838 -4.999 -0.671 1.00 0.00 H new ATOM 0 HE3 TRP A 29 3.815 -1.461 2.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.411 -3.246 -2.347 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 3.048 -0.480 -0.096 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.833 -1.366 -2.255 1.00 0.00 H new ATOM 420 N GLN A 30 8.036 -4.760 4.656 1.00 0.00 N ATOM 421 CA GLN A 30 9.227 -5.599 4.604 1.00 0.00 C ATOM 422 C GLN A 30 9.259 -6.420 3.320 1.00 0.00 C ATOM 423 O GLN A 30 8.252 -6.981 2.887 1.00 0.00 O ATOM 424 CB GLN A 30 9.276 -6.527 5.819 1.00 0.00 C ATOM 425 CG GLN A 30 9.967 -5.915 7.026 1.00 0.00 C ATOM 426 CD GLN A 30 11.464 -6.155 7.025 1.00 0.00 C ATOM 427 OE1 GLN A 30 11.954 -7.089 6.391 1.00 0.00 O ATOM 428 NE2 GLN A 30 12.200 -5.310 7.738 1.00 0.00 N ATOM 0 H GLN A 30 7.256 -5.166 5.173 1.00 0.00 H new ATOM 0 HA GLN A 30 10.101 -4.947 4.618 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.259 -6.804 6.095 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.793 -7.446 5.543 1.00 0.00 H new ATOM 0 HG2 GLN A 30 9.775 -4.842 7.045 1.00 0.00 H new ATOM 0 HG3 GLN A 30 9.537 -6.332 7.937 1.00 0.00 H new ATOM 0 HE21 GLN A 30 11.752 -4.549 8.249 1.00 0.00 H new ATOM 0 HE22 GLN A 30 13.213 -5.422 7.775 1.00 0.00 H new ATOM 437 N PRO A 31 10.443 -6.494 2.693 1.00 0.00 N ATOM 438 CA PRO A 31 10.634 -7.245 1.449 1.00 0.00 C ATOM 439 C PRO A 31 10.542 -8.752 1.661 1.00 0.00 C ATOM 440 O PRO A 31 10.797 -9.251 2.757 1.00 0.00 O ATOM 441 CB PRO A 31 12.047 -6.852 1.011 1.00 0.00 C ATOM 442 CG PRO A 31 12.740 -6.463 2.271 1.00 0.00 C ATOM 443 CD PRO A 31 11.685 -5.851 3.151 1.00 0.00 C ATOM 0 HA PRO A 31 9.865 -7.015 0.712 1.00 0.00 H new ATOM 0 HB2 PRO A 31 12.555 -7.682 0.520 1.00 0.00 H new ATOM 0 HB3 PRO A 31 12.026 -6.026 0.300 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.194 -7.330 2.751 1.00 0.00 H new ATOM 0 HG3 PRO A 31 13.543 -5.753 2.072 1.00 0.00 H new ATOM 0 HD2 PRO A 31 11.876 -6.051 4.205 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.643 -4.768 3.034 1.00 0.00 H new ATOM 451 N SER A 32 10.176 -9.473 0.606 1.00 0.00 N ATOM 452 CA SER A 32 10.047 -10.923 0.678 1.00 0.00 C ATOM 453 C SER A 32 11.388 -11.602 0.413 1.00 0.00 C ATOM 454 O SER A 32 12.412 -10.937 0.258 1.00 0.00 O ATOM 455 CB SER A 32 9.006 -11.415 -0.329 1.00 0.00 C ATOM 456 OG SER A 32 7.691 -11.228 0.164 1.00 0.00 O ATOM 0 H SER A 32 9.964 -9.076 -0.309 1.00 0.00 H new ATOM 0 HA SER A 32 9.720 -11.184 1.684 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.124 -10.879 -1.270 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.171 -12.471 -0.541 1.00 0.00 H new ATOM 0 HG SER A 32 7.541 -11.823 0.928 1.00 0.00 H new ATOM 462 N ALA A 33 11.372 -12.930 0.362 1.00 0.00 N ATOM 463 CA ALA A 33 12.585 -13.699 0.114 1.00 0.00 C ATOM 464 C ALA A 33 12.474 -14.497 -1.180 1.00 0.00 C ATOM 465 O ALA A 33 12.616 -15.719 -1.182 1.00 0.00 O ATOM 466 CB ALA A 33 12.871 -14.627 1.286 1.00 0.00 C ATOM 0 H ALA A 33 10.533 -13.495 0.489 1.00 0.00 H new ATOM 0 HA ALA A 33 13.414 -12.999 0.008 1.00 0.00 H new ATOM 0 HB1 ALA A 33 13.780 -15.195 1.087 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.003 -14.037 2.193 1.00 0.00 H new ATOM 0 HB3 ALA A 33 12.035 -15.314 1.418 1.00 0.00 H new ATOM 472 N GLY A 34 12.216 -13.798 -2.282 1.00 0.00 N ATOM 473 CA GLY A 34 12.089 -14.459 -3.567 1.00 0.00 C ATOM 474 C GLY A 34 11.344 -13.614 -4.582 1.00 0.00 C ATOM 475 O GLY A 34 11.741 -13.535 -5.744 1.00 0.00 O ATOM 0 H GLY A 34 12.093 -12.786 -2.307 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.082 -14.693 -3.952 1.00 0.00 H new ATOM 0 HA3 GLY A 34 11.567 -15.407 -3.435 1.00 0.00 H new ATOM 479 N ALA A 35 10.261 -12.982 -4.143 1.00 0.00 N ATOM 480 CA ALA A 35 9.459 -12.139 -5.021 1.00 0.00 C ATOM 481 C ALA A 35 10.320 -11.081 -5.702 1.00 0.00 C ATOM 482 O ALA A 35 11.180 -10.465 -5.072 1.00 0.00 O ATOM 483 CB ALA A 35 8.333 -11.482 -4.238 1.00 0.00 C ATOM 0 H ALA A 35 9.918 -13.038 -3.184 1.00 0.00 H new ATOM 0 HA ALA A 35 9.026 -12.772 -5.796 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.742 -10.855 -4.906 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.695 -12.251 -3.804 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.754 -10.868 -3.442 1.00 0.00 H new ATOM 489 N THR A 36 10.084 -10.874 -6.994 1.00 0.00 N ATOM 490 CA THR A 36 10.839 -9.892 -7.761 1.00 0.00 C ATOM 491 C THR A 36 10.103 -8.558 -7.822 1.00 0.00 C ATOM 492 O THR A 36 10.700 -7.521 -8.112 1.00 0.00 O ATOM 493 CB THR A 36 11.106 -10.384 -9.196 1.00 0.00 C ATOM 494 OG1 THR A 36 11.170 -9.269 -10.093 1.00 0.00 O ATOM 495 CG2 THR A 36 10.016 -11.344 -9.650 1.00 0.00 C ATOM 0 H THR A 36 9.375 -11.374 -7.531 1.00 0.00 H new ATOM 0 HA THR A 36 11.791 -9.756 -7.249 1.00 0.00 H new ATOM 0 HB THR A 36 12.060 -10.911 -9.204 1.00 0.00 H new ATOM 0 HG1 THR A 36 11.341 -9.590 -11.003 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.226 -11.678 -10.666 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.989 -12.206 -8.983 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.052 -10.837 -9.627 1.00 0.00 H new ATOM 503 N HIS A 37 8.803 -8.592 -7.548 1.00 0.00 N ATOM 504 CA HIS A 37 7.985 -7.384 -7.570 1.00 0.00 C ATOM 505 C HIS A 37 6.758 -7.543 -6.678 1.00 0.00 C ATOM 506 O HIS A 37 6.395 -8.656 -6.296 1.00 0.00 O ATOM 507 CB HIS A 37 7.552 -7.063 -9.001 1.00 0.00 C ATOM 508 CG HIS A 37 6.950 -8.231 -9.721 1.00 0.00 C ATOM 509 ND1 HIS A 37 7.700 -9.145 -10.430 1.00 0.00 N ATOM 510 CD2 HIS A 37 5.662 -8.631 -9.837 1.00 0.00 C ATOM 511 CE1 HIS A 37 6.899 -10.056 -10.953 1.00 0.00 C ATOM 512 NE2 HIS A 37 5.657 -9.768 -10.607 1.00 0.00 N ATOM 0 H HIS A 37 8.293 -9.442 -7.308 1.00 0.00 H new ATOM 0 HA HIS A 37 8.586 -6.560 -7.187 1.00 0.00 H new ATOM 0 HB2 HIS A 37 6.828 -6.248 -8.979 1.00 0.00 H new ATOM 0 HB3 HIS A 37 8.416 -6.707 -9.562 1.00 0.00 H new ATOM 0 HD2 HIS A 37 4.799 -8.146 -9.405 1.00 0.00 H new ATOM 0 HE1 HIS A 37 7.207 -10.894 -11.560 1.00 0.00 H new ATOM 0 HE2 HIS A 37 4.829 -10.303 -10.869 1.00 0.00 H new ATOM 521 N TYR A 38 6.124 -6.423 -6.348 1.00 0.00 N ATOM 522 CA TYR A 38 4.939 -6.437 -5.498 1.00 0.00 C ATOM 523 C TYR A 38 3.785 -5.690 -6.159 1.00 0.00 C ATOM 524 O TYR A 38 3.986 -4.665 -6.813 1.00 0.00 O ATOM 525 CB TYR A 38 5.254 -5.812 -4.138 1.00 0.00 C ATOM 526 CG TYR A 38 6.670 -6.062 -3.670 1.00 0.00 C ATOM 527 CD1 TYR A 38 6.983 -7.180 -2.907 1.00 0.00 C ATOM 528 CD2 TYR A 38 7.695 -5.180 -3.990 1.00 0.00 C ATOM 529 CE1 TYR A 38 8.275 -7.413 -2.477 1.00 0.00 C ATOM 530 CE2 TYR A 38 8.990 -5.405 -3.565 1.00 0.00 C ATOM 531 CZ TYR A 38 9.275 -6.523 -2.808 1.00 0.00 C ATOM 532 OH TYR A 38 10.563 -6.750 -2.382 1.00 0.00 O ATOM 0 H TYR A 38 6.411 -5.494 -6.656 1.00 0.00 H new ATOM 0 HA TYR A 38 4.640 -7.475 -5.353 1.00 0.00 H new ATOM 0 HB2 TYR A 38 5.083 -4.737 -4.193 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.560 -6.207 -3.396 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.203 -7.879 -2.645 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.475 -4.303 -4.581 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.501 -8.287 -1.885 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.775 -4.710 -3.824 1.00 0.00 H new ATOM 0 HH TYR A 38 11.145 -6.029 -2.702 1.00 0.00 H new ATOM 542 N LEU A 39 2.575 -6.209 -5.984 1.00 0.00 N ATOM 543 CA LEU A 39 1.386 -5.592 -6.562 1.00 0.00 C ATOM 544 C LEU A 39 0.714 -4.660 -5.559 1.00 0.00 C ATOM 545 O LEU A 39 0.384 -5.064 -4.444 1.00 0.00 O ATOM 546 CB LEU A 39 0.399 -6.668 -7.016 1.00 0.00 C ATOM 547 CG LEU A 39 -0.707 -6.206 -7.966 1.00 0.00 C ATOM 548 CD1 LEU A 39 -1.647 -5.240 -7.261 1.00 0.00 C ATOM 549 CD2 LEU A 39 -0.109 -5.560 -9.207 1.00 0.00 C ATOM 0 H LEU A 39 2.391 -7.056 -5.446 1.00 0.00 H new ATOM 0 HA LEU A 39 1.695 -5.004 -7.426 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.960 -7.465 -7.504 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.067 -7.102 -6.131 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.281 -7.079 -8.276 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.427 -4.922 -7.952 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.102 -5.736 -6.403 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.086 -4.369 -6.921 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.911 -5.237 -9.871 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.490 -4.697 -8.915 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.523 -6.282 -9.724 1.00 0.00 H new ATOM 561 N VAL A 40 0.514 -3.409 -5.963 1.00 0.00 N ATOM 562 CA VAL A 40 -0.122 -2.420 -5.102 1.00 0.00 C ATOM 563 C VAL A 40 -1.487 -2.014 -5.646 1.00 0.00 C ATOM 564 O VAL A 40 -1.582 -1.237 -6.596 1.00 0.00 O ATOM 565 CB VAL A 40 0.753 -1.162 -4.951 1.00 0.00 C ATOM 566 CG1 VAL A 40 -0.076 0.008 -4.443 1.00 0.00 C ATOM 567 CG2 VAL A 40 1.926 -1.438 -4.022 1.00 0.00 C ATOM 0 H VAL A 40 0.784 -3.057 -6.882 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.248 -2.886 -4.125 1.00 0.00 H new ATOM 0 HB VAL A 40 1.149 -0.897 -5.931 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.560 0.888 -4.343 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.879 0.219 -5.149 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.504 -0.243 -3.472 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.534 -0.538 -3.927 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.552 -1.729 -3.040 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.533 -2.245 -4.433 1.00 0.00 H new ATOM 577 N ARG A 41 -2.543 -2.544 -5.036 1.00 0.00 N ATOM 578 CA ARG A 41 -3.904 -2.237 -5.460 1.00 0.00 C ATOM 579 C ARG A 41 -4.489 -1.101 -4.626 1.00 0.00 C ATOM 580 O ARG A 41 -4.767 -1.269 -3.438 1.00 0.00 O ATOM 581 CB ARG A 41 -4.789 -3.479 -5.343 1.00 0.00 C ATOM 582 CG ARG A 41 -5.913 -3.524 -6.365 1.00 0.00 C ATOM 583 CD ARG A 41 -6.490 -4.925 -6.497 1.00 0.00 C ATOM 584 NE ARG A 41 -5.449 -5.930 -6.691 1.00 0.00 N ATOM 585 CZ ARG A 41 -5.671 -7.238 -6.635 1.00 0.00 C ATOM 586 NH1 ARG A 41 -6.891 -7.698 -6.393 1.00 0.00 N ATOM 587 NH2 ARG A 41 -4.671 -8.091 -6.823 1.00 0.00 N ATOM 0 H ARG A 41 -2.482 -3.188 -4.247 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.871 -1.920 -6.502 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.169 -4.368 -5.457 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.218 -3.516 -4.342 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.701 -2.831 -6.071 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.540 -3.190 -7.333 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.064 -5.166 -5.602 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.183 -4.954 -7.338 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.499 -5.610 -6.880 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.662 -7.046 -6.249 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.058 -8.703 -6.351 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.731 -7.742 -7.011 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.843 -9.096 -6.780 1.00 0.00 H new ATOM 601 N CYS A 42 -4.673 0.054 -5.256 1.00 0.00 N ATOM 602 CA CYS A 42 -5.225 1.218 -4.572 1.00 0.00 C ATOM 603 C CYS A 42 -6.741 1.272 -4.726 1.00 0.00 C ATOM 604 O CYS A 42 -7.266 1.173 -5.836 1.00 0.00 O ATOM 605 CB CYS A 42 -4.598 2.501 -5.119 1.00 0.00 C ATOM 606 SG CYS A 42 -5.381 4.018 -4.523 1.00 0.00 S ATOM 0 H CYS A 42 -4.448 0.209 -6.239 1.00 0.00 H new ATOM 0 HA CYS A 42 -4.990 1.131 -3.511 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.542 2.520 -4.850 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -4.649 2.482 -6.208 1.00 0.00 H new ATOM 0 HG CYS A 42 -4.780 5.048 -5.039 1.00 0.00 H new ATOM 612 N SER A 43 -7.440 1.428 -3.607 1.00 0.00 N ATOM 613 CA SER A 43 -8.897 1.489 -3.617 1.00 0.00 C ATOM 614 C SER A 43 -9.414 2.319 -2.446 1.00 0.00 C ATOM 615 O SER A 43 -8.878 2.277 -1.338 1.00 0.00 O ATOM 616 CB SER A 43 -9.488 0.079 -3.558 1.00 0.00 C ATOM 617 OG SER A 43 -9.560 -0.389 -2.223 1.00 0.00 O ATOM 0 H SER A 43 -7.021 1.515 -2.681 1.00 0.00 H new ATOM 0 HA SER A 43 -9.210 1.968 -4.545 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.484 0.080 -4.000 1.00 0.00 H new ATOM 0 HB3 SER A 43 -8.876 -0.600 -4.152 1.00 0.00 H new ATOM 0 HG SER A 43 -9.942 -1.291 -2.213 1.00 0.00 H new ATOM 623 N PRO A 44 -10.481 3.092 -2.695 1.00 0.00 N ATOM 624 CA PRO A 44 -11.096 3.946 -1.674 1.00 0.00 C ATOM 625 C PRO A 44 -11.809 3.139 -0.595 1.00 0.00 C ATOM 626 O PRO A 44 -12.404 2.098 -0.876 1.00 0.00 O ATOM 627 CB PRO A 44 -12.102 4.782 -2.469 1.00 0.00 C ATOM 628 CG PRO A 44 -12.427 3.950 -3.662 1.00 0.00 C ATOM 629 CD PRO A 44 -11.171 3.191 -3.992 1.00 0.00 C ATOM 0 HA PRO A 44 -10.355 4.540 -1.140 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.994 4.994 -1.879 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.676 5.742 -2.760 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.251 3.268 -3.450 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.738 4.574 -4.500 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -11.393 2.207 -4.405 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -10.566 3.717 -4.730 1.00 0.00 H new ATOM 637 N ALA A 45 -11.747 3.625 0.640 1.00 0.00 N ATOM 638 CA ALA A 45 -12.390 2.949 1.760 1.00 0.00 C ATOM 639 C ALA A 45 -13.908 3.055 1.668 1.00 0.00 C ATOM 640 O ALA A 45 -14.630 2.162 2.110 1.00 0.00 O ATOM 641 CB ALA A 45 -11.898 3.529 3.079 1.00 0.00 C ATOM 0 H ALA A 45 -11.258 4.484 0.890 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.123 1.893 1.717 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -12.386 3.015 3.907 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.819 3.396 3.155 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -12.136 4.592 3.121 1.00 0.00 H new ATOM 647 N SER A 46 -14.386 4.154 1.091 1.00 0.00 N ATOM 648 CA SER A 46 -15.819 4.378 0.945 1.00 0.00 C ATOM 649 C SER A 46 -16.187 4.606 -0.518 1.00 0.00 C ATOM 650 O SER A 46 -15.502 5.319 -1.253 1.00 0.00 O ATOM 651 CB SER A 46 -16.257 5.579 1.786 1.00 0.00 C ATOM 652 OG SER A 46 -17.625 5.880 1.571 1.00 0.00 O ATOM 0 H SER A 46 -13.802 4.902 0.718 1.00 0.00 H new ATOM 0 HA SER A 46 -16.339 3.487 1.298 1.00 0.00 H new ATOM 0 HB2 SER A 46 -16.089 5.368 2.842 1.00 0.00 H new ATOM 0 HB3 SER A 46 -15.647 6.446 1.533 1.00 0.00 H new ATOM 0 HG SER A 46 -17.881 6.650 2.121 1.00 0.00 H new ATOM 658 N PRO A 47 -17.294 3.987 -0.953 1.00 0.00 N ATOM 659 CA PRO A 47 -17.779 4.106 -2.331 1.00 0.00 C ATOM 660 C PRO A 47 -18.320 5.499 -2.636 1.00 0.00 C ATOM 661 O PRO A 47 -18.704 5.793 -3.768 1.00 0.00 O ATOM 662 CB PRO A 47 -18.902 3.068 -2.403 1.00 0.00 C ATOM 663 CG PRO A 47 -19.371 2.920 -0.997 1.00 0.00 C ATOM 664 CD PRO A 47 -18.158 3.122 -0.132 1.00 0.00 C ATOM 0 HA PRO A 47 -16.984 3.944 -3.059 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -19.708 3.402 -3.056 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -18.540 2.120 -2.802 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -20.143 3.653 -0.764 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -19.808 1.935 -0.833 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -18.415 3.594 0.816 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -17.671 2.176 0.105 1.00 0.00 H new ATOM 672 N LYS A 48 -18.348 6.354 -1.619 1.00 0.00 N ATOM 673 CA LYS A 48 -18.841 7.717 -1.778 1.00 0.00 C ATOM 674 C LYS A 48 -17.899 8.537 -2.654 1.00 0.00 C ATOM 675 O LYS A 48 -16.686 8.531 -2.453 1.00 0.00 O ATOM 676 CB LYS A 48 -18.997 8.387 -0.411 1.00 0.00 C ATOM 677 CG LYS A 48 -17.714 9.011 0.111 1.00 0.00 C ATOM 678 CD LYS A 48 -17.940 9.735 1.427 1.00 0.00 C ATOM 679 CE LYS A 48 -16.670 10.415 1.915 1.00 0.00 C ATOM 680 NZ LYS A 48 -15.731 9.448 2.547 1.00 0.00 N ATOM 0 H LYS A 48 -18.035 6.127 -0.675 1.00 0.00 H new ATOM 0 HA LYS A 48 -19.814 7.671 -2.266 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -19.764 9.158 -0.479 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -19.350 7.648 0.308 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -16.960 8.235 0.246 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -17.322 9.711 -0.627 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -18.728 10.478 1.304 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -18.286 9.026 2.179 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -16.176 10.906 1.077 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -16.928 11.193 2.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.878 9.950 2.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -16.193 8.998 3.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -15.465 8.719 1.854 1.00 0.00 H new ATOM 694 N GLY A 49 -18.468 9.244 -3.626 1.00 0.00 N ATOM 695 CA GLY A 49 -17.664 10.060 -4.517 1.00 0.00 C ATOM 696 C GLY A 49 -17.205 9.299 -5.745 1.00 0.00 C ATOM 697 O GLY A 49 -17.887 8.385 -6.206 1.00 0.00 O ATOM 0 H GLY A 49 -19.471 9.266 -3.812 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -18.242 10.930 -4.828 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -16.793 10.432 -3.977 1.00 0.00 H new ATOM 701 N GLU A 50 -16.047 9.678 -6.276 1.00 0.00 N ATOM 702 CA GLU A 50 -15.499 9.026 -7.459 1.00 0.00 C ATOM 703 C GLU A 50 -14.550 7.897 -7.068 1.00 0.00 C ATOM 704 O GLU A 50 -13.332 8.071 -7.064 1.00 0.00 O ATOM 705 CB GLU A 50 -14.766 10.043 -8.337 1.00 0.00 C ATOM 706 CG GLU A 50 -15.683 10.812 -9.272 1.00 0.00 C ATOM 707 CD GLU A 50 -16.391 9.912 -10.266 1.00 0.00 C ATOM 708 OE1 GLU A 50 -17.442 9.341 -9.908 1.00 0.00 O ATOM 709 OE2 GLU A 50 -15.893 9.778 -11.404 1.00 0.00 O ATOM 0 H GLU A 50 -15.470 10.433 -5.905 1.00 0.00 H new ATOM 0 HA GLU A 50 -16.328 8.601 -8.024 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -14.238 10.750 -7.697 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -14.012 9.523 -8.928 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -16.425 11.352 -8.684 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -15.101 11.558 -9.813 1.00 0.00 H new ATOM 716 N GLU A 51 -15.118 6.741 -6.740 1.00 0.00 N ATOM 717 CA GLU A 51 -14.322 5.584 -6.346 1.00 0.00 C ATOM 718 C GLU A 51 -13.877 4.787 -7.569 1.00 0.00 C ATOM 719 O GLU A 51 -14.589 4.721 -8.570 1.00 0.00 O ATOM 720 CB GLU A 51 -15.121 4.685 -5.401 1.00 0.00 C ATOM 721 CG GLU A 51 -16.361 4.081 -6.039 1.00 0.00 C ATOM 722 CD GLU A 51 -16.030 2.973 -7.020 1.00 0.00 C ATOM 723 OE1 GLU A 51 -15.283 2.048 -6.640 1.00 0.00 O ATOM 724 OE2 GLU A 51 -16.518 3.031 -8.168 1.00 0.00 O ATOM 0 H GLU A 51 -16.125 6.581 -6.739 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.434 5.946 -5.827 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -14.476 3.881 -5.047 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.418 5.264 -4.527 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -17.012 3.688 -5.258 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -16.918 4.863 -6.554 1.00 0.00 H new ATOM 731 N GLU A 52 -12.695 4.186 -7.479 1.00 0.00 N ATOM 732 CA GLU A 52 -12.156 3.395 -8.578 1.00 0.00 C ATOM 733 C GLU A 52 -11.038 2.477 -8.091 1.00 0.00 C ATOM 734 O GLU A 52 -10.150 2.903 -7.353 1.00 0.00 O ATOM 735 CB GLU A 52 -11.631 4.312 -9.686 1.00 0.00 C ATOM 736 CG GLU A 52 -10.963 3.565 -10.828 1.00 0.00 C ATOM 737 CD GLU A 52 -10.979 4.349 -12.126 1.00 0.00 C ATOM 738 OE1 GLU A 52 -12.046 4.894 -12.477 1.00 0.00 O ATOM 739 OE2 GLU A 52 -9.924 4.418 -12.790 1.00 0.00 O ATOM 0 H GLU A 52 -12.093 4.232 -6.657 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.961 2.778 -8.977 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -12.459 4.900 -10.082 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.918 5.015 -9.256 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.932 3.340 -10.556 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -11.468 2.611 -10.978 1.00 0.00 H new ATOM 746 N GLU A 53 -11.091 1.217 -8.510 1.00 0.00 N ATOM 747 CA GLU A 53 -10.084 0.239 -8.115 1.00 0.00 C ATOM 748 C GLU A 53 -8.853 0.332 -9.012 1.00 0.00 C ATOM 749 O GLU A 53 -8.880 -0.094 -10.167 1.00 0.00 O ATOM 750 CB GLU A 53 -10.664 -1.176 -8.172 1.00 0.00 C ATOM 751 CG GLU A 53 -11.933 -1.347 -7.354 1.00 0.00 C ATOM 752 CD GLU A 53 -12.543 -2.727 -7.505 1.00 0.00 C ATOM 753 OE1 GLU A 53 -12.149 -3.637 -6.746 1.00 0.00 O ATOM 754 OE2 GLU A 53 -13.415 -2.897 -8.383 1.00 0.00 O ATOM 0 H GLU A 53 -11.819 0.850 -9.122 1.00 0.00 H new ATOM 0 HA GLU A 53 -9.783 0.460 -7.091 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -10.874 -1.432 -9.211 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -9.914 -1.882 -7.815 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -11.710 -1.165 -6.303 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -12.662 -0.596 -7.660 1.00 0.00 H new ATOM 761 N ARG A 54 -7.776 0.893 -8.472 1.00 0.00 N ATOM 762 CA ARG A 54 -6.536 1.044 -9.224 1.00 0.00 C ATOM 763 C ARG A 54 -5.489 0.038 -8.755 1.00 0.00 C ATOM 764 O ARG A 54 -5.490 -0.377 -7.596 1.00 0.00 O ATOM 765 CB ARG A 54 -5.994 2.467 -9.073 1.00 0.00 C ATOM 766 CG ARG A 54 -4.756 2.739 -9.913 1.00 0.00 C ATOM 767 CD ARG A 54 -5.089 2.787 -11.396 1.00 0.00 C ATOM 768 NE ARG A 54 -5.789 4.016 -11.760 1.00 0.00 N ATOM 769 CZ ARG A 54 -6.194 4.293 -12.995 1.00 0.00 C ATOM 770 NH1 ARG A 54 -5.970 3.432 -13.978 1.00 0.00 N ATOM 771 NH2 ARG A 54 -6.826 5.432 -13.247 1.00 0.00 N ATOM 0 H ARG A 54 -7.737 1.250 -7.517 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.753 0.853 -10.275 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.774 3.175 -9.351 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.758 2.648 -8.024 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.309 3.685 -9.608 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.013 1.962 -9.731 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.170 2.708 -11.977 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.706 1.927 -11.657 1.00 0.00 H new ATOM 0 HE ARG A 54 -5.977 4.699 -11.026 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.486 2.555 -13.787 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.282 3.647 -14.925 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.001 6.096 -12.493 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.137 5.644 -14.195 1.00 0.00 H new ATOM 785 N GLU A 55 -4.600 -0.350 -9.663 1.00 0.00 N ATOM 786 CA GLU A 55 -3.549 -1.309 -9.342 1.00 0.00 C ATOM 787 C GLU A 55 -2.272 -0.997 -10.115 1.00 0.00 C ATOM 788 O GLU A 55 -2.312 -0.708 -11.312 1.00 0.00 O ATOM 789 CB GLU A 55 -4.014 -2.733 -9.657 1.00 0.00 C ATOM 790 CG GLU A 55 -4.069 -3.040 -11.144 1.00 0.00 C ATOM 791 CD GLU A 55 -5.223 -2.346 -11.840 1.00 0.00 C ATOM 792 OE1 GLU A 55 -5.100 -1.139 -12.135 1.00 0.00 O ATOM 793 OE2 GLU A 55 -6.251 -3.010 -12.091 1.00 0.00 O ATOM 0 H GLU A 55 -4.586 -0.015 -10.626 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.335 -1.231 -8.276 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.342 -3.441 -9.173 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -5.003 -2.887 -9.226 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.132 -2.734 -11.609 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.159 -4.117 -11.286 1.00 0.00 H new ATOM 800 N VAL A 56 -1.138 -1.056 -9.423 1.00 0.00 N ATOM 801 CA VAL A 56 0.152 -0.779 -10.044 1.00 0.00 C ATOM 802 C VAL A 56 1.228 -1.723 -9.518 1.00 0.00 C ATOM 803 O VAL A 56 1.053 -2.362 -8.481 1.00 0.00 O ATOM 804 CB VAL A 56 0.594 0.675 -9.796 1.00 0.00 C ATOM 805 CG1 VAL A 56 -0.280 1.640 -10.582 1.00 0.00 C ATOM 806 CG2 VAL A 56 0.556 0.997 -8.310 1.00 0.00 C ATOM 0 H VAL A 56 -1.087 -1.293 -8.432 1.00 0.00 H new ATOM 0 HA VAL A 56 0.028 -0.935 -11.116 1.00 0.00 H new ATOM 0 HB VAL A 56 1.621 0.789 -10.143 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.047 2.663 -10.394 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.196 1.422 -11.647 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.318 1.528 -10.269 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.871 2.028 -8.153 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.459 0.867 -7.935 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.229 0.327 -7.775 1.00 0.00 H new ATOM 816 N GLN A 57 2.340 -1.804 -10.241 1.00 0.00 N ATOM 817 CA GLN A 57 3.445 -2.670 -9.847 1.00 0.00 C ATOM 818 C GLN A 57 4.682 -1.849 -9.498 1.00 0.00 C ATOM 819 O GLN A 57 5.142 -1.030 -10.293 1.00 0.00 O ATOM 820 CB GLN A 57 3.773 -3.656 -10.969 1.00 0.00 C ATOM 821 CG GLN A 57 2.992 -4.958 -10.883 1.00 0.00 C ATOM 822 CD GLN A 57 3.070 -5.771 -12.160 1.00 0.00 C ATOM 823 OE1 GLN A 57 3.406 -5.248 -13.223 1.00 0.00 O ATOM 824 NE2 GLN A 57 2.761 -7.059 -12.062 1.00 0.00 N ATOM 0 H GLN A 57 2.500 -1.281 -11.102 1.00 0.00 H new ATOM 0 HA GLN A 57 3.139 -3.227 -8.961 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.568 -3.182 -11.929 1.00 0.00 H new ATOM 0 HB3 GLN A 57 4.840 -3.880 -10.945 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.375 -5.553 -10.054 1.00 0.00 H new ATOM 0 HG3 GLN A 57 1.948 -4.737 -10.661 1.00 0.00 H new ATOM 0 HE21 GLN A 57 2.488 -7.451 -11.161 1.00 0.00 H new ATOM 0 HE22 GLN A 57 2.797 -7.656 -12.888 1.00 0.00 H new ATOM 833 N VAL A 58 5.217 -2.074 -8.302 1.00 0.00 N ATOM 834 CA VAL A 58 6.402 -1.356 -7.847 1.00 0.00 C ATOM 835 C VAL A 58 7.549 -2.317 -7.556 1.00 0.00 C ATOM 836 O VAL A 58 7.341 -3.405 -7.021 1.00 0.00 O ATOM 837 CB VAL A 58 6.106 -0.530 -6.581 1.00 0.00 C ATOM 838 CG1 VAL A 58 5.046 0.523 -6.867 1.00 0.00 C ATOM 839 CG2 VAL A 58 5.672 -1.439 -5.441 1.00 0.00 C ATOM 0 H VAL A 58 4.849 -2.748 -7.631 1.00 0.00 H new ATOM 0 HA VAL A 58 6.692 -0.682 -8.653 1.00 0.00 H new ATOM 0 HB VAL A 58 7.020 -0.019 -6.279 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.850 1.097 -5.961 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.400 1.192 -7.651 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.128 0.035 -7.194 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.467 -0.839 -4.555 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.770 -1.979 -5.730 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.467 -2.151 -5.221 1.00 0.00 H new ATOM 849 N GLY A 59 8.762 -1.907 -7.912 1.00 0.00 N ATOM 850 CA GLY A 59 9.926 -2.743 -7.681 1.00 0.00 C ATOM 851 C GLY A 59 10.396 -2.698 -6.241 1.00 0.00 C ATOM 852 O GLY A 59 11.114 -3.588 -5.787 1.00 0.00 O ATOM 0 H GLY A 59 8.960 -1.011 -8.356 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.689 -3.772 -7.951 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.736 -2.421 -8.335 1.00 0.00 H new ATOM 856 N ARG A 60 9.990 -1.657 -5.520 1.00 0.00 N ATOM 857 CA ARG A 60 10.377 -1.498 -4.123 1.00 0.00 C ATOM 858 C ARG A 60 9.187 -1.738 -3.199 1.00 0.00 C ATOM 859 O ARG A 60 8.029 -1.555 -3.577 1.00 0.00 O ATOM 860 CB ARG A 60 10.946 -0.098 -3.886 1.00 0.00 C ATOM 861 CG ARG A 60 11.757 0.436 -5.055 1.00 0.00 C ATOM 862 CD ARG A 60 13.215 0.013 -4.960 1.00 0.00 C ATOM 863 NE ARG A 60 14.014 0.971 -4.201 1.00 0.00 N ATOM 864 CZ ARG A 60 15.242 0.718 -3.761 1.00 0.00 C ATOM 865 NH1 ARG A 60 15.808 -0.456 -4.004 1.00 0.00 N ATOM 866 NH2 ARG A 60 15.906 1.641 -3.077 1.00 0.00 N ATOM 0 H ARG A 60 9.394 -0.912 -5.880 1.00 0.00 H new ATOM 0 HA ARG A 60 11.145 -2.238 -3.898 1.00 0.00 H new ATOM 0 HB2 ARG A 60 10.125 0.589 -3.681 1.00 0.00 H new ATOM 0 HB3 ARG A 60 11.576 -0.117 -2.996 1.00 0.00 H new ATOM 0 HG2 ARG A 60 11.332 0.073 -5.991 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.693 1.524 -5.077 1.00 0.00 H new ATOM 0 HD2 ARG A 60 13.278 -0.967 -4.487 1.00 0.00 H new ATOM 0 HD3 ARG A 60 13.629 -0.090 -5.963 1.00 0.00 H new ATOM 0 HE ARG A 60 13.607 1.884 -3.998 1.00 0.00 H new ATOM 0 HH11 ARG A 60 15.301 -1.168 -4.530 1.00 0.00 H new ATOM 0 HH12 ARG A 60 16.751 -0.648 -3.665 1.00 0.00 H new ATOM 0 HH21 ARG A 60 15.474 2.545 -2.889 1.00 0.00 H new ATOM 0 HH22 ARG A 60 16.849 1.446 -2.740 1.00 0.00 H new ATOM 880 N PRO A 61 9.476 -2.160 -1.959 1.00 0.00 N ATOM 881 CA PRO A 61 8.443 -2.435 -0.956 1.00 0.00 C ATOM 882 C PRO A 61 7.755 -1.164 -0.469 1.00 0.00 C ATOM 883 O PRO A 61 6.906 -1.209 0.421 1.00 0.00 O ATOM 884 CB PRO A 61 9.224 -3.091 0.186 1.00 0.00 C ATOM 885 CG PRO A 61 10.615 -2.581 0.036 1.00 0.00 C ATOM 886 CD PRO A 61 10.833 -2.400 -1.441 1.00 0.00 C ATOM 0 HA PRO A 61 7.642 -3.057 -1.356 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.807 -2.822 1.156 1.00 0.00 H new ATOM 0 HB3 PRO A 61 9.191 -4.178 0.115 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.744 -1.638 0.568 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.336 -3.284 0.454 1.00 0.00 H new ATOM 0 HD2 PRO A 61 11.497 -1.561 -1.649 1.00 0.00 H new ATOM 0 HD3 PRO A 61 11.285 -3.284 -1.892 1.00 0.00 H new ATOM 894 N GLU A 62 8.127 -0.032 -1.058 1.00 0.00 N ATOM 895 CA GLU A 62 7.545 1.251 -0.683 1.00 0.00 C ATOM 896 C GLU A 62 6.698 1.817 -1.819 1.00 0.00 C ATOM 897 O GLU A 62 7.072 1.733 -2.989 1.00 0.00 O ATOM 898 CB GLU A 62 8.645 2.246 -0.308 1.00 0.00 C ATOM 899 CG GLU A 62 9.524 2.651 -1.479 1.00 0.00 C ATOM 900 CD GLU A 62 8.982 3.853 -2.228 1.00 0.00 C ATOM 901 OE1 GLU A 62 9.082 4.978 -1.697 1.00 0.00 O ATOM 902 OE2 GLU A 62 8.456 3.667 -3.346 1.00 0.00 O ATOM 0 H GLU A 62 8.828 0.023 -1.796 1.00 0.00 H new ATOM 0 HA GLU A 62 6.901 1.090 0.182 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.186 3.139 0.117 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.270 1.808 0.470 1.00 0.00 H new ATOM 0 HG2 GLU A 62 10.526 2.876 -1.115 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.616 1.810 -2.167 1.00 0.00 H new ATOM 909 N VAL A 63 5.554 2.395 -1.466 1.00 0.00 N ATOM 910 CA VAL A 63 4.653 2.975 -2.454 1.00 0.00 C ATOM 911 C VAL A 63 4.202 4.370 -2.034 1.00 0.00 C ATOM 912 O VAL A 63 3.867 4.602 -0.872 1.00 0.00 O ATOM 913 CB VAL A 63 3.412 2.090 -2.672 1.00 0.00 C ATOM 914 CG1 VAL A 63 2.561 2.044 -1.412 1.00 0.00 C ATOM 915 CG2 VAL A 63 2.600 2.593 -3.856 1.00 0.00 C ATOM 0 H VAL A 63 5.229 2.474 -0.502 1.00 0.00 H new ATOM 0 HA VAL A 63 5.210 3.042 -3.389 1.00 0.00 H new ATOM 0 HB VAL A 63 3.745 1.076 -2.894 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.689 1.414 -1.585 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.148 1.633 -0.591 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.235 3.052 -1.156 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.727 1.956 -3.995 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.276 3.616 -3.666 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.215 2.568 -4.756 1.00 0.00 H new ATOM 925 N LEU A 64 4.194 5.295 -2.987 1.00 0.00 N ATOM 926 CA LEU A 64 3.782 6.668 -2.717 1.00 0.00 C ATOM 927 C LEU A 64 2.670 7.100 -3.667 1.00 0.00 C ATOM 928 O LEU A 64 2.872 7.186 -4.879 1.00 0.00 O ATOM 929 CB LEU A 64 4.977 7.615 -2.848 1.00 0.00 C ATOM 930 CG LEU A 64 4.663 9.108 -2.755 1.00 0.00 C ATOM 931 CD1 LEU A 64 4.191 9.469 -1.355 1.00 0.00 C ATOM 932 CD2 LEU A 64 5.883 9.934 -3.138 1.00 0.00 C ATOM 0 H LEU A 64 4.468 5.119 -3.954 1.00 0.00 H new ATOM 0 HA LEU A 64 3.401 6.713 -1.697 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.699 7.367 -2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.462 7.425 -3.805 1.00 0.00 H new ATOM 0 HG LEU A 64 3.860 9.335 -3.456 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.972 10.536 -1.309 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.290 8.903 -1.118 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.972 9.227 -0.634 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.642 10.994 -3.066 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.706 9.703 -2.462 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.176 9.697 -4.161 1.00 0.00 H new ATOM 944 N LEU A 65 1.496 7.374 -3.109 1.00 0.00 N ATOM 945 CA LEU A 65 0.351 7.800 -3.906 1.00 0.00 C ATOM 946 C LEU A 65 0.230 9.321 -3.915 1.00 0.00 C ATOM 947 O LEU A 65 -0.193 9.926 -2.930 1.00 0.00 O ATOM 948 CB LEU A 65 -0.936 7.178 -3.359 1.00 0.00 C ATOM 949 CG LEU A 65 -1.063 5.662 -3.507 1.00 0.00 C ATOM 950 CD1 LEU A 65 -2.241 5.144 -2.696 1.00 0.00 C ATOM 951 CD2 LEU A 65 -1.213 5.279 -4.972 1.00 0.00 C ATOM 0 H LEU A 65 1.312 7.309 -2.108 1.00 0.00 H new ATOM 0 HA LEU A 65 0.505 7.460 -4.930 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.016 7.428 -2.301 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.783 7.644 -3.861 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.153 5.201 -3.123 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.316 4.063 -2.813 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.092 5.385 -1.644 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.160 5.612 -3.049 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.302 4.196 -5.058 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.107 5.750 -5.382 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.338 5.616 -5.528 1.00 0.00 H new ATOM 963 N ASP A 66 0.601 9.931 -5.035 1.00 0.00 N ATOM 964 CA ASP A 66 0.531 11.381 -5.175 1.00 0.00 C ATOM 965 C ASP A 66 -0.852 11.815 -5.652 1.00 0.00 C ATOM 966 O ASP A 66 -1.490 11.126 -6.446 1.00 0.00 O ATOM 967 CB ASP A 66 1.599 11.873 -6.153 1.00 0.00 C ATOM 968 CG ASP A 66 1.484 11.216 -7.514 1.00 0.00 C ATOM 969 OD1 ASP A 66 0.347 11.074 -8.010 1.00 0.00 O ATOM 970 OD2 ASP A 66 2.531 10.843 -8.084 1.00 0.00 O ATOM 0 H ASP A 66 0.953 9.444 -5.859 1.00 0.00 H new ATOM 0 HA ASP A 66 0.714 11.825 -4.196 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.514 12.954 -6.266 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.587 11.673 -5.738 1.00 0.00 H new ATOM 975 N GLY A 67 -1.309 12.963 -5.161 1.00 0.00 N ATOM 976 CA GLY A 67 -2.613 13.468 -5.547 1.00 0.00 C ATOM 977 C GLY A 67 -3.735 12.862 -4.728 1.00 0.00 C ATOM 978 O GLY A 67 -4.462 11.991 -5.207 1.00 0.00 O ATOM 0 H GLY A 67 -0.799 13.552 -4.503 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.628 14.552 -5.432 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.783 13.257 -6.603 1.00 0.00 H new ATOM 982 N LEU A 68 -3.877 13.322 -3.490 1.00 0.00 N ATOM 983 CA LEU A 68 -4.919 12.818 -2.602 1.00 0.00 C ATOM 984 C LEU A 68 -5.602 13.962 -1.860 1.00 0.00 C ATOM 985 O LEU A 68 -5.128 15.097 -1.879 1.00 0.00 O ATOM 986 CB LEU A 68 -4.326 11.827 -1.599 1.00 0.00 C ATOM 987 CG LEU A 68 -3.765 10.531 -2.187 1.00 0.00 C ATOM 988 CD1 LEU A 68 -2.864 9.834 -1.179 1.00 0.00 C ATOM 989 CD2 LEU A 68 -4.896 9.610 -2.621 1.00 0.00 C ATOM 0 H LEU A 68 -3.284 14.043 -3.078 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.665 12.307 -3.211 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.529 12.329 -1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.098 11.569 -0.874 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.169 10.780 -3.065 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.474 8.914 -1.615 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.035 10.491 -0.917 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.437 9.597 -0.282 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.479 8.693 -3.037 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.519 9.368 -1.760 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.502 10.109 -3.378 1.00 0.00 H new ATOM 1001 N GLU A 69 -6.718 13.654 -1.206 1.00 0.00 N ATOM 1002 CA GLU A 69 -7.465 14.657 -0.456 1.00 0.00 C ATOM 1003 C GLU A 69 -7.317 14.435 1.046 1.00 0.00 C ATOM 1004 O GLU A 69 -7.259 13.304 1.530 1.00 0.00 O ATOM 1005 CB GLU A 69 -8.944 14.619 -0.846 1.00 0.00 C ATOM 1006 CG GLU A 69 -9.233 15.240 -2.202 1.00 0.00 C ATOM 1007 CD GLU A 69 -9.183 16.756 -2.173 1.00 0.00 C ATOM 1008 OE1 GLU A 69 -9.863 17.356 -1.315 1.00 0.00 O ATOM 1009 OE2 GLU A 69 -8.462 17.341 -3.008 1.00 0.00 O ATOM 0 H GLU A 69 -7.124 12.719 -1.180 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.057 15.637 -0.702 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.283 13.583 -0.851 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.525 15.141 -0.086 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.509 14.870 -2.928 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.218 14.919 -2.542 1.00 0.00 H new ATOM 1016 N PRO A 70 -7.255 15.540 1.804 1.00 0.00 N ATOM 1017 CA PRO A 70 -7.113 15.494 3.262 1.00 0.00 C ATOM 1018 C PRO A 70 -8.371 14.975 3.950 1.00 0.00 C ATOM 1019 O PRO A 70 -9.484 15.176 3.465 1.00 0.00 O ATOM 1020 CB PRO A 70 -6.861 16.955 3.641 1.00 0.00 C ATOM 1021 CG PRO A 70 -7.484 17.744 2.542 1.00 0.00 C ATOM 1022 CD PRO A 70 -7.318 16.921 1.295 1.00 0.00 C ATOM 0 HA PRO A 70 -6.318 14.816 3.573 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -7.309 17.197 4.605 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.794 17.164 3.723 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -8.538 17.934 2.747 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.000 18.715 2.436 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -8.153 17.059 0.608 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -6.412 17.191 0.753 1.00 0.00 H new ATOM 1030 N GLY A 71 -8.187 14.305 5.084 1.00 0.00 N ATOM 1031 CA GLY A 71 -9.316 13.768 5.821 1.00 0.00 C ATOM 1032 C GLY A 71 -10.078 12.722 5.032 1.00 0.00 C ATOM 1033 O GLY A 71 -11.308 12.744 4.987 1.00 0.00 O ATOM 0 H GLY A 71 -7.276 14.125 5.505 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.962 13.329 6.753 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.991 14.581 6.088 1.00 0.00 H new ATOM 1037 N ARG A 72 -9.346 11.805 4.408 1.00 0.00 N ATOM 1038 CA ARG A 72 -9.961 10.748 3.614 1.00 0.00 C ATOM 1039 C ARG A 72 -9.278 9.408 3.871 1.00 0.00 C ATOM 1040 O ARG A 72 -8.058 9.341 4.026 1.00 0.00 O ATOM 1041 CB ARG A 72 -9.890 11.092 2.125 1.00 0.00 C ATOM 1042 CG ARG A 72 -11.034 10.510 1.311 1.00 0.00 C ATOM 1043 CD ARG A 72 -12.231 11.449 1.282 1.00 0.00 C ATOM 1044 NE ARG A 72 -13.308 10.937 0.439 1.00 0.00 N ATOM 1045 CZ ARG A 72 -13.333 11.069 -0.883 1.00 0.00 C ATOM 1046 NH1 ARG A 72 -12.345 11.693 -1.509 1.00 0.00 N ATOM 1047 NH2 ARG A 72 -14.348 10.575 -1.581 1.00 0.00 N ATOM 0 H ARG A 72 -8.327 11.773 4.437 1.00 0.00 H new ATOM 0 HA ARG A 72 -11.007 10.666 3.911 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.888 12.176 2.011 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.945 10.728 1.721 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -10.696 10.317 0.293 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.332 9.551 1.735 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -12.603 11.594 2.296 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -11.917 12.426 0.915 1.00 0.00 H new ATOM 0 HE ARG A 72 -14.084 10.451 0.890 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -11.563 12.073 -0.976 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -12.367 11.793 -2.524 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -15.110 10.094 -1.103 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -14.367 10.677 -2.596 1.00 0.00 H new ATOM 1061 N ASP A 73 -10.072 8.344 3.914 1.00 0.00 N ATOM 1062 CA ASP A 73 -9.544 7.005 4.152 1.00 0.00 C ATOM 1063 C ASP A 73 -9.314 6.270 2.835 1.00 0.00 C ATOM 1064 O ASP A 73 -10.107 6.387 1.900 1.00 0.00 O ATOM 1065 CB ASP A 73 -10.502 6.205 5.036 1.00 0.00 C ATOM 1066 CG ASP A 73 -9.978 4.818 5.349 1.00 0.00 C ATOM 1067 OD1 ASP A 73 -8.758 4.597 5.201 1.00 0.00 O ATOM 1068 OD2 ASP A 73 -10.789 3.952 5.742 1.00 0.00 O ATOM 0 H ASP A 73 -11.083 8.382 3.787 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.587 7.104 4.664 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -10.670 6.746 5.967 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -11.468 6.122 4.538 1.00 0.00 H new ATOM 1073 N TYR A 74 -8.224 5.514 2.768 1.00 0.00 N ATOM 1074 CA TYR A 74 -7.888 4.763 1.564 1.00 0.00 C ATOM 1075 C TYR A 74 -7.576 3.307 1.900 1.00 0.00 C ATOM 1076 O TYR A 74 -7.341 2.963 3.057 1.00 0.00 O ATOM 1077 CB TYR A 74 -6.692 5.402 0.856 1.00 0.00 C ATOM 1078 CG TYR A 74 -7.048 6.640 0.064 1.00 0.00 C ATOM 1079 CD1 TYR A 74 -7.650 6.541 -1.184 1.00 0.00 C ATOM 1080 CD2 TYR A 74 -6.783 7.908 0.565 1.00 0.00 C ATOM 1081 CE1 TYR A 74 -7.976 7.669 -1.911 1.00 0.00 C ATOM 1082 CE2 TYR A 74 -7.107 9.042 -0.155 1.00 0.00 C ATOM 1083 CZ TYR A 74 -7.703 8.917 -1.393 1.00 0.00 C ATOM 1084 OH TYR A 74 -8.028 10.043 -2.114 1.00 0.00 O ATOM 0 H TYR A 74 -7.558 5.405 3.533 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.751 4.787 0.898 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.937 5.660 1.598 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.243 4.669 0.186 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.867 5.565 -1.593 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.316 8.009 1.533 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.442 7.574 -2.880 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -6.895 10.021 0.249 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.770 10.841 -1.607 1.00 0.00 H new ATOM 1094 N GLU A 75 -7.576 2.458 0.877 1.00 0.00 N ATOM 1095 CA GLU A 75 -7.293 1.040 1.063 1.00 0.00 C ATOM 1096 C GLU A 75 -6.265 0.552 0.046 1.00 0.00 C ATOM 1097 O GLU A 75 -6.528 0.528 -1.157 1.00 0.00 O ATOM 1098 CB GLU A 75 -8.579 0.220 0.937 1.00 0.00 C ATOM 1099 CG GLU A 75 -9.428 0.223 2.198 1.00 0.00 C ATOM 1100 CD GLU A 75 -8.732 -0.438 3.371 1.00 0.00 C ATOM 1101 OE1 GLU A 75 -8.832 -1.677 3.498 1.00 0.00 O ATOM 1102 OE2 GLU A 75 -8.089 0.282 4.163 1.00 0.00 O ATOM 0 H GLU A 75 -7.769 2.727 -0.088 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.881 0.906 2.063 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.171 0.612 0.110 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.321 -0.809 0.685 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.678 1.251 2.461 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.368 -0.293 2.000 1.00 0.00 H new ATOM 1109 N VAL A 76 -5.093 0.164 0.538 1.00 0.00 N ATOM 1110 CA VAL A 76 -4.025 -0.323 -0.326 1.00 0.00 C ATOM 1111 C VAL A 76 -3.598 -1.732 0.070 1.00 0.00 C ATOM 1112 O VAL A 76 -3.136 -1.961 1.187 1.00 0.00 O ATOM 1113 CB VAL A 76 -2.797 0.605 -0.279 1.00 0.00 C ATOM 1114 CG1 VAL A 76 -1.690 0.073 -1.177 1.00 0.00 C ATOM 1115 CG2 VAL A 76 -3.185 2.021 -0.679 1.00 0.00 C ATOM 0 H VAL A 76 -4.859 0.178 1.531 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.421 -0.337 -1.341 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.421 0.630 0.744 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.831 0.742 -1.131 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.395 -0.921 -0.841 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.050 0.016 -2.204 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.306 2.664 -0.640 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.586 2.016 -1.692 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.941 2.399 0.009 1.00 0.00 H new ATOM 1125 N SER A 77 -3.755 -2.674 -0.855 1.00 0.00 N ATOM 1126 CA SER A 77 -3.389 -4.063 -0.602 1.00 0.00 C ATOM 1127 C SER A 77 -2.114 -4.434 -1.353 1.00 0.00 C ATOM 1128 O SER A 77 -2.026 -4.269 -2.569 1.00 0.00 O ATOM 1129 CB SER A 77 -4.528 -4.996 -1.016 1.00 0.00 C ATOM 1130 OG SER A 77 -5.068 -4.617 -2.270 1.00 0.00 O ATOM 0 H SER A 77 -4.133 -2.501 -1.786 1.00 0.00 H new ATOM 0 HA SER A 77 -3.207 -4.176 0.467 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.161 -6.021 -1.069 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.311 -4.977 -0.258 1.00 0.00 H new ATOM 0 HG SER A 77 -5.793 -5.230 -2.513 1.00 0.00 H new ATOM 1136 N VAL A 78 -1.127 -4.936 -0.617 1.00 0.00 N ATOM 1137 CA VAL A 78 0.144 -5.332 -1.212 1.00 0.00 C ATOM 1138 C VAL A 78 0.261 -6.850 -1.300 1.00 0.00 C ATOM 1139 O VAL A 78 0.065 -7.555 -0.310 1.00 0.00 O ATOM 1140 CB VAL A 78 1.336 -4.782 -0.406 1.00 0.00 C ATOM 1141 CG1 VAL A 78 2.651 -5.239 -1.019 1.00 0.00 C ATOM 1142 CG2 VAL A 78 1.273 -3.264 -0.331 1.00 0.00 C ATOM 0 H VAL A 78 -1.183 -5.078 0.392 1.00 0.00 H new ATOM 0 HA VAL A 78 0.168 -4.910 -2.217 1.00 0.00 H new ATOM 0 HB VAL A 78 1.279 -5.176 0.609 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.482 -4.841 -0.436 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.695 -6.328 -1.016 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.720 -4.876 -2.044 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.123 -2.892 0.242 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.305 -2.848 -1.338 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.346 -2.962 0.157 1.00 0.00 H new ATOM 1152 N GLN A 79 0.581 -7.345 -2.491 1.00 0.00 N ATOM 1153 CA GLN A 79 0.724 -8.780 -2.707 1.00 0.00 C ATOM 1154 C GLN A 79 2.044 -9.097 -3.402 1.00 0.00 C ATOM 1155 O GLN A 79 2.265 -8.701 -4.547 1.00 0.00 O ATOM 1156 CB GLN A 79 -0.445 -9.310 -3.540 1.00 0.00 C ATOM 1157 CG GLN A 79 -0.228 -10.720 -4.065 1.00 0.00 C ATOM 1158 CD GLN A 79 -1.526 -11.477 -4.258 1.00 0.00 C ATOM 1159 OE1 GLN A 79 -2.527 -11.195 -3.599 1.00 0.00 O ATOM 1160 NE2 GLN A 79 -1.518 -12.447 -5.166 1.00 0.00 N ATOM 0 H GLN A 79 0.746 -6.775 -3.320 1.00 0.00 H new ATOM 0 HA GLN A 79 0.720 -9.271 -1.734 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -1.350 -9.293 -2.933 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.613 -8.639 -4.383 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.305 -10.672 -5.015 1.00 0.00 H new ATOM 0 HG3 GLN A 79 0.408 -11.268 -3.370 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.666 -12.648 -5.690 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.363 -12.991 -5.339 1.00 0.00 H new ATOM 1169 N SER A 80 2.918 -9.814 -2.703 1.00 0.00 N ATOM 1170 CA SER A 80 4.218 -10.181 -3.251 1.00 0.00 C ATOM 1171 C SER A 80 4.058 -11.081 -4.472 1.00 0.00 C ATOM 1172 O SER A 80 3.464 -12.157 -4.392 1.00 0.00 O ATOM 1173 CB SER A 80 5.062 -10.888 -2.189 1.00 0.00 C ATOM 1174 OG SER A 80 5.184 -10.093 -1.022 1.00 0.00 O ATOM 0 H SER A 80 2.749 -10.152 -1.756 1.00 0.00 H new ATOM 0 HA SER A 80 4.726 -9.267 -3.559 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.606 -11.845 -1.935 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.052 -11.104 -2.591 1.00 0.00 H new ATOM 0 HG SER A 80 5.983 -10.364 -0.523 1.00 0.00 H new ATOM 1180 N LEU A 81 4.593 -10.633 -5.603 1.00 0.00 N ATOM 1181 CA LEU A 81 4.510 -11.397 -6.843 1.00 0.00 C ATOM 1182 C LEU A 81 5.874 -11.964 -7.225 1.00 0.00 C ATOM 1183 O LEU A 81 6.818 -11.217 -7.482 1.00 0.00 O ATOM 1184 CB LEU A 81 3.977 -10.516 -7.974 1.00 0.00 C ATOM 1185 CG LEU A 81 2.509 -10.100 -7.866 1.00 0.00 C ATOM 1186 CD1 LEU A 81 2.115 -9.224 -9.044 1.00 0.00 C ATOM 1187 CD2 LEU A 81 1.612 -11.327 -7.787 1.00 0.00 C ATOM 0 H LEU A 81 5.088 -9.745 -5.687 1.00 0.00 H new ATOM 0 HA LEU A 81 3.823 -12.228 -6.683 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.587 -9.614 -8.023 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.115 -11.046 -8.916 1.00 0.00 H new ATOM 0 HG LEU A 81 2.381 -9.522 -6.951 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.067 -8.938 -8.950 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.736 -8.328 -9.055 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.258 -9.777 -9.972 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.571 -11.012 -7.711 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.743 -11.932 -8.684 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.878 -11.916 -6.910 1.00 0.00 H new ATOM 1199 N ARG A 82 5.969 -13.289 -7.263 1.00 0.00 N ATOM 1200 CA ARG A 82 7.216 -13.956 -7.615 1.00 0.00 C ATOM 1201 C ARG A 82 7.219 -14.365 -9.085 1.00 0.00 C ATOM 1202 O ARG A 82 8.264 -14.384 -9.733 1.00 0.00 O ATOM 1203 CB ARG A 82 7.427 -15.188 -6.732 1.00 0.00 C ATOM 1204 CG ARG A 82 8.609 -16.045 -7.155 1.00 0.00 C ATOM 1205 CD ARG A 82 9.902 -15.566 -6.514 1.00 0.00 C ATOM 1206 NE ARG A 82 10.008 -15.982 -5.118 1.00 0.00 N ATOM 1207 CZ ARG A 82 10.288 -17.224 -4.740 1.00 0.00 C ATOM 1208 NH1 ARG A 82 10.491 -18.167 -5.649 1.00 0.00 N ATOM 1209 NH2 ARG A 82 10.367 -17.524 -3.450 1.00 0.00 N ATOM 0 H ARG A 82 5.197 -13.922 -7.054 1.00 0.00 H new ATOM 0 HA ARG A 82 8.033 -13.254 -7.450 1.00 0.00 H new ATOM 0 HB2 ARG A 82 7.574 -14.865 -5.701 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.523 -15.797 -6.750 1.00 0.00 H new ATOM 0 HG2 ARG A 82 8.426 -17.083 -6.876 1.00 0.00 H new ATOM 0 HG3 ARG A 82 8.708 -16.020 -8.240 1.00 0.00 H new ATOM 0 HD2 ARG A 82 10.751 -15.958 -7.074 1.00 0.00 H new ATOM 0 HD3 ARG A 82 9.955 -14.479 -6.573 1.00 0.00 H new ATOM 0 HE ARG A 82 9.859 -15.280 -4.393 1.00 0.00 H new ATOM 0 HH11 ARG A 82 10.432 -17.940 -6.642 1.00 0.00 H new ATOM 0 HH12 ARG A 82 10.706 -19.120 -5.356 1.00 0.00 H new ATOM 0 HH21 ARG A 82 10.213 -16.801 -2.748 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.582 -18.478 -3.161 1.00 0.00 H new ATOM 1223 N GLY A 83 6.040 -14.691 -9.605 1.00 0.00 N ATOM 1224 CA GLY A 83 5.928 -15.096 -10.995 1.00 0.00 C ATOM 1225 C GLY A 83 4.512 -15.480 -11.375 1.00 0.00 C ATOM 1226 O GLY A 83 3.679 -14.630 -11.690 1.00 0.00 O ATOM 0 H GLY A 83 5.160 -14.682 -9.089 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.264 -14.281 -11.636 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.592 -15.941 -11.179 1.00 0.00 H new ATOM 1230 N PRO A 84 4.223 -16.789 -11.350 1.00 0.00 N ATOM 1231 CA PRO A 84 2.898 -17.314 -11.693 1.00 0.00 C ATOM 1232 C PRO A 84 1.846 -16.962 -10.647 1.00 0.00 C ATOM 1233 O PRO A 84 0.735 -16.556 -10.984 1.00 0.00 O ATOM 1234 CB PRO A 84 3.118 -18.828 -11.742 1.00 0.00 C ATOM 1235 CG PRO A 84 4.287 -19.070 -10.851 1.00 0.00 C ATOM 1236 CD PRO A 84 5.167 -17.858 -10.985 1.00 0.00 C ATOM 0 HA PRO A 84 2.522 -16.894 -12.626 1.00 0.00 H new ATOM 0 HB2 PRO A 84 2.237 -19.367 -11.394 1.00 0.00 H new ATOM 0 HB3 PRO A 84 3.318 -19.166 -12.759 1.00 0.00 H new ATOM 0 HG2 PRO A 84 3.968 -19.209 -9.818 1.00 0.00 H new ATOM 0 HG3 PRO A 84 4.821 -19.974 -11.144 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.687 -17.634 -10.054 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.930 -17.998 -11.750 1.00 0.00 H new ATOM 1244 N GLU A 85 2.205 -17.121 -9.377 1.00 0.00 N ATOM 1245 CA GLU A 85 1.290 -16.820 -8.282 1.00 0.00 C ATOM 1246 C GLU A 85 1.941 -15.877 -7.274 1.00 0.00 C ATOM 1247 O GLU A 85 3.159 -15.875 -7.106 1.00 0.00 O ATOM 1248 CB GLU A 85 0.854 -18.109 -7.583 1.00 0.00 C ATOM 1249 CG GLU A 85 1.940 -18.733 -6.723 1.00 0.00 C ATOM 1250 CD GLU A 85 2.786 -19.733 -7.486 1.00 0.00 C ATOM 1251 OE1 GLU A 85 2.208 -20.649 -8.107 1.00 0.00 O ATOM 1252 OE2 GLU A 85 4.028 -19.598 -7.463 1.00 0.00 O ATOM 0 H GLU A 85 3.122 -17.456 -9.081 1.00 0.00 H new ATOM 0 HA GLU A 85 0.412 -16.328 -8.701 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.015 -17.898 -6.960 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.538 -18.832 -8.336 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.582 -17.946 -6.328 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.481 -19.229 -5.868 1.00 0.00 H new ATOM 1259 N GLY A 86 1.117 -15.076 -6.604 1.00 0.00 N ATOM 1260 CA GLY A 86 1.629 -14.139 -5.621 1.00 0.00 C ATOM 1261 C GLY A 86 1.294 -14.548 -4.201 1.00 0.00 C ATOM 1262 O GLY A 86 0.761 -15.633 -3.969 1.00 0.00 O ATOM 0 H GLY A 86 0.104 -15.060 -6.725 1.00 0.00 H new ATOM 0 HA2 GLY A 86 2.711 -14.060 -5.728 1.00 0.00 H new ATOM 0 HA3 GLY A 86 1.217 -13.149 -5.818 1.00 0.00 H new ATOM 1266 N SER A 87 1.608 -13.678 -3.246 1.00 0.00 N ATOM 1267 CA SER A 87 1.342 -13.957 -1.840 1.00 0.00 C ATOM 1268 C SER A 87 -0.059 -13.498 -1.451 1.00 0.00 C ATOM 1269 O SER A 87 -0.756 -12.859 -2.239 1.00 0.00 O ATOM 1270 CB SER A 87 2.382 -13.265 -0.956 1.00 0.00 C ATOM 1271 OG SER A 87 2.315 -11.857 -1.097 1.00 0.00 O ATOM 0 H SER A 87 2.047 -12.774 -3.421 1.00 0.00 H new ATOM 0 HA SER A 87 1.407 -15.035 -1.690 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.217 -13.538 0.086 1.00 0.00 H new ATOM 0 HB3 SER A 87 3.380 -13.613 -1.222 1.00 0.00 H new ATOM 0 HG SER A 87 2.955 -11.436 -0.486 1.00 0.00 H new ATOM 1277 N GLU A 88 -0.466 -13.829 -0.229 1.00 0.00 N ATOM 1278 CA GLU A 88 -1.785 -13.452 0.264 1.00 0.00 C ATOM 1279 C GLU A 88 -1.969 -11.938 0.225 1.00 0.00 C ATOM 1280 O GLU A 88 -1.006 -11.190 0.058 1.00 0.00 O ATOM 1281 CB GLU A 88 -1.985 -13.964 1.692 1.00 0.00 C ATOM 1282 CG GLU A 88 -2.528 -15.381 1.761 1.00 0.00 C ATOM 1283 CD GLU A 88 -1.818 -16.324 0.809 1.00 0.00 C ATOM 1284 OE1 GLU A 88 -2.120 -16.284 -0.402 1.00 0.00 O ATOM 1285 OE2 GLU A 88 -0.960 -17.102 1.275 1.00 0.00 O ATOM 0 H GLU A 88 0.099 -14.357 0.437 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.531 -13.908 -0.386 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.032 -13.923 2.220 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.669 -13.296 2.216 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.428 -15.755 2.780 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.593 -15.370 1.529 1.00 0.00 H new ATOM 1292 N ALA A 89 -3.212 -11.494 0.378 1.00 0.00 N ATOM 1293 CA ALA A 89 -3.522 -10.070 0.361 1.00 0.00 C ATOM 1294 C ALA A 89 -3.301 -9.443 1.734 1.00 0.00 C ATOM 1295 O ALA A 89 -3.946 -9.824 2.711 1.00 0.00 O ATOM 1296 CB ALA A 89 -4.956 -9.847 -0.099 1.00 0.00 C ATOM 0 H ALA A 89 -4.021 -12.100 0.515 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.846 -9.585 -0.344 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.174 -8.779 -0.107 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.083 -10.251 -1.104 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.640 -10.352 0.584 1.00 0.00 H new ATOM 1302 N ARG A 90 -2.386 -8.483 1.800 1.00 0.00 N ATOM 1303 CA ARG A 90 -2.079 -7.805 3.054 1.00 0.00 C ATOM 1304 C ARG A 90 -2.102 -6.290 2.874 1.00 0.00 C ATOM 1305 O ARG A 90 -1.128 -5.694 2.416 1.00 0.00 O ATOM 1306 CB ARG A 90 -0.710 -8.247 3.575 1.00 0.00 C ATOM 1307 CG ARG A 90 -0.666 -9.700 4.017 1.00 0.00 C ATOM 1308 CD ARG A 90 -1.374 -9.900 5.347 1.00 0.00 C ATOM 1309 NE ARG A 90 -0.611 -9.347 6.462 1.00 0.00 N ATOM 1310 CZ ARG A 90 -1.111 -9.173 7.681 1.00 0.00 C ATOM 1311 NH1 ARG A 90 -2.367 -9.508 7.939 1.00 0.00 N ATOM 1312 NH2 ARG A 90 -0.353 -8.664 8.644 1.00 0.00 N ATOM 0 H ARG A 90 -1.844 -8.156 1.000 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.843 -8.078 3.782 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.034 -8.091 2.794 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.428 -7.612 4.415 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -1.133 -10.327 3.257 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.371 -10.024 4.104 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.355 -9.427 5.310 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.539 -10.965 5.513 1.00 0.00 H new ATOM 0 HE ARG A 90 0.359 -9.079 6.296 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -2.952 -9.900 7.201 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -2.749 -9.374 8.875 1.00 0.00 H new ATOM 0 HH21 ARG A 90 0.614 -8.406 8.449 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -0.738 -8.531 9.579 1.00 0.00 H new ATOM 1326 N GLY A 91 -3.223 -5.673 3.236 1.00 0.00 N ATOM 1327 CA GLY A 91 -3.352 -4.234 3.106 1.00 0.00 C ATOM 1328 C GLY A 91 -3.380 -3.530 4.448 1.00 0.00 C ATOM 1329 O GLY A 91 -3.646 -4.153 5.477 1.00 0.00 O ATOM 0 H GLY A 91 -4.044 -6.144 3.617 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.520 -3.850 2.515 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.266 -4.002 2.559 1.00 0.00 H new ATOM 1333 N ILE A 92 -3.104 -2.231 4.440 1.00 0.00 N ATOM 1334 CA ILE A 92 -3.098 -1.443 5.666 1.00 0.00 C ATOM 1335 C ILE A 92 -4.153 -0.343 5.617 1.00 0.00 C ATOM 1336 O ILE A 92 -4.473 0.177 4.548 1.00 0.00 O ATOM 1337 CB ILE A 92 -1.719 -0.806 5.920 1.00 0.00 C ATOM 1338 CG1 ILE A 92 -1.761 0.072 7.172 1.00 0.00 C ATOM 1339 CG2 ILE A 92 -1.280 0.006 4.711 1.00 0.00 C ATOM 1340 CD1 ILE A 92 -0.392 0.454 7.688 1.00 0.00 C ATOM 0 H ILE A 92 -2.881 -1.701 3.597 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.328 -2.128 6.482 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.992 -1.602 6.082 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.323 0.979 6.951 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.302 -0.455 7.958 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.304 0.450 4.906 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.215 -0.645 3.839 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.006 0.796 4.520 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.499 1.076 8.577 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.166 -0.447 7.941 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.145 1.009 6.919 1.00 0.00 H new ATOM 1352 N ARG A 93 -4.687 0.009 6.782 1.00 0.00 N ATOM 1353 CA ARG A 93 -5.705 1.049 6.873 1.00 0.00 C ATOM 1354 C ARG A 93 -5.080 2.435 6.744 1.00 0.00 C ATOM 1355 O ARG A 93 -4.518 2.965 7.702 1.00 0.00 O ATOM 1356 CB ARG A 93 -6.459 0.940 8.200 1.00 0.00 C ATOM 1357 CG ARG A 93 -7.871 1.499 8.145 1.00 0.00 C ATOM 1358 CD ARG A 93 -7.866 3.015 8.035 1.00 0.00 C ATOM 1359 NE ARG A 93 -9.132 3.600 8.471 1.00 0.00 N ATOM 1360 CZ ARG A 93 -9.530 3.629 9.738 1.00 0.00 C ATOM 1361 NH1 ARG A 93 -8.766 3.109 10.688 1.00 0.00 N ATOM 1362 NH2 ARG A 93 -10.695 4.179 10.056 1.00 0.00 N ATOM 0 H ARG A 93 -4.432 -0.411 7.676 1.00 0.00 H new ATOM 0 HA ARG A 93 -6.407 0.908 6.051 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -6.503 -0.107 8.498 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -5.898 1.468 8.971 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -8.399 1.073 7.292 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -8.417 1.200 9.040 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -7.053 3.419 8.638 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -7.670 3.303 7.002 1.00 0.00 H new ATOM 0 HE ARG A 93 -9.743 4.008 7.764 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -7.870 2.685 10.447 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -9.074 3.133 11.660 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -11.286 4.580 9.327 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -11.000 4.201 11.029 1.00 0.00 H new ATOM 1376 N ALA A 94 -5.181 3.015 5.552 1.00 0.00 N ATOM 1377 CA ALA A 94 -4.627 4.339 5.298 1.00 0.00 C ATOM 1378 C ALA A 94 -5.441 5.419 6.003 1.00 0.00 C ATOM 1379 O ALA A 94 -6.563 5.174 6.446 1.00 0.00 O ATOM 1380 CB ALA A 94 -4.572 4.609 3.802 1.00 0.00 C ATOM 0 H ALA A 94 -5.641 2.589 4.748 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.614 4.365 5.699 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -4.156 5.601 3.626 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.942 3.861 3.320 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.578 4.558 3.386 1.00 0.00 H new ATOM 1386 N ARG A 95 -4.869 6.614 6.103 1.00 0.00 N ATOM 1387 CA ARG A 95 -5.541 7.731 6.755 1.00 0.00 C ATOM 1388 C ARG A 95 -4.723 9.012 6.619 1.00 0.00 C ATOM 1389 O ARG A 95 -3.492 8.985 6.663 1.00 0.00 O ATOM 1390 CB ARG A 95 -5.776 7.419 8.234 1.00 0.00 C ATOM 1391 CG ARG A 95 -5.803 8.653 9.121 1.00 0.00 C ATOM 1392 CD ARG A 95 -4.414 9.000 9.633 1.00 0.00 C ATOM 1393 NE ARG A 95 -3.692 7.820 10.101 1.00 0.00 N ATOM 1394 CZ ARG A 95 -3.929 7.226 11.265 1.00 0.00 C ATOM 1395 NH1 ARG A 95 -4.865 7.700 12.076 1.00 0.00 N ATOM 1396 NH2 ARG A 95 -3.229 6.156 11.620 1.00 0.00 N ATOM 0 H ARG A 95 -3.941 6.834 5.741 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.503 7.880 6.264 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -6.721 6.886 8.338 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -4.992 6.748 8.584 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -6.207 9.496 8.561 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -6.471 8.481 9.965 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -3.845 9.482 8.838 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -4.497 9.720 10.447 1.00 0.00 H new ATOM 0 HE ARG A 95 -2.965 7.430 9.501 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -5.405 8.522 11.806 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -5.045 7.242 12.969 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -2.508 5.789 10.999 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -3.412 5.701 12.514 1.00 0.00 H new ATOM 1410 N THR A 96 -5.415 10.135 6.453 1.00 0.00 N ATOM 1411 CA THR A 96 -4.754 11.426 6.309 1.00 0.00 C ATOM 1412 C THR A 96 -5.476 12.506 7.106 1.00 0.00 C ATOM 1413 O THR A 96 -6.705 12.543 7.176 1.00 0.00 O ATOM 1414 CB THR A 96 -4.680 11.857 4.832 1.00 0.00 C ATOM 1415 OG1 THR A 96 -5.994 11.889 4.264 1.00 0.00 O ATOM 1416 CG2 THR A 96 -3.800 10.907 4.034 1.00 0.00 C ATOM 0 H THR A 96 -6.433 10.176 6.415 1.00 0.00 H new ATOM 0 HA THR A 96 -3.742 11.308 6.697 1.00 0.00 H new ATOM 0 HB THR A 96 -4.242 12.854 4.790 1.00 0.00 H new ATOM 0 HG1 THR A 96 -5.938 12.165 3.325 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.763 11.232 2.994 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.793 10.908 4.450 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.213 9.899 4.085 1.00 0.00 H new ATOM 1424 N PRO A 97 -4.698 13.408 7.722 1.00 0.00 N ATOM 1425 CA PRO A 97 -5.243 14.507 8.525 1.00 0.00 C ATOM 1426 C PRO A 97 -5.949 15.554 7.671 1.00 0.00 C ATOM 1427 O PRO A 97 -6.133 15.369 6.467 1.00 0.00 O ATOM 1428 CB PRO A 97 -4.003 15.108 9.191 1.00 0.00 C ATOM 1429 CG PRO A 97 -2.877 14.760 8.280 1.00 0.00 C ATOM 1430 CD PRO A 97 -3.226 13.425 7.681 1.00 0.00 C ATOM 0 HA PRO A 97 -5.998 14.161 9.231 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -4.100 16.188 9.306 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -3.849 14.694 10.187 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -2.755 15.516 7.504 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -1.935 14.708 8.826 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -2.851 13.331 6.662 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -2.798 12.603 8.255 1.00 0.00 H new ATOM 1438 N THR A 98 -6.344 16.656 8.300 1.00 0.00 N ATOM 1439 CA THR A 98 -7.031 17.733 7.598 1.00 0.00 C ATOM 1440 C THR A 98 -6.338 19.071 7.830 1.00 0.00 C ATOM 1441 O THR A 98 -6.350 19.603 8.940 1.00 0.00 O ATOM 1442 CB THR A 98 -8.501 17.846 8.043 1.00 0.00 C ATOM 1443 OG1 THR A 98 -8.570 18.077 9.455 1.00 0.00 O ATOM 1444 CG2 THR A 98 -9.271 16.581 7.694 1.00 0.00 C ATOM 0 H THR A 98 -6.200 16.826 9.295 1.00 0.00 H new ATOM 0 HA THR A 98 -6.998 17.489 6.536 1.00 0.00 H new ATOM 0 HB THR A 98 -8.953 18.686 7.515 1.00 0.00 H new ATOM 0 HG1 THR A 98 -7.907 18.753 9.709 1.00 0.00 H new ATOM 0 HG21 THR A 98 -10.307 16.684 8.018 1.00 0.00 H new ATOM 0 HG22 THR A 98 -9.242 16.423 6.616 1.00 0.00 H new ATOM 0 HG23 THR A 98 -8.817 15.728 8.198 1.00 0.00 H new ATOM 1452 N SER A 99 -5.734 19.610 6.776 1.00 0.00 N ATOM 1453 CA SER A 99 -5.033 20.885 6.866 1.00 0.00 C ATOM 1454 C SER A 99 -5.750 21.959 6.053 1.00 0.00 C ATOM 1455 O SER A 99 -5.768 21.914 4.824 1.00 0.00 O ATOM 1456 CB SER A 99 -3.592 20.735 6.374 1.00 0.00 C ATOM 1457 OG SER A 99 -2.838 21.906 6.637 1.00 0.00 O ATOM 0 H SER A 99 -5.716 19.183 5.850 1.00 0.00 H new ATOM 0 HA SER A 99 -5.023 21.192 7.912 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.125 19.880 6.863 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.590 20.530 5.303 1.00 0.00 H new ATOM 0 HG SER A 99 -1.921 21.784 6.315 1.00 0.00 H new ATOM 1463 N GLY A 100 -6.342 22.924 6.751 1.00 0.00 N ATOM 1464 CA GLY A 100 -7.053 23.996 6.078 1.00 0.00 C ATOM 1465 C GLY A 100 -7.985 24.746 7.009 1.00 0.00 C ATOM 1466 O GLY A 100 -8.061 24.466 8.205 1.00 0.00 O ATOM 0 H GLY A 100 -6.342 22.983 7.769 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -6.333 24.693 5.650 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -7.627 23.583 5.249 1.00 0.00 H new ATOM 1470 N PRO A 101 -8.716 25.726 6.457 1.00 0.00 N ATOM 1471 CA PRO A 101 -9.660 26.540 7.228 1.00 0.00 C ATOM 1472 C PRO A 101 -10.883 25.744 7.672 1.00 0.00 C ATOM 1473 O PRO A 101 -11.828 25.560 6.905 1.00 0.00 O ATOM 1474 CB PRO A 101 -10.066 27.640 6.244 1.00 0.00 C ATOM 1475 CG PRO A 101 -9.854 27.041 4.897 1.00 0.00 C ATOM 1476 CD PRO A 101 -8.677 26.114 5.037 1.00 0.00 C ATOM 0 HA PRO A 101 -9.216 26.916 8.150 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -11.106 27.935 6.387 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -9.459 28.535 6.379 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -10.740 26.499 4.567 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -9.657 27.813 4.153 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -8.767 25.248 4.381 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -7.741 26.611 4.782 1.00 0.00 H new ATOM 1484 N SER A 102 -10.858 25.274 8.915 1.00 0.00 N ATOM 1485 CA SER A 102 -11.964 24.495 9.460 1.00 0.00 C ATOM 1486 C SER A 102 -13.276 25.267 9.354 1.00 0.00 C ATOM 1487 O SER A 102 -13.417 26.354 9.914 1.00 0.00 O ATOM 1488 CB SER A 102 -11.689 24.132 10.921 1.00 0.00 C ATOM 1489 OG SER A 102 -11.875 25.253 11.768 1.00 0.00 O ATOM 0 H SER A 102 -10.084 25.419 9.564 1.00 0.00 H new ATOM 0 HA SER A 102 -12.053 23.579 8.876 1.00 0.00 H new ATOM 0 HB2 SER A 102 -12.353 23.325 11.230 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.669 23.762 11.021 1.00 0.00 H new ATOM 0 HG SER A 102 -12.609 25.804 11.424 1.00 0.00 H new ATOM 1495 N SER A 103 -14.235 24.696 8.632 1.00 0.00 N ATOM 1496 CA SER A 103 -15.535 25.330 8.449 1.00 0.00 C ATOM 1497 C SER A 103 -16.665 24.357 8.769 1.00 0.00 C ATOM 1498 O SER A 103 -16.744 23.270 8.197 1.00 0.00 O ATOM 1499 CB SER A 103 -15.678 25.842 7.014 1.00 0.00 C ATOM 1500 OG SER A 103 -14.598 26.689 6.664 1.00 0.00 O ATOM 0 H SER A 103 -14.136 23.795 8.164 1.00 0.00 H new ATOM 0 HA SER A 103 -15.600 26.173 9.137 1.00 0.00 H new ATOM 0 HB2 SER A 103 -15.720 24.998 6.326 1.00 0.00 H new ATOM 0 HB3 SER A 103 -16.618 26.384 6.910 1.00 0.00 H new ATOM 0 HG SER A 103 -13.767 26.170 6.647 1.00 0.00 H new ATOM 1506 N GLY A 104 -17.538 24.755 9.690 1.00 0.00 N ATOM 1507 CA GLY A 104 -18.652 23.907 10.071 1.00 0.00 C ATOM 1508 C GLY A 104 -19.922 24.696 10.319 1.00 0.00 C ATOM 1509 O GLY A 104 -21.025 24.194 10.100 1.00 0.00 O ATOM 0 H GLY A 104 -17.493 25.649 10.179 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -18.831 23.173 9.285 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -18.391 23.352 10.972 1.00 0.00 H new TER 1513 GLY A 104