USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 733 hydrogens (12 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 14 LYS NZ :NH3+ -159:sc= 1.65 (180deg=0.0345) USER MOD Set 1.2: A 82 THR OG1 : rot -66:sc= 2.03 USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.187 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.0182 X(o=-0.018,f=-0.025) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc=-0.00261 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot -149:sc= -0.0783 USER MOD Single : A 30 SER OG : rot 180:sc= 0.00455 USER MOD Single : A 33 HIS : no HE2:sc= 0.395 K(o=0.39,f=-2.2!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 148:sc= 0.179 (180deg=0.0057) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 49 SER OG : rot 73:sc= 0.534 USER MOD Single : A 54 HIS : no HE2:sc= 0.377 K(o=0.38,f=-6.2!) USER MOD Single : A 55 LYS NZ :NH3+ -176:sc= 0.0452 (180deg=0.016) USER MOD Single : A 63 ASN : amide:sc= 0.842 K(o=0.84,f=-7.2!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0941 USER MOD Single : A 72 HIS : no HD1:sc= -0.0911 X(o=-0.091,f=-0.25) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.44 X(o=-0.44,f=-0.14) USER MOD Single : A 78 THR OG1 : rot 52:sc= 1.23 USER MOD Single : A 81 ASN : amide:sc= -0.46 X(o=-0.46,f=-0.68) USER MOD Single : A 84 GLN : amide:sc= -0.0397 X(o=-0.04,f=0) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 92 LYS NZ :NH3+ -146:sc= 0.912 (180deg=0.399!) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 65:sc= 1.18 USER MOD Single : A 101 33B O62 : rot -80:sc= 1.02 USER MOD Single : A 101 33B O72 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.599 0.492 -13.543 1.00 2.30 N ATOM 2 CA GLY A 1 -11.974 0.767 -12.250 1.00 72.44 C ATOM 3 C GLY A 1 -11.195 -0.429 -11.843 1.00 32.51 C ATOM 4 O GLY A 1 -11.099 -1.416 -12.586 1.00 70.02 O ATOM 0 H1 GLY A 1 -12.332 1.233 -14.222 1.00 2.30 H new ATOM 0 H2 GLY A 1 -12.277 -0.432 -13.895 1.00 2.30 H new ATOM 0 H3 GLY A 1 -13.633 0.480 -13.433 1.00 2.30 H new ATOM 0 HA2 GLY A 1 -11.322 1.638 -12.321 1.00 72.44 H new ATOM 0 HA3 GLY A 1 -12.733 0.997 -11.503 1.00 72.44 H new ATOM 10 N PRO A 2 -10.606 -0.352 -10.651 1.00 15.50 N ATOM 11 CA PRO A 2 -9.817 -1.434 -10.091 1.00 4.21 C ATOM 12 C PRO A 2 -10.747 -2.603 -9.793 1.00 14.31 C ATOM 13 O PRO A 2 -11.449 -2.570 -8.781 1.00 41.42 O ATOM 14 CB PRO A 2 -9.202 -0.832 -8.807 1.00 50.53 C ATOM 15 CG PRO A 2 -10.165 0.313 -8.413 1.00 52.20 C ATOM 16 CD PRO A 2 -10.690 0.816 -9.765 1.00 20.31 C ATOM 0 HA PRO A 2 -9.037 -1.813 -10.752 1.00 4.21 H new ATOM 0 HB2 PRO A 2 -9.128 -1.578 -8.016 1.00 50.53 H new ATOM 0 HB3 PRO A 2 -8.194 -0.458 -8.988 1.00 50.53 H new ATOM 0 HG2 PRO A 2 -10.974 -0.044 -7.775 1.00 52.20 H new ATOM 0 HG3 PRO A 2 -9.649 1.101 -7.864 1.00 52.20 H new ATOM 0 HD2 PRO A 2 -11.715 1.179 -9.683 1.00 20.31 H new ATOM 0 HD3 PRO A 2 -10.088 1.643 -10.141 1.00 20.31 H new ATOM 24 N LYS A 3 -10.751 -3.629 -10.662 1.00 64.35 N ATOM 25 CA LYS A 3 -11.618 -4.782 -10.489 1.00 54.01 C ATOM 26 C LYS A 3 -10.927 -5.673 -9.471 1.00 71.12 C ATOM 27 O LYS A 3 -9.743 -5.517 -9.222 1.00 62.10 O ATOM 28 CB LYS A 3 -11.776 -5.571 -11.818 1.00 32.13 C ATOM 29 CG LYS A 3 -12.394 -4.732 -12.942 1.00 51.15 C ATOM 30 CD LYS A 3 -12.377 -5.442 -14.291 1.00 20.13 C ATOM 31 CE LYS A 3 -12.902 -4.568 -15.444 1.00 1.13 C ATOM 32 NZ LYS A 3 -12.772 -5.279 -16.728 1.00 21.44 N ATOM 0 H LYS A 3 -10.157 -3.672 -11.490 1.00 64.35 H new ATOM 0 HA LYS A 3 -12.612 -4.467 -10.171 1.00 54.01 H new ATOM 0 HB2 LYS A 3 -10.799 -5.933 -12.138 1.00 32.13 H new ATOM 0 HB3 LYS A 3 -12.399 -6.448 -11.642 1.00 32.13 H new ATOM 0 HG2 LYS A 3 -13.423 -4.485 -12.680 1.00 51.15 H new ATOM 0 HG3 LYS A 3 -11.851 -3.790 -13.026 1.00 51.15 H new ATOM 0 HD2 LYS A 3 -11.358 -5.755 -14.516 1.00 20.13 H new ATOM 0 HD3 LYS A 3 -12.981 -6.347 -14.226 1.00 20.13 H new ATOM 0 HE2 LYS A 3 -13.946 -4.311 -15.267 1.00 1.13 H new ATOM 0 HE3 LYS A 3 -12.345 -3.632 -15.482 1.00 1.13 H new ATOM 0 HZ1 LYS A 3 -13.130 -4.677 -17.496 1.00 21.44 H new ATOM 0 HZ2 LYS A 3 -11.771 -5.502 -16.901 1.00 21.44 H new ATOM 0 HZ3 LYS A 3 -13.323 -6.161 -16.694 1.00 21.44 H new ATOM 46 N PRO A 4 -11.674 -6.599 -8.841 1.00 0.30 N ATOM 47 CA PRO A 4 -11.114 -7.507 -7.847 1.00 53.21 C ATOM 48 C PRO A 4 -10.042 -8.379 -8.489 1.00 73.33 C ATOM 49 O PRO A 4 -10.359 -9.180 -9.370 1.00 11.44 O ATOM 50 CB PRO A 4 -12.316 -8.334 -7.336 1.00 11.10 C ATOM 51 CG PRO A 4 -13.385 -8.192 -8.446 1.00 72.44 C ATOM 52 CD PRO A 4 -13.116 -6.794 -9.027 1.00 74.23 C ATOM 0 HA PRO A 4 -10.625 -6.989 -7.022 1.00 53.21 H new ATOM 0 HB2 PRO A 4 -12.042 -9.377 -7.180 1.00 11.10 H new ATOM 0 HB3 PRO A 4 -12.682 -7.954 -6.382 1.00 11.10 H new ATOM 0 HG2 PRO A 4 -13.282 -8.968 -9.204 1.00 72.44 H new ATOM 0 HG3 PRO A 4 -14.395 -8.272 -8.043 1.00 72.44 H new ATOM 0 HD2 PRO A 4 -13.393 -6.740 -10.080 1.00 74.23 H new ATOM 0 HD3 PRO A 4 -13.692 -6.029 -8.507 1.00 74.23 H new ATOM 60 N GLY A 5 -8.784 -8.228 -8.042 1.00 62.35 N ATOM 61 CA GLY A 5 -7.695 -9.055 -8.545 1.00 33.13 C ATOM 62 C GLY A 5 -7.061 -8.347 -9.706 1.00 31.24 C ATOM 63 O GLY A 5 -6.288 -8.937 -10.466 1.00 20.11 O ATOM 0 H GLY A 5 -8.506 -7.544 -7.338 1.00 62.35 H new ATOM 0 HA2 GLY A 5 -6.959 -9.232 -7.761 1.00 33.13 H new ATOM 0 HA3 GLY A 5 -8.071 -10.030 -8.855 1.00 33.13 H new ATOM 67 N ASP A 6 -7.394 -7.055 -9.879 1.00 34.24 N ATOM 68 CA ASP A 6 -6.825 -6.282 -10.958 1.00 44.22 C ATOM 69 C ASP A 6 -5.648 -5.587 -10.362 1.00 54.44 C ATOM 70 O ASP A 6 -5.693 -5.175 -9.198 1.00 31.14 O ATOM 71 CB ASP A 6 -7.781 -5.200 -11.543 1.00 61.21 C ATOM 72 CG ASP A 6 -7.224 -4.643 -12.848 1.00 0.42 C ATOM 73 OD1 ASP A 6 -6.236 -5.189 -13.373 1.00 12.53 O ATOM 74 OD2 ASP A 6 -7.808 -3.680 -13.379 1.00 14.15 O ATOM 0 H ASP A 6 -8.047 -6.544 -9.285 1.00 34.24 H new ATOM 0 HA ASP A 6 -6.591 -6.952 -11.785 1.00 44.22 H new ATOM 0 HB2 ASP A 6 -8.766 -5.633 -11.717 1.00 61.21 H new ATOM 0 HB3 ASP A 6 -7.910 -4.393 -10.822 1.00 61.21 H new ATOM 79 N ILE A 7 -4.563 -5.479 -11.130 1.00 43.54 N ATOM 80 CA ILE A 7 -3.382 -4.800 -10.695 1.00 33.54 C ATOM 81 C ILE A 7 -3.585 -3.396 -11.171 1.00 40.14 C ATOM 82 O ILE A 7 -3.951 -3.172 -12.330 1.00 53.52 O ATOM 83 CB ILE A 7 -2.077 -5.373 -11.300 1.00 44.24 C ATOM 84 CG1 ILE A 7 -1.762 -6.799 -10.763 1.00 23.32 C ATOM 85 CG2 ILE A 7 -0.906 -4.395 -11.022 1.00 20.40 C ATOM 86 CD1 ILE A 7 -2.712 -7.895 -11.243 1.00 0.35 C ATOM 0 H ILE A 7 -4.497 -5.867 -12.071 1.00 43.54 H new ATOM 0 HA ILE A 7 -3.256 -4.899 -9.617 1.00 33.54 H new ATOM 0 HB ILE A 7 -2.212 -5.472 -12.377 1.00 44.24 H new ATOM 0 HG12 ILE A 7 -0.747 -7.065 -11.057 1.00 23.32 H new ATOM 0 HG13 ILE A 7 -1.782 -6.773 -9.673 1.00 23.32 H new ATOM 0 HG21 ILE A 7 0.013 -4.798 -11.448 1.00 20.40 H new ATOM 0 HG22 ILE A 7 -1.123 -3.428 -11.477 1.00 20.40 H new ATOM 0 HG23 ILE A 7 -0.784 -4.271 -9.946 1.00 20.40 H new ATOM 0 HD11 ILE A 7 -2.410 -8.851 -10.815 1.00 0.35 H new ATOM 0 HD12 ILE A 7 -3.728 -7.660 -10.926 1.00 0.35 H new ATOM 0 HD13 ILE A 7 -2.676 -7.957 -12.331 1.00 0.35 H new ATOM 98 N PHE A 8 -3.416 -2.430 -10.286 1.00 1.33 N ATOM 99 CA PHE A 8 -3.668 -1.073 -10.637 1.00 21.45 C ATOM 100 C PHE A 8 -2.576 -0.278 -10.028 1.00 11.31 C ATOM 101 O PHE A 8 -2.048 -0.635 -8.969 1.00 15.53 O ATOM 102 CB PHE A 8 -5.078 -0.508 -10.187 1.00 25.22 C ATOM 103 CG PHE A 8 -5.296 -0.637 -8.682 1.00 71.25 C ATOM 104 CD1 PHE A 8 -5.350 -1.909 -8.031 1.00 40.04 C ATOM 105 CD2 PHE A 8 -5.499 0.523 -7.899 1.00 60.23 C ATOM 106 CE1 PHE A 8 -5.554 -1.984 -6.640 1.00 32.23 C ATOM 107 CE2 PHE A 8 -5.710 0.426 -6.507 1.00 22.04 C ATOM 108 CZ PHE A 8 -5.727 -0.820 -5.884 1.00 20.45 C ATOM 0 H PHE A 8 -3.106 -2.575 -9.325 1.00 1.33 H new ATOM 0 HA PHE A 8 -3.696 -1.004 -11.724 1.00 21.45 H new ATOM 0 HB2 PHE A 8 -5.157 0.540 -10.475 1.00 25.22 H new ATOM 0 HB3 PHE A 8 -5.867 -1.044 -10.714 1.00 25.22 H new ATOM 0 HD1 PHE A 8 -5.234 -2.815 -8.608 1.00 40.04 H new ATOM 0 HD2 PHE A 8 -5.492 1.494 -8.372 1.00 60.23 H new ATOM 0 HE1 PHE A 8 -5.577 -2.948 -6.153 1.00 32.23 H new ATOM 0 HE2 PHE A 8 -5.859 1.322 -5.922 1.00 22.04 H new ATOM 0 HZ PHE A 8 -5.874 -0.887 -4.816 1.00 20.45 H new ATOM 118 N GLU A 9 -2.179 0.798 -10.709 1.00 4.32 N ATOM 119 CA GLU A 9 -1.145 1.620 -10.256 1.00 45.33 C ATOM 120 C GLU A 9 -1.836 2.829 -9.723 1.00 14.45 C ATOM 121 O GLU A 9 -2.813 3.297 -10.310 1.00 32.22 O ATOM 122 CB GLU A 9 -0.219 2.062 -11.400 1.00 62.42 C ATOM 123 CG GLU A 9 1.015 2.792 -10.917 1.00 14.41 C ATOM 124 CD GLU A 9 1.755 3.304 -12.117 1.00 53.24 C ATOM 125 OE1 GLU A 9 1.202 4.182 -12.824 1.00 4.43 O ATOM 126 OE2 GLU A 9 2.871 2.857 -12.368 1.00 4.32 O ATOM 0 H GLU A 9 -2.593 1.094 -11.593 1.00 4.32 H new ATOM 0 HA GLU A 9 -0.528 1.097 -9.526 1.00 45.33 H new ATOM 0 HB2 GLU A 9 0.085 1.186 -11.972 1.00 62.42 H new ATOM 0 HB3 GLU A 9 -0.774 2.709 -12.079 1.00 62.42 H new ATOM 0 HG2 GLU A 9 0.737 3.617 -10.261 1.00 14.41 H new ATOM 0 HG3 GLU A 9 1.650 2.123 -10.336 1.00 14.41 H new ATOM 133 N VAL A 10 -1.372 3.337 -8.594 1.00 10.11 N ATOM 134 CA VAL A 10 -1.962 4.497 -8.007 1.00 40.10 C ATOM 135 C VAL A 10 -0.865 5.426 -7.796 1.00 72.40 C ATOM 136 O VAL A 10 0.168 5.060 -7.252 1.00 23.53 O ATOM 137 CB VAL A 10 -2.630 4.220 -6.661 1.00 54.02 C ATOM 138 CG1 VAL A 10 -3.333 5.504 -6.152 1.00 72.50 C ATOM 139 CG2 VAL A 10 -3.600 3.048 -6.848 1.00 63.11 C ATOM 0 H VAL A 10 -0.584 2.952 -8.074 1.00 10.11 H new ATOM 0 HA VAL A 10 -2.744 4.876 -8.665 1.00 40.10 H new ATOM 0 HB VAL A 10 -1.899 3.944 -5.901 1.00 54.02 H new ATOM 0 HG11 VAL A 10 -3.808 5.302 -5.192 1.00 72.50 H new ATOM 0 HG12 VAL A 10 -2.597 6.299 -6.033 1.00 72.50 H new ATOM 0 HG13 VAL A 10 -4.089 5.815 -6.873 1.00 72.50 H new ATOM 0 HG21 VAL A 10 -4.092 2.828 -5.901 1.00 63.11 H new ATOM 0 HG22 VAL A 10 -4.350 3.312 -7.594 1.00 63.11 H new ATOM 0 HG23 VAL A 10 -3.049 2.169 -7.183 1.00 63.11 H new ATOM 149 N GLU A 11 -1.056 6.660 -8.226 1.00 14.31 N ATOM 150 CA GLU A 11 -0.123 7.666 -7.942 1.00 31.22 C ATOM 151 C GLU A 11 -0.715 8.420 -6.812 1.00 12.22 C ATOM 152 O GLU A 11 -1.852 8.903 -6.888 1.00 5.53 O ATOM 153 CB GLU A 11 0.188 8.613 -9.113 1.00 45.43 C ATOM 154 CG GLU A 11 -1.028 9.073 -9.926 1.00 60.30 C ATOM 155 CD GLU A 11 -1.493 7.952 -10.831 1.00 25.03 C ATOM 156 OE1 GLU A 11 -0.667 7.392 -11.573 1.00 21.21 O ATOM 157 OE2 GLU A 11 -2.690 7.638 -10.819 1.00 72.22 O ATOM 0 H GLU A 11 -1.861 6.963 -8.774 1.00 14.31 H new ATOM 0 HA GLU A 11 0.842 7.211 -7.717 1.00 31.22 H new ATOM 0 HB2 GLU A 11 0.696 9.494 -8.721 1.00 45.43 H new ATOM 0 HB3 GLU A 11 0.886 8.115 -9.786 1.00 45.43 H new ATOM 0 HG2 GLU A 11 -1.834 9.370 -9.255 1.00 60.30 H new ATOM 0 HG3 GLU A 11 -0.769 9.949 -10.520 1.00 60.30 H new ATOM 164 N LEU A 12 0.008 8.439 -5.704 1.00 53.15 N ATOM 165 CA LEU A 12 -0.506 8.964 -4.488 1.00 61.44 C ATOM 166 C LEU A 12 0.197 10.247 -4.269 1.00 41.53 C ATOM 167 O LEU A 12 1.429 10.272 -4.203 1.00 74.45 O ATOM 168 CB LEU A 12 -0.193 8.030 -3.290 1.00 24.43 C ATOM 169 CG LEU A 12 -1.321 7.930 -2.250 1.00 14.02 C ATOM 170 CD1 LEU A 12 -1.582 9.247 -1.510 1.00 72.23 C ATOM 171 CD2 LEU A 12 -2.602 7.315 -2.844 1.00 45.53 C ATOM 0 H LEU A 12 0.963 8.088 -5.641 1.00 53.15 H new ATOM 0 HA LEU A 12 -1.588 9.073 -4.555 1.00 61.44 H new ATOM 0 HB2 LEU A 12 0.023 7.032 -3.670 1.00 24.43 H new ATOM 0 HB3 LEU A 12 0.711 8.385 -2.795 1.00 24.43 H new ATOM 0 HG LEU A 12 -0.967 7.238 -1.486 1.00 14.02 H new ATOM 0 HD11 LEU A 12 -2.389 9.107 -0.791 1.00 72.23 H new ATOM 0 HD12 LEU A 12 -0.678 9.555 -0.985 1.00 72.23 H new ATOM 0 HD13 LEU A 12 -1.865 10.018 -2.227 1.00 72.23 H new ATOM 0 HD21 LEU A 12 -3.372 7.264 -2.074 1.00 45.53 H new ATOM 0 HD22 LEU A 12 -2.954 7.934 -3.669 1.00 45.53 H new ATOM 0 HD23 LEU A 12 -2.388 6.311 -3.210 1.00 45.53 H new ATOM 183 N ALA A 13 -0.561 11.347 -4.177 1.00 4.22 N ATOM 184 CA ALA A 13 0.033 12.631 -3.955 1.00 4.10 C ATOM 185 C ALA A 13 -0.074 12.934 -2.493 1.00 23.44 C ATOM 186 O ALA A 13 -1.119 12.759 -1.877 1.00 10.32 O ATOM 187 CB ALA A 13 -0.646 13.767 -4.721 1.00 20.54 C ATOM 0 H ALA A 13 -1.578 11.354 -4.255 1.00 4.22 H new ATOM 0 HA ALA A 13 1.062 12.577 -4.310 1.00 4.10 H new ATOM 0 HB1 ALA A 13 -0.140 14.707 -4.502 1.00 20.54 H new ATOM 0 HB2 ALA A 13 -0.592 13.567 -5.791 1.00 20.54 H new ATOM 0 HB3 ALA A 13 -1.690 13.838 -4.417 1.00 20.54 H new ATOM 193 N LYS A 14 1.032 13.409 -1.928 1.00 1.25 N ATOM 194 CA LYS A 14 1.131 13.796 -0.530 1.00 21.42 C ATOM 195 C LYS A 14 0.892 15.277 -0.466 1.00 63.23 C ATOM 196 O LYS A 14 1.536 15.975 0.297 1.00 32.15 O ATOM 197 CB LYS A 14 2.518 13.513 0.106 1.00 43.01 C ATOM 198 CG LYS A 14 2.764 12.047 0.504 1.00 51.32 C ATOM 199 CD LYS A 14 2.578 11.022 -0.621 1.00 22.54 C ATOM 200 CE LYS A 14 3.211 9.654 -0.327 1.00 0.12 C ATOM 201 NZ LYS A 14 4.676 9.798 -0.118 1.00 25.20 N ATOM 0 H LYS A 14 1.903 13.537 -2.444 1.00 1.25 H new ATOM 0 HA LYS A 14 0.402 13.208 0.027 1.00 21.42 H new ATOM 0 HB2 LYS A 14 3.293 13.818 -0.598 1.00 43.01 H new ATOM 0 HB3 LYS A 14 2.629 14.138 0.992 1.00 43.01 H new ATOM 0 HG2 LYS A 14 3.780 11.958 0.890 1.00 51.32 H new ATOM 0 HG3 LYS A 14 2.089 11.792 1.321 1.00 51.32 H new ATOM 0 HD2 LYS A 14 1.512 10.887 -0.803 1.00 22.54 H new ATOM 0 HD3 LYS A 14 3.010 11.422 -1.539 1.00 22.54 H new ATOM 0 HE2 LYS A 14 2.752 9.216 0.559 1.00 0.12 H new ATOM 0 HE3 LYS A 14 3.020 8.972 -1.155 1.00 0.12 H new ATOM 0 HZ1 LYS A 14 5.141 8.881 -0.274 1.00 25.20 H new ATOM 0 HZ2 LYS A 14 5.055 10.497 -0.789 1.00 25.20 H new ATOM 0 HZ3 LYS A 14 4.858 10.118 0.855 1.00 25.20 H new ATOM 215 N ASN A 15 0.006 15.796 -1.343 1.00 23.23 N ATOM 216 CA ASN A 15 -0.235 17.248 -1.448 1.00 4.30 C ATOM 217 C ASN A 15 -0.710 17.783 -0.097 1.00 42.23 C ATOM 218 O ASN A 15 -0.520 18.955 0.214 1.00 12.04 O ATOM 219 CB ASN A 15 -1.297 17.626 -2.522 1.00 10.51 C ATOM 220 CG ASN A 15 -1.339 19.159 -2.655 1.00 70.22 C ATOM 221 OD1 ASN A 15 -0.334 19.788 -2.990 1.00 35.15 O ATOM 222 ND2 ASN A 15 -2.504 19.772 -2.388 1.00 62.13 N ATOM 0 H ASN A 15 -0.551 15.232 -1.985 1.00 23.23 H new ATOM 0 HA ASN A 15 0.712 17.695 -1.751 1.00 4.30 H new ATOM 0 HB2 ASN A 15 -1.045 17.170 -3.480 1.00 10.51 H new ATOM 0 HB3 ASN A 15 -2.277 17.244 -2.235 1.00 10.51 H new ATOM 0 HD21 ASN A 15 -2.575 20.787 -2.460 1.00 62.13 H new ATOM 0 HD22 ASN A 15 -3.318 19.222 -2.113 1.00 62.13 H new ATOM 229 N ASP A 16 -1.328 16.914 0.748 1.00 34.20 N ATOM 230 CA ASP A 16 -1.676 17.323 2.108 1.00 74.13 C ATOM 231 C ASP A 16 -0.460 17.051 2.962 1.00 12.13 C ATOM 232 O ASP A 16 0.635 17.457 2.610 1.00 72.23 O ATOM 233 CB ASP A 16 -2.923 16.622 2.718 1.00 22.14 C ATOM 234 CG ASP A 16 -4.147 17.052 1.931 1.00 65.54 C ATOM 235 OD1 ASP A 16 -4.344 18.283 1.730 1.00 63.03 O ATOM 236 OD2 ASP A 16 -4.914 16.180 1.495 1.00 4.14 O ATOM 0 H ASP A 16 -1.583 15.956 0.508 1.00 34.20 H new ATOM 0 HA ASP A 16 -1.955 18.376 2.076 1.00 74.13 H new ATOM 0 HB2 ASP A 16 -2.807 15.539 2.677 1.00 22.14 H new ATOM 0 HB3 ASP A 16 -3.034 16.891 3.768 1.00 22.14 H new ATOM 241 N ASN A 17 -0.620 16.384 4.124 1.00 64.32 N ATOM 242 CA ASN A 17 0.529 16.203 5.021 1.00 0.22 C ATOM 243 C ASN A 17 0.663 14.742 5.340 1.00 73.12 C ATOM 244 O ASN A 17 1.749 14.173 5.239 1.00 23.05 O ATOM 245 CB ASN A 17 0.381 16.972 6.373 1.00 14.43 C ATOM 246 CG ASN A 17 1.635 16.736 7.229 1.00 52.31 C ATOM 247 OD1 ASN A 17 1.619 15.923 8.156 1.00 10.54 O ATOM 248 ND2 ASN A 17 2.728 17.443 6.931 1.00 72.23 N ATOM 0 H ASN A 17 -1.497 15.978 4.450 1.00 64.32 H new ATOM 0 HA ASN A 17 1.402 16.600 4.503 1.00 0.22 H new ATOM 0 HB2 ASN A 17 0.249 18.038 6.186 1.00 14.43 H new ATOM 0 HB3 ASN A 17 -0.507 16.629 6.905 1.00 14.43 H new ATOM 0 HD21 ASN A 17 3.581 17.318 7.476 1.00 72.23 H new ATOM 0 HD22 ASN A 17 2.710 18.108 6.158 1.00 72.23 H new ATOM 255 N SER A 18 -0.435 14.111 5.778 1.00 74.41 N ATOM 256 CA SER A 18 -0.332 12.767 6.305 1.00 50.25 C ATOM 257 C SER A 18 -0.383 11.816 5.140 1.00 22.33 C ATOM 258 O SER A 18 -1.137 12.034 4.180 1.00 22.13 O ATOM 259 CB SER A 18 -1.441 12.405 7.334 1.00 63.13 C ATOM 260 OG SER A 18 -2.742 12.762 6.841 1.00 2.55 O ATOM 0 H SER A 18 -1.375 14.506 5.774 1.00 74.41 H new ATOM 0 HA SER A 18 0.608 12.694 6.853 1.00 50.25 H new ATOM 0 HB2 SER A 18 -1.410 11.336 7.546 1.00 63.13 H new ATOM 0 HB3 SER A 18 -1.251 12.922 8.275 1.00 63.13 H new ATOM 0 HG SER A 18 -3.421 12.522 7.506 1.00 2.55 H new ATOM 266 N LEU A 19 0.452 10.740 5.175 1.00 1.23 N ATOM 267 CA LEU A 19 0.379 9.732 4.126 1.00 42.52 C ATOM 268 C LEU A 19 -0.885 8.982 4.402 1.00 14.44 C ATOM 269 O LEU A 19 -1.840 9.003 3.644 1.00 41.20 O ATOM 270 CB LEU A 19 1.558 8.714 4.180 1.00 55.33 C ATOM 271 CG LEU A 19 2.933 9.360 4.438 1.00 55.34 C ATOM 272 CD1 LEU A 19 4.049 8.319 4.567 1.00 35.21 C ATOM 273 CD2 LEU A 19 3.282 10.472 3.447 1.00 24.03 C ATOM 0 H LEU A 19 1.152 10.568 5.897 1.00 1.23 H new ATOM 0 HA LEU A 19 0.419 10.213 3.149 1.00 42.52 H new ATOM 0 HB2 LEU A 19 1.358 7.984 4.964 1.00 55.33 H new ATOM 0 HB3 LEU A 19 1.596 8.167 3.238 1.00 55.33 H new ATOM 0 HG LEU A 19 2.848 9.853 5.406 1.00 55.34 H new ATOM 0 HD11 LEU A 19 4.998 8.824 4.748 1.00 35.21 H new ATOM 0 HD12 LEU A 19 3.829 7.651 5.399 1.00 35.21 H new ATOM 0 HD13 LEU A 19 4.116 7.741 3.645 1.00 35.21 H new ATOM 0 HD21 LEU A 19 4.263 10.881 3.689 1.00 24.03 H new ATOM 0 HD22 LEU A 19 3.298 10.066 2.435 1.00 24.03 H new ATOM 0 HD23 LEU A 19 2.534 11.263 3.509 1.00 24.03 H new ATOM 285 N GLY A 20 -0.920 8.415 5.596 1.00 73.01 N ATOM 286 CA GLY A 20 -2.126 7.945 6.176 1.00 44.13 C ATOM 287 C GLY A 20 -2.266 6.503 5.873 1.00 2.03 C ATOM 288 O GLY A 20 -3.369 5.981 5.875 1.00 1.12 O ATOM 0 H GLY A 20 -0.095 8.276 6.180 1.00 73.01 H new ATOM 0 HA2 GLY A 20 -2.115 8.106 7.254 1.00 44.13 H new ATOM 0 HA3 GLY A 20 -2.977 8.499 5.780 1.00 44.13 H new ATOM 292 N ILE A 21 -1.150 5.817 5.613 1.00 11.43 N ATOM 293 CA ILE A 21 -1.198 4.410 5.372 1.00 43.44 C ATOM 294 C ILE A 21 -0.301 3.789 6.373 1.00 34.45 C ATOM 295 O ILE A 21 0.636 4.431 6.874 1.00 64.24 O ATOM 296 CB ILE A 21 -0.691 3.969 3.984 1.00 11.04 C ATOM 297 CG1 ILE A 21 0.106 5.072 3.235 1.00 43.21 C ATOM 298 CG2 ILE A 21 -1.871 3.369 3.212 1.00 70.20 C ATOM 299 CD1 ILE A 21 -0.763 6.007 2.432 1.00 22.23 C ATOM 0 H ILE A 21 -0.218 6.228 5.569 1.00 11.43 H new ATOM 0 HA ILE A 21 -2.244 4.108 5.432 1.00 43.44 H new ATOM 0 HB ILE A 21 0.064 3.190 4.095 1.00 11.04 H new ATOM 0 HG12 ILE A 21 0.676 5.653 3.961 1.00 43.21 H new ATOM 0 HG13 ILE A 21 0.827 4.598 2.569 1.00 43.21 H new ATOM 0 HG21 ILE A 21 -1.536 3.049 2.225 1.00 70.20 H new ATOM 0 HG22 ILE A 21 -2.264 2.511 3.757 1.00 70.20 H new ATOM 0 HG23 ILE A 21 -2.654 4.119 3.104 1.00 70.20 H new ATOM 0 HD11 ILE A 21 -0.138 6.750 1.937 1.00 22.23 H new ATOM 0 HD12 ILE A 21 -1.313 5.438 1.682 1.00 22.23 H new ATOM 0 HD13 ILE A 21 -1.467 6.509 3.095 1.00 22.23 H new ATOM 311 N CYS A 22 -0.534 2.489 6.619 1.00 2.31 N ATOM 312 CA CYS A 22 0.416 1.666 7.295 1.00 23.35 C ATOM 313 C CYS A 22 0.097 0.307 6.771 1.00 50.11 C ATOM 314 O CYS A 22 -0.919 0.132 6.076 1.00 51.35 O ATOM 315 CB CYS A 22 0.250 1.617 8.846 1.00 74.42 C ATOM 316 SG CYS A 22 0.512 3.243 9.655 1.00 33.53 S ATOM 0 H CYS A 22 -1.389 2.005 6.346 1.00 2.31 H new ATOM 0 HA CYS A 22 1.425 2.041 7.122 1.00 23.35 H new ATOM 0 HB2 CYS A 22 -0.750 1.256 9.086 1.00 74.42 H new ATOM 0 HB3 CYS A 22 0.956 0.896 9.258 1.00 74.42 H new ATOM 321 N VAL A 23 1.015 -0.656 6.945 1.00 12.42 N ATOM 322 CA VAL A 23 0.974 -1.842 6.145 1.00 62.12 C ATOM 323 C VAL A 23 1.415 -2.985 7.026 1.00 4.02 C ATOM 324 O VAL A 23 1.910 -2.771 8.136 1.00 2.35 O ATOM 325 CB VAL A 23 1.924 -1.741 4.948 1.00 31.33 C ATOM 326 CG1 VAL A 23 1.181 -1.023 3.798 1.00 20.11 C ATOM 327 CG2 VAL A 23 3.206 -0.995 5.385 1.00 2.51 C ATOM 0 H VAL A 23 1.774 -0.619 7.626 1.00 12.42 H new ATOM 0 HA VAL A 23 -0.034 -1.989 5.758 1.00 62.12 H new ATOM 0 HB VAL A 23 2.228 -2.725 4.590 1.00 31.33 H new ATOM 0 HG11 VAL A 23 1.841 -0.940 2.934 1.00 20.11 H new ATOM 0 HG12 VAL A 23 0.295 -1.595 3.524 1.00 20.11 H new ATOM 0 HG13 VAL A 23 0.883 -0.026 4.124 1.00 20.11 H new ATOM 0 HG21 VAL A 23 3.889 -0.918 4.539 1.00 2.51 H new ATOM 0 HG22 VAL A 23 2.945 0.005 5.732 1.00 2.51 H new ATOM 0 HG23 VAL A 23 3.690 -1.545 6.193 1.00 2.51 H new ATOM 337 N THR A 24 1.190 -4.217 6.533 1.00 43.21 N ATOM 338 CA THR A 24 1.492 -5.420 7.263 1.00 51.04 C ATOM 339 C THR A 24 1.974 -6.398 6.205 1.00 71.20 C ATOM 340 O THR A 24 1.787 -6.150 5.020 1.00 34.43 O ATOM 341 CB THR A 24 0.234 -5.976 7.982 1.00 71.03 C ATOM 342 OG1 THR A 24 0.496 -7.154 8.758 1.00 52.22 O ATOM 343 CG2 THR A 24 -0.891 -6.250 6.952 1.00 63.11 C ATOM 0 H THR A 24 0.791 -4.386 5.610 1.00 43.21 H new ATOM 0 HA THR A 24 2.233 -5.245 8.043 1.00 51.04 H new ATOM 0 HB THR A 24 -0.087 -5.209 8.686 1.00 71.03 H new ATOM 0 HG1 THR A 24 -0.333 -7.454 9.187 1.00 52.22 H new ATOM 0 HG21 THR A 24 -1.769 -6.640 7.467 1.00 63.11 H new ATOM 0 HG22 THR A 24 -1.151 -5.322 6.442 1.00 63.11 H new ATOM 0 HG23 THR A 24 -0.545 -6.981 6.221 1.00 63.11 H new ATOM 351 N GLY A 25 2.602 -7.521 6.619 1.00 44.33 N ATOM 352 CA GLY A 25 2.988 -8.558 5.671 1.00 42.11 C ATOM 353 C GLY A 25 4.470 -8.621 5.641 1.00 33.33 C ATOM 354 O GLY A 25 5.144 -8.136 6.569 1.00 53.21 O ATOM 0 H GLY A 25 2.844 -7.719 7.590 1.00 44.33 H new ATOM 0 HA2 GLY A 25 2.571 -9.520 5.968 1.00 42.11 H new ATOM 0 HA3 GLY A 25 2.596 -8.333 4.679 1.00 42.11 H new ATOM 358 N GLY A 26 5.035 -9.260 4.582 1.00 11.42 N ATOM 359 CA GLY A 26 6.461 -9.247 4.399 1.00 24.23 C ATOM 360 C GLY A 26 6.982 -10.645 4.260 1.00 20.24 C ATOM 361 O GLY A 26 6.534 -11.410 3.407 1.00 14.14 O ATOM 0 H GLY A 26 4.514 -9.773 3.871 1.00 11.42 H new ATOM 0 HA2 GLY A 26 6.715 -8.667 3.511 1.00 24.23 H new ATOM 0 HA3 GLY A 26 6.939 -8.757 5.247 1.00 24.23 H new ATOM 365 N VAL A 27 8.006 -10.961 5.103 1.00 63.31 N ATOM 366 CA VAL A 27 8.899 -12.140 5.059 1.00 32.44 C ATOM 367 C VAL A 27 8.197 -13.498 5.175 1.00 42.11 C ATOM 368 O VAL A 27 8.855 -14.476 5.535 1.00 11.31 O ATOM 369 CB VAL A 27 9.933 -12.064 6.175 1.00 33.14 C ATOM 370 CG1 VAL A 27 10.853 -10.872 5.882 1.00 21.34 C ATOM 371 CG2 VAL A 27 9.191 -11.940 7.540 1.00 31.31 C ATOM 0 H VAL A 27 8.240 -10.350 5.885 1.00 63.31 H new ATOM 0 HA VAL A 27 9.351 -12.094 4.068 1.00 32.44 H new ATOM 0 HB VAL A 27 10.550 -12.961 6.228 1.00 33.14 H new ATOM 0 HG11 VAL A 27 11.606 -10.792 6.666 1.00 21.34 H new ATOM 0 HG12 VAL A 27 11.345 -11.020 4.921 1.00 21.34 H new ATOM 0 HG13 VAL A 27 10.263 -9.956 5.851 1.00 21.34 H new ATOM 0 HG21 VAL A 27 9.921 -11.885 8.347 1.00 31.31 H new ATOM 0 HG22 VAL A 27 8.580 -11.038 7.541 1.00 31.31 H new ATOM 0 HG23 VAL A 27 8.552 -12.811 7.687 1.00 31.31 H new ATOM 381 N ASN A 28 6.888 -13.571 4.942 1.00 51.55 N ATOM 382 CA ASN A 28 6.050 -14.729 5.314 1.00 31.34 C ATOM 383 C ASN A 28 5.638 -14.493 6.703 1.00 45.12 C ATOM 384 O ASN A 28 5.975 -15.217 7.645 1.00 20.35 O ATOM 385 CB ASN A 28 6.619 -16.175 5.146 1.00 54.14 C ATOM 386 CG ASN A 28 6.704 -16.471 3.660 1.00 51.12 C ATOM 387 OD1 ASN A 28 5.708 -16.867 3.045 1.00 5.14 O ATOM 388 ND2 ASN A 28 7.883 -16.275 3.051 1.00 72.33 N ATOM 0 H ASN A 28 6.365 -12.824 4.485 1.00 51.55 H new ATOM 0 HA ASN A 28 5.241 -14.753 4.584 1.00 31.34 H new ATOM 0 HB2 ASN A 28 7.603 -16.254 5.608 1.00 54.14 H new ATOM 0 HB3 ASN A 28 5.974 -16.899 5.643 1.00 54.14 H new ATOM 0 HD21 ASN A 28 7.976 -16.454 2.051 1.00 72.33 H new ATOM 0 HD22 ASN A 28 8.686 -15.947 3.588 1.00 72.33 H new ATOM 395 N THR A 29 4.879 -13.430 6.809 1.00 24.31 N ATOM 396 CA THR A 29 4.272 -12.992 8.009 1.00 4.10 C ATOM 397 C THR A 29 2.934 -13.724 8.051 1.00 13.35 C ATOM 398 O THR A 29 2.746 -14.720 7.340 1.00 14.30 O ATOM 399 CB THR A 29 4.105 -11.478 8.065 1.00 32.23 C ATOM 400 OG1 THR A 29 5.262 -10.866 7.473 1.00 42.23 O ATOM 401 CG2 THR A 29 4.026 -11.031 9.545 1.00 64.40 C ATOM 0 H THR A 29 4.667 -12.828 6.013 1.00 24.31 H new ATOM 0 HA THR A 29 4.890 -13.218 8.878 1.00 4.10 H new ATOM 0 HB THR A 29 3.199 -11.186 7.533 1.00 32.23 H new ATOM 0 HG1 THR A 29 5.431 -10.002 7.903 1.00 42.23 H new ATOM 0 HG21 THR A 29 3.906 -9.949 9.592 1.00 64.40 H new ATOM 0 HG22 THR A 29 3.174 -11.512 10.025 1.00 64.40 H new ATOM 0 HG23 THR A 29 4.942 -11.318 10.061 1.00 64.40 H new ATOM 409 N SER A 30 2.023 -13.301 8.926 1.00 1.10 N ATOM 410 CA SER A 30 0.760 -13.971 9.147 1.00 15.50 C ATOM 411 C SER A 30 -0.057 -14.059 7.850 1.00 21.23 C ATOM 412 O SER A 30 -0.941 -14.912 7.728 1.00 0.51 O ATOM 413 CB SER A 30 -0.065 -13.221 10.201 1.00 11.31 C ATOM 414 OG SER A 30 0.768 -12.961 11.344 1.00 2.32 O ATOM 0 H SER A 30 2.151 -12.471 9.505 1.00 1.10 H new ATOM 0 HA SER A 30 0.982 -14.979 9.497 1.00 15.50 H new ATOM 0 HB2 SER A 30 -0.443 -12.285 9.789 1.00 11.31 H new ATOM 0 HB3 SER A 30 -0.932 -13.813 10.493 1.00 11.31 H new ATOM 0 HG SER A 30 0.251 -12.480 12.023 1.00 2.32 H new ATOM 420 N VAL A 31 0.239 -13.196 6.843 1.00 3.32 N ATOM 421 CA VAL A 31 -0.443 -13.287 5.574 1.00 51.41 C ATOM 422 C VAL A 31 0.324 -14.289 4.706 1.00 3.24 C ATOM 423 O VAL A 31 1.553 -14.242 4.596 1.00 2.21 O ATOM 424 CB VAL A 31 -0.575 -11.954 4.853 1.00 3.15 C ATOM 425 CG1 VAL A 31 -1.631 -11.122 5.609 1.00 25.41 C ATOM 426 CG2 VAL A 31 0.803 -11.253 4.793 1.00 35.15 C ATOM 0 H VAL A 31 0.934 -12.452 6.905 1.00 3.32 H new ATOM 0 HA VAL A 31 -1.465 -13.616 5.760 1.00 51.41 H new ATOM 0 HB VAL A 31 -0.901 -12.084 3.821 1.00 3.15 H new ATOM 0 HG11 VAL A 31 -1.752 -10.156 5.119 1.00 25.41 H new ATOM 0 HG12 VAL A 31 -2.583 -11.653 5.606 1.00 25.41 H new ATOM 0 HG13 VAL A 31 -1.305 -10.968 6.638 1.00 25.41 H new ATOM 0 HG21 VAL A 31 0.704 -10.299 4.276 1.00 35.15 H new ATOM 0 HG22 VAL A 31 1.168 -11.081 5.806 1.00 35.15 H new ATOM 0 HG23 VAL A 31 1.510 -11.885 4.255 1.00 35.15 H new ATOM 436 N ARG A 32 -0.422 -15.245 4.116 1.00 23.45 N ATOM 437 CA ARG A 32 0.155 -16.380 3.403 1.00 35.32 C ATOM 438 C ARG A 32 0.790 -15.904 2.109 1.00 12.01 C ATOM 439 O ARG A 32 1.815 -16.427 1.663 1.00 62.31 O ATOM 440 CB ARG A 32 -0.931 -17.437 3.070 1.00 62.24 C ATOM 441 CG ARG A 32 -0.378 -18.803 2.669 1.00 23.23 C ATOM 442 CD ARG A 32 -1.471 -19.870 2.541 1.00 51.31 C ATOM 443 NE ARG A 32 -0.819 -21.181 2.199 1.00 34.15 N ATOM 444 CZ ARG A 32 -1.537 -22.360 2.165 1.00 55.41 C ATOM 445 NH1 ARG A 32 -2.884 -22.359 2.377 1.00 31.11 N ATOM 446 NH2 ARG A 32 -0.883 -23.520 1.909 1.00 72.34 N ATOM 0 H ARG A 32 -1.442 -15.243 4.126 1.00 23.45 H new ATOM 0 HA ARG A 32 0.908 -16.836 4.046 1.00 35.32 H new ATOM 0 HB2 ARG A 32 -1.579 -17.561 3.938 1.00 62.24 H new ATOM 0 HB3 ARG A 32 -1.553 -17.058 2.259 1.00 62.24 H new ATOM 0 HG2 ARG A 32 0.148 -18.712 1.719 1.00 23.23 H new ATOM 0 HG3 ARG A 32 0.354 -19.126 3.410 1.00 23.23 H new ATOM 0 HD2 ARG A 32 -2.028 -19.956 3.474 1.00 51.31 H new ATOM 0 HD3 ARG A 32 -2.186 -19.589 1.768 1.00 51.31 H new ATOM 0 HE ARG A 32 0.179 -21.200 1.987 1.00 34.15 H new ATOM 0 HH11 ARG A 32 -3.370 -21.482 2.563 1.00 31.11 H new ATOM 0 HH12 ARG A 32 -3.405 -23.235 2.350 1.00 31.11 H new ATOM 0 HH21 ARG A 32 0.124 -23.512 1.745 1.00 72.34 H new ATOM 0 HH22 ARG A 32 -1.398 -24.400 1.880 1.00 72.34 H new ATOM 460 N HIS A 33 0.189 -14.881 1.487 1.00 12.51 N ATOM 461 CA HIS A 33 0.673 -14.337 0.210 1.00 22.33 C ATOM 462 C HIS A 33 1.957 -13.566 0.478 1.00 5.45 C ATOM 463 O HIS A 33 2.714 -13.236 -0.436 1.00 51.42 O ATOM 464 CB HIS A 33 -0.365 -13.343 -0.392 1.00 0.00 C ATOM 465 CG HIS A 33 -0.196 -12.995 -1.858 1.00 3.42 C ATOM 466 ND1 HIS A 33 0.937 -12.423 -2.384 1.00 34.03 N ATOM 467 CD2 HIS A 33 -1.088 -13.101 -2.865 1.00 1.10 C ATOM 468 CE1 HIS A 33 0.720 -12.188 -3.678 1.00 72.30 C ATOM 469 NE2 HIS A 33 -0.508 -12.593 -3.983 1.00 71.14 N ATOM 0 H HIS A 33 -0.640 -14.410 1.851 1.00 12.51 H new ATOM 0 HA HIS A 33 0.834 -15.158 -0.488 1.00 22.33 H new ATOM 0 HB2 HIS A 33 -1.361 -13.764 -0.254 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -0.327 -12.419 0.185 1.00 0.00 H new ATOM 0 HD1 HIS A 33 1.795 -12.214 -1.873 1.00 34.03 H new ATOM 0 HD2 HIS A 33 -2.083 -13.515 -2.795 1.00 1.10 H new ATOM 0 HE1 HIS A 33 1.425 -11.743 -4.364 1.00 72.30 H new ATOM 478 N GLY A 34 2.217 -13.244 1.778 1.00 4.10 N ATOM 479 CA GLY A 34 3.387 -12.444 2.183 1.00 51.15 C ATOM 480 C GLY A 34 3.306 -11.057 1.592 1.00 22.35 C ATOM 481 O GLY A 34 4.257 -10.291 1.659 1.00 75.41 O ATOM 0 H GLY A 34 1.624 -13.532 2.557 1.00 4.10 H new ATOM 0 HA2 GLY A 34 3.434 -12.381 3.270 1.00 51.15 H new ATOM 0 HA3 GLY A 34 4.303 -12.934 1.853 1.00 51.15 H new ATOM 485 N GLY A 35 2.152 -10.721 0.979 1.00 52.42 N ATOM 486 CA GLY A 35 1.989 -9.456 0.304 1.00 41.45 C ATOM 487 C GLY A 35 1.926 -8.395 1.332 1.00 30.31 C ATOM 488 O GLY A 35 1.644 -8.666 2.498 1.00 33.32 O ATOM 0 H GLY A 35 1.329 -11.323 0.948 1.00 52.42 H new ATOM 0 HA2 GLY A 35 2.821 -9.278 -0.377 1.00 41.45 H new ATOM 0 HA3 GLY A 35 1.080 -9.459 -0.297 1.00 41.45 H new ATOM 492 N ILE A 36 2.200 -7.158 0.920 1.00 2.31 N ATOM 493 CA ILE A 36 2.213 -6.065 1.830 1.00 4.24 C ATOM 494 C ILE A 36 0.809 -5.518 1.821 1.00 12.54 C ATOM 495 O ILE A 36 0.438 -4.760 0.951 1.00 31.01 O ATOM 496 CB ILE A 36 3.194 -4.980 1.399 1.00 23.14 C ATOM 497 CG1 ILE A 36 4.613 -5.578 1.173 1.00 21.43 C ATOM 498 CG2 ILE A 36 3.183 -3.847 2.429 1.00 23.31 C ATOM 499 CD1 ILE A 36 5.212 -6.269 2.409 1.00 33.51 C ATOM 0 H ILE A 36 2.414 -6.910 -0.046 1.00 2.31 H new ATOM 0 HA ILE A 36 2.530 -6.391 2.820 1.00 4.24 H new ATOM 0 HB ILE A 36 2.885 -4.560 0.442 1.00 23.14 H new ATOM 0 HG12 ILE A 36 4.565 -6.298 0.356 1.00 21.43 H new ATOM 0 HG13 ILE A 36 5.285 -4.780 0.856 1.00 21.43 H new ATOM 0 HG21 ILE A 36 3.884 -3.070 2.123 1.00 23.31 H new ATOM 0 HG22 ILE A 36 2.180 -3.425 2.495 1.00 23.31 H new ATOM 0 HG23 ILE A 36 3.477 -4.238 3.403 1.00 23.31 H new ATOM 0 HD11 ILE A 36 6.201 -6.657 2.165 1.00 33.51 H new ATOM 0 HD12 ILE A 36 5.295 -5.549 3.223 1.00 33.51 H new ATOM 0 HD13 ILE A 36 4.565 -7.091 2.716 1.00 33.51 H new ATOM 511 N TYR A 37 -0.025 -5.949 2.767 1.00 72.21 N ATOM 512 CA TYR A 37 -1.419 -5.564 2.735 1.00 41.34 C ATOM 513 C TYR A 37 -1.536 -4.261 3.421 1.00 71.53 C ATOM 514 O TYR A 37 -0.811 -3.977 4.379 1.00 74.32 O ATOM 515 CB TYR A 37 -2.387 -6.541 3.455 1.00 62.22 C ATOM 516 CG TYR A 37 -2.479 -7.802 2.656 1.00 11.53 C ATOM 517 CD1 TYR A 37 -1.464 -8.781 2.734 1.00 2.32 C ATOM 518 CD2 TYR A 37 -3.592 -8.039 1.812 1.00 64.30 C ATOM 519 CE1 TYR A 37 -1.547 -9.960 1.976 1.00 23.23 C ATOM 520 CE2 TYR A 37 -3.684 -9.229 1.073 1.00 1.33 C ATOM 521 CZ TYR A 37 -2.658 -10.188 1.151 1.00 65.30 C ATOM 522 OH TYR A 37 -2.744 -11.377 0.411 1.00 2.12 O ATOM 0 H TYR A 37 0.241 -6.552 3.546 1.00 72.21 H new ATOM 0 HA TYR A 37 -1.708 -5.549 1.684 1.00 41.34 H new ATOM 0 HB2 TYR A 37 -2.027 -6.757 4.461 1.00 62.22 H new ATOM 0 HB3 TYR A 37 -3.373 -6.087 3.560 1.00 62.22 H new ATOM 0 HD1 TYR A 37 -0.616 -8.621 3.383 1.00 2.32 H new ATOM 0 HD2 TYR A 37 -4.375 -7.299 1.737 1.00 64.30 H new ATOM 0 HE1 TYR A 37 -0.755 -10.692 2.028 1.00 23.23 H new ATOM 0 HE2 TYR A 37 -4.543 -9.408 0.444 1.00 1.33 H new ATOM 0 HH TYR A 37 -3.575 -11.380 -0.108 1.00 2.12 H new ATOM 532 N VAL A 38 -2.479 -3.427 2.948 1.00 22.51 N ATOM 533 CA VAL A 38 -2.802 -2.208 3.620 1.00 70.23 C ATOM 534 C VAL A 38 -3.448 -2.601 4.934 1.00 34.42 C ATOM 535 O VAL A 38 -4.342 -3.458 4.965 1.00 10.35 O ATOM 536 CB VAL A 38 -3.762 -1.357 2.808 1.00 2.20 C ATOM 537 CG1 VAL A 38 -4.079 -0.074 3.573 1.00 5.51 C ATOM 538 CG2 VAL A 38 -3.115 -1.084 1.427 1.00 24.14 C ATOM 0 H VAL A 38 -3.018 -3.598 2.099 1.00 22.51 H new ATOM 0 HA VAL A 38 -1.902 -1.611 3.770 1.00 70.23 H new ATOM 0 HB VAL A 38 -4.710 -1.870 2.645 1.00 2.20 H new ATOM 0 HG11 VAL A 38 -4.768 0.537 2.990 1.00 5.51 H new ATOM 0 HG12 VAL A 38 -4.537 -0.325 4.530 1.00 5.51 H new ATOM 0 HG13 VAL A 38 -3.158 0.483 3.746 1.00 5.51 H new ATOM 0 HG21 VAL A 38 -3.787 -0.473 0.825 1.00 24.14 H new ATOM 0 HG22 VAL A 38 -2.171 -0.556 1.565 1.00 24.14 H new ATOM 0 HG23 VAL A 38 -2.931 -2.030 0.918 1.00 24.14 H new ATOM 548 N LYS A 39 -2.945 -2.027 6.047 1.00 14.42 N ATOM 549 CA LYS A 39 -3.352 -2.463 7.362 1.00 72.40 C ATOM 550 C LYS A 39 -4.246 -1.424 7.930 1.00 50.33 C ATOM 551 O LYS A 39 -5.259 -1.729 8.543 1.00 3.42 O ATOM 552 CB LYS A 39 -2.160 -2.600 8.335 1.00 73.50 C ATOM 553 CG LYS A 39 -2.527 -3.364 9.631 1.00 44.21 C ATOM 554 CD LYS A 39 -1.402 -3.446 10.682 1.00 0.14 C ATOM 555 CE LYS A 39 -1.194 -2.139 11.474 1.00 24.31 C ATOM 556 NZ LYS A 39 -0.190 -2.329 12.543 1.00 2.13 N ATOM 0 H LYS A 39 -2.263 -1.268 6.043 1.00 14.42 H new ATOM 0 HA LYS A 39 -3.832 -3.436 7.253 1.00 72.40 H new ATOM 0 HB2 LYS A 39 -1.344 -3.119 7.832 1.00 73.50 H new ATOM 0 HB3 LYS A 39 -1.794 -1.607 8.596 1.00 73.50 H new ATOM 0 HG2 LYS A 39 -3.393 -2.883 10.085 1.00 44.21 H new ATOM 0 HG3 LYS A 39 -2.829 -4.377 9.364 1.00 44.21 H new ATOM 0 HD2 LYS A 39 -1.628 -4.251 11.381 1.00 0.14 H new ATOM 0 HD3 LYS A 39 -0.470 -3.710 10.183 1.00 0.14 H new ATOM 0 HE2 LYS A 39 -0.869 -1.347 10.799 1.00 24.31 H new ATOM 0 HE3 LYS A 39 -2.140 -1.818 11.910 1.00 24.31 H new ATOM 0 HZ1 LYS A 39 0.329 -1.440 12.694 1.00 2.13 H new ATOM 0 HZ2 LYS A 39 -0.669 -2.604 13.424 1.00 2.13 H new ATOM 0 HZ3 LYS A 39 0.477 -3.076 12.264 1.00 2.13 H new ATOM 570 N ALA A 40 -3.855 -0.162 7.764 1.00 70.33 N ATOM 571 CA ALA A 40 -4.548 0.906 8.413 1.00 74.30 C ATOM 572 C ALA A 40 -4.639 1.977 7.425 1.00 12.33 C ATOM 573 O ALA A 40 -3.715 2.165 6.627 1.00 5.10 O ATOM 574 CB ALA A 40 -3.804 1.485 9.641 1.00 53.21 C ATOM 0 H ALA A 40 -3.066 0.127 7.186 1.00 70.33 H new ATOM 0 HA ALA A 40 -5.504 0.525 8.771 1.00 74.30 H new ATOM 0 HB1 ALA A 40 -4.394 2.291 10.078 1.00 53.21 H new ATOM 0 HB2 ALA A 40 -3.658 0.699 10.382 1.00 53.21 H new ATOM 0 HB3 ALA A 40 -2.835 1.874 9.329 1.00 53.21 H new ATOM 580 N VAL A 41 -5.756 2.709 7.450 1.00 15.32 N ATOM 581 CA VAL A 41 -5.903 3.869 6.645 1.00 13.24 C ATOM 582 C VAL A 41 -6.294 4.947 7.620 1.00 53.11 C ATOM 583 O VAL A 41 -7.305 4.826 8.323 1.00 74.03 O ATOM 584 CB VAL A 41 -6.984 3.746 5.573 1.00 15.01 C ATOM 585 CG1 VAL A 41 -6.948 5.007 4.684 1.00 72.23 C ATOM 586 CG2 VAL A 41 -6.739 2.441 4.774 1.00 33.31 C ATOM 0 H VAL A 41 -6.565 2.495 8.033 1.00 15.32 H new ATOM 0 HA VAL A 41 -4.981 4.063 6.097 1.00 13.24 H new ATOM 0 HB VAL A 41 -7.981 3.684 6.010 1.00 15.01 H new ATOM 0 HG11 VAL A 41 -7.716 4.931 3.914 1.00 72.23 H new ATOM 0 HG12 VAL A 41 -7.134 5.889 5.296 1.00 72.23 H new ATOM 0 HG13 VAL A 41 -5.969 5.092 4.213 1.00 72.23 H new ATOM 0 HG21 VAL A 41 -7.503 2.337 4.003 1.00 33.31 H new ATOM 0 HG22 VAL A 41 -5.755 2.480 4.307 1.00 33.31 H new ATOM 0 HG23 VAL A 41 -6.787 1.587 5.449 1.00 33.31 H new ATOM 596 N ILE A 42 -5.479 6.000 7.710 1.00 64.22 N ATOM 597 CA ILE A 42 -5.749 7.094 8.622 1.00 41.44 C ATOM 598 C ILE A 42 -6.915 7.864 8.024 1.00 51.52 C ATOM 599 O ILE A 42 -6.949 8.100 6.813 1.00 41.24 O ATOM 600 CB ILE A 42 -4.574 7.991 8.817 1.00 41.40 C ATOM 601 CG1 ILE A 42 -3.431 7.152 9.419 1.00 13.15 C ATOM 602 CG2 ILE A 42 -4.950 9.215 9.712 1.00 13.40 C ATOM 603 CD1 ILE A 42 -2.312 8.020 9.859 1.00 21.11 C ATOM 0 H ILE A 42 -4.628 6.111 7.159 1.00 64.22 H new ATOM 0 HA ILE A 42 -5.979 6.701 9.612 1.00 41.44 H new ATOM 0 HB ILE A 42 -4.246 8.406 7.864 1.00 41.40 H new ATOM 0 HG12 ILE A 42 -3.804 6.576 10.266 1.00 13.15 H new ATOM 0 HG13 ILE A 42 -3.072 6.436 8.680 1.00 13.15 H new ATOM 0 HG21 ILE A 42 -4.077 9.854 9.840 1.00 13.40 H new ATOM 0 HG22 ILE A 42 -5.749 9.783 9.235 1.00 13.40 H new ATOM 0 HG23 ILE A 42 -5.287 8.863 10.687 1.00 13.40 H new ATOM 0 HD11 ILE A 42 -1.518 7.404 10.280 1.00 21.11 H new ATOM 0 HD12 ILE A 42 -1.926 8.576 9.005 1.00 21.11 H new ATOM 0 HD13 ILE A 42 -2.669 8.719 10.616 1.00 21.11 H new ATOM 615 N PRO A 43 -7.909 8.228 8.869 1.00 54.40 N ATOM 616 CA PRO A 43 -9.074 8.975 8.436 1.00 21.23 C ATOM 617 C PRO A 43 -8.638 10.282 7.817 1.00 74.01 C ATOM 618 O PRO A 43 -7.962 11.070 8.484 1.00 71.34 O ATOM 619 CB PRO A 43 -9.919 9.183 9.712 1.00 52.04 C ATOM 620 CG PRO A 43 -8.942 8.923 10.877 1.00 22.41 C ATOM 621 CD PRO A 43 -7.962 7.902 10.300 1.00 1.34 C ATOM 0 HA PRO A 43 -9.656 8.458 7.673 1.00 21.23 H new ATOM 0 HB2 PRO A 43 -10.328 10.193 9.756 1.00 52.04 H new ATOM 0 HB3 PRO A 43 -10.764 8.495 9.743 1.00 52.04 H new ATOM 0 HG2 PRO A 43 -8.434 9.836 11.186 1.00 22.41 H new ATOM 0 HG3 PRO A 43 -9.458 8.533 11.754 1.00 22.41 H new ATOM 0 HD2 PRO A 43 -6.980 7.985 10.765 1.00 1.34 H new ATOM 0 HD3 PRO A 43 -8.307 6.881 10.464 1.00 1.34 H new ATOM 629 N GLN A 44 -9.020 10.494 6.542 1.00 34.24 N ATOM 630 CA GLN A 44 -8.707 11.698 5.787 1.00 51.01 C ATOM 631 C GLN A 44 -7.217 11.805 5.557 1.00 60.44 C ATOM 632 O GLN A 44 -6.700 12.894 5.296 1.00 25.03 O ATOM 633 CB GLN A 44 -9.238 13.012 6.407 1.00 42.44 C ATOM 634 CG GLN A 44 -10.754 12.982 6.670 1.00 0.04 C ATOM 635 CD GLN A 44 -11.157 14.331 7.238 1.00 74.31 C ATOM 636 OE1 GLN A 44 -10.466 14.882 8.113 1.00 12.02 O ATOM 637 NE2 GLN A 44 -12.275 14.896 6.755 1.00 60.41 N ATOM 0 H GLN A 44 -9.563 9.815 6.009 1.00 34.24 H new ATOM 0 HA GLN A 44 -9.234 11.583 4.840 1.00 51.01 H new ATOM 0 HB2 GLN A 44 -8.716 13.202 7.345 1.00 42.44 H new ATOM 0 HB3 GLN A 44 -9.007 13.842 5.739 1.00 42.44 H new ATOM 0 HG2 GLN A 44 -11.297 12.779 5.747 1.00 0.04 H new ATOM 0 HG3 GLN A 44 -11.004 12.184 7.369 1.00 0.04 H new ATOM 0 HE21 GLN A 44 -12.819 14.417 6.037 1.00 60.41 H new ATOM 0 HE22 GLN A 44 -12.580 15.804 7.106 1.00 60.41 H new ATOM 646 N GLY A 45 -6.491 10.661 5.606 1.00 2.42 N ATOM 647 CA GLY A 45 -5.115 10.641 5.178 1.00 50.04 C ATOM 648 C GLY A 45 -5.129 10.699 3.675 1.00 0.13 C ATOM 649 O GLY A 45 -6.188 10.646 3.052 1.00 5.44 O ATOM 0 H GLY A 45 -6.850 9.765 5.936 1.00 2.42 H new ATOM 0 HA2 GLY A 45 -4.568 11.488 5.593 1.00 50.04 H new ATOM 0 HA3 GLY A 45 -4.615 9.737 5.526 1.00 50.04 H new ATOM 653 N ALA A 46 -3.932 10.789 3.055 1.00 2.54 N ATOM 654 CA ALA A 46 -3.819 11.021 1.621 1.00 64.45 C ATOM 655 C ALA A 46 -4.412 9.850 0.899 1.00 74.41 C ATOM 656 O ALA A 46 -5.053 10.010 -0.126 1.00 70.24 O ATOM 657 CB ALA A 46 -2.353 11.197 1.143 1.00 22.40 C ATOM 0 H ALA A 46 -3.037 10.703 3.536 1.00 2.54 H new ATOM 0 HA ALA A 46 -4.347 11.949 1.403 1.00 64.45 H new ATOM 0 HB1 ALA A 46 -2.339 11.366 0.066 1.00 22.40 H new ATOM 0 HB2 ALA A 46 -1.905 12.051 1.650 1.00 22.40 H new ATOM 0 HB3 ALA A 46 -1.784 10.297 1.376 1.00 22.40 H new ATOM 663 N ALA A 47 -4.225 8.633 1.463 1.00 31.34 N ATOM 664 CA ALA A 47 -4.753 7.418 0.850 1.00 71.55 C ATOM 665 C ALA A 47 -6.253 7.512 0.776 1.00 21.34 C ATOM 666 O ALA A 47 -6.844 7.261 -0.251 1.00 30.21 O ATOM 667 CB ALA A 47 -4.422 6.143 1.658 1.00 4.51 C ATOM 0 H ALA A 47 -3.716 8.480 2.333 1.00 31.34 H new ATOM 0 HA ALA A 47 -4.290 7.341 -0.134 1.00 71.55 H new ATOM 0 HB1 ALA A 47 -4.841 5.273 1.152 1.00 4.51 H new ATOM 0 HB2 ALA A 47 -3.340 6.032 1.736 1.00 4.51 H new ATOM 0 HB3 ALA A 47 -4.851 6.224 2.657 1.00 4.51 H new ATOM 673 N GLU A 48 -6.888 7.865 1.898 1.00 0.33 N ATOM 674 CA GLU A 48 -8.337 7.857 1.985 1.00 71.33 C ATOM 675 C GLU A 48 -8.916 8.977 1.143 1.00 71.13 C ATOM 676 O GLU A 48 -9.985 8.828 0.539 1.00 74.04 O ATOM 677 CB GLU A 48 -8.855 7.997 3.417 1.00 53.10 C ATOM 678 CG GLU A 48 -10.279 7.470 3.579 1.00 20.41 C ATOM 679 CD GLU A 48 -10.615 7.512 5.027 1.00 41.51 C ATOM 680 OE1 GLU A 48 -10.719 8.619 5.571 1.00 1.41 O ATOM 681 OE2 GLU A 48 -10.786 6.437 5.635 1.00 23.33 O ATOM 0 H GLU A 48 -6.415 8.158 2.753 1.00 0.33 H new ATOM 0 HA GLU A 48 -8.660 6.885 1.612 1.00 71.33 H new ATOM 0 HB2 GLU A 48 -8.192 7.457 4.094 1.00 53.10 H new ATOM 0 HB3 GLU A 48 -8.824 9.046 3.710 1.00 53.10 H new ATOM 0 HG2 GLU A 48 -10.979 8.078 3.006 1.00 20.41 H new ATOM 0 HG3 GLU A 48 -10.356 6.452 3.198 1.00 20.41 H new ATOM 688 N SER A 49 -8.220 10.120 1.081 1.00 23.53 N ATOM 689 CA SER A 49 -8.679 11.257 0.299 1.00 33.12 C ATOM 690 C SER A 49 -8.592 10.888 -1.167 1.00 3.31 C ATOM 691 O SER A 49 -9.467 11.231 -1.967 1.00 35.12 O ATOM 692 CB SER A 49 -7.803 12.494 0.543 1.00 34.42 C ATOM 693 OG SER A 49 -7.846 12.829 1.932 1.00 72.21 O ATOM 0 H SER A 49 -7.336 10.274 1.567 1.00 23.53 H new ATOM 0 HA SER A 49 -9.701 11.495 0.593 1.00 33.12 H new ATOM 0 HB2 SER A 49 -6.776 12.295 0.236 1.00 34.42 H new ATOM 0 HB3 SER A 49 -8.159 13.331 -0.057 1.00 34.42 H new ATOM 0 HG SER A 49 -7.327 12.173 2.443 1.00 72.21 H new ATOM 699 N ASP A 50 -7.534 10.129 -1.528 1.00 65.43 N ATOM 700 CA ASP A 50 -7.356 9.643 -2.895 1.00 54.14 C ATOM 701 C ASP A 50 -8.467 8.648 -3.163 1.00 42.41 C ATOM 702 O ASP A 50 -9.174 8.740 -4.160 1.00 41.13 O ATOM 703 CB ASP A 50 -5.981 8.951 -3.114 1.00 44.32 C ATOM 704 CG ASP A 50 -5.843 8.579 -4.573 1.00 42.41 C ATOM 705 OD1 ASP A 50 -6.484 7.615 -4.998 1.00 50.14 O ATOM 706 OD2 ASP A 50 -5.098 9.272 -5.302 1.00 40.51 O ATOM 0 H ASP A 50 -6.796 9.845 -0.884 1.00 65.43 H new ATOM 0 HA ASP A 50 -7.388 10.493 -3.577 1.00 54.14 H new ATOM 0 HB2 ASP A 50 -5.172 9.619 -2.818 1.00 44.32 H new ATOM 0 HB3 ASP A 50 -5.904 8.061 -2.490 1.00 44.32 H new ATOM 711 N GLY A 51 -8.684 7.727 -2.217 1.00 41.31 N ATOM 712 CA GLY A 51 -9.828 6.833 -2.271 1.00 40.43 C ATOM 713 C GLY A 51 -9.526 5.610 -3.073 1.00 0.24 C ATOM 714 O GLY A 51 -10.212 4.597 -2.929 1.00 53.44 O ATOM 0 H GLY A 51 -8.078 7.588 -1.408 1.00 41.31 H new ATOM 0 HA2 GLY A 51 -10.115 6.545 -1.260 1.00 40.43 H new ATOM 0 HA3 GLY A 51 -10.680 7.355 -2.707 1.00 40.43 H new ATOM 718 N ARG A 52 -8.520 5.658 -3.965 1.00 71.43 N ATOM 719 CA ARG A 52 -8.280 4.544 -4.865 1.00 53.51 C ATOM 720 C ARG A 52 -7.688 3.420 -4.064 1.00 43.34 C ATOM 721 O ARG A 52 -8.000 2.245 -4.295 1.00 3.42 O ATOM 722 CB ARG A 52 -7.356 4.910 -6.042 1.00 70.15 C ATOM 723 CG ARG A 52 -7.221 3.827 -7.118 1.00 13.54 C ATOM 724 CD ARG A 52 -6.822 4.403 -8.488 1.00 52.13 C ATOM 725 NE ARG A 52 -8.012 5.175 -9.001 1.00 1.03 N ATOM 726 CZ ARG A 52 -7.882 6.268 -9.844 1.00 53.33 C ATOM 727 NH1 ARG A 52 -6.656 6.675 -10.276 1.00 14.21 N ATOM 728 NH2 ARG A 52 -8.991 6.946 -10.241 1.00 42.01 N ATOM 0 H ARG A 52 -7.879 6.444 -4.072 1.00 71.43 H new ATOM 0 HA ARG A 52 -9.230 4.250 -5.311 1.00 53.51 H new ATOM 0 HB2 ARG A 52 -7.730 5.821 -6.509 1.00 70.15 H new ATOM 0 HB3 ARG A 52 -6.365 5.137 -5.650 1.00 70.15 H new ATOM 0 HG2 ARG A 52 -6.475 3.098 -6.803 1.00 13.54 H new ATOM 0 HG3 ARG A 52 -8.167 3.294 -7.213 1.00 13.54 H new ATOM 0 HD2 ARG A 52 -5.951 5.052 -8.395 1.00 52.13 H new ATOM 0 HD3 ARG A 52 -6.552 3.604 -9.179 1.00 52.13 H new ATOM 0 HE ARG A 52 -8.947 4.882 -8.717 1.00 1.03 H new ATOM 0 HH11 ARG A 52 -5.819 6.174 -9.979 1.00 14.21 H new ATOM 0 HH12 ARG A 52 -6.575 7.481 -10.896 1.00 14.21 H new ATOM 0 HH21 ARG A 52 -9.912 6.650 -9.919 1.00 42.01 H new ATOM 0 HH22 ARG A 52 -8.902 7.751 -10.861 1.00 42.01 H new ATOM 742 N ILE A 53 -6.864 3.763 -3.066 1.00 45.34 N ATOM 743 CA ILE A 53 -6.343 2.771 -2.164 1.00 24.40 C ATOM 744 C ILE A 53 -7.278 2.762 -0.968 1.00 24.15 C ATOM 745 O ILE A 53 -7.719 3.822 -0.495 1.00 4.42 O ATOM 746 CB ILE A 53 -4.922 3.039 -1.742 1.00 32.14 C ATOM 747 CG1 ILE A 53 -4.055 3.065 -3.019 1.00 2.32 C ATOM 748 CG2 ILE A 53 -4.466 1.951 -0.727 1.00 13.42 C ATOM 749 CD1 ILE A 53 -2.588 3.264 -2.751 1.00 45.54 C ATOM 0 H ILE A 53 -6.555 4.717 -2.877 1.00 45.34 H new ATOM 0 HA ILE A 53 -6.304 1.801 -2.660 1.00 24.40 H new ATOM 0 HB ILE A 53 -4.823 3.998 -1.234 1.00 32.14 H new ATOM 0 HG12 ILE A 53 -4.193 2.129 -3.560 1.00 2.32 H new ATOM 0 HG13 ILE A 53 -4.408 3.864 -3.671 1.00 2.32 H new ATOM 0 HG21 ILE A 53 -3.438 2.146 -0.422 1.00 13.42 H new ATOM 0 HG22 ILE A 53 -5.115 1.975 0.149 1.00 13.42 H new ATOM 0 HG23 ILE A 53 -4.526 0.969 -1.195 1.00 13.42 H new ATOM 0 HD11 ILE A 53 -2.043 3.271 -3.695 1.00 45.54 H new ATOM 0 HD12 ILE A 53 -2.437 4.214 -2.238 1.00 45.54 H new ATOM 0 HD13 ILE A 53 -2.219 2.451 -2.125 1.00 45.54 H new ATOM 761 N HIS A 54 -7.644 1.562 -0.490 1.00 34.10 N ATOM 762 CA HIS A 54 -8.538 1.447 0.631 1.00 22.13 C ATOM 763 C HIS A 54 -8.078 0.264 1.412 1.00 51.51 C ATOM 764 O HIS A 54 -7.148 -0.432 1.007 1.00 53.14 O ATOM 765 CB HIS A 54 -10.045 1.254 0.234 1.00 4.13 C ATOM 766 CG HIS A 54 -10.433 -0.109 -0.330 1.00 42.04 C ATOM 767 ND1 HIS A 54 -9.605 -0.883 -1.096 1.00 42.24 N ATOM 768 CD2 HIS A 54 -11.607 -0.760 -0.247 1.00 54.13 C ATOM 769 CE1 HIS A 54 -10.259 -1.980 -1.444 1.00 41.32 C ATOM 770 NE2 HIS A 54 -11.484 -1.916 -0.950 1.00 15.22 N ATOM 0 H HIS A 54 -7.326 0.672 -0.873 1.00 34.10 H new ATOM 0 HA HIS A 54 -8.505 2.378 1.196 1.00 22.13 H new ATOM 0 HB2 HIS A 54 -10.657 1.445 1.116 1.00 4.13 H new ATOM 0 HB3 HIS A 54 -10.303 2.014 -0.503 1.00 4.13 H new ATOM 0 HD1 HIS A 54 -8.646 -0.654 -1.355 1.00 42.24 H new ATOM 0 HD2 HIS A 54 -12.487 -0.425 0.282 1.00 54.13 H new ATOM 0 HE1 HIS A 54 -9.859 -2.792 -2.033 1.00 41.32 H new ATOM 779 N LYS A 55 -8.720 0.001 2.567 1.00 65.32 N ATOM 780 CA LYS A 55 -8.421 -1.185 3.348 1.00 4.04 C ATOM 781 C LYS A 55 -8.873 -2.373 2.529 1.00 62.23 C ATOM 782 O LYS A 55 -9.948 -2.329 1.928 1.00 31.41 O ATOM 783 CB LYS A 55 -9.187 -1.191 4.703 1.00 53.51 C ATOM 784 CG LYS A 55 -8.939 -2.412 5.608 1.00 72.12 C ATOM 785 CD LYS A 55 -7.467 -2.620 5.981 1.00 33.41 C ATOM 786 CE LYS A 55 -7.259 -3.663 7.090 1.00 12.44 C ATOM 787 NZ LYS A 55 -7.806 -3.178 8.376 1.00 53.01 N ATOM 0 H LYS A 55 -9.443 0.599 2.967 1.00 65.32 H new ATOM 0 HA LYS A 55 -7.355 -1.215 3.572 1.00 4.04 H new ATOM 0 HB2 LYS A 55 -8.916 -0.292 5.256 1.00 53.51 H new ATOM 0 HB3 LYS A 55 -10.255 -1.128 4.495 1.00 53.51 H new ATOM 0 HG2 LYS A 55 -9.523 -2.299 6.522 1.00 72.12 H new ATOM 0 HG3 LYS A 55 -9.306 -3.306 5.104 1.00 72.12 H new ATOM 0 HD2 LYS A 55 -6.915 -2.930 5.093 1.00 33.41 H new ATOM 0 HD3 LYS A 55 -7.044 -1.669 6.303 1.00 33.41 H new ATOM 0 HE2 LYS A 55 -7.746 -4.598 6.812 1.00 12.44 H new ATOM 0 HE3 LYS A 55 -6.196 -3.877 7.199 1.00 12.44 H new ATOM 0 HZ1 LYS A 55 -7.595 -3.868 9.125 1.00 53.01 H new ATOM 0 HZ2 LYS A 55 -7.372 -2.264 8.615 1.00 53.01 H new ATOM 0 HZ3 LYS A 55 -8.836 -3.061 8.293 1.00 53.01 H new ATOM 801 N GLY A 56 -8.065 -3.454 2.472 1.00 54.14 N ATOM 802 CA GLY A 56 -8.447 -4.620 1.699 1.00 54.42 C ATOM 803 C GLY A 56 -7.523 -4.700 0.528 1.00 42.44 C ATOM 804 O GLY A 56 -7.398 -5.750 -0.105 1.00 25.50 O ATOM 0 H GLY A 56 -7.165 -3.529 2.947 1.00 54.14 H new ATOM 0 HA2 GLY A 56 -8.377 -5.523 2.306 1.00 54.42 H new ATOM 0 HA3 GLY A 56 -9.482 -4.538 1.367 1.00 54.42 H new ATOM 808 N ASP A 57 -6.847 -3.575 0.209 1.00 3.22 N ATOM 809 CA ASP A 57 -5.934 -3.540 -0.920 1.00 70.03 C ATOM 810 C ASP A 57 -4.642 -4.152 -0.491 1.00 44.24 C ATOM 811 O ASP A 57 -4.308 -4.176 0.704 1.00 12.45 O ATOM 812 CB ASP A 57 -5.619 -2.106 -1.430 1.00 64.04 C ATOM 813 CG ASP A 57 -6.744 -1.658 -2.334 1.00 31.15 C ATOM 814 OD1 ASP A 57 -7.144 -2.422 -3.225 1.00 22.42 O ATOM 815 OD2 ASP A 57 -7.253 -0.538 -2.159 1.00 61.31 O ATOM 0 H ASP A 57 -6.925 -2.696 0.720 1.00 3.22 H new ATOM 0 HA ASP A 57 -6.419 -4.079 -1.733 1.00 70.03 H new ATOM 0 HB2 ASP A 57 -5.513 -1.420 -0.589 1.00 64.04 H new ATOM 0 HB3 ASP A 57 -4.673 -2.096 -1.971 1.00 64.04 H new ATOM 820 N ARG A 58 -3.881 -4.670 -1.477 1.00 52.45 N ATOM 821 CA ARG A 58 -2.600 -5.260 -1.219 1.00 30.55 C ATOM 822 C ARG A 58 -1.641 -4.450 -2.018 1.00 11.22 C ATOM 823 O ARG A 58 -1.903 -4.170 -3.172 1.00 73.55 O ATOM 824 CB ARG A 58 -2.501 -6.709 -1.757 1.00 64.14 C ATOM 825 CG ARG A 58 -1.205 -7.456 -1.366 1.00 73.01 C ATOM 826 CD ARG A 58 -0.832 -8.557 -2.368 1.00 33.23 C ATOM 827 NE ARG A 58 -2.090 -9.311 -2.720 1.00 41.13 N ATOM 828 CZ ARG A 58 -2.363 -9.672 -4.025 1.00 2.31 C ATOM 829 NH1 ARG A 58 -1.393 -9.601 -4.986 1.00 22.02 N ATOM 830 NH2 ARG A 58 -3.610 -10.088 -4.353 1.00 14.51 N ATOM 0 H ARG A 58 -4.156 -4.680 -2.459 1.00 52.45 H new ATOM 0 HA ARG A 58 -2.413 -5.280 -0.145 1.00 30.55 H new ATOM 0 HB2 ARG A 58 -3.356 -7.277 -1.391 1.00 64.14 H new ATOM 0 HB3 ARG A 58 -2.576 -6.684 -2.844 1.00 64.14 H new ATOM 0 HG2 ARG A 58 -0.385 -6.741 -1.296 1.00 73.01 H new ATOM 0 HG3 ARG A 58 -1.329 -7.897 -0.377 1.00 73.01 H new ATOM 0 HD2 ARG A 58 -0.385 -8.123 -3.262 1.00 33.23 H new ATOM 0 HD3 ARG A 58 -0.092 -9.231 -1.936 1.00 33.23 H new ATOM 0 HE ARG A 58 -2.750 -9.558 -1.982 1.00 41.13 H new ATOM 0 HH11 ARG A 58 -0.456 -9.279 -4.742 1.00 22.02 H new ATOM 0 HH12 ARG A 58 -1.606 -9.870 -5.946 1.00 22.02 H new ATOM 0 HH21 ARG A 58 -4.337 -10.132 -3.639 1.00 14.51 H new ATOM 0 HH22 ARG A 58 -3.822 -10.357 -5.314 1.00 14.51 H new ATOM 844 N VAL A 59 -0.502 -4.077 -1.435 1.00 11.43 N ATOM 845 CA VAL A 59 0.511 -3.369 -2.153 1.00 2.44 C ATOM 846 C VAL A 59 1.525 -4.422 -2.514 1.00 31.14 C ATOM 847 O VAL A 59 1.755 -5.364 -1.744 1.00 43.31 O ATOM 848 CB VAL A 59 1.205 -2.285 -1.311 1.00 4.31 C ATOM 849 CG1 VAL A 59 2.034 -1.359 -2.243 1.00 61.33 C ATOM 850 CG2 VAL A 59 0.129 -1.515 -0.508 1.00 70.32 C ATOM 0 H VAL A 59 -0.274 -4.264 -0.459 1.00 11.43 H new ATOM 0 HA VAL A 59 0.073 -2.853 -3.007 1.00 2.44 H new ATOM 0 HB VAL A 59 1.901 -2.726 -0.597 1.00 4.31 H new ATOM 0 HG11 VAL A 59 2.526 -0.590 -1.648 1.00 61.33 H new ATOM 0 HG12 VAL A 59 2.786 -1.949 -2.767 1.00 61.33 H new ATOM 0 HG13 VAL A 59 1.372 -0.887 -2.969 1.00 61.33 H new ATOM 0 HG21 VAL A 59 0.608 -0.743 0.094 1.00 70.32 H new ATOM 0 HG22 VAL A 59 -0.577 -1.052 -1.197 1.00 70.32 H new ATOM 0 HG23 VAL A 59 -0.402 -2.207 0.145 1.00 70.32 H new ATOM 860 N LEU A 60 2.132 -4.306 -3.696 1.00 54.30 N ATOM 861 CA LEU A 60 3.177 -5.228 -4.063 1.00 60.25 C ATOM 862 C LEU A 60 4.414 -4.430 -4.265 1.00 63.02 C ATOM 863 O LEU A 60 5.483 -4.791 -3.764 1.00 42.41 O ATOM 864 CB LEU A 60 2.908 -6.079 -5.335 1.00 65.12 C ATOM 865 CG LEU A 60 2.169 -5.375 -6.481 1.00 31.31 C ATOM 866 CD1 LEU A 60 2.605 -5.911 -7.836 1.00 24.23 C ATOM 867 CD2 LEU A 60 0.653 -5.448 -6.315 1.00 71.53 C ATOM 0 H LEU A 60 1.916 -3.595 -4.394 1.00 54.30 H new ATOM 0 HA LEU A 60 3.253 -5.955 -3.254 1.00 60.25 H new ATOM 0 HB2 LEU A 60 3.864 -6.438 -5.715 1.00 65.12 H new ATOM 0 HB3 LEU A 60 2.331 -6.956 -5.044 1.00 65.12 H new ATOM 0 HG LEU A 60 2.445 -4.321 -6.438 1.00 31.31 H new ATOM 0 HD11 LEU A 60 2.062 -5.391 -8.625 1.00 24.23 H new ATOM 0 HD12 LEU A 60 3.675 -5.749 -7.964 1.00 24.23 H new ATOM 0 HD13 LEU A 60 2.391 -6.978 -7.891 1.00 24.23 H new ATOM 0 HD21 LEU A 60 0.171 -4.937 -7.148 1.00 71.53 H new ATOM 0 HD22 LEU A 60 0.339 -6.492 -6.298 1.00 71.53 H new ATOM 0 HD23 LEU A 60 0.366 -4.968 -5.380 1.00 71.53 H new ATOM 879 N ALA A 61 4.312 -3.319 -5.004 1.00 20.02 N ATOM 880 CA ALA A 61 5.504 -2.583 -5.325 1.00 0.02 C ATOM 881 C ALA A 61 5.304 -1.153 -5.011 1.00 61.00 C ATOM 882 O ALA A 61 4.192 -0.676 -4.791 1.00 34.21 O ATOM 883 CB ALA A 61 5.939 -2.688 -6.806 1.00 63.40 C ATOM 0 H ALA A 61 3.442 -2.934 -5.372 1.00 20.02 H new ATOM 0 HA ALA A 61 6.294 -3.031 -4.722 1.00 0.02 H new ATOM 0 HB1 ALA A 61 6.846 -2.104 -6.961 1.00 63.40 H new ATOM 0 HB2 ALA A 61 6.133 -3.731 -7.055 1.00 63.40 H new ATOM 0 HB3 ALA A 61 5.145 -2.303 -7.446 1.00 63.40 H new ATOM 889 N VAL A 62 6.435 -0.459 -4.983 1.00 15.23 N ATOM 890 CA VAL A 62 6.497 0.938 -4.700 1.00 54.31 C ATOM 891 C VAL A 62 7.554 1.429 -5.614 1.00 40.51 C ATOM 892 O VAL A 62 8.693 1.041 -5.489 1.00 72.43 O ATOM 893 CB VAL A 62 6.903 1.271 -3.262 1.00 72.02 C ATOM 894 CG1 VAL A 62 6.928 2.813 -3.089 1.00 63.11 C ATOM 895 CG2 VAL A 62 5.911 0.574 -2.302 1.00 64.14 C ATOM 0 H VAL A 62 7.347 -0.878 -5.163 1.00 15.23 H new ATOM 0 HA VAL A 62 5.514 1.390 -4.830 1.00 54.31 H new ATOM 0 HB VAL A 62 7.903 0.906 -3.029 1.00 72.02 H new ATOM 0 HG11 VAL A 62 7.216 3.060 -2.067 1.00 63.11 H new ATOM 0 HG12 VAL A 62 7.648 3.245 -3.784 1.00 63.11 H new ATOM 0 HG13 VAL A 62 5.937 3.218 -3.294 1.00 63.11 H new ATOM 0 HG21 VAL A 62 6.183 0.799 -1.271 1.00 64.14 H new ATOM 0 HG22 VAL A 62 4.901 0.935 -2.498 1.00 64.14 H new ATOM 0 HG23 VAL A 62 5.948 -0.504 -2.460 1.00 64.14 H new ATOM 905 N ASN A 63 7.169 2.253 -6.597 1.00 12.42 N ATOM 906 CA ASN A 63 8.102 2.800 -7.601 1.00 40.45 C ATOM 907 C ASN A 63 8.880 1.674 -8.276 1.00 60.42 C ATOM 908 O ASN A 63 10.026 1.860 -8.696 1.00 63.24 O ATOM 909 CB ASN A 63 9.120 3.853 -7.045 1.00 73.11 C ATOM 910 CG ASN A 63 8.363 5.118 -6.633 1.00 22.44 C ATOM 911 OD1 ASN A 63 7.248 5.368 -7.094 1.00 32.24 O ATOM 912 ND2 ASN A 63 8.969 5.943 -5.756 1.00 53.43 N ATOM 0 H ASN A 63 6.205 2.561 -6.722 1.00 12.42 H new ATOM 0 HA ASN A 63 7.467 3.325 -8.315 1.00 40.45 H new ATOM 0 HB2 ASN A 63 9.656 3.441 -6.190 1.00 73.11 H new ATOM 0 HB3 ASN A 63 9.865 4.092 -7.804 1.00 73.11 H new ATOM 0 HD21 ASN A 63 8.504 6.800 -5.457 1.00 53.43 H new ATOM 0 HD22 ASN A 63 9.893 5.710 -5.391 1.00 53.43 H new ATOM 919 N GLY A 64 8.264 0.473 -8.417 1.00 52.25 N ATOM 920 CA GLY A 64 8.904 -0.622 -9.139 1.00 62.21 C ATOM 921 C GLY A 64 9.844 -1.363 -8.231 1.00 23.24 C ATOM 922 O GLY A 64 10.625 -2.197 -8.696 1.00 11.12 O ATOM 0 H GLY A 64 7.341 0.254 -8.042 1.00 52.25 H new ATOM 0 HA2 GLY A 64 8.147 -1.304 -9.525 1.00 62.21 H new ATOM 0 HA3 GLY A 64 9.449 -0.231 -9.998 1.00 62.21 H new ATOM 926 N VAL A 65 9.785 -1.098 -6.914 1.00 12.04 N ATOM 927 CA VAL A 65 10.628 -1.797 -5.988 1.00 60.12 C ATOM 928 C VAL A 65 9.774 -2.896 -5.454 1.00 72.32 C ATOM 929 O VAL A 65 8.673 -2.642 -4.970 1.00 1.15 O ATOM 930 CB VAL A 65 11.101 -0.927 -4.815 1.00 1.21 C ATOM 931 CG1 VAL A 65 11.957 -1.778 -3.842 1.00 0.12 C ATOM 932 CG2 VAL A 65 11.872 0.284 -5.389 1.00 70.30 C ATOM 0 H VAL A 65 9.163 -0.409 -6.492 1.00 12.04 H new ATOM 0 HA VAL A 65 11.533 -2.133 -6.494 1.00 60.12 H new ATOM 0 HB VAL A 65 10.257 -0.549 -4.238 1.00 1.21 H new ATOM 0 HG11 VAL A 65 12.290 -1.156 -3.011 1.00 0.12 H new ATOM 0 HG12 VAL A 65 11.359 -2.605 -3.459 1.00 0.12 H new ATOM 0 HG13 VAL A 65 12.825 -2.173 -4.371 1.00 0.12 H new ATOM 0 HG21 VAL A 65 12.217 0.916 -4.571 1.00 70.30 H new ATOM 0 HG22 VAL A 65 12.729 -0.069 -5.962 1.00 70.30 H new ATOM 0 HG23 VAL A 65 11.213 0.860 -6.039 1.00 70.30 H new ATOM 942 N SER A 66 10.259 -4.148 -5.570 1.00 24.03 N ATOM 943 CA SER A 66 9.583 -5.286 -4.985 1.00 54.13 C ATOM 944 C SER A 66 9.604 -5.104 -3.491 1.00 21.14 C ATOM 945 O SER A 66 10.651 -5.267 -2.842 1.00 15.41 O ATOM 946 CB SER A 66 10.274 -6.633 -5.299 1.00 33.31 C ATOM 947 OG SER A 66 10.347 -6.853 -6.718 1.00 62.44 O ATOM 0 H SER A 66 11.119 -4.380 -6.067 1.00 24.03 H new ATOM 0 HA SER A 66 8.577 -5.325 -5.403 1.00 54.13 H new ATOM 0 HB2 SER A 66 11.278 -6.639 -4.874 1.00 33.31 H new ATOM 0 HB3 SER A 66 9.723 -7.447 -4.828 1.00 33.31 H new ATOM 0 HG SER A 66 10.789 -7.710 -6.894 1.00 62.44 H new ATOM 953 N LEU A 67 8.453 -4.715 -2.917 1.00 25.23 N ATOM 954 CA LEU A 67 8.380 -4.454 -1.505 1.00 62.52 C ATOM 955 C LEU A 67 7.985 -5.726 -0.834 1.00 51.44 C ATOM 956 O LEU A 67 8.244 -5.919 0.329 1.00 12.12 O ATOM 957 CB LEU A 67 7.348 -3.355 -1.143 1.00 54.21 C ATOM 958 CG LEU A 67 7.975 -2.188 -0.358 1.00 3.24 C ATOM 959 CD1 LEU A 67 8.541 -2.630 0.998 1.00 3.24 C ATOM 960 CD2 LEU A 67 9.014 -1.417 -1.180 1.00 74.33 C ATOM 0 H LEU A 67 7.577 -4.581 -3.421 1.00 25.23 H new ATOM 0 HA LEU A 67 9.354 -4.093 -1.174 1.00 62.52 H new ATOM 0 HB2 LEU A 67 6.896 -2.971 -2.058 1.00 54.21 H new ATOM 0 HB3 LEU A 67 6.546 -3.796 -0.552 1.00 54.21 H new ATOM 0 HG LEU A 67 7.159 -1.495 -0.151 1.00 3.24 H new ATOM 0 HD11 LEU A 67 8.971 -1.770 1.511 1.00 3.24 H new ATOM 0 HD12 LEU A 67 7.741 -3.052 1.606 1.00 3.24 H new ATOM 0 HD13 LEU A 67 9.314 -3.383 0.842 1.00 3.24 H new ATOM 0 HD21 LEU A 67 9.424 -0.606 -0.579 1.00 74.33 H new ATOM 0 HD22 LEU A 67 9.818 -2.092 -1.476 1.00 74.33 H new ATOM 0 HD23 LEU A 67 8.540 -1.005 -2.071 1.00 74.33 H new ATOM 972 N GLU A 68 7.371 -6.650 -1.590 1.00 42.54 N ATOM 973 CA GLU A 68 7.028 -7.957 -1.062 1.00 73.41 C ATOM 974 C GLU A 68 8.308 -8.654 -0.650 1.00 61.15 C ATOM 975 O GLU A 68 9.382 -8.401 -1.210 1.00 73.45 O ATOM 976 CB GLU A 68 6.234 -8.840 -2.030 1.00 24.23 C ATOM 977 CG GLU A 68 4.901 -8.194 -2.423 1.00 44.14 C ATOM 978 CD GLU A 68 4.228 -9.073 -3.431 1.00 35.34 C ATOM 979 OE1 GLU A 68 4.709 -9.127 -4.589 1.00 35.34 O ATOM 980 OE2 GLU A 68 3.226 -9.731 -3.076 1.00 64.51 O ATOM 0 H GLU A 68 7.107 -6.506 -2.565 1.00 42.54 H new ATOM 0 HA GLU A 68 6.366 -7.798 -0.211 1.00 73.41 H new ATOM 0 HB2 GLU A 68 6.828 -9.023 -2.926 1.00 24.23 H new ATOM 0 HB3 GLU A 68 6.046 -9.809 -1.568 1.00 24.23 H new ATOM 0 HG2 GLU A 68 4.267 -8.069 -1.545 1.00 44.14 H new ATOM 0 HG3 GLU A 68 5.069 -7.200 -2.839 1.00 44.14 H new ATOM 987 N GLY A 69 8.229 -9.463 0.417 1.00 35.43 N ATOM 988 CA GLY A 69 9.420 -10.051 1.008 1.00 34.15 C ATOM 989 C GLY A 69 9.990 -9.120 2.044 1.00 51.31 C ATOM 990 O GLY A 69 10.544 -9.576 3.049 1.00 2.44 O ATOM 0 H GLY A 69 7.356 -9.718 0.879 1.00 35.43 H new ATOM 0 HA2 GLY A 69 9.175 -11.010 1.464 1.00 34.15 H new ATOM 0 HA3 GLY A 69 10.162 -10.246 0.234 1.00 34.15 H new ATOM 994 N ALA A 70 9.905 -7.781 1.816 1.00 73.52 N ATOM 995 CA ALA A 70 10.488 -6.829 2.747 1.00 61.40 C ATOM 996 C ALA A 70 9.698 -6.871 4.006 1.00 34.24 C ATOM 997 O ALA A 70 8.603 -7.384 4.034 1.00 52.43 O ATOM 998 CB ALA A 70 10.516 -5.375 2.254 1.00 53.14 C ATOM 0 H ALA A 70 9.445 -7.362 1.008 1.00 73.52 H new ATOM 0 HA ALA A 70 11.528 -7.129 2.878 1.00 61.40 H new ATOM 0 HB1 ALA A 70 10.968 -4.741 3.016 1.00 53.14 H new ATOM 0 HB2 ALA A 70 11.101 -5.313 1.337 1.00 53.14 H new ATOM 0 HB3 ALA A 70 9.498 -5.037 2.059 1.00 53.14 H new ATOM 1004 N THR A 71 10.268 -6.372 5.093 1.00 52.31 N ATOM 1005 CA THR A 71 9.645 -6.535 6.367 1.00 62.43 C ATOM 1006 C THR A 71 8.504 -5.543 6.498 1.00 23.22 C ATOM 1007 O THR A 71 8.355 -4.615 5.695 1.00 55.42 O ATOM 1008 CB THR A 71 10.616 -6.353 7.508 1.00 54.14 C ATOM 1009 OG1 THR A 71 11.322 -5.109 7.386 1.00 24.25 O ATOM 1010 CG2 THR A 71 11.623 -7.509 7.453 1.00 12.04 C ATOM 0 H THR A 71 11.150 -5.859 5.104 1.00 52.31 H new ATOM 0 HA THR A 71 9.268 -7.556 6.425 1.00 62.43 H new ATOM 0 HB THR A 71 10.072 -6.345 8.453 1.00 54.14 H new ATOM 0 HG1 THR A 71 11.944 -5.011 8.137 1.00 24.25 H new ATOM 0 HG21 THR A 71 12.340 -7.406 8.267 1.00 12.04 H new ATOM 0 HG22 THR A 71 11.094 -8.457 7.553 1.00 12.04 H new ATOM 0 HG23 THR A 71 12.151 -7.487 6.500 1.00 12.04 H new ATOM 1018 N HIS A 72 7.672 -5.744 7.549 1.00 43.23 N ATOM 1019 CA HIS A 72 6.543 -4.875 7.819 1.00 44.42 C ATOM 1020 C HIS A 72 7.075 -3.503 8.118 1.00 63.05 C ATOM 1021 O HIS A 72 6.562 -2.519 7.616 1.00 52.23 O ATOM 1022 CB HIS A 72 5.622 -5.361 8.983 1.00 44.34 C ATOM 1023 CG HIS A 72 6.308 -5.532 10.326 1.00 12.51 C ATOM 1024 ND1 HIS A 72 6.399 -4.519 11.250 1.00 43.02 N ATOM 1025 CD2 HIS A 72 6.895 -6.616 10.867 1.00 1.43 C ATOM 1026 CE1 HIS A 72 7.034 -4.989 12.324 1.00 41.25 C ATOM 1027 NE2 HIS A 72 7.345 -6.264 12.107 1.00 11.14 N ATOM 0 H HIS A 72 7.778 -6.509 8.215 1.00 43.23 H new ATOM 0 HA HIS A 72 5.908 -4.879 6.933 1.00 44.42 H new ATOM 0 HB2 HIS A 72 4.805 -4.649 9.099 1.00 44.34 H new ATOM 0 HB3 HIS A 72 5.176 -6.314 8.698 1.00 44.34 H new ATOM 0 HD2 HIS A 72 6.992 -7.587 10.404 1.00 1.43 H new ATOM 0 HE1 HIS A 72 7.258 -4.429 13.220 1.00 41.25 H new ATOM 0 HE2 HIS A 72 7.837 -6.876 12.758 1.00 11.14 H new ATOM 1036 N LYS A 73 8.180 -3.429 8.919 1.00 2.42 N ATOM 1037 CA LYS A 73 8.856 -2.159 9.171 1.00 74.33 C ATOM 1038 C LYS A 73 9.255 -1.525 7.870 1.00 72.23 C ATOM 1039 O LYS A 73 8.974 -0.370 7.656 1.00 31.50 O ATOM 1040 CB LYS A 73 10.142 -2.287 10.011 1.00 52.41 C ATOM 1041 CG LYS A 73 9.890 -2.527 11.504 1.00 54.42 C ATOM 1042 CD LYS A 73 11.178 -2.689 12.322 1.00 54.41 C ATOM 1043 CE LYS A 73 12.190 -1.534 12.135 1.00 32.32 C ATOM 1044 NZ LYS A 73 13.386 -1.746 12.967 1.00 22.12 N ATOM 0 H LYS A 73 8.601 -4.232 9.386 1.00 2.42 H new ATOM 0 HA LYS A 73 8.136 -1.560 9.729 1.00 74.33 H new ATOM 0 HB2 LYS A 73 10.741 -3.108 9.617 1.00 52.41 H new ATOM 0 HB3 LYS A 73 10.732 -1.378 9.894 1.00 52.41 H new ATOM 0 HG2 LYS A 73 9.316 -1.693 11.906 1.00 54.42 H new ATOM 0 HG3 LYS A 73 9.279 -3.422 11.622 1.00 54.42 H new ATOM 0 HD2 LYS A 73 10.919 -2.764 13.378 1.00 54.41 H new ATOM 0 HD3 LYS A 73 11.658 -3.628 12.044 1.00 54.41 H new ATOM 0 HE2 LYS A 73 12.479 -1.464 11.086 1.00 32.32 H new ATOM 0 HE3 LYS A 73 11.720 -0.587 12.400 1.00 32.32 H new ATOM 0 HZ1 LYS A 73 14.051 -0.959 12.826 1.00 22.12 H new ATOM 0 HZ2 LYS A 73 13.109 -1.789 13.968 1.00 22.12 H new ATOM 0 HZ3 LYS A 73 13.844 -2.639 12.695 1.00 22.12 H new ATOM 1058 N GLN A 74 9.938 -2.273 6.967 1.00 64.40 N ATOM 1059 CA GLN A 74 10.511 -1.681 5.762 1.00 40.23 C ATOM 1060 C GLN A 74 9.406 -1.166 4.889 1.00 50.31 C ATOM 1061 O GLN A 74 9.535 -0.131 4.259 1.00 64.02 O ATOM 1062 CB GLN A 74 11.306 -2.723 4.939 1.00 23.15 C ATOM 1063 CG GLN A 74 12.075 -2.146 3.726 1.00 12.04 C ATOM 1064 CD GLN A 74 13.087 -1.126 4.231 1.00 24.13 C ATOM 1065 OE1 GLN A 74 13.134 0.010 3.755 1.00 50.52 O ATOM 1066 NE2 GLN A 74 13.911 -1.522 5.214 1.00 23.34 N ATOM 0 H GLN A 74 10.097 -3.276 7.061 1.00 64.40 H new ATOM 0 HA GLN A 74 11.181 -0.881 6.076 1.00 40.23 H new ATOM 0 HB2 GLN A 74 12.017 -3.220 5.599 1.00 23.15 H new ATOM 0 HB3 GLN A 74 10.615 -3.487 4.583 1.00 23.15 H new ATOM 0 HG2 GLN A 74 12.582 -2.945 3.185 1.00 12.04 H new ATOM 0 HG3 GLN A 74 11.382 -1.677 3.027 1.00 12.04 H new ATOM 0 HE21 GLN A 74 13.844 -2.470 5.585 1.00 23.34 H new ATOM 0 HE22 GLN A 74 14.604 -0.875 5.590 1.00 23.34 H new ATOM 1075 N ALA A 75 8.282 -1.896 4.847 1.00 73.34 N ATOM 1076 CA ALA A 75 7.127 -1.512 4.047 1.00 63.24 C ATOM 1077 C ALA A 75 6.658 -0.139 4.481 1.00 63.32 C ATOM 1078 O ALA A 75 6.297 0.694 3.654 1.00 44.02 O ATOM 1079 CB ALA A 75 5.967 -2.503 4.191 1.00 51.12 C ATOM 0 H ALA A 75 8.156 -2.764 5.367 1.00 73.34 H new ATOM 0 HA ALA A 75 7.435 -1.508 3.001 1.00 63.24 H new ATOM 0 HB1 ALA A 75 5.129 -2.174 3.576 1.00 51.12 H new ATOM 0 HB2 ALA A 75 6.290 -3.492 3.865 1.00 51.12 H new ATOM 0 HB3 ALA A 75 5.655 -2.549 5.234 1.00 51.12 H new ATOM 1085 N VAL A 76 6.703 0.125 5.796 1.00 64.25 N ATOM 1086 CA VAL A 76 6.311 1.416 6.319 1.00 43.24 C ATOM 1087 C VAL A 76 7.423 2.414 5.968 1.00 73.32 C ATOM 1088 O VAL A 76 7.146 3.469 5.386 1.00 45.40 O ATOM 1089 CB VAL A 76 6.075 1.405 7.830 1.00 44.15 C ATOM 1090 CG1 VAL A 76 5.707 2.824 8.295 1.00 13.23 C ATOM 1091 CG2 VAL A 76 4.962 0.381 8.146 1.00 51.02 C ATOM 0 H VAL A 76 7.007 -0.544 6.503 1.00 64.25 H new ATOM 0 HA VAL A 76 5.359 1.698 5.869 1.00 43.24 H new ATOM 0 HB VAL A 76 6.975 1.107 8.368 1.00 44.15 H new ATOM 0 HG11 VAL A 76 5.538 2.822 9.372 1.00 13.23 H new ATOM 0 HG12 VAL A 76 6.522 3.508 8.057 1.00 13.23 H new ATOM 0 HG13 VAL A 76 4.800 3.150 7.786 1.00 13.23 H new ATOM 0 HG21 VAL A 76 4.781 0.360 9.221 1.00 51.02 H new ATOM 0 HG22 VAL A 76 4.046 0.668 7.629 1.00 51.02 H new ATOM 0 HG23 VAL A 76 5.273 -0.609 7.811 1.00 51.02 H new ATOM 1101 N CYS A 77 8.717 2.074 6.334 1.00 4.10 N ATOM 1102 CA CYS A 77 9.887 3.045 6.141 1.00 14.32 C ATOM 1103 C CYS A 77 9.908 3.517 4.686 1.00 44.45 C ATOM 1104 O CYS A 77 10.560 4.476 4.333 1.00 70.21 O ATOM 1105 CB CYS A 77 11.283 2.419 6.423 1.00 20.00 C ATOM 1106 SG CYS A 77 11.414 1.610 8.053 1.00 14.10 S ATOM 0 H CYS A 77 8.976 1.178 6.747 1.00 4.10 H new ATOM 0 HA CYS A 77 9.723 3.852 6.855 1.00 14.32 H new ATOM 0 HB2 CYS A 77 11.506 1.688 5.646 1.00 20.00 H new ATOM 0 HB3 CYS A 77 12.041 3.199 6.353 1.00 20.00 H new ATOM 1111 N THR A 78 9.400 2.660 3.783 1.00 75.13 N ATOM 1112 CA THR A 78 9.469 2.933 2.367 1.00 72.42 C ATOM 1113 C THR A 78 8.585 4.121 2.099 1.00 73.43 C ATOM 1114 O THR A 78 9.042 5.132 1.599 1.00 2.11 O ATOM 1115 CB THR A 78 9.016 1.766 1.508 1.00 24.44 C ATOM 1116 OG1 THR A 78 9.864 0.644 1.753 1.00 54.54 O ATOM 1117 CG2 THR A 78 9.111 2.172 0.011 1.00 5.41 C ATOM 0 H THR A 78 8.942 1.781 4.023 1.00 75.13 H new ATOM 0 HA THR A 78 10.510 3.121 2.103 1.00 72.42 H new ATOM 0 HB THR A 78 7.987 1.503 1.752 1.00 24.44 H new ATOM 0 HG1 THR A 78 9.914 0.476 2.717 1.00 54.54 H new ATOM 0 HG21 THR A 78 8.787 1.339 -0.613 1.00 5.41 H new ATOM 0 HG22 THR A 78 8.470 3.034 -0.174 1.00 5.41 H new ATOM 0 HG23 THR A 78 10.142 2.428 -0.232 1.00 5.41 H new ATOM 1125 N LEU A 79 7.295 4.013 2.485 1.00 42.44 N ATOM 1126 CA LEU A 79 6.308 5.053 2.222 1.00 3.03 C ATOM 1127 C LEU A 79 6.799 6.351 2.823 1.00 20.15 C ATOM 1128 O LEU A 79 6.966 7.327 2.136 1.00 65.32 O ATOM 1129 CB LEU A 79 4.936 4.702 2.851 1.00 3.53 C ATOM 1130 CG LEU A 79 4.383 3.332 2.371 1.00 41.21 C ATOM 1131 CD1 LEU A 79 3.208 2.831 3.228 1.00 63.42 C ATOM 1132 CD2 LEU A 79 4.078 3.300 0.856 1.00 2.22 C ATOM 0 H LEU A 79 6.923 3.205 2.983 1.00 42.44 H new ATOM 0 HA LEU A 79 6.180 5.143 1.143 1.00 3.03 H new ATOM 0 HB2 LEU A 79 5.033 4.689 3.937 1.00 3.53 H new ATOM 0 HB3 LEU A 79 4.218 5.484 2.604 1.00 3.53 H new ATOM 0 HG LEU A 79 5.191 2.617 2.523 1.00 41.21 H new ATOM 0 HD11 LEU A 79 2.863 1.870 2.846 1.00 63.42 H new ATOM 0 HD12 LEU A 79 3.535 2.714 4.261 1.00 63.42 H new ATOM 0 HD13 LEU A 79 2.392 3.553 3.185 1.00 63.42 H new ATOM 0 HD21 LEU A 79 3.695 2.317 0.583 1.00 2.22 H new ATOM 0 HD22 LEU A 79 3.332 4.059 0.619 1.00 2.22 H new ATOM 0 HD23 LEU A 79 4.991 3.502 0.297 1.00 2.22 H new ATOM 1144 N ARG A 80 7.071 6.334 4.123 1.00 34.11 N ATOM 1145 CA ARG A 80 7.640 7.491 4.838 1.00 11.04 C ATOM 1146 C ARG A 80 8.844 8.134 4.131 1.00 34.33 C ATOM 1147 O ARG A 80 9.096 9.321 4.333 1.00 43.33 O ATOM 1148 CB ARG A 80 8.077 7.147 6.257 1.00 50.51 C ATOM 1149 CG ARG A 80 6.941 6.617 7.120 1.00 41.24 C ATOM 1150 CD ARG A 80 7.398 6.372 8.545 1.00 60.34 C ATOM 1151 NE ARG A 80 6.249 5.888 9.352 1.00 64.14 N ATOM 1152 CZ ARG A 80 6.447 5.438 10.625 1.00 44.42 C ATOM 1153 NH1 ARG A 80 7.699 5.455 11.175 1.00 22.05 N ATOM 1154 NH2 ARG A 80 5.393 4.972 11.329 1.00 43.21 N ATOM 0 H ARG A 80 6.907 5.522 4.719 1.00 34.11 H new ATOM 0 HA ARG A 80 6.816 8.204 4.855 1.00 11.04 H new ATOM 0 HB2 ARG A 80 8.872 6.402 6.215 1.00 50.51 H new ATOM 0 HB3 ARG A 80 8.498 8.036 6.727 1.00 50.51 H new ATOM 0 HG2 ARG A 80 6.117 7.330 7.118 1.00 41.24 H new ATOM 0 HG3 ARG A 80 6.560 5.689 6.694 1.00 41.24 H new ATOM 0 HD2 ARG A 80 8.203 5.637 8.560 1.00 60.34 H new ATOM 0 HD3 ARG A 80 7.797 7.291 8.974 1.00 60.34 H new ATOM 0 HE ARG A 80 5.310 5.892 8.954 1.00 64.14 H new ATOM 0 HH11 ARG A 80 8.489 5.805 10.633 1.00 22.05 H new ATOM 0 HH12 ARG A 80 7.843 5.118 12.127 1.00 22.05 H new ATOM 0 HH21 ARG A 80 4.464 4.960 10.908 1.00 43.21 H new ATOM 0 HH22 ARG A 80 5.526 4.632 12.282 1.00 43.21 H new ATOM 1168 N ASN A 81 9.620 7.386 3.322 1.00 60.54 N ATOM 1169 CA ASN A 81 10.823 7.966 2.711 1.00 62.30 C ATOM 1170 C ASN A 81 10.516 8.339 1.264 1.00 74.43 C ATOM 1171 O ASN A 81 11.408 8.763 0.525 1.00 12.11 O ATOM 1172 CB ASN A 81 12.033 6.991 2.719 1.00 30.53 C ATOM 1173 CG ASN A 81 13.300 7.759 2.311 1.00 41.55 C ATOM 1174 OD1 ASN A 81 13.613 8.798 2.885 1.00 73.23 O ATOM 1175 ND2 ASN A 81 14.036 7.252 1.311 1.00 3.34 N ATOM 0 H ASN A 81 9.441 6.410 3.084 1.00 60.54 H new ATOM 0 HA ASN A 81 11.095 8.840 3.303 1.00 62.30 H new ATOM 0 HB2 ASN A 81 12.159 6.557 3.711 1.00 30.53 H new ATOM 0 HB3 ASN A 81 11.855 6.165 2.030 1.00 30.53 H new ATOM 0 HD21 ASN A 81 14.883 7.732 1.007 1.00 3.34 H new ATOM 0 HD22 ASN A 81 13.749 6.386 0.854 1.00 3.34 H new ATOM 1182 N THR A 82 9.255 8.193 0.817 1.00 73.12 N ATOM 1183 CA THR A 82 8.934 8.531 -0.560 1.00 1.42 C ATOM 1184 C THR A 82 8.653 10.025 -0.635 1.00 70.40 C ATOM 1185 O THR A 82 8.565 10.721 0.397 1.00 10.41 O ATOM 1186 CB THR A 82 7.773 7.742 -1.169 1.00 71.03 C ATOM 1187 OG1 THR A 82 6.597 7.788 -0.345 1.00 12.53 O ATOM 1188 CG2 THR A 82 8.211 6.285 -1.408 1.00 71.23 C ATOM 0 H THR A 82 8.473 7.854 1.377 1.00 73.12 H new ATOM 0 HA THR A 82 9.800 8.251 -1.159 1.00 1.42 H new ATOM 0 HB THR A 82 7.511 8.206 -2.120 1.00 71.03 H new ATOM 0 HG1 THR A 82 6.768 7.315 0.496 1.00 12.53 H new ATOM 0 HG21 THR A 82 7.384 5.723 -1.842 1.00 71.23 H new ATOM 0 HG22 THR A 82 9.060 6.268 -2.092 1.00 71.23 H new ATOM 0 HG23 THR A 82 8.500 5.832 -0.460 1.00 71.23 H new ATOM 1196 N GLY A 83 8.540 10.529 -1.876 1.00 65.14 N ATOM 1197 CA GLY A 83 8.386 11.940 -2.129 1.00 34.02 C ATOM 1198 C GLY A 83 6.929 12.261 -2.181 1.00 43.20 C ATOM 1199 O GLY A 83 6.101 11.611 -1.522 1.00 12.14 O ATOM 0 H GLY A 83 8.555 9.956 -2.720 1.00 65.14 H new ATOM 0 HA2 GLY A 83 8.873 12.520 -1.345 1.00 34.02 H new ATOM 0 HA3 GLY A 83 8.866 12.210 -3.070 1.00 34.02 H new ATOM 1203 N GLN A 84 6.576 13.307 -2.963 1.00 23.13 N ATOM 1204 CA GLN A 84 5.244 13.838 -2.957 1.00 32.15 C ATOM 1205 C GLN A 84 4.402 12.973 -3.819 1.00 63.53 C ATOM 1206 O GLN A 84 3.288 12.661 -3.464 1.00 64.32 O ATOM 1207 CB GLN A 84 5.139 15.286 -3.509 1.00 13.55 C ATOM 1208 CG GLN A 84 3.738 15.912 -3.286 1.00 44.13 C ATOM 1209 CD GLN A 84 3.648 17.231 -4.039 1.00 24.43 C ATOM 1210 OE1 GLN A 84 2.731 17.433 -4.827 1.00 35.20 O ATOM 1211 NE2 GLN A 84 4.604 18.141 -3.805 1.00 13.02 N ATOM 0 H GLN A 84 7.216 13.783 -3.599 1.00 23.13 H new ATOM 0 HA GLN A 84 4.919 13.861 -1.917 1.00 32.15 H new ATOM 0 HB2 GLN A 84 5.892 15.910 -3.027 1.00 13.55 H new ATOM 0 HB3 GLN A 84 5.365 15.281 -4.575 1.00 13.55 H new ATOM 0 HG2 GLN A 84 2.963 15.229 -3.633 1.00 44.13 H new ATOM 0 HG3 GLN A 84 3.566 16.075 -2.222 1.00 44.13 H new ATOM 0 HE21 GLN A 84 5.351 17.936 -3.142 1.00 13.02 H new ATOM 0 HE22 GLN A 84 4.584 19.038 -4.290 1.00 13.02 H new ATOM 1220 N VAL A 85 4.922 12.573 -4.993 1.00 51.23 N ATOM 1221 CA VAL A 85 4.138 11.781 -5.907 1.00 50.31 C ATOM 1222 C VAL A 85 4.821 10.456 -5.943 1.00 71.05 C ATOM 1223 O VAL A 85 6.027 10.387 -6.196 1.00 2.21 O ATOM 1224 CB VAL A 85 4.079 12.352 -7.318 1.00 2.31 C ATOM 1225 CG1 VAL A 85 3.151 11.461 -8.188 1.00 63.25 C ATOM 1226 CG2 VAL A 85 3.587 13.813 -7.217 1.00 33.30 C ATOM 0 H VAL A 85 5.867 12.789 -5.311 1.00 51.23 H new ATOM 0 HA VAL A 85 3.103 11.743 -5.567 1.00 50.31 H new ATOM 0 HB VAL A 85 5.057 12.355 -7.799 1.00 2.31 H new ATOM 0 HG11 VAL A 85 3.104 11.864 -9.200 1.00 63.25 H new ATOM 0 HG12 VAL A 85 3.546 10.446 -8.220 1.00 63.25 H new ATOM 0 HG13 VAL A 85 2.150 11.447 -7.756 1.00 63.25 H new ATOM 0 HG21 VAL A 85 3.535 14.249 -8.215 1.00 33.30 H new ATOM 0 HG22 VAL A 85 2.598 13.833 -6.760 1.00 33.30 H new ATOM 0 HG23 VAL A 85 4.281 14.389 -6.605 1.00 33.30 H new ATOM 1236 N VAL A 86 4.093 9.381 -5.634 1.00 43.13 N ATOM 1237 CA VAL A 86 4.702 8.083 -5.519 1.00 4.43 C ATOM 1238 C VAL A 86 3.897 7.194 -6.385 1.00 31.43 C ATOM 1239 O VAL A 86 2.701 7.398 -6.507 1.00 2.21 O ATOM 1240 CB VAL A 86 4.628 7.542 -4.102 1.00 10.25 C ATOM 1241 CG1 VAL A 86 5.530 6.291 -3.971 1.00 53.35 C ATOM 1242 CG2 VAL A 86 5.036 8.673 -3.153 1.00 3.15 C ATOM 0 H VAL A 86 3.088 9.397 -5.462 1.00 43.13 H new ATOM 0 HA VAL A 86 5.755 8.140 -5.796 1.00 4.43 H new ATOM 0 HB VAL A 86 3.619 7.220 -3.845 1.00 10.25 H new ATOM 0 HG11 VAL A 86 5.473 5.907 -2.953 1.00 53.35 H new ATOM 0 HG12 VAL A 86 5.192 5.524 -4.668 1.00 53.35 H new ATOM 0 HG13 VAL A 86 6.561 6.560 -4.200 1.00 53.35 H new ATOM 0 HG21 VAL A 86 4.994 8.317 -2.124 1.00 3.15 H new ATOM 0 HG22 VAL A 86 6.052 8.994 -3.385 1.00 3.15 H new ATOM 0 HG23 VAL A 86 4.353 9.514 -3.275 1.00 3.15 H new ATOM 1252 N HIS A 87 4.536 6.186 -6.994 1.00 45.43 N ATOM 1253 CA HIS A 87 3.827 5.216 -7.783 1.00 41.51 C ATOM 1254 C HIS A 87 3.671 4.031 -6.895 1.00 31.44 C ATOM 1255 O HIS A 87 4.657 3.424 -6.480 1.00 15.32 O ATOM 1256 CB HIS A 87 4.604 4.755 -9.030 1.00 33.24 C ATOM 1257 CG HIS A 87 5.046 5.899 -9.889 1.00 35.11 C ATOM 1258 ND1 HIS A 87 4.183 6.628 -10.658 1.00 62.21 N ATOM 1259 CD2 HIS A 87 6.266 6.439 -10.035 1.00 21.35 C ATOM 1260 CE1 HIS A 87 4.868 7.587 -11.262 1.00 35.24 C ATOM 1261 NE2 HIS A 87 6.143 7.487 -10.896 1.00 24.30 N ATOM 0 H HIS A 87 5.544 6.036 -6.945 1.00 45.43 H new ATOM 0 HA HIS A 87 2.893 5.656 -8.134 1.00 41.51 H new ATOM 0 HB2 HIS A 87 5.477 4.181 -8.718 1.00 33.24 H new ATOM 0 HB3 HIS A 87 3.976 4.086 -9.618 1.00 33.24 H new ATOM 0 HD2 HIS A 87 7.176 6.105 -9.558 1.00 21.35 H new ATOM 0 HE1 HIS A 87 4.461 8.325 -11.937 1.00 35.24 H new ATOM 0 HE2 HIS A 87 6.901 8.094 -11.208 1.00 24.30 H new ATOM 1270 N LEU A 88 2.439 3.697 -6.558 1.00 4.21 N ATOM 1271 CA LEU A 88 2.181 2.577 -5.698 1.00 15.15 C ATOM 1272 C LEU A 88 1.541 1.575 -6.573 1.00 30.03 C ATOM 1273 O LEU A 88 0.683 1.921 -7.380 1.00 22.42 O ATOM 1274 CB LEU A 88 1.223 2.905 -4.528 1.00 52.02 C ATOM 1275 CG LEU A 88 1.730 4.067 -3.640 1.00 45.10 C ATOM 1276 CD1 LEU A 88 0.643 4.606 -2.707 1.00 52.40 C ATOM 1277 CD2 LEU A 88 3.038 3.731 -2.896 1.00 60.32 C ATOM 0 H LEU A 88 1.605 4.192 -6.872 1.00 4.21 H new ATOM 0 HA LEU A 88 3.110 2.244 -5.235 1.00 15.15 H new ATOM 0 HB2 LEU A 88 0.243 3.162 -4.929 1.00 52.02 H new ATOM 0 HB3 LEU A 88 1.092 2.015 -3.913 1.00 52.02 H new ATOM 0 HG LEU A 88 1.980 4.879 -4.323 1.00 45.10 H new ATOM 0 HD11 LEU A 88 1.050 5.419 -2.106 1.00 52.40 H new ATOM 0 HD12 LEU A 88 -0.194 4.976 -3.299 1.00 52.40 H new ATOM 0 HD13 LEU A 88 0.298 3.807 -2.051 1.00 52.40 H new ATOM 0 HD21 LEU A 88 3.342 4.585 -2.291 1.00 60.32 H new ATOM 0 HD22 LEU A 88 2.878 2.867 -2.251 1.00 60.32 H new ATOM 0 HD23 LEU A 88 3.820 3.503 -3.620 1.00 60.32 H new ATOM 1289 N LEU A 89 1.981 0.319 -6.482 1.00 40.52 N ATOM 1290 CA LEU A 89 1.452 -0.699 -7.339 1.00 44.23 C ATOM 1291 C LEU A 89 0.722 -1.621 -6.439 1.00 63.52 C ATOM 1292 O LEU A 89 1.287 -2.104 -5.436 1.00 75.12 O ATOM 1293 CB LEU A 89 2.550 -1.484 -8.093 1.00 5.10 C ATOM 1294 CG LEU A 89 2.039 -2.387 -9.237 1.00 22.34 C ATOM 1295 CD1 LEU A 89 1.170 -1.622 -10.254 1.00 33.02 C ATOM 1296 CD2 LEU A 89 3.191 -3.128 -9.929 1.00 22.42 C ATOM 0 H LEU A 89 2.695 0.002 -5.826 1.00 40.52 H new ATOM 0 HA LEU A 89 0.824 -0.250 -8.108 1.00 44.23 H new ATOM 0 HB2 LEU A 89 3.266 -0.773 -8.504 1.00 5.10 H new ATOM 0 HB3 LEU A 89 3.090 -2.102 -7.376 1.00 5.10 H new ATOM 0 HG LEU A 89 1.393 -3.134 -8.775 1.00 22.34 H new ATOM 0 HD11 LEU A 89 0.838 -2.305 -11.036 1.00 33.02 H new ATOM 0 HD12 LEU A 89 0.301 -1.202 -9.747 1.00 33.02 H new ATOM 0 HD13 LEU A 89 1.755 -0.817 -10.700 1.00 33.02 H new ATOM 0 HD21 LEU A 89 2.793 -3.753 -10.728 1.00 22.42 H new ATOM 0 HD22 LEU A 89 3.890 -2.404 -10.348 1.00 22.42 H new ATOM 0 HD23 LEU A 89 3.710 -3.754 -9.203 1.00 22.42 H new ATOM 1308 N LEU A 90 -0.560 -1.846 -6.726 1.00 75.21 N ATOM 1309 CA LEU A 90 -1.388 -2.580 -5.825 1.00 42.40 C ATOM 1310 C LEU A 90 -2.123 -3.570 -6.631 1.00 2.05 C ATOM 1311 O LEU A 90 -2.260 -3.422 -7.841 1.00 61.12 O ATOM 1312 CB LEU A 90 -2.436 -1.721 -5.076 1.00 21.40 C ATOM 1313 CG LEU A 90 -1.825 -0.649 -4.151 1.00 54.31 C ATOM 1314 CD1 LEU A 90 -1.616 0.700 -4.853 1.00 61.34 C ATOM 1315 CD2 LEU A 90 -2.608 -0.506 -2.844 1.00 33.42 C ATOM 0 H LEU A 90 -1.027 -1.525 -7.574 1.00 75.21 H new ATOM 0 HA LEU A 90 -0.737 -3.014 -5.066 1.00 42.40 H new ATOM 0 HB2 LEU A 90 -3.079 -1.231 -5.808 1.00 21.40 H new ATOM 0 HB3 LEU A 90 -3.072 -2.378 -4.483 1.00 21.40 H new ATOM 0 HG LEU A 90 -0.829 -1.007 -3.889 1.00 54.31 H new ATOM 0 HD11 LEU A 90 -1.184 1.413 -4.151 1.00 61.34 H new ATOM 0 HD12 LEU A 90 -0.941 0.569 -5.699 1.00 61.34 H new ATOM 0 HD13 LEU A 90 -2.575 1.077 -5.209 1.00 61.34 H new ATOM 0 HD21 LEU A 90 -2.143 0.260 -2.223 1.00 33.42 H new ATOM 0 HD22 LEU A 90 -3.636 -0.219 -3.065 1.00 33.42 H new ATOM 0 HD23 LEU A 90 -2.604 -1.457 -2.311 1.00 33.42 H new ATOM 1327 N GLU A 91 -2.614 -4.618 -5.967 1.00 74.34 N ATOM 1328 CA GLU A 91 -3.471 -5.566 -6.597 1.00 11.14 C ATOM 1329 C GLU A 91 -4.675 -5.551 -5.740 1.00 54.52 C ATOM 1330 O GLU A 91 -4.567 -5.513 -4.506 1.00 2.31 O ATOM 1331 CB GLU A 91 -2.920 -7.021 -6.642 1.00 51.01 C ATOM 1332 CG GLU A 91 -3.780 -7.991 -7.496 1.00 52.05 C ATOM 1333 CD GLU A 91 -3.165 -9.374 -7.437 1.00 31.04 C ATOM 1334 OE1 GLU A 91 -1.953 -9.508 -7.692 1.00 23.23 O ATOM 1335 OE2 GLU A 91 -3.878 -10.345 -7.096 1.00 31.40 O ATOM 0 H GLU A 91 -2.418 -4.814 -4.985 1.00 74.34 H new ATOM 0 HA GLU A 91 -3.619 -5.293 -7.642 1.00 11.14 H new ATOM 0 HB2 GLU A 91 -1.906 -7.003 -7.040 1.00 51.01 H new ATOM 0 HB3 GLU A 91 -2.856 -7.407 -5.625 1.00 51.01 H new ATOM 0 HG2 GLU A 91 -4.803 -8.017 -7.121 1.00 52.05 H new ATOM 0 HG3 GLU A 91 -3.828 -7.643 -8.528 1.00 52.05 H new ATOM 1342 N LYS A 92 -5.853 -5.511 -6.367 1.00 54.21 N ATOM 1343 CA LYS A 92 -7.085 -5.470 -5.628 1.00 62.53 C ATOM 1344 C LYS A 92 -7.267 -6.750 -4.891 1.00 51.24 C ATOM 1345 O LYS A 92 -6.805 -7.811 -5.305 1.00 3.43 O ATOM 1346 CB LYS A 92 -8.336 -5.232 -6.493 1.00 64.14 C ATOM 1347 CG LYS A 92 -8.821 -3.793 -6.466 1.00 22.53 C ATOM 1348 CD LYS A 92 -9.521 -3.437 -5.145 1.00 21.25 C ATOM 1349 CE LYS A 92 -9.907 -1.959 -5.008 1.00 53.14 C ATOM 1350 NZ LYS A 92 -8.708 -1.108 -4.873 1.00 20.32 N ATOM 0 H LYS A 92 -5.964 -5.507 -7.381 1.00 54.21 H new ATOM 0 HA LYS A 92 -6.995 -4.618 -4.954 1.00 62.53 H new ATOM 0 HB2 LYS A 92 -8.116 -5.515 -7.523 1.00 64.14 H new ATOM 0 HB3 LYS A 92 -9.138 -5.885 -6.147 1.00 64.14 H new ATOM 0 HG2 LYS A 92 -7.974 -3.124 -6.617 1.00 22.53 H new ATOM 0 HG3 LYS A 92 -9.509 -3.629 -7.295 1.00 22.53 H new ATOM 0 HD2 LYS A 92 -10.421 -4.045 -5.050 1.00 21.25 H new ATOM 0 HD3 LYS A 92 -8.865 -3.707 -4.317 1.00 21.25 H new ATOM 0 HE2 LYS A 92 -10.482 -1.647 -5.880 1.00 53.14 H new ATOM 0 HE3 LYS A 92 -10.551 -1.827 -4.138 1.00 53.14 H new ATOM 0 HZ1 LYS A 92 -8.921 -0.305 -4.247 1.00 20.32 H new ATOM 0 HZ2 LYS A 92 -7.930 -1.666 -4.468 1.00 20.32 H new ATOM 0 HZ3 LYS A 92 -8.428 -0.752 -5.809 1.00 20.32 H new ATOM 1364 N GLY A 93 -7.962 -6.634 -3.776 1.00 65.52 N ATOM 1365 CA GLY A 93 -8.236 -7.737 -2.938 1.00 12.24 C ATOM 1366 C GLY A 93 -9.694 -7.919 -3.002 1.00 32.25 C ATOM 1367 O GLY A 93 -10.384 -7.314 -3.849 1.00 12.11 O ATOM 0 H GLY A 93 -8.348 -5.751 -3.441 1.00 65.52 H new ATOM 0 HA2 GLY A 93 -7.713 -8.630 -3.279 1.00 12.24 H new ATOM 0 HA3 GLY A 93 -7.908 -7.546 -1.916 1.00 12.24 H new ATOM 1371 N GLN A 94 -10.222 -8.748 -2.107 1.00 52.43 N ATOM 1372 CA GLN A 94 -11.626 -8.998 -2.086 1.00 24.25 C ATOM 1373 C GLN A 94 -12.307 -7.790 -1.511 1.00 54.32 C ATOM 1374 O GLN A 94 -11.715 -7.012 -0.749 1.00 44.30 O ATOM 1375 CB GLN A 94 -12.033 -10.214 -1.221 1.00 63.12 C ATOM 1376 CG GLN A 94 -11.605 -10.094 0.259 1.00 54.03 C ATOM 1377 CD GLN A 94 -12.228 -11.239 1.027 1.00 62.24 C ATOM 1378 OE1 GLN A 94 -12.761 -12.182 0.431 1.00 25.22 O ATOM 1379 NE2 GLN A 94 -12.176 -11.167 2.364 1.00 70.21 N ATOM 0 H GLN A 94 -9.687 -9.248 -1.397 1.00 52.43 H new ATOM 0 HA GLN A 94 -11.922 -9.213 -3.113 1.00 24.25 H new ATOM 0 HB2 GLN A 94 -13.115 -10.337 -1.268 1.00 63.12 H new ATOM 0 HB3 GLN A 94 -11.591 -11.115 -1.646 1.00 63.12 H new ATOM 0 HG2 GLN A 94 -10.519 -10.126 0.344 1.00 54.03 H new ATOM 0 HG3 GLN A 94 -11.929 -9.139 0.672 1.00 54.03 H new ATOM 0 HE21 GLN A 94 -11.726 -10.370 2.815 1.00 70.21 H new ATOM 0 HE22 GLN A 94 -12.586 -11.909 2.931 1.00 70.21 H new ATOM 1388 N SER A 95 -13.571 -7.636 -1.861 1.00 33.32 N ATOM 1389 CA SER A 95 -14.432 -6.669 -1.232 1.00 72.52 C ATOM 1390 C SER A 95 -14.865 -7.323 0.079 1.00 20.42 C ATOM 1391 O SER A 95 -14.669 -8.537 0.261 1.00 2.41 O ATOM 1392 CB SER A 95 -15.675 -6.396 -2.115 1.00 51.25 C ATOM 1393 OG SER A 95 -15.243 -5.890 -3.386 1.00 34.24 O ATOM 0 H SER A 95 -14.024 -8.183 -2.593 1.00 33.32 H new ATOM 0 HA SER A 95 -13.928 -5.715 -1.078 1.00 72.52 H new ATOM 0 HB2 SER A 95 -16.249 -7.312 -2.250 1.00 51.25 H new ATOM 0 HB3 SER A 95 -16.333 -5.677 -1.627 1.00 51.25 H new ATOM 0 HG SER A 95 -16.024 -5.716 -3.952 1.00 34.24 H new ATOM 1399 N PRO A 96 -15.432 -6.530 1.025 1.00 24.12 N ATOM 1400 CA PRO A 96 -15.903 -7.054 2.309 1.00 50.04 C ATOM 1401 C PRO A 96 -16.917 -8.150 2.056 1.00 74.21 C ATOM 1402 O PRO A 96 -18.031 -7.864 1.613 1.00 53.14 O ATOM 1403 CB PRO A 96 -16.501 -5.839 3.053 1.00 41.11 C ATOM 1404 CG PRO A 96 -16.713 -4.771 1.952 1.00 64.13 C ATOM 1405 CD PRO A 96 -15.612 -5.077 0.926 1.00 22.00 C ATOM 0 HA PRO A 96 -15.115 -7.505 2.912 1.00 50.04 H new ATOM 0 HB2 PRO A 96 -17.441 -6.097 3.541 1.00 41.11 H new ATOM 0 HB3 PRO A 96 -15.827 -5.479 3.830 1.00 41.11 H new ATOM 0 HG2 PRO A 96 -17.706 -4.846 1.508 1.00 64.13 H new ATOM 0 HG3 PRO A 96 -16.618 -3.761 2.351 1.00 64.13 H new ATOM 0 HD2 PRO A 96 -15.909 -4.779 -0.080 1.00 22.00 H new ATOM 0 HD3 PRO A 96 -14.690 -4.543 1.158 1.00 22.00 H new ATOM 1413 N THR A 97 -16.502 -9.398 2.295 1.00 55.40 N ATOM 1414 CA THR A 97 -17.296 -10.539 2.025 1.00 44.44 C ATOM 1415 C THR A 97 -17.403 -11.265 3.369 1.00 41.53 C ATOM 1416 O THR A 97 -16.347 -11.524 3.989 1.00 62.25 O ATOM 1417 CB THR A 97 -16.607 -11.458 1.035 1.00 13.54 C ATOM 1418 OG1 THR A 97 -16.259 -10.715 -0.142 1.00 2.51 O ATOM 1419 CG2 THR A 97 -17.564 -12.611 0.657 1.00 51.30 C ATOM 0 H THR A 97 -15.587 -9.618 2.688 1.00 55.40 H new ATOM 0 HA THR A 97 -18.260 -10.259 1.601 1.00 44.44 H new ATOM 0 HB THR A 97 -15.703 -11.869 1.483 1.00 13.54 H new ATOM 0 HG1 THR A 97 -15.591 -10.035 0.086 1.00 2.51 H new ATOM 0 HG21 THR A 97 -17.072 -13.274 -0.055 1.00 51.30 H new ATOM 0 HG22 THR A 97 -17.829 -13.173 1.553 1.00 51.30 H new ATOM 0 HG23 THR A 97 -18.468 -12.201 0.206 1.00 51.30 H new TER 1427 THR A 97 HETATM 1428 C1 33B A 101 -0.256 2.792 11.245 1.00 64.14 C HETATM 1429 C2 33B A 101 0.628 1.757 11.924 1.00 53.35 C HETATM 1430 O2 33B A 101 0.322 0.572 11.886 1.00 72.44 O HETATM 1431 N3 33B A 101 1.745 2.239 12.592 1.00 40.23 N HETATM 1432 C4 33B A 101 2.860 1.372 13.217 1.00 72.52 C HETATM 1433 C5 33B A 101 2.863 -0.045 13.061 1.00 34.30 C HETATM 1434 C6 33B A 101 3.957 1.969 14.001 1.00 50.51 C HETATM 1435 S6 33B A 101 4.153 3.724 14.310 1.00 33.42 S HETATM 1436 C7 33B A 101 3.850 -0.828 13.645 1.00 54.14 C HETATM 1437 C8 33B A 101 4.911 1.110 14.584 1.00 24.01 C HETATM 1438 C9 33B A 101 4.861 -0.271 14.406 1.00 13.35 C HETATM 1439 N10 33B A 101 5.873 -1.165 15.058 1.00 61.42 N HETATM 1440 N11 33B A 101 7.127 -1.095 14.885 1.00 11.52 N HETATM 1441 C12 33B A 101 7.832 -0.105 13.990 1.00 14.33 C HETATM 1442 C13 33B A 101 7.464 0.037 12.644 1.00 12.00 C HETATM 1443 C14 33B A 101 8.884 0.650 14.499 1.00 2.44 C HETATM 1444 C15 33B A 101 8.155 0.902 11.795 1.00 32.33 C HETATM 1445 C16 33B A 101 9.636 1.533 13.690 1.00 63.22 C HETATM 1446 C17 33B A 101 9.273 1.661 12.264 1.00 63.42 C HETATM 1447 S17 33B A 101 10.993 2.447 14.457 1.00 13.11 S HETATM 1448 N18 33B A 101 10.117 2.514 11.299 1.00 24.13 N HETATM 1449 C19 33B A 101 9.848 2.684 9.958 1.00 52.32 C HETATM 1450 O19 33B A 101 8.742 2.513 9.464 1.00 25.14 O HETATM 1451 C20 33B A 101 11.031 3.070 9.075 1.00 54.31 C HETATM 1452 O61 33B A 101 3.924 3.807 15.746 1.00 35.31 O HETATM 1453 O62 33B A 101 5.519 3.953 13.898 1.00 75.11 O HETATM 1454 O63 33B A 101 3.165 4.368 13.488 1.00 51.43 O HETATM 1455 O71 33B A 101 12.006 2.462 13.446 1.00 71.24 O HETATM 1456 O72 33B A 101 10.377 3.721 14.753 1.00 10.52 O HETATM 1457 O73 33B A 101 11.312 1.637 15.615 1.00 52.14 O HETATM 0 HO72 33B A 101 11.033 4.310 15.181 1.00 10.52 H new HETATM 0 HO62 33B A 101 6.128 3.663 14.609 1.00 75.11 H new HETATM 0 HN18 33B A 101 10.936 2.988 11.680 1.00 24.13 H new HETATM 0 HN3 33B A 101 1.837 3.251 12.677 1.00 40.23 H new HETATM 0 H8 33B A 101 5.709 1.538 15.190 1.00 24.01 H new HETATM 0 H7 33B A 101 3.827 -1.908 13.500 1.00 54.14 H new HETATM 0 H5 33B A 101 2.078 -0.522 12.474 1.00 34.30 H new HETATM 0 H15 33B A 101 7.838 1.001 10.757 1.00 32.33 H new HETATM 0 H14 33B A 101 9.137 0.558 15.555 1.00 2.44 H new HETATM 0 H13 33B A 101 6.624 -0.538 12.255 1.00 12.00 H new