USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 862 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 75 ASN : amide:sc= -0.103 X(o=-0.1,f=0) USER MOD Set 1.2: A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.101 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 48:sc= 1.13 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 144:sc= -2.17! (180deg=-2.83) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0.02 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.109 K(o=-0.11,f=-1.9!) USER MOD Single : A 61 THR OG1 : rot 11:sc= 0.584 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ -128:sc= -0.0407 (180deg=-1.11) USER MOD Single : A 68 LYS NZ :NH3+ -107:sc= -1.05 (180deg=-4.1!) USER MOD Single : A 73 HIS : no HD1:sc= -0.0248 X(o=-0.025,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.979 USER MOD Single : A 84 TYR OH : rot 159:sc= 0.0611 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot -171:sc= 1.27 USER MOD Single : A 93 MET CE :methyl 166:sc= -0.036 (180deg=-0.297) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.675 USER MOD Single : A 98 TYR OH : rot 147:sc= 0.938 USER MOD Single : A 106 SER OG : rot 19:sc= 1.34 USER MOD Single : A 108 TYR OH : rot 180:sc= -0.422 USER MOD Single : A 113 THR OG1 : rot 32:sc= 0.393 USER MOD Single : A 114 GLN : amide:sc= -1.14 K(o=-1.1,f=-4.5!) USER MOD Single : A 115 THR OG1 : rot -21:sc= 0.524 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.767 -16.704 -45.263 1.00 0.00 N ATOM 2 CA GLY A 1 -11.726 -16.460 -44.201 1.00 0.00 C ATOM 3 C GLY A 1 -11.934 -17.673 -43.316 1.00 0.00 C ATOM 4 O GLY A 1 -11.178 -18.642 -43.393 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.023 -15.978 -45.232 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.339 -17.643 -45.136 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.251 -16.666 -46.183 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.383 -15.624 -43.591 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.680 -16.165 -44.638 1.00 0.00 H new ATOM 8 N SER A 2 -12.960 -17.621 -42.473 1.00 0.00 N ATOM 9 CA SER A 2 -13.261 -18.722 -41.566 1.00 0.00 C ATOM 10 C SER A 2 -12.152 -18.893 -40.533 1.00 0.00 C ATOM 11 O SER A 2 -11.753 -20.013 -40.213 1.00 0.00 O ATOM 12 CB SER A 2 -13.447 -20.021 -42.352 1.00 0.00 C ATOM 13 OG SER A 2 -14.424 -19.868 -43.366 1.00 0.00 O ATOM 0 H SER A 2 -13.597 -16.828 -42.399 1.00 0.00 H new ATOM 0 HA SER A 2 -14.188 -18.487 -41.043 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.498 -20.318 -42.799 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.745 -20.821 -41.674 1.00 0.00 H new ATOM 0 HG SER A 2 -14.523 -20.712 -43.855 1.00 0.00 H new ATOM 19 N SER A 3 -11.657 -17.774 -40.014 1.00 0.00 N ATOM 20 CA SER A 3 -10.591 -17.798 -39.019 1.00 0.00 C ATOM 21 C SER A 3 -11.139 -18.166 -37.644 1.00 0.00 C ATOM 22 O SER A 3 -10.694 -19.130 -37.022 1.00 0.00 O ATOM 23 CB SER A 3 -9.892 -16.439 -38.956 1.00 0.00 C ATOM 24 OG SER A 3 -8.857 -16.352 -39.919 1.00 0.00 O ATOM 0 H SER A 3 -11.977 -16.839 -40.266 1.00 0.00 H new ATOM 0 HA SER A 3 -9.867 -18.557 -39.317 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.619 -15.645 -39.126 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.479 -16.285 -37.959 1.00 0.00 H new ATOM 0 HG SER A 3 -8.427 -15.473 -39.859 1.00 0.00 H new ATOM 30 N GLY A 4 -12.111 -17.389 -37.174 1.00 0.00 N ATOM 31 CA GLY A 4 -12.705 -17.647 -35.875 1.00 0.00 C ATOM 32 C GLY A 4 -11.666 -17.918 -34.806 1.00 0.00 C ATOM 33 O GLY A 4 -10.490 -17.597 -34.978 1.00 0.00 O ATOM 0 H GLY A 4 -12.497 -16.586 -37.670 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.311 -16.790 -35.579 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.377 -18.502 -35.949 1.00 0.00 H new ATOM 37 N SER A 5 -12.100 -18.508 -33.697 1.00 0.00 N ATOM 38 CA SER A 5 -11.199 -18.816 -32.592 1.00 0.00 C ATOM 39 C SER A 5 -11.814 -19.861 -31.665 1.00 0.00 C ATOM 40 O SER A 5 -13.034 -19.943 -31.527 1.00 0.00 O ATOM 41 CB SER A 5 -10.873 -17.546 -31.802 1.00 0.00 C ATOM 42 OG SER A 5 -9.650 -17.682 -31.100 1.00 0.00 O ATOM 0 H SER A 5 -13.070 -18.782 -33.540 1.00 0.00 H new ATOM 0 HA SER A 5 -10.278 -19.222 -33.009 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.813 -16.696 -32.482 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.678 -17.335 -31.098 1.00 0.00 H new ATOM 0 HG SER A 5 -9.464 -16.857 -30.605 1.00 0.00 H new ATOM 48 N SER A 6 -10.958 -20.657 -31.033 1.00 0.00 N ATOM 49 CA SER A 6 -11.416 -21.700 -30.122 1.00 0.00 C ATOM 50 C SER A 6 -10.346 -22.022 -29.083 1.00 0.00 C ATOM 51 O SER A 6 -9.182 -21.654 -29.239 1.00 0.00 O ATOM 52 CB SER A 6 -11.781 -22.964 -30.902 1.00 0.00 C ATOM 53 OG SER A 6 -12.496 -23.878 -30.088 1.00 0.00 O ATOM 0 H SER A 6 -9.945 -20.600 -31.135 1.00 0.00 H new ATOM 0 HA SER A 6 -12.302 -21.332 -29.605 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.383 -22.698 -31.771 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.874 -23.438 -31.277 1.00 0.00 H new ATOM 0 HG SER A 6 -12.719 -24.676 -30.611 1.00 0.00 H new ATOM 59 N GLY A 7 -10.749 -22.712 -28.021 1.00 0.00 N ATOM 60 CA GLY A 7 -9.814 -23.072 -26.971 1.00 0.00 C ATOM 61 C GLY A 7 -10.230 -22.536 -25.615 1.00 0.00 C ATOM 62 O GLY A 7 -9.513 -21.738 -25.010 1.00 0.00 O ATOM 0 H GLY A 7 -11.707 -23.028 -27.869 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.731 -24.158 -26.919 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.825 -22.688 -27.222 1.00 0.00 H new ATOM 66 N ARG A 8 -11.391 -22.973 -25.138 1.00 0.00 N ATOM 67 CA ARG A 8 -11.902 -22.528 -23.847 1.00 0.00 C ATOM 68 C ARG A 8 -12.115 -23.714 -22.910 1.00 0.00 C ATOM 69 O ARG A 8 -13.181 -24.330 -22.905 1.00 0.00 O ATOM 70 CB ARG A 8 -13.215 -21.766 -24.029 1.00 0.00 C ATOM 71 CG ARG A 8 -14.234 -22.504 -24.883 1.00 0.00 C ATOM 72 CD ARG A 8 -14.084 -22.155 -26.356 1.00 0.00 C ATOM 73 NE ARG A 8 -14.624 -20.833 -26.663 1.00 0.00 N ATOM 74 CZ ARG A 8 -15.041 -20.473 -27.872 1.00 0.00 C ATOM 75 NH1 ARG A 8 -14.981 -21.331 -28.881 1.00 0.00 N ATOM 76 NH2 ARG A 8 -15.520 -19.252 -28.073 1.00 0.00 N ATOM 0 H ARG A 8 -11.995 -23.634 -25.626 1.00 0.00 H new ATOM 0 HA ARG A 8 -11.163 -21.862 -23.401 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -13.650 -21.569 -23.049 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -13.004 -20.799 -24.485 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -14.113 -23.579 -24.748 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -15.241 -22.252 -24.549 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -13.030 -22.189 -26.631 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -14.595 -22.905 -26.960 1.00 0.00 H new ATOM 0 HE ARG A 8 -14.684 -20.149 -25.908 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -14.614 -22.271 -28.730 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -15.302 -21.051 -29.808 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -15.568 -18.589 -27.299 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -15.840 -18.976 -29.001 1.00 0.00 H new ATOM 90 N SER A 9 -11.094 -24.027 -22.119 1.00 0.00 N ATOM 91 CA SER A 9 -11.167 -25.141 -21.181 1.00 0.00 C ATOM 92 C SER A 9 -11.201 -24.638 -19.741 1.00 0.00 C ATOM 93 O SER A 9 -10.168 -24.408 -19.113 1.00 0.00 O ATOM 94 CB SER A 9 -9.975 -26.080 -21.377 1.00 0.00 C ATOM 95 OG SER A 9 -9.909 -26.548 -22.713 1.00 0.00 O ATOM 0 H SER A 9 -10.206 -23.525 -22.109 1.00 0.00 H new ATOM 0 HA SER A 9 -12.088 -25.689 -21.378 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.052 -25.558 -21.125 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.059 -26.927 -20.695 1.00 0.00 H new ATOM 0 HG SER A 9 -9.138 -27.145 -22.813 1.00 0.00 H new ATOM 101 N PRO A 10 -12.418 -24.462 -19.206 1.00 0.00 N ATOM 102 CA PRO A 10 -12.618 -23.984 -17.834 1.00 0.00 C ATOM 103 C PRO A 10 -12.201 -25.019 -16.794 1.00 0.00 C ATOM 104 O PRO A 10 -12.193 -26.219 -17.066 1.00 0.00 O ATOM 105 CB PRO A 10 -14.125 -23.731 -17.763 1.00 0.00 C ATOM 106 CG PRO A 10 -14.711 -24.634 -18.793 1.00 0.00 C ATOM 107 CD PRO A 10 -13.693 -24.716 -19.897 1.00 0.00 C ATOM 0 HA PRO A 10 -12.014 -23.103 -17.616 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.517 -23.955 -16.771 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -14.361 -22.687 -17.971 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -14.916 -25.620 -18.377 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -15.658 -24.241 -19.163 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.701 -25.694 -20.379 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.883 -23.976 -20.674 1.00 0.00 H new ATOM 115 N PHE A 11 -11.857 -24.545 -15.601 1.00 0.00 N ATOM 116 CA PHE A 11 -11.440 -25.430 -14.519 1.00 0.00 C ATOM 117 C PHE A 11 -11.472 -24.702 -13.178 1.00 0.00 C ATOM 118 O PHE A 11 -11.025 -23.560 -13.067 1.00 0.00 O ATOM 119 CB PHE A 11 -10.032 -25.968 -14.786 1.00 0.00 C ATOM 120 CG PHE A 11 -9.974 -26.960 -15.912 1.00 0.00 C ATOM 121 CD1 PHE A 11 -10.526 -28.223 -15.769 1.00 0.00 C ATOM 122 CD2 PHE A 11 -9.366 -26.631 -17.113 1.00 0.00 C ATOM 123 CE1 PHE A 11 -10.474 -29.139 -16.803 1.00 0.00 C ATOM 124 CE2 PHE A 11 -9.312 -27.543 -18.150 1.00 0.00 C ATOM 125 CZ PHE A 11 -9.865 -28.799 -17.995 1.00 0.00 C ATOM 0 H PHE A 11 -11.859 -23.554 -15.359 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.139 -26.265 -14.476 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -9.369 -25.133 -15.013 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -9.653 -26.438 -13.878 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -11.002 -28.495 -14.839 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -8.930 -25.651 -17.240 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -10.909 -30.120 -16.679 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -8.837 -27.273 -19.082 1.00 0.00 H new ATOM 0 HZ PHE A 11 -9.821 -29.513 -18.804 1.00 0.00 H new ATOM 135 N LYS A 12 -12.004 -25.371 -12.161 1.00 0.00 N ATOM 136 CA LYS A 12 -12.096 -24.791 -10.827 1.00 0.00 C ATOM 137 C LYS A 12 -12.101 -25.880 -9.759 1.00 0.00 C ATOM 138 O LYS A 12 -12.717 -26.931 -9.933 1.00 0.00 O ATOM 139 CB LYS A 12 -13.360 -23.937 -10.705 1.00 0.00 C ATOM 140 CG LYS A 12 -14.642 -24.750 -10.669 1.00 0.00 C ATOM 141 CD LYS A 12 -15.063 -25.190 -12.061 1.00 0.00 C ATOM 142 CE LYS A 12 -16.154 -26.248 -12.005 1.00 0.00 C ATOM 143 NZ LYS A 12 -15.590 -27.623 -11.922 1.00 0.00 N ATOM 0 H LYS A 12 -12.378 -26.317 -12.236 1.00 0.00 H new ATOM 0 HA LYS A 12 -11.222 -24.159 -10.673 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -13.296 -23.335 -9.798 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -13.403 -23.244 -11.545 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -14.500 -25.627 -10.037 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -15.437 -24.157 -10.218 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -15.420 -24.328 -12.624 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -14.199 -25.585 -12.596 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -16.793 -26.065 -11.141 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -16.784 -26.167 -12.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -16.366 -28.315 -11.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -15.000 -27.807 -12.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -15.009 -27.709 -11.064 1.00 0.00 H new ATOM 157 N VAL A 13 -11.411 -25.621 -8.653 1.00 0.00 N ATOM 158 CA VAL A 13 -11.338 -26.579 -7.556 1.00 0.00 C ATOM 159 C VAL A 13 -11.481 -25.881 -6.207 1.00 0.00 C ATOM 160 O VAL A 13 -11.032 -24.749 -6.031 1.00 0.00 O ATOM 161 CB VAL A 13 -10.011 -27.360 -7.579 1.00 0.00 C ATOM 162 CG1 VAL A 13 -9.963 -28.366 -6.440 1.00 0.00 C ATOM 163 CG2 VAL A 13 -9.824 -28.052 -8.921 1.00 0.00 C ATOM 0 H VAL A 13 -10.895 -24.756 -8.493 1.00 0.00 H new ATOM 0 HA VAL A 13 -12.164 -27.278 -7.691 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.192 -26.654 -7.442 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.018 -28.908 -6.473 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -10.048 -27.842 -5.488 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.789 -29.070 -6.541 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.881 -28.599 -8.920 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -10.647 -28.747 -9.090 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.810 -27.306 -9.716 1.00 0.00 H new ATOM 173 N LYS A 14 -12.109 -26.566 -5.257 1.00 0.00 N ATOM 174 CA LYS A 14 -12.310 -26.014 -3.923 1.00 0.00 C ATOM 175 C LYS A 14 -11.145 -26.371 -3.005 1.00 0.00 C ATOM 176 O LYS A 14 -11.246 -27.281 -2.182 1.00 0.00 O ATOM 177 CB LYS A 14 -13.620 -26.533 -3.326 1.00 0.00 C ATOM 178 CG LYS A 14 -14.842 -26.210 -4.168 1.00 0.00 C ATOM 179 CD LYS A 14 -15.265 -24.759 -4.004 1.00 0.00 C ATOM 180 CE LYS A 14 -16.149 -24.302 -5.153 1.00 0.00 C ATOM 181 NZ LYS A 14 -16.569 -22.882 -5.000 1.00 0.00 N ATOM 0 H LYS A 14 -12.487 -27.504 -5.387 1.00 0.00 H new ATOM 0 HA LYS A 14 -12.362 -24.929 -4.010 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -13.550 -27.614 -3.202 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.751 -26.106 -2.332 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -14.625 -26.410 -5.217 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.665 -26.865 -3.882 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -15.800 -24.639 -3.062 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.380 -24.125 -3.950 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.612 -24.422 -6.094 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -17.033 -24.938 -5.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -17.170 -22.609 -5.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -17.103 -22.771 -4.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.727 -22.272 -4.975 1.00 0.00 H new ATOM 195 N VAL A 15 -10.040 -25.647 -3.151 1.00 0.00 N ATOM 196 CA VAL A 15 -8.856 -25.885 -2.333 1.00 0.00 C ATOM 197 C VAL A 15 -8.333 -24.585 -1.732 1.00 0.00 C ATOM 198 O VAL A 15 -8.088 -23.612 -2.447 1.00 0.00 O ATOM 199 CB VAL A 15 -7.733 -26.549 -3.152 1.00 0.00 C ATOM 200 CG1 VAL A 15 -8.139 -27.952 -3.575 1.00 0.00 C ATOM 201 CG2 VAL A 15 -7.382 -25.697 -4.363 1.00 0.00 C ATOM 0 H VAL A 15 -9.940 -24.891 -3.828 1.00 0.00 H new ATOM 0 HA VAL A 15 -9.156 -26.558 -1.529 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.846 -26.628 -2.523 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.333 -28.405 -4.153 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.335 -28.556 -2.689 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.040 -27.901 -4.187 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.587 -26.181 -4.930 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.262 -25.584 -4.996 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.045 -24.715 -4.032 1.00 0.00 H new ATOM 211 N LEU A 16 -8.162 -24.576 -0.415 1.00 0.00 N ATOM 212 CA LEU A 16 -7.666 -23.395 0.284 1.00 0.00 C ATOM 213 C LEU A 16 -6.343 -22.925 -0.313 1.00 0.00 C ATOM 214 O LEU A 16 -5.493 -23.723 -0.709 1.00 0.00 O ATOM 215 CB LEU A 16 -7.487 -23.697 1.773 1.00 0.00 C ATOM 216 CG LEU A 16 -6.533 -24.841 2.116 1.00 0.00 C ATOM 217 CD1 LEU A 16 -6.009 -24.691 3.536 1.00 0.00 C ATOM 218 CD2 LEU A 16 -7.226 -26.184 1.940 1.00 0.00 C ATOM 0 H LEU A 16 -8.359 -25.373 0.191 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.401 -22.598 0.167 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.130 -22.793 2.266 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.465 -23.927 2.197 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.686 -24.800 1.432 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.331 -25.514 3.763 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.475 -23.745 3.629 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.845 -24.706 4.236 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.532 -26.987 2.189 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.092 -26.236 2.600 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.551 -26.293 0.905 1.00 0.00 H new ATOM 230 N PRO A 17 -6.163 -21.597 -0.380 1.00 0.00 N ATOM 231 CA PRO A 17 -4.945 -20.990 -0.925 1.00 0.00 C ATOM 232 C PRO A 17 -3.735 -21.208 -0.023 1.00 0.00 C ATOM 233 O PRO A 17 -3.865 -21.690 1.103 1.00 0.00 O ATOM 234 CB PRO A 17 -5.294 -19.502 -1.001 1.00 0.00 C ATOM 235 CG PRO A 17 -6.347 -19.306 0.035 1.00 0.00 C ATOM 236 CD PRO A 17 -7.134 -20.586 0.072 1.00 0.00 C ATOM 0 HA PRO A 17 -4.666 -21.426 -1.884 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.421 -18.880 -0.801 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -5.658 -19.231 -1.992 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.903 -19.093 1.007 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.988 -18.461 -0.215 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -7.502 -20.803 1.075 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -8.003 -20.542 -0.584 1.00 0.00 H new ATOM 244 N THR A 18 -2.557 -20.850 -0.524 1.00 0.00 N ATOM 245 CA THR A 18 -1.323 -21.007 0.237 1.00 0.00 C ATOM 246 C THR A 18 -0.827 -19.665 0.762 1.00 0.00 C ATOM 247 O THR A 18 -0.064 -19.609 1.727 1.00 0.00 O ATOM 248 CB THR A 18 -0.216 -21.653 -0.617 1.00 0.00 C ATOM 249 OG1 THR A 18 -0.642 -22.939 -1.081 1.00 0.00 O ATOM 250 CG2 THR A 18 1.069 -21.798 0.184 1.00 0.00 C ATOM 0 H THR A 18 -2.431 -20.449 -1.454 1.00 0.00 H new ATOM 0 HA THR A 18 -1.551 -21.661 1.079 1.00 0.00 H new ATOM 0 HB THR A 18 -0.022 -21.005 -1.472 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.067 -23.342 -1.625 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.837 -22.257 -0.439 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.407 -20.815 0.511 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.886 -22.427 1.055 1.00 0.00 H new ATOM 258 N TYR A 19 -1.264 -18.586 0.122 1.00 0.00 N ATOM 259 CA TYR A 19 -0.861 -17.243 0.524 1.00 0.00 C ATOM 260 C TYR A 19 -1.252 -16.969 1.973 1.00 0.00 C ATOM 261 O TYR A 19 -2.017 -17.723 2.575 1.00 0.00 O ATOM 262 CB TYR A 19 -1.500 -16.200 -0.395 1.00 0.00 C ATOM 263 CG TYR A 19 -2.939 -15.888 -0.049 1.00 0.00 C ATOM 264 CD1 TYR A 19 -3.252 -15.059 1.021 1.00 0.00 C ATOM 265 CD2 TYR A 19 -3.984 -16.423 -0.792 1.00 0.00 C ATOM 266 CE1 TYR A 19 -4.565 -14.772 1.341 1.00 0.00 C ATOM 267 CE2 TYR A 19 -5.300 -16.140 -0.480 1.00 0.00 C ATOM 268 CZ TYR A 19 -5.585 -15.315 0.587 1.00 0.00 C ATOM 269 OH TYR A 19 -6.894 -15.030 0.902 1.00 0.00 O ATOM 0 H TYR A 19 -1.897 -18.615 -0.677 1.00 0.00 H new ATOM 0 HA TYR A 19 0.224 -17.175 0.440 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.916 -15.281 -0.348 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.452 -16.556 -1.424 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.456 -14.632 1.612 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.764 -17.071 -1.628 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.792 -14.126 2.177 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.101 -16.563 -1.069 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.996 -14.064 1.033 1.00 0.00 H new ATOM 279 N ASP A 20 -0.722 -15.883 2.526 1.00 0.00 N ATOM 280 CA ASP A 20 -1.016 -15.506 3.904 1.00 0.00 C ATOM 281 C ASP A 20 -0.790 -14.013 4.118 1.00 0.00 C ATOM 282 O ASP A 20 0.232 -13.464 3.706 1.00 0.00 O ATOM 283 CB ASP A 20 -0.146 -16.310 4.871 1.00 0.00 C ATOM 284 CG ASP A 20 -0.804 -17.608 5.299 1.00 0.00 C ATOM 285 OD1 ASP A 20 -1.704 -17.559 6.163 1.00 0.00 O ATOM 286 OD2 ASP A 20 -0.417 -18.672 4.771 1.00 0.00 O ATOM 0 H ASP A 20 -0.087 -15.249 2.041 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.065 -15.728 4.100 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.811 -16.530 4.397 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.066 -15.705 5.753 1.00 0.00 H new ATOM 291 N ALA A 21 -1.750 -13.361 4.765 1.00 0.00 N ATOM 292 CA ALA A 21 -1.656 -11.932 5.034 1.00 0.00 C ATOM 293 C ALA A 21 -0.698 -11.653 6.188 1.00 0.00 C ATOM 294 O ALA A 21 0.134 -10.749 6.112 1.00 0.00 O ATOM 295 CB ALA A 21 -3.033 -11.360 5.339 1.00 0.00 C ATOM 0 H ALA A 21 -2.602 -13.800 5.113 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.262 -11.445 4.142 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.947 -10.292 5.538 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.690 -11.518 4.484 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.449 -11.860 6.214 1.00 0.00 H new ATOM 301 N SER A 22 -0.821 -12.435 7.255 1.00 0.00 N ATOM 302 CA SER A 22 0.031 -12.269 8.427 1.00 0.00 C ATOM 303 C SER A 22 1.504 -12.392 8.049 1.00 0.00 C ATOM 304 O SER A 22 2.374 -11.805 8.694 1.00 0.00 O ATOM 305 CB SER A 22 -0.323 -13.309 9.492 1.00 0.00 C ATOM 306 OG SER A 22 -0.070 -12.810 10.795 1.00 0.00 O ATOM 0 H SER A 22 -1.502 -13.190 7.333 1.00 0.00 H new ATOM 0 HA SER A 22 -0.140 -11.272 8.832 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.374 -13.584 9.402 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.259 -14.216 9.327 1.00 0.00 H new ATOM 0 HG SER A 22 -0.306 -13.492 11.458 1.00 0.00 H new ATOM 312 N LYS A 23 1.777 -13.160 6.999 1.00 0.00 N ATOM 313 CA LYS A 23 3.143 -13.361 6.532 1.00 0.00 C ATOM 314 C LYS A 23 3.572 -12.230 5.603 1.00 0.00 C ATOM 315 O LYS A 23 4.404 -12.424 4.716 1.00 0.00 O ATOM 316 CB LYS A 23 3.264 -14.704 5.809 1.00 0.00 C ATOM 317 CG LYS A 23 3.338 -15.896 6.748 1.00 0.00 C ATOM 318 CD LYS A 23 4.731 -16.061 7.331 1.00 0.00 C ATOM 319 CE LYS A 23 4.844 -17.339 8.149 1.00 0.00 C ATOM 320 NZ LYS A 23 4.143 -18.479 7.497 1.00 0.00 N ATOM 0 H LYS A 23 1.069 -13.654 6.455 1.00 0.00 H new ATOM 0 HA LYS A 23 3.801 -13.363 7.401 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.409 -14.828 5.145 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.155 -14.690 5.182 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.617 -15.769 7.556 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.058 -16.802 6.210 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.465 -16.077 6.525 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.968 -15.203 7.960 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.896 -17.590 8.287 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.423 -17.174 9.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.677 -19.356 7.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.188 -18.574 7.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.073 -18.305 6.474 1.00 0.00 H new ATOM 334 N VAL A 24 3.001 -11.048 5.813 1.00 0.00 N ATOM 335 CA VAL A 24 3.327 -9.886 4.995 1.00 0.00 C ATOM 336 C VAL A 24 3.877 -8.749 5.850 1.00 0.00 C ATOM 337 O VAL A 24 3.266 -8.350 6.841 1.00 0.00 O ATOM 338 CB VAL A 24 2.095 -9.381 4.221 1.00 0.00 C ATOM 339 CG1 VAL A 24 2.361 -8.003 3.633 1.00 0.00 C ATOM 340 CG2 VAL A 24 1.708 -10.369 3.132 1.00 0.00 C ATOM 0 H VAL A 24 2.311 -10.870 6.542 1.00 0.00 H new ATOM 0 HA VAL A 24 4.089 -10.204 4.283 1.00 0.00 H new ATOM 0 HB VAL A 24 1.260 -9.297 4.917 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.479 -7.663 3.090 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.585 -7.302 4.437 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.209 -8.056 2.951 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.836 -9.996 2.595 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.539 -10.487 2.436 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.472 -11.333 3.583 1.00 0.00 H new ATOM 350 N THR A 25 5.037 -8.231 5.459 1.00 0.00 N ATOM 351 CA THR A 25 5.672 -7.140 6.189 1.00 0.00 C ATOM 352 C THR A 25 6.205 -6.077 5.236 1.00 0.00 C ATOM 353 O THR A 25 6.707 -6.393 4.157 1.00 0.00 O ATOM 354 CB THR A 25 6.828 -7.651 7.069 1.00 0.00 C ATOM 355 OG1 THR A 25 7.793 -8.335 6.261 1.00 0.00 O ATOM 356 CG2 THR A 25 6.312 -8.586 8.152 1.00 0.00 C ATOM 0 H THR A 25 5.556 -8.549 4.641 1.00 0.00 H new ATOM 0 HA THR A 25 4.906 -6.700 6.828 1.00 0.00 H new ATOM 0 HB THR A 25 7.298 -6.792 7.547 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.526 -8.655 6.827 1.00 0.00 H new ATOM 0 HG21 THR A 25 7.147 -8.934 8.760 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.600 -8.054 8.783 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.819 -9.441 7.690 1.00 0.00 H new ATOM 364 N ALA A 26 6.094 -4.816 5.641 1.00 0.00 N ATOM 365 CA ALA A 26 6.568 -3.707 4.823 1.00 0.00 C ATOM 366 C ALA A 26 7.648 -2.912 5.549 1.00 0.00 C ATOM 367 O ALA A 26 7.581 -2.720 6.763 1.00 0.00 O ATOM 368 CB ALA A 26 5.408 -2.798 4.443 1.00 0.00 C ATOM 0 H ALA A 26 5.680 -4.537 6.531 1.00 0.00 H new ATOM 0 HA ALA A 26 7.006 -4.120 3.914 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.777 -1.974 3.832 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.670 -3.367 3.878 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.946 -2.401 5.347 1.00 0.00 H new ATOM 374 N SER A 27 8.644 -2.453 4.797 1.00 0.00 N ATOM 375 CA SER A 27 9.742 -1.683 5.371 1.00 0.00 C ATOM 376 C SER A 27 10.223 -0.614 4.395 1.00 0.00 C ATOM 377 O SER A 27 10.418 -0.881 3.210 1.00 0.00 O ATOM 378 CB SER A 27 10.902 -2.608 5.743 1.00 0.00 C ATOM 379 OG SER A 27 10.546 -3.466 6.814 1.00 0.00 O ATOM 0 H SER A 27 8.713 -2.601 3.790 1.00 0.00 H new ATOM 0 HA SER A 27 9.376 -1.191 6.272 1.00 0.00 H new ATOM 0 HB2 SER A 27 11.189 -3.203 4.876 1.00 0.00 H new ATOM 0 HB3 SER A 27 11.771 -2.012 6.023 1.00 0.00 H new ATOM 0 HG SER A 27 11.303 -4.048 7.032 1.00 0.00 H new ATOM 385 N GLY A 28 10.412 0.601 4.903 1.00 0.00 N ATOM 386 CA GLY A 28 10.868 1.693 4.063 1.00 0.00 C ATOM 387 C GLY A 28 10.584 3.051 4.674 1.00 0.00 C ATOM 388 O GLY A 28 10.084 3.160 5.794 1.00 0.00 O ATOM 0 H GLY A 28 10.257 0.848 5.881 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.940 1.592 3.891 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.381 1.627 3.090 1.00 0.00 H new ATOM 392 N PRO A 29 10.907 4.119 3.929 1.00 0.00 N ATOM 393 CA PRO A 29 10.694 5.496 4.385 1.00 0.00 C ATOM 394 C PRO A 29 9.215 5.863 4.445 1.00 0.00 C ATOM 395 O PRO A 29 8.795 6.649 5.293 1.00 0.00 O ATOM 396 CB PRO A 29 11.411 6.335 3.324 1.00 0.00 C ATOM 397 CG PRO A 29 11.407 5.484 2.101 1.00 0.00 C ATOM 398 CD PRO A 29 11.506 4.064 2.585 1.00 0.00 C ATOM 0 HA PRO A 29 11.068 5.654 5.397 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.895 7.279 3.151 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.427 6.579 3.633 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.496 5.637 1.522 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.244 5.733 1.449 1.00 0.00 H new ATOM 0 HD2 PRO A 29 10.966 3.378 1.932 1.00 0.00 H new ATOM 0 HD3 PRO A 29 12.541 3.723 2.620 1.00 0.00 H new ATOM 406 N GLY A 30 8.429 5.289 3.539 1.00 0.00 N ATOM 407 CA GLY A 30 7.006 5.569 3.507 1.00 0.00 C ATOM 408 C GLY A 30 6.313 5.200 4.804 1.00 0.00 C ATOM 409 O GLY A 30 5.313 5.813 5.179 1.00 0.00 O ATOM 0 H GLY A 30 8.753 4.635 2.827 1.00 0.00 H new ATOM 0 HA2 GLY A 30 6.852 6.629 3.305 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.549 5.018 2.685 1.00 0.00 H new ATOM 413 N LEU A 31 6.844 4.195 5.491 1.00 0.00 N ATOM 414 CA LEU A 31 6.270 3.743 6.753 1.00 0.00 C ATOM 415 C LEU A 31 7.143 4.166 7.931 1.00 0.00 C ATOM 416 O LEU A 31 7.157 3.510 8.973 1.00 0.00 O ATOM 417 CB LEU A 31 6.105 2.222 6.746 1.00 0.00 C ATOM 418 CG LEU A 31 5.439 1.625 5.506 1.00 0.00 C ATOM 419 CD1 LEU A 31 5.878 0.183 5.306 1.00 0.00 C ATOM 420 CD2 LEU A 31 3.924 1.712 5.621 1.00 0.00 C ATOM 0 H LEU A 31 7.672 3.677 5.195 1.00 0.00 H new ATOM 0 HA LEU A 31 5.290 4.208 6.865 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.090 1.769 6.858 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.521 1.936 7.621 1.00 0.00 H new ATOM 0 HG LEU A 31 5.752 2.202 4.636 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.394 -0.225 4.419 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.960 0.146 5.178 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.596 -0.408 6.178 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.466 1.283 4.730 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.594 1.160 6.501 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.626 2.756 5.715 1.00 0.00 H new ATOM 432 N SER A 32 7.868 5.266 7.758 1.00 0.00 N ATOM 433 CA SER A 32 8.745 5.776 8.806 1.00 0.00 C ATOM 434 C SER A 32 7.935 6.425 9.924 1.00 0.00 C ATOM 435 O SER A 32 7.254 7.429 9.710 1.00 0.00 O ATOM 436 CB SER A 32 9.735 6.787 8.225 1.00 0.00 C ATOM 437 OG SER A 32 10.411 7.488 9.254 1.00 0.00 O ATOM 0 H SER A 32 7.866 5.821 6.902 1.00 0.00 H new ATOM 0 HA SER A 32 9.299 4.935 9.223 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.460 6.270 7.596 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.205 7.494 7.587 1.00 0.00 H new ATOM 0 HG SER A 32 11.039 8.127 8.857 1.00 0.00 H new ATOM 443 N SER A 33 8.013 5.846 11.117 1.00 0.00 N ATOM 444 CA SER A 33 7.285 6.365 12.269 1.00 0.00 C ATOM 445 C SER A 33 8.059 7.498 12.936 1.00 0.00 C ATOM 446 O SER A 33 7.744 7.906 14.054 1.00 0.00 O ATOM 447 CB SER A 33 7.024 5.246 13.280 1.00 0.00 C ATOM 448 OG SER A 33 8.173 4.995 14.071 1.00 0.00 O ATOM 0 H SER A 33 8.574 5.016 11.312 1.00 0.00 H new ATOM 0 HA SER A 33 6.331 6.758 11.918 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.188 5.521 13.924 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.735 4.336 12.754 1.00 0.00 H new ATOM 0 HG SER A 33 7.980 4.277 14.710 1.00 0.00 H new ATOM 454 N TYR A 34 9.074 8.001 12.241 1.00 0.00 N ATOM 455 CA TYR A 34 9.896 9.085 12.766 1.00 0.00 C ATOM 456 C TYR A 34 9.494 10.421 12.148 1.00 0.00 C ATOM 457 O TYR A 34 9.623 11.472 12.775 1.00 0.00 O ATOM 458 CB TYR A 34 11.375 8.809 12.493 1.00 0.00 C ATOM 459 CG TYR A 34 12.223 10.060 12.434 1.00 0.00 C ATOM 460 CD1 TYR A 34 12.256 10.846 11.289 1.00 0.00 C ATOM 461 CD2 TYR A 34 12.993 10.454 13.521 1.00 0.00 C ATOM 462 CE1 TYR A 34 13.030 11.989 11.230 1.00 0.00 C ATOM 463 CE2 TYR A 34 13.768 11.596 13.471 1.00 0.00 C ATOM 464 CZ TYR A 34 13.784 12.360 12.323 1.00 0.00 C ATOM 465 OH TYR A 34 14.556 13.497 12.269 1.00 0.00 O ATOM 0 H TYR A 34 9.347 7.676 11.314 1.00 0.00 H new ATOM 0 HA TYR A 34 9.736 9.140 13.843 1.00 0.00 H new ATOM 0 HB2 TYR A 34 11.764 8.153 13.272 1.00 0.00 H new ATOM 0 HB3 TYR A 34 11.468 8.272 11.549 1.00 0.00 H new ATOM 0 HD1 TYR A 34 11.667 10.559 10.431 1.00 0.00 H new ATOM 0 HD2 TYR A 34 12.985 9.857 14.421 1.00 0.00 H new ATOM 0 HE1 TYR A 34 13.044 12.589 10.332 1.00 0.00 H new ATOM 0 HE2 TYR A 34 14.358 11.889 14.326 1.00 0.00 H new ATOM 0 HH TYR A 34 15.023 13.616 13.122 1.00 0.00 H new ATOM 475 N GLY A 35 9.004 10.371 10.913 1.00 0.00 N ATOM 476 CA GLY A 35 8.589 11.583 10.230 1.00 0.00 C ATOM 477 C GLY A 35 8.950 11.571 8.758 1.00 0.00 C ATOM 478 O GLY A 35 10.113 11.386 8.397 1.00 0.00 O ATOM 0 H GLY A 35 8.887 9.513 10.373 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.511 11.705 10.336 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.056 12.444 10.708 1.00 0.00 H new ATOM 482 N VAL A 36 7.951 11.766 7.903 1.00 0.00 N ATOM 483 CA VAL A 36 8.168 11.776 6.462 1.00 0.00 C ATOM 484 C VAL A 36 7.979 13.176 5.887 1.00 0.00 C ATOM 485 O VAL A 36 7.210 13.987 6.404 1.00 0.00 O ATOM 486 CB VAL A 36 7.214 10.805 5.743 1.00 0.00 C ATOM 487 CG1 VAL A 36 7.478 9.373 6.184 1.00 0.00 C ATOM 488 CG2 VAL A 36 5.766 11.192 6.002 1.00 0.00 C ATOM 0 H VAL A 36 6.983 11.919 8.184 1.00 0.00 H new ATOM 0 HA VAL A 36 9.196 11.453 6.295 1.00 0.00 H new ATOM 0 HB VAL A 36 7.398 10.870 4.671 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.794 8.701 5.665 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.506 9.102 5.943 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.323 9.289 7.260 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.105 10.495 5.486 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.566 11.157 7.073 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.588 12.202 5.633 1.00 0.00 H new ATOM 498 N PRO A 37 8.695 13.468 4.791 1.00 0.00 N ATOM 499 CA PRO A 37 8.622 14.769 4.121 1.00 0.00 C ATOM 500 C PRO A 37 7.284 14.988 3.424 1.00 0.00 C ATOM 501 O PRO A 37 6.846 14.160 2.627 1.00 0.00 O ATOM 502 CB PRO A 37 9.756 14.704 3.095 1.00 0.00 C ATOM 503 CG PRO A 37 9.942 13.250 2.828 1.00 0.00 C ATOM 504 CD PRO A 37 9.631 12.549 4.122 1.00 0.00 C ATOM 0 HA PRO A 37 8.713 15.596 4.825 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.497 15.244 2.184 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.669 15.155 3.484 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.279 12.911 2.032 1.00 0.00 H new ATOM 0 HG3 PRO A 37 10.962 13.040 2.505 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.181 11.571 3.951 1.00 0.00 H new ATOM 0 HD3 PRO A 37 10.530 12.387 4.717 1.00 0.00 H new ATOM 512 N ALA A 38 6.639 16.110 3.730 1.00 0.00 N ATOM 513 CA ALA A 38 5.352 16.438 3.130 1.00 0.00 C ATOM 514 C ALA A 38 5.519 16.881 1.681 1.00 0.00 C ATOM 515 O ALA A 38 6.487 17.559 1.336 1.00 0.00 O ATOM 516 CB ALA A 38 4.655 17.523 3.938 1.00 0.00 C ATOM 0 H ALA A 38 6.987 16.806 4.389 1.00 0.00 H new ATOM 0 HA ALA A 38 4.735 15.540 3.139 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.695 17.758 3.479 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.493 17.171 4.957 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.277 18.418 3.958 1.00 0.00 H new ATOM 522 N SER A 39 4.569 16.493 0.835 1.00 0.00 N ATOM 523 CA SER A 39 4.614 16.846 -0.579 1.00 0.00 C ATOM 524 C SER A 39 5.833 16.227 -1.255 1.00 0.00 C ATOM 525 O SER A 39 6.374 16.781 -2.214 1.00 0.00 O ATOM 526 CB SER A 39 4.640 18.366 -0.746 1.00 0.00 C ATOM 527 OG SER A 39 3.413 18.946 -0.336 1.00 0.00 O ATOM 0 H SER A 39 3.759 15.934 1.105 1.00 0.00 H new ATOM 0 HA SER A 39 3.717 16.451 -1.056 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.458 18.785 -0.160 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.834 18.617 -1.789 1.00 0.00 H new ATOM 0 HG SER A 39 3.456 19.918 -0.451 1.00 0.00 H new ATOM 533 N LEU A 40 6.262 15.076 -0.750 1.00 0.00 N ATOM 534 CA LEU A 40 7.418 14.380 -1.304 1.00 0.00 C ATOM 535 C LEU A 40 7.046 12.965 -1.735 1.00 0.00 C ATOM 536 O LEU A 40 6.360 12.232 -1.023 1.00 0.00 O ATOM 537 CB LEU A 40 8.550 14.331 -0.276 1.00 0.00 C ATOM 538 CG LEU A 40 9.570 15.468 -0.346 1.00 0.00 C ATOM 539 CD1 LEU A 40 10.220 15.518 -1.720 1.00 0.00 C ATOM 540 CD2 LEU A 40 8.909 16.799 -0.018 1.00 0.00 C ATOM 0 H LEU A 40 5.826 14.605 0.043 1.00 0.00 H new ATOM 0 HA LEU A 40 7.756 14.931 -2.182 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.109 14.326 0.721 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.080 13.386 -0.394 1.00 0.00 H new ATOM 0 HG LEU A 40 10.347 15.279 0.394 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.943 16.333 -1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.729 14.574 -1.916 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.455 15.682 -2.479 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.650 17.597 -0.073 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.111 16.995 -0.734 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.492 16.760 0.988 1.00 0.00 H new ATOM 552 N PRO A 41 7.511 12.569 -2.930 1.00 0.00 N ATOM 553 CA PRO A 41 7.243 11.238 -3.482 1.00 0.00 C ATOM 554 C PRO A 41 7.975 10.137 -2.723 1.00 0.00 C ATOM 555 O PRO A 41 9.145 9.860 -2.985 1.00 0.00 O ATOM 556 CB PRO A 41 7.767 11.337 -4.917 1.00 0.00 C ATOM 557 CG PRO A 41 8.804 12.406 -4.868 1.00 0.00 C ATOM 558 CD PRO A 41 8.336 13.390 -3.832 1.00 0.00 C ATOM 0 HA PRO A 41 6.187 10.975 -3.416 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.190 10.389 -5.250 1.00 0.00 H new ATOM 0 HB3 PRO A 41 6.968 11.592 -5.614 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.777 11.993 -4.603 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.916 12.886 -5.840 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.173 13.848 -3.305 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.759 14.200 -4.279 1.00 0.00 H new ATOM 566 N VAL A 42 7.277 9.510 -1.780 1.00 0.00 N ATOM 567 CA VAL A 42 7.860 8.438 -0.983 1.00 0.00 C ATOM 568 C VAL A 42 7.178 7.105 -1.272 1.00 0.00 C ATOM 569 O VAL A 42 5.969 7.051 -1.497 1.00 0.00 O ATOM 570 CB VAL A 42 7.758 8.738 0.524 1.00 0.00 C ATOM 571 CG1 VAL A 42 6.302 8.880 0.942 1.00 0.00 C ATOM 572 CG2 VAL A 42 8.450 7.652 1.332 1.00 0.00 C ATOM 0 H VAL A 42 6.307 9.727 -1.550 1.00 0.00 H new ATOM 0 HA VAL A 42 8.912 8.373 -1.262 1.00 0.00 H new ATOM 0 HB VAL A 42 8.263 9.683 0.724 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.249 9.092 2.010 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.842 9.697 0.387 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.770 7.953 0.729 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.368 7.881 2.395 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.977 6.691 1.130 1.00 0.00 H new ATOM 0 HG23 VAL A 42 9.502 7.604 1.052 1.00 0.00 H new ATOM 582 N ASP A 43 7.961 6.032 -1.264 1.00 0.00 N ATOM 583 CA ASP A 43 7.432 4.698 -1.524 1.00 0.00 C ATOM 584 C ASP A 43 8.132 3.657 -0.655 1.00 0.00 C ATOM 585 O ASP A 43 9.332 3.755 -0.397 1.00 0.00 O ATOM 586 CB ASP A 43 7.595 4.340 -3.002 1.00 0.00 C ATOM 587 CG ASP A 43 9.019 3.949 -3.349 1.00 0.00 C ATOM 588 OD1 ASP A 43 9.933 4.767 -3.114 1.00 0.00 O ATOM 589 OD2 ASP A 43 9.218 2.825 -3.854 1.00 0.00 O ATOM 0 H ASP A 43 8.964 6.060 -1.080 1.00 0.00 H new ATOM 0 HA ASP A 43 6.371 4.700 -1.274 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.925 3.517 -3.250 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.295 5.191 -3.614 1.00 0.00 H new ATOM 594 N PHE A 44 7.374 2.662 -0.206 1.00 0.00 N ATOM 595 CA PHE A 44 7.921 1.605 0.636 1.00 0.00 C ATOM 596 C PHE A 44 8.080 0.308 -0.154 1.00 0.00 C ATOM 597 O PHE A 44 7.689 0.226 -1.318 1.00 0.00 O ATOM 598 CB PHE A 44 7.017 1.369 1.848 1.00 0.00 C ATOM 599 CG PHE A 44 5.557 1.310 1.504 1.00 0.00 C ATOM 600 CD1 PHE A 44 4.827 2.474 1.318 1.00 0.00 C ATOM 601 CD2 PHE A 44 4.912 0.091 1.366 1.00 0.00 C ATOM 602 CE1 PHE A 44 3.483 2.423 1.001 1.00 0.00 C ATOM 603 CE2 PHE A 44 3.569 0.034 1.049 1.00 0.00 C ATOM 604 CZ PHE A 44 2.853 1.202 0.867 1.00 0.00 C ATOM 0 H PHE A 44 6.380 2.566 -0.411 1.00 0.00 H new ATOM 0 HA PHE A 44 8.905 1.923 0.982 1.00 0.00 H new ATOM 0 HB2 PHE A 44 7.306 0.436 2.331 1.00 0.00 H new ATOM 0 HB3 PHE A 44 7.179 2.167 2.573 1.00 0.00 H new ATOM 0 HD1 PHE A 44 5.315 3.432 1.422 1.00 0.00 H new ATOM 0 HD2 PHE A 44 5.466 -0.825 1.508 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.926 3.337 0.858 1.00 0.00 H new ATOM 0 HE2 PHE A 44 3.079 -0.922 0.943 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.802 1.160 0.620 1.00 0.00 H new ATOM 614 N ALA A 45 8.657 -0.702 0.488 1.00 0.00 N ATOM 615 CA ALA A 45 8.866 -1.994 -0.152 1.00 0.00 C ATOM 616 C ALA A 45 8.169 -3.109 0.620 1.00 0.00 C ATOM 617 O ALA A 45 8.249 -3.169 1.848 1.00 0.00 O ATOM 618 CB ALA A 45 10.354 -2.286 -0.278 1.00 0.00 C ATOM 0 H ALA A 45 8.988 -0.650 1.451 1.00 0.00 H new ATOM 0 HA ALA A 45 8.430 -1.952 -1.150 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.495 -3.254 -0.758 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.827 -1.510 -0.880 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.807 -2.303 0.713 1.00 0.00 H new ATOM 624 N ILE A 46 7.487 -3.989 -0.105 1.00 0.00 N ATOM 625 CA ILE A 46 6.778 -5.102 0.513 1.00 0.00 C ATOM 626 C ILE A 46 7.454 -6.431 0.194 1.00 0.00 C ATOM 627 O ILE A 46 7.440 -6.887 -0.950 1.00 0.00 O ATOM 628 CB ILE A 46 5.310 -5.160 0.050 1.00 0.00 C ATOM 629 CG1 ILE A 46 4.631 -3.805 0.260 1.00 0.00 C ATOM 630 CG2 ILE A 46 4.562 -6.255 0.796 1.00 0.00 C ATOM 631 CD1 ILE A 46 3.443 -3.577 -0.648 1.00 0.00 C ATOM 0 H ILE A 46 7.411 -3.953 -1.121 1.00 0.00 H new ATOM 0 HA ILE A 46 6.805 -4.934 1.590 1.00 0.00 H new ATOM 0 HB ILE A 46 5.290 -5.393 -1.015 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.305 -3.728 1.297 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.361 -3.013 0.095 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.526 -6.283 0.458 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.034 -7.217 0.599 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.589 -6.050 1.866 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.012 -2.597 -0.444 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.766 -3.622 -1.688 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.694 -4.348 -0.468 1.00 0.00 H new ATOM 643 N ASP A 47 8.043 -7.048 1.212 1.00 0.00 N ATOM 644 CA ASP A 47 8.722 -8.327 1.041 1.00 0.00 C ATOM 645 C ASP A 47 7.918 -9.458 1.673 1.00 0.00 C ATOM 646 O ASP A 47 7.641 -9.441 2.872 1.00 0.00 O ATOM 647 CB ASP A 47 10.121 -8.272 1.657 1.00 0.00 C ATOM 648 CG ASP A 47 10.997 -7.215 1.014 1.00 0.00 C ATOM 649 OD1 ASP A 47 10.644 -6.020 1.100 1.00 0.00 O ATOM 650 OD2 ASP A 47 12.034 -7.582 0.422 1.00 0.00 O ATOM 0 H ASP A 47 8.064 -6.683 2.164 1.00 0.00 H new ATOM 0 HA ASP A 47 8.812 -8.523 -0.027 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.037 -8.069 2.725 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.598 -9.247 1.554 1.00 0.00 H new ATOM 655 N ALA A 48 7.545 -10.439 0.858 1.00 0.00 N ATOM 656 CA ALA A 48 6.773 -11.579 1.338 1.00 0.00 C ATOM 657 C ALA A 48 7.616 -12.850 1.342 1.00 0.00 C ATOM 658 O ALA A 48 8.193 -13.227 0.322 1.00 0.00 O ATOM 659 CB ALA A 48 5.529 -11.771 0.484 1.00 0.00 C ATOM 0 H ALA A 48 7.765 -10.467 -0.138 1.00 0.00 H new ATOM 0 HA ALA A 48 6.468 -11.374 2.364 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.962 -12.625 0.854 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.910 -10.875 0.536 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.822 -11.950 -0.551 1.00 0.00 H new ATOM 665 N ARG A 49 7.683 -13.507 2.496 1.00 0.00 N ATOM 666 CA ARG A 49 8.457 -14.734 2.632 1.00 0.00 C ATOM 667 C ARG A 49 7.569 -15.961 2.443 1.00 0.00 C ATOM 668 O ARG A 49 7.833 -16.804 1.586 1.00 0.00 O ATOM 669 CB ARG A 49 9.132 -14.787 4.004 1.00 0.00 C ATOM 670 CG ARG A 49 10.127 -13.663 4.237 1.00 0.00 C ATOM 671 CD ARG A 49 10.513 -13.555 5.704 1.00 0.00 C ATOM 672 NE ARG A 49 10.851 -12.185 6.082 1.00 0.00 N ATOM 673 CZ ARG A 49 11.637 -11.879 7.108 1.00 0.00 C ATOM 674 NH1 ARG A 49 12.164 -12.840 7.854 1.00 0.00 N ATOM 675 NH2 ARG A 49 11.898 -10.608 7.389 1.00 0.00 N ATOM 0 H ARG A 49 7.210 -13.209 3.350 1.00 0.00 H new ATOM 0 HA ARG A 49 9.223 -14.738 1.857 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.366 -14.749 4.778 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.645 -15.743 4.110 1.00 0.00 H new ATOM 0 HG2 ARG A 49 11.020 -13.836 3.637 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.696 -12.719 3.903 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.688 -13.909 6.323 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.364 -14.207 5.904 1.00 0.00 H new ATOM 0 HE ARG A 49 10.462 -11.422 5.528 1.00 0.00 H new ATOM 0 HH11 ARG A 49 11.966 -13.818 7.641 1.00 0.00 H new ATOM 0 HH12 ARG A 49 12.767 -12.602 8.641 1.00 0.00 H new ATOM 0 HH21 ARG A 49 11.495 -9.866 6.817 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.502 -10.373 8.177 1.00 0.00 H new ATOM 689 N ASP A 50 6.517 -16.053 3.249 1.00 0.00 N ATOM 690 CA ASP A 50 5.590 -17.176 3.170 1.00 0.00 C ATOM 691 C ASP A 50 4.204 -16.707 2.738 1.00 0.00 C ATOM 692 O ASP A 50 3.314 -17.518 2.483 1.00 0.00 O ATOM 693 CB ASP A 50 5.502 -17.889 4.520 1.00 0.00 C ATOM 694 CG ASP A 50 5.197 -19.367 4.375 1.00 0.00 C ATOM 695 OD1 ASP A 50 4.048 -19.703 4.020 1.00 0.00 O ATOM 696 OD2 ASP A 50 6.107 -20.187 4.617 1.00 0.00 O ATOM 0 H ASP A 50 6.285 -15.364 3.964 1.00 0.00 H new ATOM 0 HA ASP A 50 5.967 -17.874 2.423 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.444 -17.766 5.055 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.728 -17.419 5.126 1.00 0.00 H new ATOM 701 N ALA A 51 4.028 -15.392 2.659 1.00 0.00 N ATOM 702 CA ALA A 51 2.751 -14.814 2.257 1.00 0.00 C ATOM 703 C ALA A 51 2.334 -15.311 0.877 1.00 0.00 C ATOM 704 O ALA A 51 1.172 -15.196 0.491 1.00 0.00 O ATOM 705 CB ALA A 51 2.831 -13.295 2.272 1.00 0.00 C ATOM 0 H ALA A 51 4.754 -14.707 2.868 1.00 0.00 H new ATOM 0 HA ALA A 51 1.994 -15.133 2.973 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.871 -12.877 1.970 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.075 -12.953 3.278 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.605 -12.965 1.579 1.00 0.00 H new ATOM 711 N GLY A 52 3.291 -15.864 0.138 1.00 0.00 N ATOM 712 CA GLY A 52 3.003 -16.369 -1.192 1.00 0.00 C ATOM 713 C GLY A 52 2.449 -15.298 -2.111 1.00 0.00 C ATOM 714 O GLY A 52 2.838 -14.134 -2.023 1.00 0.00 O ATOM 0 H GLY A 52 4.260 -15.971 0.436 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.914 -16.780 -1.626 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.287 -17.187 -1.119 1.00 0.00 H new ATOM 718 N GLU A 53 1.541 -15.693 -2.998 1.00 0.00 N ATOM 719 CA GLU A 53 0.936 -14.758 -3.939 1.00 0.00 C ATOM 720 C GLU A 53 -0.543 -14.549 -3.624 1.00 0.00 C ATOM 721 O GLU A 53 -1.266 -15.499 -3.329 1.00 0.00 O ATOM 722 CB GLU A 53 1.096 -15.268 -5.373 1.00 0.00 C ATOM 723 CG GLU A 53 0.294 -14.477 -6.393 1.00 0.00 C ATOM 724 CD GLU A 53 0.878 -14.566 -7.789 1.00 0.00 C ATOM 725 OE1 GLU A 53 2.093 -14.319 -7.942 1.00 0.00 O ATOM 726 OE2 GLU A 53 0.120 -14.883 -8.730 1.00 0.00 O ATOM 0 H GLU A 53 1.209 -16.653 -3.085 1.00 0.00 H new ATOM 0 HA GLU A 53 1.449 -13.801 -3.842 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.151 -15.233 -5.646 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.790 -16.313 -5.414 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.732 -14.845 -6.408 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.253 -13.432 -6.086 1.00 0.00 H new ATOM 733 N GLY A 54 -0.984 -13.296 -3.688 1.00 0.00 N ATOM 734 CA GLY A 54 -2.373 -12.984 -3.407 1.00 0.00 C ATOM 735 C GLY A 54 -2.750 -11.580 -3.836 1.00 0.00 C ATOM 736 O GLY A 54 -1.882 -10.766 -4.156 1.00 0.00 O ATOM 0 H GLY A 54 -0.404 -12.492 -3.929 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.014 -13.702 -3.919 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.559 -13.096 -2.339 1.00 0.00 H new ATOM 740 N LEU A 55 -4.047 -11.294 -3.846 1.00 0.00 N ATOM 741 CA LEU A 55 -4.538 -9.979 -4.242 1.00 0.00 C ATOM 742 C LEU A 55 -4.079 -8.908 -3.258 1.00 0.00 C ATOM 743 O LEU A 55 -4.598 -8.809 -2.145 1.00 0.00 O ATOM 744 CB LEU A 55 -6.066 -9.987 -4.328 1.00 0.00 C ATOM 745 CG LEU A 55 -6.687 -9.001 -5.318 1.00 0.00 C ATOM 746 CD1 LEU A 55 -6.638 -9.561 -6.731 1.00 0.00 C ATOM 747 CD2 LEU A 55 -8.120 -8.679 -4.920 1.00 0.00 C ATOM 0 H LEU A 55 -4.778 -11.955 -3.584 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.126 -9.746 -5.224 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.390 -10.993 -4.596 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.467 -9.777 -3.336 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.107 -8.078 -5.295 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.084 -8.846 -7.422 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.601 -9.741 -7.015 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.193 -10.498 -6.770 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.547 -7.976 -5.635 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.711 -9.595 -4.915 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.130 -8.235 -3.925 1.00 0.00 H new ATOM 759 N LEU A 56 -3.106 -8.106 -3.675 1.00 0.00 N ATOM 760 CA LEU A 56 -2.577 -7.040 -2.831 1.00 0.00 C ATOM 761 C LEU A 56 -3.286 -5.719 -3.116 1.00 0.00 C ATOM 762 O LEU A 56 -3.575 -5.394 -4.267 1.00 0.00 O ATOM 763 CB LEU A 56 -1.072 -6.883 -3.056 1.00 0.00 C ATOM 764 CG LEU A 56 -0.405 -5.712 -2.334 1.00 0.00 C ATOM 765 CD1 LEU A 56 -0.019 -6.107 -0.917 1.00 0.00 C ATOM 766 CD2 LEU A 56 0.816 -5.235 -3.108 1.00 0.00 C ATOM 0 H LEU A 56 -2.667 -8.173 -4.593 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.756 -7.311 -1.790 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.580 -7.804 -2.744 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.894 -6.773 -4.126 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.119 -4.891 -2.278 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.454 -5.260 -0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.912 -6.400 -0.365 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.678 -6.944 -0.950 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.279 -4.401 -2.580 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.533 -6.051 -3.196 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.512 -4.910 -4.103 1.00 0.00 H new ATOM 778 N ALA A 57 -3.560 -4.961 -2.059 1.00 0.00 N ATOM 779 CA ALA A 57 -4.231 -3.674 -2.196 1.00 0.00 C ATOM 780 C ALA A 57 -3.669 -2.656 -1.209 1.00 0.00 C ATOM 781 O ALA A 57 -3.242 -3.011 -0.111 1.00 0.00 O ATOM 782 CB ALA A 57 -5.730 -3.836 -1.995 1.00 0.00 C ATOM 0 H ALA A 57 -3.328 -5.216 -1.099 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.050 -3.302 -3.205 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.218 -2.867 -2.100 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.125 -4.524 -2.742 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.923 -4.233 -0.998 1.00 0.00 H new ATOM 788 N VAL A 58 -3.673 -1.388 -1.608 1.00 0.00 N ATOM 789 CA VAL A 58 -3.165 -0.317 -0.759 1.00 0.00 C ATOM 790 C VAL A 58 -4.202 0.787 -0.586 1.00 0.00 C ATOM 791 O VAL A 58 -4.561 1.469 -1.545 1.00 0.00 O ATOM 792 CB VAL A 58 -1.874 0.292 -1.337 1.00 0.00 C ATOM 793 CG1 VAL A 58 -1.431 1.488 -0.508 1.00 0.00 C ATOM 794 CG2 VAL A 58 -0.774 -0.757 -1.404 1.00 0.00 C ATOM 0 H VAL A 58 -4.023 -1.077 -2.514 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.946 -0.760 0.212 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.077 0.637 -2.351 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.517 1.906 -0.931 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.214 2.246 -0.516 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.244 1.170 0.518 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.131 -0.309 -1.815 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.570 -1.134 -0.402 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.094 -1.580 -2.043 1.00 0.00 H new ATOM 804 N GLN A 59 -4.678 0.956 0.643 1.00 0.00 N ATOM 805 CA GLN A 59 -5.675 1.978 0.941 1.00 0.00 C ATOM 806 C GLN A 59 -5.072 3.096 1.786 1.00 0.00 C ATOM 807 O GLN A 59 -4.734 2.892 2.952 1.00 0.00 O ATOM 808 CB GLN A 59 -6.868 1.359 1.670 1.00 0.00 C ATOM 809 CG GLN A 59 -8.079 2.275 1.743 1.00 0.00 C ATOM 810 CD GLN A 59 -9.016 1.916 2.879 1.00 0.00 C ATOM 811 OE1 GLN A 59 -8.704 1.062 3.710 1.00 0.00 O ATOM 812 NE2 GLN A 59 -10.172 2.567 2.922 1.00 0.00 N ATOM 0 H GLN A 59 -4.390 0.399 1.448 1.00 0.00 H new ATOM 0 HA GLN A 59 -6.016 2.404 -0.003 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -7.152 0.435 1.166 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -6.565 1.090 2.682 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.744 3.305 1.866 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.623 2.227 0.800 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -10.390 3.267 2.213 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -10.843 2.367 3.664 1.00 0.00 H new ATOM 821 N ILE A 60 -4.940 4.276 1.189 1.00 0.00 N ATOM 822 CA ILE A 60 -4.379 5.426 1.887 1.00 0.00 C ATOM 823 C ILE A 60 -5.438 6.498 2.120 1.00 0.00 C ATOM 824 O ILE A 60 -6.185 6.858 1.209 1.00 0.00 O ATOM 825 CB ILE A 60 -3.204 6.041 1.104 1.00 0.00 C ATOM 826 CG1 ILE A 60 -2.135 4.982 0.829 1.00 0.00 C ATOM 827 CG2 ILE A 60 -2.611 7.212 1.873 1.00 0.00 C ATOM 828 CD1 ILE A 60 -1.113 5.408 -0.201 1.00 0.00 C ATOM 0 H ILE A 60 -5.214 4.460 0.224 1.00 0.00 H new ATOM 0 HA ILE A 60 -4.014 5.065 2.849 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.577 6.410 0.149 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.622 4.745 1.761 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.621 4.067 0.490 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.782 7.636 1.307 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.376 7.974 2.022 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.250 6.866 2.841 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.387 4.608 -0.345 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.614 5.618 -1.146 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.600 6.306 0.145 1.00 0.00 H new ATOM 840 N THR A 61 -5.497 7.008 3.346 1.00 0.00 N ATOM 841 CA THR A 61 -6.463 8.041 3.699 1.00 0.00 C ATOM 842 C THR A 61 -5.816 9.134 4.541 1.00 0.00 C ATOM 843 O THR A 61 -4.744 8.938 5.113 1.00 0.00 O ATOM 844 CB THR A 61 -7.657 7.451 4.473 1.00 0.00 C ATOM 845 OG1 THR A 61 -7.208 6.410 5.348 1.00 0.00 O ATOM 846 CG2 THR A 61 -8.704 6.900 3.516 1.00 0.00 C ATOM 0 H THR A 61 -4.887 6.722 4.112 1.00 0.00 H new ATOM 0 HA THR A 61 -6.822 8.472 2.764 1.00 0.00 H new ATOM 0 HB THR A 61 -8.110 8.249 5.061 1.00 0.00 H new ATOM 0 HG1 THR A 61 -6.229 6.420 5.393 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.537 6.489 4.086 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.065 7.701 2.872 1.00 0.00 H new ATOM 0 HG23 THR A 61 -8.260 6.115 2.904 1.00 0.00 H new ATOM 854 N ASP A 62 -6.475 10.286 4.613 1.00 0.00 N ATOM 855 CA ASP A 62 -5.964 11.411 5.387 1.00 0.00 C ATOM 856 C ASP A 62 -6.576 11.431 6.785 1.00 0.00 C ATOM 857 O ASP A 62 -7.379 10.566 7.133 1.00 0.00 O ATOM 858 CB ASP A 62 -6.261 12.729 4.669 1.00 0.00 C ATOM 859 CG ASP A 62 -5.607 12.803 3.303 1.00 0.00 C ATOM 860 OD1 ASP A 62 -5.718 11.822 2.538 1.00 0.00 O ATOM 861 OD2 ASP A 62 -4.982 13.841 3.000 1.00 0.00 O ATOM 0 H ASP A 62 -7.363 10.465 4.145 1.00 0.00 H new ATOM 0 HA ASP A 62 -4.885 11.293 5.483 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.339 12.845 4.559 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.912 13.560 5.282 1.00 0.00 H new ATOM 866 N GLN A 63 -6.189 12.423 7.580 1.00 0.00 N ATOM 867 CA GLN A 63 -6.698 12.554 8.941 1.00 0.00 C ATOM 868 C GLN A 63 -8.222 12.490 8.960 1.00 0.00 C ATOM 869 O GLN A 63 -8.814 11.857 9.833 1.00 0.00 O ATOM 870 CB GLN A 63 -6.223 13.869 9.561 1.00 0.00 C ATOM 871 CG GLN A 63 -6.781 15.104 8.873 1.00 0.00 C ATOM 872 CD GLN A 63 -5.983 16.355 9.181 1.00 0.00 C ATOM 873 OE1 GLN A 63 -6.072 16.909 10.277 1.00 0.00 O ATOM 874 NE2 GLN A 63 -5.195 16.807 8.213 1.00 0.00 N ATOM 0 H GLN A 63 -5.525 13.147 7.306 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.310 11.722 9.529 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.509 13.889 10.613 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.134 13.905 9.526 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -6.792 14.941 7.795 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -7.815 15.252 9.184 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.152 16.316 7.320 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.633 17.645 8.363 1.00 0.00 H new ATOM 883 N GLU A 64 -8.849 13.151 7.992 1.00 0.00 N ATOM 884 CA GLU A 64 -10.304 13.169 7.899 1.00 0.00 C ATOM 885 C GLU A 64 -10.815 11.965 7.114 1.00 0.00 C ATOM 886 O GLU A 64 -11.949 11.525 7.299 1.00 0.00 O ATOM 887 CB GLU A 64 -10.779 14.463 7.235 1.00 0.00 C ATOM 888 CG GLU A 64 -12.278 14.508 6.990 1.00 0.00 C ATOM 889 CD GLU A 64 -13.074 14.655 8.272 1.00 0.00 C ATOM 890 OE1 GLU A 64 -12.676 14.052 9.291 1.00 0.00 O ATOM 891 OE2 GLU A 64 -14.096 15.373 8.256 1.00 0.00 O ATOM 0 H GLU A 64 -8.373 13.681 7.262 1.00 0.00 H new ATOM 0 HA GLU A 64 -10.707 13.119 8.911 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.497 15.308 7.863 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.260 14.585 6.284 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -12.509 15.341 6.326 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -12.586 13.597 6.478 1.00 0.00 H new ATOM 898 N GLY A 65 -9.969 11.436 6.235 1.00 0.00 N ATOM 899 CA GLY A 65 -10.352 10.288 5.434 1.00 0.00 C ATOM 900 C GLY A 65 -10.531 10.637 3.970 1.00 0.00 C ATOM 901 O GLY A 65 -11.522 10.253 3.349 1.00 0.00 O ATOM 0 H GLY A 65 -9.025 11.782 6.063 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.592 9.512 5.529 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -11.282 9.872 5.822 1.00 0.00 H new ATOM 905 N LYS A 66 -9.571 11.370 3.416 1.00 0.00 N ATOM 906 CA LYS A 66 -9.626 11.772 2.015 1.00 0.00 C ATOM 907 C LYS A 66 -8.797 10.832 1.146 1.00 0.00 C ATOM 908 O LYS A 66 -7.830 10.218 1.600 1.00 0.00 O ATOM 909 CB LYS A 66 -9.123 13.208 1.856 1.00 0.00 C ATOM 910 CG LYS A 66 -10.041 14.247 2.477 1.00 0.00 C ATOM 911 CD LYS A 66 -9.869 15.606 1.821 1.00 0.00 C ATOM 912 CE LYS A 66 -10.843 15.796 0.668 1.00 0.00 C ATOM 913 NZ LYS A 66 -10.263 15.345 -0.628 1.00 0.00 N ATOM 0 H LYS A 66 -8.745 11.698 3.916 1.00 0.00 H new ATOM 0 HA LYS A 66 -10.664 11.719 1.688 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -8.135 13.290 2.310 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.005 13.427 0.795 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.077 13.923 2.379 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.832 14.328 3.544 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -10.023 16.391 2.562 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -8.847 15.708 1.456 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.758 15.239 0.870 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -11.120 16.848 0.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -10.357 16.104 -1.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -9.257 15.116 -0.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.770 14.500 -0.960 1.00 0.00 H new ATOM 927 N PRO A 67 -9.179 10.716 -0.134 1.00 0.00 N ATOM 928 CA PRO A 67 -8.483 9.854 -1.093 1.00 0.00 C ATOM 929 C PRO A 67 -7.100 10.386 -1.453 1.00 0.00 C ATOM 930 O PRO A 67 -6.923 11.584 -1.677 1.00 0.00 O ATOM 931 CB PRO A 67 -9.399 9.875 -2.319 1.00 0.00 C ATOM 932 CG PRO A 67 -10.143 11.161 -2.214 1.00 0.00 C ATOM 933 CD PRO A 67 -10.322 11.417 -0.743 1.00 0.00 C ATOM 0 HA PRO A 67 -8.308 8.856 -0.691 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -8.824 9.825 -3.244 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -10.079 9.023 -2.320 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -9.589 11.972 -2.687 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.107 11.097 -2.719 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.307 12.483 -0.516 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.273 11.027 -0.380 1.00 0.00 H new ATOM 941 N LYS A 68 -6.121 9.489 -1.508 1.00 0.00 N ATOM 942 CA LYS A 68 -4.754 9.868 -1.842 1.00 0.00 C ATOM 943 C LYS A 68 -4.247 9.073 -3.042 1.00 0.00 C ATOM 944 O LYS A 68 -4.381 7.851 -3.090 1.00 0.00 O ATOM 945 CB LYS A 68 -3.832 9.641 -0.641 1.00 0.00 C ATOM 946 CG LYS A 68 -3.874 10.767 0.378 1.00 0.00 C ATOM 947 CD LYS A 68 -2.808 11.813 0.098 1.00 0.00 C ATOM 948 CE LYS A 68 -3.311 12.876 -0.867 1.00 0.00 C ATOM 949 NZ LYS A 68 -3.002 12.532 -2.282 1.00 0.00 N ATOM 0 H LYS A 68 -6.250 8.494 -1.325 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.750 10.927 -2.101 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.110 8.708 -0.151 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.809 9.522 -0.996 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.858 11.236 0.363 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.731 10.359 1.379 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -2.504 12.283 1.033 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.924 11.331 -0.319 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.388 12.993 -0.749 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.857 13.835 -0.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.237 13.145 -2.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.703 11.538 -2.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.850 12.673 -2.867 1.00 0.00 H new ATOM 963 N ARG A 69 -3.664 9.776 -4.007 1.00 0.00 N ATOM 964 CA ARG A 69 -3.137 9.136 -5.207 1.00 0.00 C ATOM 965 C ARG A 69 -2.049 8.128 -4.851 1.00 0.00 C ATOM 966 O ARG A 69 -1.052 8.473 -4.218 1.00 0.00 O ATOM 967 CB ARG A 69 -2.580 10.187 -6.169 1.00 0.00 C ATOM 968 CG ARG A 69 -2.562 9.736 -7.620 1.00 0.00 C ATOM 969 CD ARG A 69 -2.519 10.921 -8.571 1.00 0.00 C ATOM 970 NE ARG A 69 -3.856 11.414 -8.892 1.00 0.00 N ATOM 971 CZ ARG A 69 -4.634 10.877 -9.825 1.00 0.00 C ATOM 972 NH1 ARG A 69 -4.210 9.834 -10.526 1.00 0.00 N ATOM 973 NH2 ARG A 69 -5.838 11.382 -10.059 1.00 0.00 N ATOM 0 H ARG A 69 -3.544 10.789 -3.982 1.00 0.00 H new ATOM 0 HA ARG A 69 -3.955 8.605 -5.695 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -3.177 11.095 -6.087 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -1.565 10.444 -5.865 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -1.696 9.098 -7.793 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -3.447 9.135 -7.826 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -1.934 11.724 -8.123 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -2.010 10.630 -9.490 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.212 12.215 -8.371 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.285 9.443 -10.349 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -4.809 9.423 -11.242 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -6.168 12.184 -9.522 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -6.434 10.968 -10.776 1.00 0.00 H new ATOM 987 N ALA A 70 -2.248 6.880 -5.263 1.00 0.00 N ATOM 988 CA ALA A 70 -1.283 5.822 -4.989 1.00 0.00 C ATOM 989 C ALA A 70 -0.848 5.130 -6.277 1.00 0.00 C ATOM 990 O ALA A 70 -1.674 4.817 -7.134 1.00 0.00 O ATOM 991 CB ALA A 70 -1.871 4.810 -4.017 1.00 0.00 C ATOM 0 H ALA A 70 -3.069 6.577 -5.788 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.402 6.276 -4.535 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.140 4.026 -3.822 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.126 5.309 -3.082 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.769 4.369 -4.450 1.00 0.00 H new ATOM 997 N ILE A 71 0.454 4.896 -6.406 1.00 0.00 N ATOM 998 CA ILE A 71 0.998 4.241 -7.588 1.00 0.00 C ATOM 999 C ILE A 71 1.417 2.807 -7.280 1.00 0.00 C ATOM 1000 O ILE A 71 1.959 2.524 -6.211 1.00 0.00 O ATOM 1001 CB ILE A 71 2.210 5.008 -8.149 1.00 0.00 C ATOM 1002 CG1 ILE A 71 1.798 6.420 -8.570 1.00 0.00 C ATOM 1003 CG2 ILE A 71 2.816 4.255 -9.325 1.00 0.00 C ATOM 1004 CD1 ILE A 71 2.934 7.418 -8.534 1.00 0.00 C ATOM 0 H ILE A 71 1.151 5.151 -5.706 1.00 0.00 H new ATOM 0 HA ILE A 71 0.205 4.232 -8.336 1.00 0.00 H new ATOM 0 HB ILE A 71 2.964 5.088 -7.366 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.389 6.384 -9.580 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.999 6.767 -7.914 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.671 4.810 -9.710 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.142 3.268 -8.996 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.069 4.147 -10.112 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.568 8.397 -8.845 1.00 0.00 H new ATOM 0 HD12 ILE A 71 3.329 7.483 -7.520 1.00 0.00 H new ATOM 0 HD13 ILE A 71 3.724 7.094 -9.211 1.00 0.00 H new ATOM 1016 N VAL A 72 1.162 1.906 -8.223 1.00 0.00 N ATOM 1017 CA VAL A 72 1.515 0.502 -8.053 1.00 0.00 C ATOM 1018 C VAL A 72 2.660 0.107 -8.980 1.00 0.00 C ATOM 1019 O VAL A 72 2.485 0.013 -10.195 1.00 0.00 O ATOM 1020 CB VAL A 72 0.309 -0.417 -8.326 1.00 0.00 C ATOM 1021 CG1 VAL A 72 0.705 -1.878 -8.175 1.00 0.00 C ATOM 1022 CG2 VAL A 72 -0.845 -0.070 -7.396 1.00 0.00 C ATOM 0 H VAL A 72 0.712 2.123 -9.112 1.00 0.00 H new ATOM 0 HA VAL A 72 1.830 0.378 -7.017 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.021 -0.260 -9.353 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.160 -2.512 -8.372 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.498 -2.115 -8.885 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.061 -2.055 -7.160 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.689 -0.728 -7.602 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.529 -0.198 -6.361 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.145 0.965 -7.558 1.00 0.00 H new ATOM 1032 N HIS A 73 3.832 -0.124 -8.398 1.00 0.00 N ATOM 1033 CA HIS A 73 5.007 -0.510 -9.171 1.00 0.00 C ATOM 1034 C HIS A 73 5.227 -2.019 -9.108 1.00 0.00 C ATOM 1035 O HIS A 73 5.490 -2.574 -8.041 1.00 0.00 O ATOM 1036 CB HIS A 73 6.247 0.219 -8.654 1.00 0.00 C ATOM 1037 CG HIS A 73 6.456 1.563 -9.281 1.00 0.00 C ATOM 1038 ND1 HIS A 73 7.302 1.772 -10.349 1.00 0.00 N ATOM 1039 CD2 HIS A 73 5.922 2.771 -8.984 1.00 0.00 C ATOM 1040 CE1 HIS A 73 7.281 3.050 -10.682 1.00 0.00 C ATOM 1041 NE2 HIS A 73 6.451 3.678 -9.869 1.00 0.00 N ATOM 0 H HIS A 73 3.994 -0.051 -7.394 1.00 0.00 H new ATOM 0 HA HIS A 73 4.836 -0.228 -10.210 1.00 0.00 H new ATOM 0 HB2 HIS A 73 6.163 0.340 -7.574 1.00 0.00 H new ATOM 0 HB3 HIS A 73 7.125 -0.399 -8.838 1.00 0.00 H new ATOM 0 HD2 HIS A 73 5.212 2.982 -8.198 1.00 0.00 H new ATOM 0 HE1 HIS A 73 7.846 3.504 -11.483 1.00 0.00 H new ATOM 0 HE2 HIS A 73 6.238 4.675 -9.894 1.00 0.00 H new ATOM 1049 N ASP A 74 5.116 -2.676 -10.257 1.00 0.00 N ATOM 1050 CA ASP A 74 5.303 -4.120 -10.333 1.00 0.00 C ATOM 1051 C ASP A 74 6.772 -4.467 -10.552 1.00 0.00 C ATOM 1052 O ASP A 74 7.373 -4.067 -11.548 1.00 0.00 O ATOM 1053 CB ASP A 74 4.454 -4.707 -11.462 1.00 0.00 C ATOM 1054 CG ASP A 74 4.434 -3.822 -12.693 1.00 0.00 C ATOM 1055 OD1 ASP A 74 3.776 -2.761 -12.651 1.00 0.00 O ATOM 1056 OD2 ASP A 74 5.078 -4.189 -13.697 1.00 0.00 O ATOM 0 H ASP A 74 4.897 -2.232 -11.149 1.00 0.00 H new ATOM 0 HA ASP A 74 4.983 -4.553 -9.385 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.842 -5.689 -11.731 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.434 -4.853 -11.107 1.00 0.00 H new ATOM 1061 N ASN A 75 7.345 -5.214 -9.613 1.00 0.00 N ATOM 1062 CA ASN A 75 8.744 -5.613 -9.703 1.00 0.00 C ATOM 1063 C ASN A 75 8.870 -7.040 -10.229 1.00 0.00 C ATOM 1064 O ASN A 75 9.830 -7.375 -10.924 1.00 0.00 O ATOM 1065 CB ASN A 75 9.417 -5.502 -8.333 1.00 0.00 C ATOM 1066 CG ASN A 75 9.153 -4.165 -7.666 1.00 0.00 C ATOM 1067 OD1 ASN A 75 9.438 -3.110 -8.233 1.00 0.00 O ATOM 1068 ND2 ASN A 75 8.607 -4.205 -6.457 1.00 0.00 N ATOM 0 H ASN A 75 6.862 -5.555 -8.782 1.00 0.00 H new ATOM 0 HA ASN A 75 9.243 -4.941 -10.401 1.00 0.00 H new ATOM 0 HB2 ASN A 75 9.057 -6.304 -7.688 1.00 0.00 H new ATOM 0 HB3 ASN A 75 10.492 -5.642 -8.447 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.407 -3.338 -5.959 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.388 -5.103 -6.026 1.00 0.00 H new ATOM 1075 N LYS A 76 7.894 -7.877 -9.893 1.00 0.00 N ATOM 1076 CA LYS A 76 7.893 -9.267 -10.333 1.00 0.00 C ATOM 1077 C LYS A 76 9.156 -9.985 -9.869 1.00 0.00 C ATOM 1078 O LYS A 76 9.623 -10.922 -10.518 1.00 0.00 O ATOM 1079 CB LYS A 76 7.781 -9.342 -11.857 1.00 0.00 C ATOM 1080 CG LYS A 76 6.500 -8.737 -12.403 1.00 0.00 C ATOM 1081 CD LYS A 76 5.289 -9.586 -12.053 1.00 0.00 C ATOM 1082 CE LYS A 76 4.125 -9.312 -12.993 1.00 0.00 C ATOM 1083 NZ LYS A 76 2.843 -9.848 -12.459 1.00 0.00 N ATOM 0 H LYS A 76 7.093 -7.617 -9.317 1.00 0.00 H new ATOM 0 HA LYS A 76 7.030 -9.762 -9.888 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.634 -8.828 -12.301 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.841 -10.385 -12.166 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.370 -7.733 -12.000 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.576 -8.638 -13.486 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.557 -10.641 -12.102 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.985 -9.382 -11.026 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.031 -8.238 -13.152 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.330 -9.761 -13.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.075 -9.641 -13.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.923 -10.877 -12.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.634 -9.401 -11.543 1.00 0.00 H new ATOM 1097 N ASP A 77 9.704 -9.542 -8.743 1.00 0.00 N ATOM 1098 CA ASP A 77 10.912 -10.144 -8.191 1.00 0.00 C ATOM 1099 C ASP A 77 10.685 -10.597 -6.752 1.00 0.00 C ATOM 1100 O ASP A 77 11.613 -10.624 -5.945 1.00 0.00 O ATOM 1101 CB ASP A 77 12.074 -9.152 -8.249 1.00 0.00 C ATOM 1102 CG ASP A 77 13.425 -9.841 -8.234 1.00 0.00 C ATOM 1103 OD1 ASP A 77 13.530 -10.927 -7.625 1.00 0.00 O ATOM 1104 OD2 ASP A 77 14.376 -9.295 -8.830 1.00 0.00 O ATOM 0 H ASP A 77 9.331 -8.768 -8.194 1.00 0.00 H new ATOM 0 HA ASP A 77 11.160 -11.018 -8.793 1.00 0.00 H new ATOM 0 HB2 ASP A 77 11.987 -8.548 -9.152 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.008 -8.470 -7.402 1.00 0.00 H new ATOM 1109 N GLY A 78 9.442 -10.951 -6.437 1.00 0.00 N ATOM 1110 CA GLY A 78 9.115 -11.396 -5.095 1.00 0.00 C ATOM 1111 C GLY A 78 8.907 -10.241 -4.136 1.00 0.00 C ATOM 1112 O GLY A 78 9.058 -10.396 -2.923 1.00 0.00 O ATOM 0 H GLY A 78 8.656 -10.937 -7.087 1.00 0.00 H new ATOM 0 HA2 GLY A 78 8.211 -12.005 -5.127 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.916 -12.034 -4.722 1.00 0.00 H new ATOM 1116 N THR A 79 8.561 -9.078 -4.678 1.00 0.00 N ATOM 1117 CA THR A 79 8.335 -7.891 -3.863 1.00 0.00 C ATOM 1118 C THR A 79 7.340 -6.948 -4.529 1.00 0.00 C ATOM 1119 O THR A 79 6.881 -7.200 -5.643 1.00 0.00 O ATOM 1120 CB THR A 79 9.649 -7.131 -3.600 1.00 0.00 C ATOM 1121 OG1 THR A 79 10.310 -6.853 -4.840 1.00 0.00 O ATOM 1122 CG2 THR A 79 10.570 -7.938 -2.698 1.00 0.00 C ATOM 0 H THR A 79 8.431 -8.933 -5.679 1.00 0.00 H new ATOM 0 HA THR A 79 7.926 -8.234 -2.913 1.00 0.00 H new ATOM 0 HB THR A 79 9.407 -6.194 -3.099 1.00 0.00 H new ATOM 0 HG1 THR A 79 11.144 -6.368 -4.665 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.491 -7.381 -2.527 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.075 -8.123 -1.745 1.00 0.00 H new ATOM 0 HG23 THR A 79 10.805 -8.889 -3.175 1.00 0.00 H new ATOM 1130 N TYR A 80 7.009 -5.862 -3.839 1.00 0.00 N ATOM 1131 CA TYR A 80 6.066 -4.881 -4.364 1.00 0.00 C ATOM 1132 C TYR A 80 6.351 -3.494 -3.797 1.00 0.00 C ATOM 1133 O TYR A 80 6.629 -3.342 -2.608 1.00 0.00 O ATOM 1134 CB TYR A 80 4.631 -5.295 -4.033 1.00 0.00 C ATOM 1135 CG TYR A 80 4.244 -6.643 -4.599 1.00 0.00 C ATOM 1136 CD1 TYR A 80 3.868 -6.778 -5.929 1.00 0.00 C ATOM 1137 CD2 TYR A 80 4.254 -7.781 -3.802 1.00 0.00 C ATOM 1138 CE1 TYR A 80 3.513 -8.007 -6.450 1.00 0.00 C ATOM 1139 CE2 TYR A 80 3.902 -9.015 -4.315 1.00 0.00 C ATOM 1140 CZ TYR A 80 3.532 -9.122 -5.639 1.00 0.00 C ATOM 1141 OH TYR A 80 3.179 -10.349 -6.153 1.00 0.00 O ATOM 0 H TYR A 80 7.379 -5.639 -2.915 1.00 0.00 H new ATOM 0 HA TYR A 80 6.186 -4.842 -5.447 1.00 0.00 H new ATOM 0 HB2 TYR A 80 4.508 -5.316 -2.950 1.00 0.00 H new ATOM 0 HB3 TYR A 80 3.946 -4.539 -4.417 1.00 0.00 H new ATOM 0 HD1 TYR A 80 3.853 -5.907 -6.567 1.00 0.00 H new ATOM 0 HD2 TYR A 80 4.542 -7.700 -2.764 1.00 0.00 H new ATOM 0 HE1 TYR A 80 3.222 -8.094 -7.486 1.00 0.00 H new ATOM 0 HE2 TYR A 80 3.917 -9.890 -3.683 1.00 0.00 H new ATOM 0 HH TYR A 80 3.247 -11.029 -5.451 1.00 0.00 H new ATOM 1151 N ALA A 81 6.278 -2.484 -4.657 1.00 0.00 N ATOM 1152 CA ALA A 81 6.525 -1.108 -4.243 1.00 0.00 C ATOM 1153 C ALA A 81 5.263 -0.261 -4.372 1.00 0.00 C ATOM 1154 O ALA A 81 4.450 -0.474 -5.271 1.00 0.00 O ATOM 1155 CB ALA A 81 7.655 -0.504 -5.064 1.00 0.00 C ATOM 0 H ALA A 81 6.050 -2.592 -5.645 1.00 0.00 H new ATOM 0 HA ALA A 81 6.819 -1.118 -3.193 1.00 0.00 H new ATOM 0 HB1 ALA A 81 7.828 0.523 -4.744 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.564 -1.088 -4.917 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.384 -0.514 -6.120 1.00 0.00 H new ATOM 1161 N VAL A 82 5.106 0.700 -3.467 1.00 0.00 N ATOM 1162 CA VAL A 82 3.943 1.579 -3.480 1.00 0.00 C ATOM 1163 C VAL A 82 4.342 3.021 -3.186 1.00 0.00 C ATOM 1164 O VAL A 82 4.784 3.343 -2.082 1.00 0.00 O ATOM 1165 CB VAL A 82 2.888 1.130 -2.452 1.00 0.00 C ATOM 1166 CG1 VAL A 82 1.676 2.048 -2.493 1.00 0.00 C ATOM 1167 CG2 VAL A 82 2.482 -0.314 -2.702 1.00 0.00 C ATOM 0 H VAL A 82 5.770 0.889 -2.716 1.00 0.00 H new ATOM 0 HA VAL A 82 3.513 1.520 -4.480 1.00 0.00 H new ATOM 0 HB VAL A 82 3.327 1.193 -1.456 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.942 1.714 -1.760 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.984 3.067 -2.260 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.233 2.021 -3.488 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.736 -0.615 -1.966 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.062 -0.406 -3.704 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.357 -0.958 -2.615 1.00 0.00 H new ATOM 1177 N THR A 83 4.181 3.888 -4.180 1.00 0.00 N ATOM 1178 CA THR A 83 4.524 5.297 -4.030 1.00 0.00 C ATOM 1179 C THR A 83 3.294 6.129 -3.686 1.00 0.00 C ATOM 1180 O THR A 83 2.191 5.847 -4.156 1.00 0.00 O ATOM 1181 CB THR A 83 5.168 5.858 -5.311 1.00 0.00 C ATOM 1182 OG1 THR A 83 6.346 5.111 -5.635 1.00 0.00 O ATOM 1183 CG2 THR A 83 5.525 7.327 -5.139 1.00 0.00 C ATOM 0 H THR A 83 3.815 3.639 -5.099 1.00 0.00 H new ATOM 0 HA THR A 83 5.243 5.362 -3.213 1.00 0.00 H new ATOM 0 HB THR A 83 4.446 5.768 -6.123 1.00 0.00 H new ATOM 0 HG1 THR A 83 6.749 5.473 -6.452 1.00 0.00 H new ATOM 0 HG21 THR A 83 5.978 7.701 -6.057 1.00 0.00 H new ATOM 0 HG22 THR A 83 4.622 7.898 -4.921 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.230 7.436 -4.315 1.00 0.00 H new ATOM 1191 N TYR A 84 3.490 7.154 -2.865 1.00 0.00 N ATOM 1192 CA TYR A 84 2.395 8.026 -2.457 1.00 0.00 C ATOM 1193 C TYR A 84 2.904 9.430 -2.146 1.00 0.00 C ATOM 1194 O TYR A 84 3.882 9.601 -1.418 1.00 0.00 O ATOM 1195 CB TYR A 84 1.682 7.447 -1.234 1.00 0.00 C ATOM 1196 CG TYR A 84 2.391 7.731 0.071 1.00 0.00 C ATOM 1197 CD1 TYR A 84 2.207 8.937 0.736 1.00 0.00 C ATOM 1198 CD2 TYR A 84 3.246 6.795 0.638 1.00 0.00 C ATOM 1199 CE1 TYR A 84 2.853 9.202 1.928 1.00 0.00 C ATOM 1200 CE2 TYR A 84 3.896 7.050 1.830 1.00 0.00 C ATOM 1201 CZ TYR A 84 3.696 8.255 2.472 1.00 0.00 C ATOM 1202 OH TYR A 84 4.342 8.513 3.659 1.00 0.00 O ATOM 0 H TYR A 84 4.397 7.402 -2.469 1.00 0.00 H new ATOM 0 HA TYR A 84 1.688 8.090 -3.284 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.672 7.855 -1.186 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.584 6.368 -1.358 1.00 0.00 H new ATOM 0 HD1 TYR A 84 1.547 9.680 0.314 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.406 5.851 0.138 1.00 0.00 H new ATOM 0 HE1 TYR A 84 2.699 10.145 2.431 1.00 0.00 H new ATOM 0 HE2 TYR A 84 4.557 6.310 2.257 1.00 0.00 H new ATOM 0 HH TYR A 84 4.612 7.668 4.075 1.00 0.00 H new ATOM 1212 N ILE A 85 2.232 10.433 -2.702 1.00 0.00 N ATOM 1213 CA ILE A 85 2.614 11.822 -2.483 1.00 0.00 C ATOM 1214 C ILE A 85 1.597 12.540 -1.602 1.00 0.00 C ATOM 1215 O ILE A 85 0.546 12.987 -2.063 1.00 0.00 O ATOM 1216 CB ILE A 85 2.753 12.585 -3.814 1.00 0.00 C ATOM 1217 CG1 ILE A 85 3.898 12.002 -4.644 1.00 0.00 C ATOM 1218 CG2 ILE A 85 2.980 14.066 -3.555 1.00 0.00 C ATOM 1219 CD1 ILE A 85 3.851 12.399 -6.103 1.00 0.00 C ATOM 0 H ILE A 85 1.420 10.309 -3.307 1.00 0.00 H new ATOM 0 HA ILE A 85 3.581 11.807 -1.980 1.00 0.00 H new ATOM 0 HB ILE A 85 1.827 12.473 -4.378 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.847 12.327 -4.218 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.872 10.915 -4.571 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.076 14.591 -4.505 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.134 14.472 -3.000 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.893 14.198 -2.974 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.693 11.950 -6.630 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.918 12.050 -6.545 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.908 13.484 -6.187 1.00 0.00 H new ATOM 1231 N PRO A 86 1.916 12.656 -0.305 1.00 0.00 N ATOM 1232 CA PRO A 86 1.043 13.322 0.668 1.00 0.00 C ATOM 1233 C PRO A 86 0.975 14.829 0.449 1.00 0.00 C ATOM 1234 O PRO A 86 1.857 15.570 0.884 1.00 0.00 O ATOM 1235 CB PRO A 86 1.705 13.006 2.012 1.00 0.00 C ATOM 1236 CG PRO A 86 3.139 12.770 1.682 1.00 0.00 C ATOM 1237 CD PRO A 86 3.152 12.147 0.313 1.00 0.00 C ATOM 0 HA PRO A 86 0.012 12.977 0.594 1.00 0.00 H new ATOM 0 HB2 PRO A 86 1.591 13.833 2.713 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.256 12.129 2.478 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.700 13.704 1.691 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.605 12.111 2.415 1.00 0.00 H new ATOM 0 HD2 PRO A 86 4.035 12.441 -0.254 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.156 11.058 0.367 1.00 0.00 H new ATOM 1245 N ASP A 87 -0.077 15.277 -0.227 1.00 0.00 N ATOM 1246 CA ASP A 87 -0.261 16.697 -0.502 1.00 0.00 C ATOM 1247 C ASP A 87 -0.454 17.481 0.793 1.00 0.00 C ATOM 1248 O ASP A 87 0.328 18.378 1.110 1.00 0.00 O ATOM 1249 CB ASP A 87 -1.463 16.908 -1.424 1.00 0.00 C ATOM 1250 CG ASP A 87 -1.791 18.375 -1.621 1.00 0.00 C ATOM 1251 OD1 ASP A 87 -2.406 18.973 -0.714 1.00 0.00 O ATOM 1252 OD2 ASP A 87 -1.431 18.925 -2.683 1.00 0.00 O ATOM 0 H ASP A 87 -0.816 14.677 -0.595 1.00 0.00 H new ATOM 0 HA ASP A 87 0.637 17.065 -0.998 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.259 16.451 -2.392 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.331 16.397 -1.007 1.00 0.00 H new ATOM 1257 N LYS A 88 -1.500 17.137 1.536 1.00 0.00 N ATOM 1258 CA LYS A 88 -1.796 17.808 2.797 1.00 0.00 C ATOM 1259 C LYS A 88 -0.939 17.247 3.926 1.00 0.00 C ATOM 1260 O LYS A 88 -0.207 16.274 3.740 1.00 0.00 O ATOM 1261 CB LYS A 88 -3.279 17.654 3.143 1.00 0.00 C ATOM 1262 CG LYS A 88 -4.196 18.508 2.285 1.00 0.00 C ATOM 1263 CD LYS A 88 -5.634 18.020 2.348 1.00 0.00 C ATOM 1264 CE LYS A 88 -6.612 19.116 1.955 1.00 0.00 C ATOM 1265 NZ LYS A 88 -6.693 19.284 0.477 1.00 0.00 N ATOM 0 H LYS A 88 -2.157 16.398 1.287 1.00 0.00 H new ATOM 0 HA LYS A 88 -1.564 18.867 2.680 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -3.562 16.607 3.032 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -3.428 17.915 4.191 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -4.148 19.544 2.619 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.850 18.490 1.252 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -5.758 17.165 1.684 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -5.859 17.675 3.357 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -7.601 18.879 2.348 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -6.305 20.057 2.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -7.370 20.040 0.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -5.755 19.536 0.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -7.010 18.394 0.043 1.00 0.00 H new ATOM 1279 N THR A 89 -1.035 17.865 5.099 1.00 0.00 N ATOM 1280 CA THR A 89 -0.268 17.427 6.259 1.00 0.00 C ATOM 1281 C THR A 89 -1.187 16.937 7.372 1.00 0.00 C ATOM 1282 O THR A 89 -2.258 17.498 7.598 1.00 0.00 O ATOM 1283 CB THR A 89 0.622 18.560 6.804 1.00 0.00 C ATOM 1284 OG1 THR A 89 -0.170 19.725 7.061 1.00 0.00 O ATOM 1285 CG2 THR A 89 1.729 18.900 5.819 1.00 0.00 C ATOM 0 H THR A 89 -1.637 18.671 5.271 1.00 0.00 H new ATOM 0 HA THR A 89 0.366 16.605 5.927 1.00 0.00 H new ATOM 0 HB THR A 89 1.077 18.219 7.734 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.403 20.440 7.409 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.344 19.703 6.226 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.348 18.019 5.649 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.290 19.223 4.875 1.00 0.00 H new ATOM 1293 N GLY A 90 -0.760 15.886 8.066 1.00 0.00 N ATOM 1294 CA GLY A 90 -1.556 15.339 9.149 1.00 0.00 C ATOM 1295 C GLY A 90 -1.422 13.833 9.264 1.00 0.00 C ATOM 1296 O GLY A 90 -0.717 13.204 8.474 1.00 0.00 O ATOM 0 H GLY A 90 0.123 15.404 7.897 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.252 15.801 10.088 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.603 15.597 8.992 1.00 0.00 H new ATOM 1300 N ARG A 91 -2.097 13.254 10.251 1.00 0.00 N ATOM 1301 CA ARG A 91 -2.047 11.814 10.469 1.00 0.00 C ATOM 1302 C ARG A 91 -2.627 11.063 9.274 1.00 0.00 C ATOM 1303 O ARG A 91 -3.804 11.212 8.945 1.00 0.00 O ATOM 1304 CB ARG A 91 -2.813 11.441 11.739 1.00 0.00 C ATOM 1305 CG ARG A 91 -3.096 9.953 11.866 1.00 0.00 C ATOM 1306 CD ARG A 91 -3.388 9.562 13.306 1.00 0.00 C ATOM 1307 NE ARG A 91 -4.778 9.819 13.672 1.00 0.00 N ATOM 1308 CZ ARG A 91 -5.211 10.982 14.146 1.00 0.00 C ATOM 1309 NH1 ARG A 91 -4.365 11.990 14.311 1.00 0.00 N ATOM 1310 NH2 ARG A 91 -6.491 11.138 14.457 1.00 0.00 N ATOM 0 H ARG A 91 -2.685 13.760 10.913 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.002 11.526 10.586 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.241 11.769 12.607 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -3.758 11.984 11.756 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -3.946 9.688 11.237 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -2.240 9.386 11.501 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -3.166 8.504 13.446 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -2.729 10.117 13.973 1.00 0.00 H new ATOM 0 HE ARG A 91 -5.454 9.064 13.557 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -3.380 11.873 14.074 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -4.700 12.882 14.675 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -7.144 10.364 14.332 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.822 12.031 14.821 1.00 0.00 H new ATOM 1324 N TYR A 92 -1.792 10.256 8.627 1.00 0.00 N ATOM 1325 CA TYR A 92 -2.221 9.485 7.467 1.00 0.00 C ATOM 1326 C TYR A 92 -2.459 8.025 7.841 1.00 0.00 C ATOM 1327 O TYR A 92 -1.566 7.349 8.351 1.00 0.00 O ATOM 1328 CB TYR A 92 -1.175 9.573 6.354 1.00 0.00 C ATOM 1329 CG TYR A 92 -1.322 10.798 5.481 1.00 0.00 C ATOM 1330 CD1 TYR A 92 -2.285 10.851 4.480 1.00 0.00 C ATOM 1331 CD2 TYR A 92 -0.498 11.903 5.655 1.00 0.00 C ATOM 1332 CE1 TYR A 92 -2.422 11.968 3.679 1.00 0.00 C ATOM 1333 CE2 TYR A 92 -0.629 13.025 4.859 1.00 0.00 C ATOM 1334 CZ TYR A 92 -1.593 13.052 3.873 1.00 0.00 C ATOM 1335 OH TYR A 92 -1.726 14.167 3.077 1.00 0.00 O ATOM 0 H TYR A 92 -0.815 10.120 8.887 1.00 0.00 H new ATOM 0 HA TYR A 92 -3.160 9.908 7.109 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -0.181 9.573 6.800 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -1.245 8.682 5.730 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.937 10.004 4.326 1.00 0.00 H new ATOM 0 HD2 TYR A 92 0.258 11.885 6.426 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -3.175 11.992 2.905 1.00 0.00 H new ATOM 0 HE2 TYR A 92 0.020 13.876 5.008 1.00 0.00 H new ATOM 0 HH TYR A 92 -0.979 14.779 3.244 1.00 0.00 H new ATOM 1345 N MET A 93 -3.672 7.545 7.583 1.00 0.00 N ATOM 1346 CA MET A 93 -4.028 6.165 7.891 1.00 0.00 C ATOM 1347 C MET A 93 -3.976 5.298 6.637 1.00 0.00 C ATOM 1348 O MET A 93 -4.559 5.642 5.608 1.00 0.00 O ATOM 1349 CB MET A 93 -5.426 6.103 8.510 1.00 0.00 C ATOM 1350 CG MET A 93 -5.649 4.879 9.384 1.00 0.00 C ATOM 1351 SD MET A 93 -4.428 4.735 10.703 1.00 0.00 S ATOM 1352 CE MET A 93 -4.800 6.196 11.670 1.00 0.00 C ATOM 0 H MET A 93 -4.424 8.091 7.162 1.00 0.00 H new ATOM 0 HA MET A 93 -3.303 5.780 8.608 1.00 0.00 H new ATOM 0 HB2 MET A 93 -5.591 7.000 9.106 1.00 0.00 H new ATOM 0 HB3 MET A 93 -6.169 6.110 7.712 1.00 0.00 H new ATOM 0 HG2 MET A 93 -6.646 4.926 9.821 1.00 0.00 H new ATOM 0 HG3 MET A 93 -5.615 3.983 8.764 1.00 0.00 H new ATOM 0 HE1 MET A 93 -4.310 6.124 12.641 1.00 0.00 H new ATOM 0 HE2 MET A 93 -4.439 7.081 11.146 1.00 0.00 H new ATOM 0 HE3 MET A 93 -5.878 6.273 11.812 1.00 0.00 H new ATOM 1362 N ILE A 94 -3.276 4.173 6.730 1.00 0.00 N ATOM 1363 CA ILE A 94 -3.149 3.257 5.603 1.00 0.00 C ATOM 1364 C ILE A 94 -3.554 1.840 5.998 1.00 0.00 C ATOM 1365 O ILE A 94 -3.115 1.321 7.023 1.00 0.00 O ATOM 1366 CB ILE A 94 -1.710 3.233 5.056 1.00 0.00 C ATOM 1367 CG1 ILE A 94 -1.261 4.646 4.679 1.00 0.00 C ATOM 1368 CG2 ILE A 94 -1.614 2.303 3.856 1.00 0.00 C ATOM 1369 CD1 ILE A 94 0.234 4.776 4.491 1.00 0.00 C ATOM 0 H ILE A 94 -2.788 3.874 7.574 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.819 3.621 4.824 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.047 2.857 5.836 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.762 4.944 3.758 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.583 5.340 5.456 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.591 2.297 3.481 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.897 1.294 4.154 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.286 2.651 3.071 1.00 0.00 H new ATOM 0 HD11 ILE A 94 0.479 5.804 4.225 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.742 4.510 5.418 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.560 4.108 3.694 1.00 0.00 H new ATOM 1381 N GLY A 95 -4.394 1.220 5.175 1.00 0.00 N ATOM 1382 CA GLY A 95 -4.843 -0.132 5.454 1.00 0.00 C ATOM 1383 C GLY A 95 -4.491 -1.101 4.342 1.00 0.00 C ATOM 1384 O GLY A 95 -5.164 -1.146 3.312 1.00 0.00 O ATOM 0 H GLY A 95 -4.772 1.629 4.320 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -4.395 -0.475 6.386 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -5.923 -0.130 5.601 1.00 0.00 H new ATOM 1388 N VAL A 96 -3.432 -1.877 4.549 1.00 0.00 N ATOM 1389 CA VAL A 96 -2.992 -2.850 3.556 1.00 0.00 C ATOM 1390 C VAL A 96 -3.721 -4.177 3.726 1.00 0.00 C ATOM 1391 O VAL A 96 -3.944 -4.638 4.846 1.00 0.00 O ATOM 1392 CB VAL A 96 -1.474 -3.095 3.646 1.00 0.00 C ATOM 1393 CG1 VAL A 96 -1.023 -4.054 2.555 1.00 0.00 C ATOM 1394 CG2 VAL A 96 -0.716 -1.779 3.557 1.00 0.00 C ATOM 0 H VAL A 96 -2.863 -1.851 5.395 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.228 -2.433 2.577 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.253 -3.550 4.611 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.052 -4.215 2.634 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.542 -5.006 2.670 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.255 -3.629 1.578 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.355 -1.971 3.622 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.940 -1.293 2.607 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.019 -1.129 4.378 1.00 0.00 H new ATOM 1404 N THR A 97 -4.091 -4.791 2.606 1.00 0.00 N ATOM 1405 CA THR A 97 -4.796 -6.066 2.630 1.00 0.00 C ATOM 1406 C THR A 97 -4.162 -7.063 1.667 1.00 0.00 C ATOM 1407 O THR A 97 -3.658 -6.685 0.609 1.00 0.00 O ATOM 1408 CB THR A 97 -6.283 -5.893 2.266 1.00 0.00 C ATOM 1409 OG1 THR A 97 -6.406 -5.148 1.049 1.00 0.00 O ATOM 1410 CG2 THR A 97 -7.034 -5.181 3.380 1.00 0.00 C ATOM 0 H THR A 97 -3.914 -4.425 1.671 1.00 0.00 H new ATOM 0 HA THR A 97 -4.721 -6.449 3.648 1.00 0.00 H new ATOM 0 HB THR A 97 -6.719 -6.883 2.131 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.354 -5.044 0.824 1.00 0.00 H new ATOM 0 HG21 THR A 97 -8.082 -5.071 3.100 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.963 -5.765 4.298 1.00 0.00 H new ATOM 0 HG23 THR A 97 -6.596 -4.196 3.542 1.00 0.00 H new ATOM 1418 N TYR A 98 -4.189 -8.338 2.040 1.00 0.00 N ATOM 1419 CA TYR A 98 -3.615 -9.390 1.210 1.00 0.00 C ATOM 1420 C TYR A 98 -4.601 -10.539 1.027 1.00 0.00 C ATOM 1421 O TYR A 98 -5.036 -11.160 1.996 1.00 0.00 O ATOM 1422 CB TYR A 98 -2.319 -9.910 1.834 1.00 0.00 C ATOM 1423 CG TYR A 98 -1.310 -10.396 0.817 1.00 0.00 C ATOM 1424 CD1 TYR A 98 -0.446 -9.508 0.188 1.00 0.00 C ATOM 1425 CD2 TYR A 98 -1.221 -11.742 0.487 1.00 0.00 C ATOM 1426 CE1 TYR A 98 0.477 -9.947 -0.742 1.00 0.00 C ATOM 1427 CE2 TYR A 98 -0.300 -12.191 -0.441 1.00 0.00 C ATOM 1428 CZ TYR A 98 0.546 -11.290 -1.052 1.00 0.00 C ATOM 1429 OH TYR A 98 1.464 -11.731 -1.977 1.00 0.00 O ATOM 0 H TYR A 98 -4.603 -8.668 2.912 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.395 -8.965 0.231 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -1.868 -9.116 2.430 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.556 -10.726 2.517 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.497 -8.457 0.430 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.883 -12.450 0.964 1.00 0.00 H new ATOM 0 HE1 TYR A 98 1.140 -9.243 -1.223 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.244 -13.241 -0.686 1.00 0.00 H new ATOM 0 HH TYR A 98 1.769 -12.630 -1.732 1.00 0.00 H new ATOM 1439 N GLY A 99 -4.950 -10.817 -0.226 1.00 0.00 N ATOM 1440 CA GLY A 99 -5.882 -11.891 -0.515 1.00 0.00 C ATOM 1441 C GLY A 99 -7.199 -11.729 0.218 1.00 0.00 C ATOM 1442 O GLY A 99 -7.712 -12.681 0.805 1.00 0.00 O ATOM 0 H GLY A 99 -4.604 -10.318 -1.045 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.069 -11.927 -1.588 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -5.431 -12.844 -0.238 1.00 0.00 H new ATOM 1446 N GLY A 100 -7.748 -10.519 0.186 1.00 0.00 N ATOM 1447 CA GLY A 100 -9.008 -10.257 0.857 1.00 0.00 C ATOM 1448 C GLY A 100 -8.915 -10.448 2.358 1.00 0.00 C ATOM 1449 O GLY A 100 -9.871 -10.892 2.994 1.00 0.00 O ATOM 0 H GLY A 100 -7.343 -9.715 -0.293 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.325 -9.236 0.642 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.775 -10.920 0.456 1.00 0.00 H new ATOM 1453 N ASP A 101 -7.761 -10.113 2.925 1.00 0.00 N ATOM 1454 CA ASP A 101 -7.547 -10.251 4.361 1.00 0.00 C ATOM 1455 C ASP A 101 -6.535 -9.224 4.860 1.00 0.00 C ATOM 1456 O ASP A 101 -5.380 -9.218 4.435 1.00 0.00 O ATOM 1457 CB ASP A 101 -7.064 -11.663 4.693 1.00 0.00 C ATOM 1458 CG ASP A 101 -8.206 -12.654 4.808 1.00 0.00 C ATOM 1459 OD1 ASP A 101 -8.784 -13.016 3.762 1.00 0.00 O ATOM 1460 OD2 ASP A 101 -8.522 -13.066 5.944 1.00 0.00 O ATOM 0 H ASP A 101 -6.960 -9.744 2.413 1.00 0.00 H new ATOM 0 HA ASP A 101 -8.498 -10.073 4.864 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -6.372 -11.998 3.920 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -6.509 -11.643 5.631 1.00 0.00 H new ATOM 1465 N ASP A 102 -6.978 -8.356 5.764 1.00 0.00 N ATOM 1466 CA ASP A 102 -6.111 -7.324 6.321 1.00 0.00 C ATOM 1467 C ASP A 102 -5.078 -7.932 7.264 1.00 0.00 C ATOM 1468 O ASP A 102 -5.366 -8.894 7.979 1.00 0.00 O ATOM 1469 CB ASP A 102 -6.943 -6.276 7.063 1.00 0.00 C ATOM 1470 CG ASP A 102 -8.118 -6.886 7.800 1.00 0.00 C ATOM 1471 OD1 ASP A 102 -7.884 -7.672 8.742 1.00 0.00 O ATOM 1472 OD2 ASP A 102 -9.273 -6.577 7.436 1.00 0.00 O ATOM 0 H ASP A 102 -7.932 -8.347 6.126 1.00 0.00 H new ATOM 0 HA ASP A 102 -5.584 -6.843 5.497 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -6.307 -5.748 7.773 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -7.309 -5.536 6.351 1.00 0.00 H new ATOM 1477 N ILE A 103 -3.876 -7.368 7.261 1.00 0.00 N ATOM 1478 CA ILE A 103 -2.801 -7.855 8.116 1.00 0.00 C ATOM 1479 C ILE A 103 -2.937 -7.310 9.534 1.00 0.00 C ATOM 1480 O ILE A 103 -3.503 -6.241 9.764 1.00 0.00 O ATOM 1481 CB ILE A 103 -1.418 -7.466 7.559 1.00 0.00 C ATOM 1482 CG1 ILE A 103 -1.384 -5.976 7.214 1.00 0.00 C ATOM 1483 CG2 ILE A 103 -1.084 -8.307 6.336 1.00 0.00 C ATOM 1484 CD1 ILE A 103 0.000 -5.464 6.880 1.00 0.00 C ATOM 0 H ILE A 103 -3.621 -6.573 6.675 1.00 0.00 H new ATOM 0 HA ILE A 103 -2.882 -8.942 8.137 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.666 -7.659 8.324 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -2.045 -5.792 6.367 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -1.780 -5.407 8.056 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -0.104 -8.021 5.954 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -1.072 -9.361 6.612 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -1.836 -8.142 5.565 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -0.052 -4.401 6.646 1.00 0.00 H new ATOM 0 HD12 ILE A 103 0.660 -5.615 7.734 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.391 -6.006 6.019 1.00 0.00 H new ATOM 1496 N PRO A 104 -2.405 -8.061 10.510 1.00 0.00 N ATOM 1497 CA PRO A 104 -2.452 -7.673 11.922 1.00 0.00 C ATOM 1498 C PRO A 104 -1.559 -6.474 12.224 1.00 0.00 C ATOM 1499 O PRO A 104 -1.402 -6.079 13.380 1.00 0.00 O ATOM 1500 CB PRO A 104 -1.938 -8.918 12.650 1.00 0.00 C ATOM 1501 CG PRO A 104 -1.087 -9.618 11.648 1.00 0.00 C ATOM 1502 CD PRO A 104 -1.715 -9.347 10.309 1.00 0.00 C ATOM 0 HA PRO A 104 -3.453 -7.367 12.227 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -1.365 -8.649 13.537 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -2.761 -9.551 12.982 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -0.062 -9.248 11.680 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -1.046 -10.688 11.850 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -0.966 -9.282 9.520 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -2.411 -10.136 10.024 1.00 0.00 H new ATOM 1510 N LEU A 105 -0.977 -5.898 11.178 1.00 0.00 N ATOM 1511 CA LEU A 105 -0.099 -4.743 11.331 1.00 0.00 C ATOM 1512 C LEU A 105 -0.840 -3.450 11.006 1.00 0.00 C ATOM 1513 O LEU A 105 -0.560 -2.399 11.584 1.00 0.00 O ATOM 1514 CB LEU A 105 1.125 -4.884 10.426 1.00 0.00 C ATOM 1515 CG LEU A 105 2.040 -6.075 10.715 1.00 0.00 C ATOM 1516 CD1 LEU A 105 3.115 -6.194 9.646 1.00 0.00 C ATOM 1517 CD2 LEU A 105 2.670 -5.941 12.094 1.00 0.00 C ATOM 0 H LEU A 105 -1.097 -6.212 10.215 1.00 0.00 H new ATOM 0 HA LEU A 105 0.229 -4.702 12.370 1.00 0.00 H new ATOM 0 HB2 LEU A 105 0.782 -4.957 9.394 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.715 -3.971 10.502 1.00 0.00 H new ATOM 0 HG LEU A 105 1.438 -6.983 10.699 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.756 -7.047 9.868 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.646 -6.337 8.673 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.714 -5.284 9.630 1.00 0.00 H new ATOM 0 HD21 LEU A 105 3.318 -6.797 12.283 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.258 -5.024 12.138 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.886 -5.906 12.850 1.00 0.00 H new ATOM 1529 N SER A 106 -1.789 -3.534 10.079 1.00 0.00 N ATOM 1530 CA SER A 106 -2.569 -2.371 9.675 1.00 0.00 C ATOM 1531 C SER A 106 -3.730 -2.135 10.637 1.00 0.00 C ATOM 1532 O SER A 106 -4.144 -3.024 11.381 1.00 0.00 O ATOM 1533 CB SER A 106 -3.101 -2.555 8.253 1.00 0.00 C ATOM 1534 OG SER A 106 -2.195 -2.031 7.297 1.00 0.00 O ATOM 0 H SER A 106 -2.036 -4.396 9.594 1.00 0.00 H new ATOM 0 HA SER A 106 -1.915 -1.500 9.700 1.00 0.00 H new ATOM 0 HB2 SER A 106 -3.268 -3.614 8.058 1.00 0.00 H new ATOM 0 HB3 SER A 106 -4.066 -2.057 8.155 1.00 0.00 H new ATOM 0 HG SER A 106 -1.306 -1.945 7.701 1.00 0.00 H new ATOM 1540 N PRO A 107 -4.268 -0.906 10.624 1.00 0.00 N ATOM 1541 CA PRO A 107 -3.783 0.161 9.743 1.00 0.00 C ATOM 1542 C PRO A 107 -2.402 0.664 10.148 1.00 0.00 C ATOM 1543 O PRO A 107 -1.808 0.171 11.107 1.00 0.00 O ATOM 1544 CB PRO A 107 -4.827 1.266 9.917 1.00 0.00 C ATOM 1545 CG PRO A 107 -5.412 1.026 11.266 1.00 0.00 C ATOM 1546 CD PRO A 107 -5.391 -0.464 11.467 1.00 0.00 C ATOM 0 HA PRO A 107 -3.670 -0.180 8.714 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -4.372 2.254 9.853 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -5.590 1.216 9.140 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -4.833 1.532 12.038 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -6.429 1.413 11.325 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -5.235 -0.726 12.513 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -6.330 -0.924 11.159 1.00 0.00 H new ATOM 1554 N TYR A 108 -1.896 1.647 9.412 1.00 0.00 N ATOM 1555 CA TYR A 108 -0.584 2.216 9.694 1.00 0.00 C ATOM 1556 C TYR A 108 -0.687 3.711 9.979 1.00 0.00 C ATOM 1557 O TYR A 108 -1.300 4.459 9.216 1.00 0.00 O ATOM 1558 CB TYR A 108 0.364 1.974 8.518 1.00 0.00 C ATOM 1559 CG TYR A 108 1.020 0.612 8.539 1.00 0.00 C ATOM 1560 CD1 TYR A 108 0.281 -0.541 8.304 1.00 0.00 C ATOM 1561 CD2 TYR A 108 2.379 0.478 8.793 1.00 0.00 C ATOM 1562 CE1 TYR A 108 0.876 -1.787 8.324 1.00 0.00 C ATOM 1563 CE2 TYR A 108 2.984 -0.764 8.813 1.00 0.00 C ATOM 1564 CZ TYR A 108 2.228 -1.894 8.578 1.00 0.00 C ATOM 1565 OH TYR A 108 2.825 -3.133 8.597 1.00 0.00 O ATOM 0 H TYR A 108 -2.375 2.067 8.615 1.00 0.00 H new ATOM 0 HA TYR A 108 -0.186 1.723 10.581 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -0.190 2.087 7.586 1.00 0.00 H new ATOM 0 HB3 TYR A 108 1.138 2.741 8.523 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -0.777 -0.461 8.102 1.00 0.00 H new ATOM 0 HD2 TYR A 108 2.973 1.360 8.978 1.00 0.00 H new ATOM 0 HE1 TYR A 108 0.286 -2.673 8.142 1.00 0.00 H new ATOM 0 HE2 TYR A 108 4.042 -0.850 9.011 1.00 0.00 H new ATOM 0 HH TYR A 108 3.781 -3.033 8.789 1.00 0.00 H new ATOM 1575 N ARG A 109 -0.082 4.140 11.081 1.00 0.00 N ATOM 1576 CA ARG A 109 -0.106 5.546 11.468 1.00 0.00 C ATOM 1577 C ARG A 109 1.164 6.257 11.011 1.00 0.00 C ATOM 1578 O ARG A 109 2.273 5.766 11.225 1.00 0.00 O ATOM 1579 CB ARG A 109 -0.259 5.676 12.985 1.00 0.00 C ATOM 1580 CG ARG A 109 0.831 4.965 13.771 1.00 0.00 C ATOM 1581 CD ARG A 109 0.945 5.512 15.185 1.00 0.00 C ATOM 1582 NE ARG A 109 0.013 4.861 16.101 1.00 0.00 N ATOM 1583 CZ ARG A 109 -1.250 5.243 16.259 1.00 0.00 C ATOM 1584 NH1 ARG A 109 -1.728 6.267 15.565 1.00 0.00 N ATOM 1585 NH2 ARG A 109 -2.037 4.600 17.112 1.00 0.00 N ATOM 0 H ARG A 109 0.431 3.535 11.722 1.00 0.00 H new ATOM 0 HA ARG A 109 -0.960 6.017 10.982 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -0.257 6.733 13.252 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -1.228 5.274 13.280 1.00 0.00 H new ATOM 0 HG2 ARG A 109 0.616 3.897 13.809 1.00 0.00 H new ATOM 0 HG3 ARG A 109 1.785 5.080 13.257 1.00 0.00 H new ATOM 0 HD2 ARG A 109 1.964 5.374 15.546 1.00 0.00 H new ATOM 0 HD3 ARG A 109 0.753 6.585 15.175 1.00 0.00 H new ATOM 0 HE ARG A 109 0.350 4.070 16.650 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -1.126 6.763 14.908 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -2.698 6.558 15.688 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -1.673 3.812 17.647 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -3.006 4.894 17.233 1.00 0.00 H new ATOM 1599 N ILE A 110 0.993 7.414 10.381 1.00 0.00 N ATOM 1600 CA ILE A 110 2.126 8.193 9.895 1.00 0.00 C ATOM 1601 C ILE A 110 1.836 9.688 9.965 1.00 0.00 C ATOM 1602 O ILE A 110 0.689 10.115 9.835 1.00 0.00 O ATOM 1603 CB ILE A 110 2.484 7.819 8.444 1.00 0.00 C ATOM 1604 CG1 ILE A 110 2.455 6.300 8.264 1.00 0.00 C ATOM 1605 CG2 ILE A 110 3.852 8.375 8.076 1.00 0.00 C ATOM 1606 CD1 ILE A 110 2.808 5.851 6.863 1.00 0.00 C ATOM 0 H ILE A 110 0.082 7.833 10.195 1.00 0.00 H new ATOM 0 HA ILE A 110 2.971 7.959 10.542 1.00 0.00 H new ATOM 0 HB ILE A 110 1.743 8.259 7.777 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.151 5.845 8.969 1.00 0.00 H new ATOM 0 HG13 ILE A 110 1.461 5.931 8.515 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.091 8.103 7.048 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.841 9.461 8.170 1.00 0.00 H new ATOM 0 HG23 ILE A 110 4.605 7.960 8.746 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.767 4.763 6.808 1.00 0.00 H new ATOM 0 HD12 ILE A 110 2.097 6.277 6.155 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.814 6.189 6.615 1.00 0.00 H new ATOM 1618 N ARG A 111 2.884 10.479 10.171 1.00 0.00 N ATOM 1619 CA ARG A 111 2.742 11.928 10.259 1.00 0.00 C ATOM 1620 C ARG A 111 3.643 12.624 9.244 1.00 0.00 C ATOM 1621 O ARG A 111 4.851 12.392 9.209 1.00 0.00 O ATOM 1622 CB ARG A 111 3.078 12.410 11.671 1.00 0.00 C ATOM 1623 CG ARG A 111 2.199 11.797 12.749 1.00 0.00 C ATOM 1624 CD ARG A 111 2.451 12.439 14.105 1.00 0.00 C ATOM 1625 NE ARG A 111 3.708 11.991 14.698 1.00 0.00 N ATOM 1626 CZ ARG A 111 4.387 12.692 15.598 1.00 0.00 C ATOM 1627 NH1 ARG A 111 3.933 13.868 16.007 1.00 0.00 N ATOM 1628 NH2 ARG A 111 5.524 12.217 16.091 1.00 0.00 N ATOM 0 H ARG A 111 3.840 10.141 10.280 1.00 0.00 H new ATOM 0 HA ARG A 111 1.706 12.181 10.034 1.00 0.00 H new ATOM 0 HB2 ARG A 111 4.120 12.176 11.887 1.00 0.00 H new ATOM 0 HB3 ARG A 111 2.981 13.495 11.708 1.00 0.00 H new ATOM 0 HG2 ARG A 111 1.150 11.918 12.477 1.00 0.00 H new ATOM 0 HG3 ARG A 111 2.391 10.726 12.811 1.00 0.00 H new ATOM 0 HD2 ARG A 111 2.468 13.523 13.995 1.00 0.00 H new ATOM 0 HD3 ARG A 111 1.627 12.200 14.778 1.00 0.00 H new ATOM 0 HE ARG A 111 4.085 11.090 14.405 1.00 0.00 H new ATOM 0 HH11 ARG A 111 3.060 14.237 15.630 1.00 0.00 H new ATOM 0 HH12 ARG A 111 4.457 14.404 16.699 1.00 0.00 H new ATOM 0 HH21 ARG A 111 5.877 11.313 15.778 1.00 0.00 H new ATOM 0 HH22 ARG A 111 6.045 12.756 16.782 1.00 0.00 H new ATOM 1642 N ALA A 112 3.047 13.479 8.419 1.00 0.00 N ATOM 1643 CA ALA A 112 3.796 14.210 7.404 1.00 0.00 C ATOM 1644 C ALA A 112 4.334 15.524 7.960 1.00 0.00 C ATOM 1645 O ALA A 112 3.572 16.450 8.243 1.00 0.00 O ATOM 1646 CB ALA A 112 2.921 14.469 6.187 1.00 0.00 C ATOM 0 H ALA A 112 2.048 13.682 8.434 1.00 0.00 H new ATOM 0 HA ALA A 112 4.646 13.597 7.103 1.00 0.00 H new ATOM 0 HB1 ALA A 112 3.493 15.016 5.437 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.589 13.519 5.769 1.00 0.00 H new ATOM 0 HB3 ALA A 112 2.053 15.059 6.482 1.00 0.00 H new ATOM 1652 N THR A 113 5.652 15.601 8.115 1.00 0.00 N ATOM 1653 CA THR A 113 6.292 16.801 8.639 1.00 0.00 C ATOM 1654 C THR A 113 6.653 17.766 7.516 1.00 0.00 C ATOM 1655 O THR A 113 7.374 17.407 6.586 1.00 0.00 O ATOM 1656 CB THR A 113 7.565 16.457 9.435 1.00 0.00 C ATOM 1657 OG1 THR A 113 8.507 15.790 8.587 1.00 0.00 O ATOM 1658 CG2 THR A 113 7.235 15.574 10.628 1.00 0.00 C ATOM 0 H THR A 113 6.298 14.846 7.885 1.00 0.00 H new ATOM 0 HA THR A 113 5.573 17.277 9.306 1.00 0.00 H new ATOM 0 HB THR A 113 8.001 17.387 9.801 1.00 0.00 H new ATOM 0 HG1 THR A 113 8.415 16.123 7.670 1.00 0.00 H new ATOM 0 HG21 THR A 113 8.150 15.344 11.175 1.00 0.00 H new ATOM 0 HG22 THR A 113 6.540 16.096 11.286 1.00 0.00 H new ATOM 0 HG23 THR A 113 6.778 14.648 10.280 1.00 0.00 H new ATOM 1666 N GLN A 114 6.148 18.992 7.610 1.00 0.00 N ATOM 1667 CA GLN A 114 6.419 20.008 6.600 1.00 0.00 C ATOM 1668 C GLN A 114 7.063 21.240 7.227 1.00 0.00 C ATOM 1669 O GLN A 114 6.383 22.070 7.832 1.00 0.00 O ATOM 1670 CB GLN A 114 5.126 20.403 5.884 1.00 0.00 C ATOM 1671 CG GLN A 114 5.314 21.501 4.849 1.00 0.00 C ATOM 1672 CD GLN A 114 6.201 21.070 3.697 1.00 0.00 C ATOM 1673 OE1 GLN A 114 7.316 20.592 3.903 1.00 0.00 O ATOM 1674 NE2 GLN A 114 5.708 21.239 2.476 1.00 0.00 N ATOM 0 H GLN A 114 5.550 19.305 8.374 1.00 0.00 H new ATOM 0 HA GLN A 114 7.114 19.586 5.874 1.00 0.00 H new ATOM 0 HB2 GLN A 114 4.708 19.523 5.396 1.00 0.00 H new ATOM 0 HB3 GLN A 114 4.397 20.734 6.624 1.00 0.00 H new ATOM 0 HG2 GLN A 114 4.340 21.800 4.461 1.00 0.00 H new ATOM 0 HG3 GLN A 114 5.749 22.378 5.329 1.00 0.00 H new ATOM 0 HE21 GLN A 114 4.778 21.639 2.352 1.00 0.00 H new ATOM 0 HE22 GLN A 114 6.259 20.968 1.662 1.00 0.00 H new ATOM 1683 N THR A 115 8.379 21.353 7.080 1.00 0.00 N ATOM 1684 CA THR A 115 9.116 22.483 7.633 1.00 0.00 C ATOM 1685 C THR A 115 10.445 22.678 6.912 1.00 0.00 C ATOM 1686 O THR A 115 11.314 21.809 6.945 1.00 0.00 O ATOM 1687 CB THR A 115 9.384 22.296 9.138 1.00 0.00 C ATOM 1688 OG1 THR A 115 8.163 21.986 9.819 1.00 0.00 O ATOM 1689 CG2 THR A 115 10.002 23.550 9.738 1.00 0.00 C ATOM 0 H THR A 115 8.957 20.676 6.582 1.00 0.00 H new ATOM 0 HA THR A 115 8.495 23.367 7.489 1.00 0.00 H new ATOM 0 HB THR A 115 10.086 21.471 9.259 1.00 0.00 H new ATOM 0 HG1 THR A 115 7.402 22.277 9.275 1.00 0.00 H new ATOM 0 HG21 THR A 115 10.182 23.394 10.802 1.00 0.00 H new ATOM 0 HG22 THR A 115 10.946 23.765 9.238 1.00 0.00 H new ATOM 0 HG23 THR A 115 9.321 24.391 9.605 1.00 0.00 H new ATOM 1697 N GLY A 116 10.596 23.828 6.261 1.00 0.00 N ATOM 1698 CA GLY A 116 11.823 24.117 5.541 1.00 0.00 C ATOM 1699 C GLY A 116 12.039 25.603 5.337 1.00 0.00 C ATOM 1700 O GLY A 116 11.123 26.321 4.936 1.00 0.00 O ATOM 0 H GLY A 116 9.891 24.564 6.219 1.00 0.00 H new ATOM 0 HA2 GLY A 116 12.669 23.702 6.089 1.00 0.00 H new ATOM 0 HA3 GLY A 116 11.797 23.620 4.571 1.00 0.00 H new ATOM 1704 N ASP A 117 13.252 26.067 5.615 1.00 0.00 N ATOM 1705 CA ASP A 117 13.586 27.478 5.460 1.00 0.00 C ATOM 1706 C ASP A 117 13.357 27.936 4.023 1.00 0.00 C ATOM 1707 O ASP A 117 13.409 27.135 3.090 1.00 0.00 O ATOM 1708 CB ASP A 117 15.040 27.727 5.863 1.00 0.00 C ATOM 1709 CG ASP A 117 15.428 29.189 5.757 1.00 0.00 C ATOM 1710 OD1 ASP A 117 15.023 29.975 6.638 1.00 0.00 O ATOM 1711 OD2 ASP A 117 16.135 29.547 4.791 1.00 0.00 O ATOM 0 H ASP A 117 14.021 25.486 5.949 1.00 0.00 H new ATOM 0 HA ASP A 117 12.932 28.055 6.114 1.00 0.00 H new ATOM 0 HB2 ASP A 117 15.193 27.387 6.887 1.00 0.00 H new ATOM 0 HB3 ASP A 117 15.697 27.133 5.228 1.00 0.00 H new ATOM 1716 N ALA A 118 13.103 29.229 3.853 1.00 0.00 N ATOM 1717 CA ALA A 118 12.868 29.794 2.530 1.00 0.00 C ATOM 1718 C ALA A 118 13.713 31.043 2.308 1.00 0.00 C ATOM 1719 O ALA A 118 14.507 31.109 1.370 1.00 0.00 O ATOM 1720 CB ALA A 118 11.391 30.114 2.348 1.00 0.00 C ATOM 0 H ALA A 118 13.055 29.905 4.615 1.00 0.00 H new ATOM 0 HA ALA A 118 13.162 29.052 1.788 1.00 0.00 H new ATOM 0 HB1 ALA A 118 11.230 30.535 1.356 1.00 0.00 H new ATOM 0 HB2 ALA A 118 10.805 29.201 2.454 1.00 0.00 H new ATOM 0 HB3 ALA A 118 11.079 30.835 3.103 1.00 0.00 H new ATOM 1726 N SER A 119 13.536 32.034 3.176 1.00 0.00 N ATOM 1727 CA SER A 119 14.279 33.284 3.072 1.00 0.00 C ATOM 1728 C SER A 119 15.734 33.021 2.694 1.00 0.00 C ATOM 1729 O SER A 119 16.212 33.492 1.663 1.00 0.00 O ATOM 1730 CB SER A 119 14.215 34.052 4.394 1.00 0.00 C ATOM 1731 OG SER A 119 14.714 35.370 4.243 1.00 0.00 O ATOM 0 H SER A 119 12.884 31.995 3.959 1.00 0.00 H new ATOM 0 HA SER A 119 13.820 33.886 2.288 1.00 0.00 H new ATOM 0 HB2 SER A 119 13.185 34.088 4.748 1.00 0.00 H new ATOM 0 HB3 SER A 119 14.794 33.525 5.153 1.00 0.00 H new ATOM 0 HG SER A 119 14.661 35.840 5.101 1.00 0.00 H new TER 1737 SER A 119