USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 750 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 THR OG1 : rot 26:sc= 0.879 USER MOD Set 1.2: A 37 HIS : no HD1:sc= -8.58! C(o=-7.7!,f=-10!) USER MOD Single : A 1 GLY N :NH3+ -108:sc= 0.0998 (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 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -170:sc= -0.0366 USER MOD Single : A 26 HIS : no HE2:sc= -0.39 K(o=-0.39,f=-1.1) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot -176:sc= -1.38 USER MOD Single : A 43 SER OG : rot 90:sc= -0.636 USER MOD Single : A 46 SER OG : rot 149:sc= -0.482 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 TYR OH : rot 165:sc= 0 USER MOD Single : A 77 SER OG : rot -120:sc= -0.0568 USER MOD Single : A 79 GLN : amide:sc= -0.776 X(o=-0.78,f=-0.97) USER MOD Single : A 80 SER OG : rot 120:sc= -0.27 USER MOD Single : A 87 SER OG : rot 100:sc= -1.74! USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 39:sc= 0.689 USER MOD Single : A 99 SER OG : rot -42:sc= 0.941 USER MOD Single : A 102 SER OG : rot 180:sc=-0.000811 USER MOD Single : A 103 SER OG : rot 35:sc= 1.1 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.890 -24.146 -19.517 1.00 0.00 N ATOM 2 CA GLY A 1 -1.982 -24.709 -18.535 1.00 0.00 C ATOM 3 C GLY A 1 -2.370 -24.351 -17.114 1.00 0.00 C ATOM 4 O GLY A 1 -3.208 -23.476 -16.894 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.473 -24.904 -19.925 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.506 -23.444 -19.058 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.343 -23.685 -20.272 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.964 -25.794 -18.641 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.971 -24.353 -18.733 1.00 0.00 H new ATOM 8 N SER A 2 -1.760 -25.029 -16.147 1.00 0.00 N ATOM 9 CA SER A 2 -2.051 -24.781 -14.740 1.00 0.00 C ATOM 10 C SER A 2 -0.802 -24.308 -14.003 1.00 0.00 C ATOM 11 O SER A 2 0.297 -24.307 -14.557 1.00 0.00 O ATOM 12 CB SER A 2 -2.597 -26.048 -14.079 1.00 0.00 C ATOM 13 OG SER A 2 -3.657 -26.603 -14.839 1.00 0.00 O ATOM 0 H SER A 2 -1.062 -25.754 -16.312 1.00 0.00 H new ATOM 0 HA SER A 2 -2.805 -23.996 -14.683 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.797 -26.781 -13.975 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.949 -25.815 -13.074 1.00 0.00 H new ATOM 0 HG SER A 2 -3.988 -27.413 -14.397 1.00 0.00 H new ATOM 19 N SER A 3 -0.979 -23.905 -12.749 1.00 0.00 N ATOM 20 CA SER A 3 0.132 -23.425 -11.935 1.00 0.00 C ATOM 21 C SER A 3 0.118 -24.078 -10.557 1.00 0.00 C ATOM 22 O SER A 3 -0.899 -24.617 -10.123 1.00 0.00 O ATOM 23 CB SER A 3 0.066 -21.903 -11.792 1.00 0.00 C ATOM 24 OG SER A 3 -0.988 -21.517 -10.926 1.00 0.00 O ATOM 0 H SER A 3 -1.882 -23.901 -12.274 1.00 0.00 H new ATOM 0 HA SER A 3 1.061 -23.696 -12.436 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.014 -21.530 -11.405 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.079 -21.449 -12.772 1.00 0.00 H new ATOM 0 HG SER A 3 -1.008 -20.540 -10.850 1.00 0.00 H new ATOM 30 N GLY A 4 1.256 -24.025 -9.872 1.00 0.00 N ATOM 31 CA GLY A 4 1.355 -24.615 -8.550 1.00 0.00 C ATOM 32 C GLY A 4 2.049 -23.703 -7.558 1.00 0.00 C ATOM 33 O GLY A 4 2.047 -22.483 -7.720 1.00 0.00 O ATOM 0 H GLY A 4 2.112 -23.584 -10.209 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.355 -24.850 -8.185 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.900 -25.557 -8.616 1.00 0.00 H new ATOM 37 N SER A 5 2.644 -24.296 -6.528 1.00 0.00 N ATOM 38 CA SER A 5 3.341 -23.528 -5.502 1.00 0.00 C ATOM 39 C SER A 5 4.852 -23.597 -5.705 1.00 0.00 C ATOM 40 O SER A 5 5.515 -24.506 -5.206 1.00 0.00 O ATOM 41 CB SER A 5 2.978 -24.048 -4.110 1.00 0.00 C ATOM 42 OG SER A 5 1.648 -23.699 -3.767 1.00 0.00 O ATOM 0 H SER A 5 2.658 -25.305 -6.382 1.00 0.00 H new ATOM 0 HA SER A 5 3.027 -22.488 -5.586 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.092 -25.132 -4.082 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.667 -23.636 -3.373 1.00 0.00 H new ATOM 0 HG SER A 5 1.439 -24.044 -2.874 1.00 0.00 H new ATOM 48 N SER A 6 5.389 -22.629 -6.442 1.00 0.00 N ATOM 49 CA SER A 6 6.820 -22.581 -6.714 1.00 0.00 C ATOM 50 C SER A 6 7.549 -21.768 -5.649 1.00 0.00 C ATOM 51 O SER A 6 7.749 -20.564 -5.800 1.00 0.00 O ATOM 52 CB SER A 6 7.077 -21.979 -8.097 1.00 0.00 C ATOM 53 OG SER A 6 8.310 -22.431 -8.629 1.00 0.00 O ATOM 0 H SER A 6 4.854 -21.868 -6.861 1.00 0.00 H new ATOM 0 HA SER A 6 7.204 -23.601 -6.692 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.265 -22.250 -8.772 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.084 -20.891 -8.028 1.00 0.00 H new ATOM 0 HG SER A 6 8.450 -22.033 -9.514 1.00 0.00 H new ATOM 59 N GLY A 7 7.944 -22.437 -4.570 1.00 0.00 N ATOM 60 CA GLY A 7 8.646 -21.762 -3.494 1.00 0.00 C ATOM 61 C GLY A 7 7.719 -20.936 -2.625 1.00 0.00 C ATOM 62 O GLY A 7 6.685 -20.444 -3.076 1.00 0.00 O ATOM 0 H GLY A 7 7.790 -23.434 -4.422 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.155 -22.502 -2.876 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.416 -21.115 -3.916 1.00 0.00 H new ATOM 66 N PRO A 8 8.087 -20.777 -1.345 1.00 0.00 N ATOM 67 CA PRO A 8 7.293 -20.007 -0.383 1.00 0.00 C ATOM 68 C PRO A 8 7.317 -18.511 -0.678 1.00 0.00 C ATOM 69 O PRO A 8 8.365 -17.946 -0.994 1.00 0.00 O ATOM 70 CB PRO A 8 7.977 -20.299 0.955 1.00 0.00 C ATOM 71 CG PRO A 8 9.380 -20.647 0.596 1.00 0.00 C ATOM 72 CD PRO A 8 9.307 -21.336 -0.739 1.00 0.00 C ATOM 0 HA PRO A 8 6.239 -20.285 -0.409 1.00 0.00 H new ATOM 0 HB2 PRO A 8 7.941 -19.433 1.615 1.00 0.00 H new ATOM 0 HB3 PRO A 8 7.487 -21.120 1.479 1.00 0.00 H new ATOM 0 HG2 PRO A 8 10.002 -19.753 0.541 1.00 0.00 H new ATOM 0 HG3 PRO A 8 9.825 -21.299 1.348 1.00 0.00 H new ATOM 0 HD2 PRO A 8 10.188 -21.130 -1.346 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.242 -22.419 -0.630 1.00 0.00 H new ATOM 80 N LEU A 9 6.156 -17.874 -0.572 1.00 0.00 N ATOM 81 CA LEU A 9 6.043 -16.442 -0.827 1.00 0.00 C ATOM 82 C LEU A 9 5.403 -15.727 0.359 1.00 0.00 C ATOM 83 O LEU A 9 4.198 -15.479 0.389 1.00 0.00 O ATOM 84 CB LEU A 9 5.219 -16.193 -2.092 1.00 0.00 C ATOM 85 CG LEU A 9 5.502 -14.884 -2.830 1.00 0.00 C ATOM 86 CD1 LEU A 9 6.973 -14.789 -3.204 1.00 0.00 C ATOM 87 CD2 LEU A 9 4.626 -14.770 -4.069 1.00 0.00 C ATOM 0 H LEU A 9 5.280 -18.326 -0.311 1.00 0.00 H new ATOM 0 HA LEU A 9 7.047 -16.043 -0.970 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.390 -17.020 -2.781 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.163 -16.215 -1.824 1.00 0.00 H new ATOM 0 HG LEU A 9 5.264 -14.055 -2.164 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.155 -13.851 -3.728 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.581 -14.824 -2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.238 -15.624 -3.852 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.841 -13.832 -4.582 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.832 -15.605 -4.738 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.576 -14.791 -3.776 1.00 0.00 H new ATOM 99 N PRO A 10 6.229 -15.384 1.359 1.00 0.00 N ATOM 100 CA PRO A 10 5.767 -14.690 2.564 1.00 0.00 C ATOM 101 C PRO A 10 5.354 -13.249 2.281 1.00 0.00 C ATOM 102 O PRO A 10 6.140 -12.439 1.790 1.00 0.00 O ATOM 103 CB PRO A 10 6.990 -14.725 3.484 1.00 0.00 C ATOM 104 CG PRO A 10 8.155 -14.838 2.562 1.00 0.00 C ATOM 105 CD PRO A 10 7.677 -15.649 1.390 1.00 0.00 C ATOM 0 HA PRO A 10 4.881 -15.160 2.991 1.00 0.00 H new ATOM 0 HB2 PRO A 10 7.053 -13.823 4.093 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.945 -15.571 4.170 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.497 -13.854 2.242 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.997 -15.323 3.055 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.162 -15.341 0.464 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.889 -16.710 1.523 1.00 0.00 H new ATOM 113 N PRO A 11 4.093 -12.921 2.597 1.00 0.00 N ATOM 114 CA PRO A 11 3.548 -11.577 2.386 1.00 0.00 C ATOM 115 C PRO A 11 4.157 -10.549 3.334 1.00 0.00 C ATOM 116 O PRO A 11 4.870 -10.887 4.279 1.00 0.00 O ATOM 117 CB PRO A 11 2.055 -11.750 2.674 1.00 0.00 C ATOM 118 CG PRO A 11 1.979 -12.922 3.590 1.00 0.00 C ATOM 119 CD PRO A 11 3.102 -13.837 3.186 1.00 0.00 C ATOM 0 HA PRO A 11 3.763 -11.203 1.385 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.635 -10.857 3.138 1.00 0.00 H new ATOM 0 HB3 PRO A 11 1.493 -11.927 1.757 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.083 -12.612 4.630 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.016 -13.424 3.502 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.510 -14.374 4.042 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.771 -14.587 2.467 1.00 0.00 H new ATOM 127 N PRO A 12 3.871 -9.264 3.078 1.00 0.00 N ATOM 128 CA PRO A 12 4.380 -8.161 3.898 1.00 0.00 C ATOM 129 C PRO A 12 3.745 -8.128 5.284 1.00 0.00 C ATOM 130 O PRO A 12 2.547 -8.367 5.434 1.00 0.00 O ATOM 131 CB PRO A 12 3.988 -6.915 3.100 1.00 0.00 C ATOM 132 CG PRO A 12 2.808 -7.337 2.294 1.00 0.00 C ATOM 133 CD PRO A 12 3.028 -8.789 1.968 1.00 0.00 C ATOM 0 HA PRO A 12 5.451 -8.248 4.079 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.740 -6.084 3.760 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.805 -6.581 2.461 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.883 -7.198 2.854 1.00 0.00 H new ATOM 0 HG3 PRO A 12 2.723 -6.741 1.385 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.087 -9.336 1.916 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.523 -8.914 1.005 1.00 0.00 H new ATOM 141 N ARG A 13 4.556 -7.829 6.294 1.00 0.00 N ATOM 142 CA ARG A 13 4.072 -7.766 7.668 1.00 0.00 C ATOM 143 C ARG A 13 4.380 -6.407 8.290 1.00 0.00 C ATOM 144 O ARG A 13 3.563 -5.849 9.022 1.00 0.00 O ATOM 145 CB ARG A 13 4.706 -8.877 8.506 1.00 0.00 C ATOM 146 CG ARG A 13 6.091 -9.285 8.030 1.00 0.00 C ATOM 147 CD ARG A 13 6.017 -10.354 6.952 1.00 0.00 C ATOM 148 NE ARG A 13 6.015 -11.701 7.516 1.00 0.00 N ATOM 149 CZ ARG A 13 7.047 -12.227 8.166 1.00 0.00 C ATOM 150 NH1 ARG A 13 8.158 -11.523 8.334 1.00 0.00 N ATOM 151 NH2 ARG A 13 6.969 -13.460 8.651 1.00 0.00 N ATOM 0 H ARG A 13 5.550 -7.627 6.187 1.00 0.00 H new ATOM 0 HA ARG A 13 2.991 -7.904 7.653 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.770 -8.547 9.543 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.054 -9.750 8.489 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.616 -8.412 7.642 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.672 -9.657 8.874 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.115 -10.208 6.358 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.865 -10.246 6.275 1.00 0.00 H new ATOM 0 HE ARG A 13 5.175 -12.269 7.405 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.222 -10.575 7.964 1.00 0.00 H new ATOM 0 HH12 ARG A 13 8.949 -11.930 8.834 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.116 -14.005 8.525 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.762 -13.863 9.150 1.00 0.00 H new ATOM 165 N ALA A 14 5.564 -5.880 7.994 1.00 0.00 N ATOM 166 CA ALA A 14 5.979 -4.587 8.523 1.00 0.00 C ATOM 167 C ALA A 14 5.275 -3.446 7.797 1.00 0.00 C ATOM 168 O ALA A 14 5.912 -2.484 7.366 1.00 0.00 O ATOM 169 CB ALA A 14 7.488 -4.432 8.415 1.00 0.00 C ATOM 0 H ALA A 14 6.253 -6.329 7.390 1.00 0.00 H new ATOM 0 HA ALA A 14 5.695 -4.544 9.575 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.784 -3.462 8.814 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.977 -5.223 8.985 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.787 -4.501 7.369 1.00 0.00 H new ATOM 175 N LEU A 15 3.958 -3.558 7.664 1.00 0.00 N ATOM 176 CA LEU A 15 3.167 -2.535 6.988 1.00 0.00 C ATOM 177 C LEU A 15 2.850 -1.380 7.932 1.00 0.00 C ATOM 178 O LEU A 15 1.894 -1.440 8.706 1.00 0.00 O ATOM 179 CB LEU A 15 1.869 -3.139 6.449 1.00 0.00 C ATOM 180 CG LEU A 15 2.004 -4.024 5.209 1.00 0.00 C ATOM 181 CD1 LEU A 15 0.901 -5.070 5.177 1.00 0.00 C ATOM 182 CD2 LEU A 15 1.977 -3.177 3.945 1.00 0.00 C ATOM 0 H LEU A 15 3.415 -4.347 8.015 1.00 0.00 H new ATOM 0 HA LEU A 15 3.754 -2.149 6.155 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.409 -3.728 7.243 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.182 -2.325 6.217 1.00 0.00 H new ATOM 0 HG LEU A 15 2.963 -4.540 5.256 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.013 -5.690 4.288 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.967 -5.696 6.067 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.070 -4.575 5.153 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.074 -3.823 3.072 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.034 -2.634 3.891 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.804 -2.467 3.965 1.00 0.00 H new ATOM 194 N THR A 16 3.658 -0.327 7.863 1.00 0.00 N ATOM 195 CA THR A 16 3.464 0.843 8.710 1.00 0.00 C ATOM 196 C THR A 16 3.475 2.126 7.887 1.00 0.00 C ATOM 197 O THR A 16 4.219 2.245 6.913 1.00 0.00 O ATOM 198 CB THR A 16 4.551 0.935 9.798 1.00 0.00 C ATOM 199 OG1 THR A 16 4.592 -0.280 10.553 1.00 0.00 O ATOM 200 CG2 THR A 16 4.285 2.109 10.729 1.00 0.00 C ATOM 0 H THR A 16 4.454 -0.261 7.228 1.00 0.00 H new ATOM 0 HA THR A 16 2.491 0.730 9.187 1.00 0.00 H new ATOM 0 HB THR A 16 5.513 1.090 9.309 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.287 -0.214 11.241 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.065 2.155 11.489 1.00 0.00 H new ATOM 0 HG22 THR A 16 4.283 3.036 10.155 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.316 1.979 11.211 1.00 0.00 H new ATOM 208 N LEU A 17 2.645 3.085 8.284 1.00 0.00 N ATOM 209 CA LEU A 17 2.560 4.361 7.583 1.00 0.00 C ATOM 210 C LEU A 17 3.864 5.142 7.712 1.00 0.00 C ATOM 211 O LEU A 17 4.144 5.734 8.753 1.00 0.00 O ATOM 212 CB LEU A 17 1.399 5.191 8.133 1.00 0.00 C ATOM 213 CG LEU A 17 0.796 6.220 7.176 1.00 0.00 C ATOM 214 CD1 LEU A 17 1.890 6.907 6.373 1.00 0.00 C ATOM 215 CD2 LEU A 17 -0.213 5.559 6.249 1.00 0.00 C ATOM 0 H LEU A 17 2.022 3.003 9.087 1.00 0.00 H new ATOM 0 HA LEU A 17 2.384 4.156 6.527 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.608 4.510 8.447 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.743 5.713 9.026 1.00 0.00 H new ATOM 0 HG LEU A 17 0.277 6.976 7.765 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.442 7.636 5.697 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.575 7.415 7.052 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.437 6.164 5.794 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.632 6.306 5.575 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.282 4.782 5.667 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.013 5.114 6.840 1.00 0.00 H new ATOM 227 N ALA A 18 4.657 5.139 6.645 1.00 0.00 N ATOM 228 CA ALA A 18 5.929 5.851 6.638 1.00 0.00 C ATOM 229 C ALA A 18 5.725 7.344 6.865 1.00 0.00 C ATOM 230 O ALA A 18 6.383 7.949 7.711 1.00 0.00 O ATOM 231 CB ALA A 18 6.661 5.610 5.325 1.00 0.00 C ATOM 0 H ALA A 18 4.441 4.652 5.775 1.00 0.00 H new ATOM 0 HA ALA A 18 6.537 5.466 7.457 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.609 6.147 5.333 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.850 4.543 5.204 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.049 5.967 4.496 1.00 0.00 H new ATOM 237 N ALA A 19 4.808 7.934 6.105 1.00 0.00 N ATOM 238 CA ALA A 19 4.516 9.357 6.225 1.00 0.00 C ATOM 239 C ALA A 19 3.074 9.657 5.830 1.00 0.00 C ATOM 240 O ALA A 19 2.642 9.333 4.723 1.00 0.00 O ATOM 241 CB ALA A 19 5.479 10.167 5.370 1.00 0.00 C ATOM 0 H ALA A 19 4.254 7.448 5.399 1.00 0.00 H new ATOM 0 HA ALA A 19 4.646 9.643 7.269 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.249 11.228 5.469 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.501 9.984 5.701 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.377 9.870 4.326 1.00 0.00 H new ATOM 247 N VAL A 20 2.332 10.276 6.743 1.00 0.00 N ATOM 248 CA VAL A 20 0.938 10.620 6.489 1.00 0.00 C ATOM 249 C VAL A 20 0.808 12.051 5.982 1.00 0.00 C ATOM 250 O VAL A 20 0.993 13.008 6.735 1.00 0.00 O ATOM 251 CB VAL A 20 0.080 10.457 7.758 1.00 0.00 C ATOM 252 CG1 VAL A 20 0.631 11.312 8.889 1.00 0.00 C ATOM 253 CG2 VAL A 20 -1.371 10.810 7.469 1.00 0.00 C ATOM 0 H VAL A 20 2.673 10.549 7.665 1.00 0.00 H new ATOM 0 HA VAL A 20 0.577 9.933 5.724 1.00 0.00 H new ATOM 0 HB VAL A 20 0.120 9.414 8.071 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.012 11.184 9.777 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.653 11.006 9.112 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.623 12.360 8.590 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.963 10.689 8.377 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.433 11.844 7.130 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.758 10.150 6.693 1.00 0.00 H new ATOM 263 N THR A 21 0.489 12.192 4.699 1.00 0.00 N ATOM 264 CA THR A 21 0.334 13.507 4.090 1.00 0.00 C ATOM 265 C THR A 21 -1.050 13.668 3.472 1.00 0.00 C ATOM 266 O THR A 21 -1.574 12.765 2.820 1.00 0.00 O ATOM 267 CB THR A 21 1.400 13.752 3.005 1.00 0.00 C ATOM 268 OG1 THR A 21 2.598 13.035 3.324 1.00 0.00 O ATOM 269 CG2 THR A 21 1.710 15.236 2.876 1.00 0.00 C ATOM 0 H THR A 21 0.333 11.411 4.062 1.00 0.00 H new ATOM 0 HA THR A 21 0.460 14.241 4.886 1.00 0.00 H new ATOM 0 HB THR A 21 1.006 13.395 2.053 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.270 13.195 2.629 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.465 15.384 2.104 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.802 15.775 2.604 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.085 15.613 3.827 1.00 0.00 H new ATOM 277 N PRO A 22 -1.658 14.846 3.679 1.00 0.00 N ATOM 278 CA PRO A 22 -2.990 15.153 3.149 1.00 0.00 C ATOM 279 C PRO A 22 -2.988 15.310 1.632 1.00 0.00 C ATOM 280 O PRO A 22 -4.035 15.518 1.019 1.00 0.00 O ATOM 281 CB PRO A 22 -3.342 16.481 3.823 1.00 0.00 C ATOM 282 CG PRO A 22 -2.027 17.105 4.141 1.00 0.00 C ATOM 283 CD PRO A 22 -1.092 15.968 4.446 1.00 0.00 C ATOM 0 HA PRO A 22 -3.703 14.354 3.351 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.932 17.116 3.162 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -3.933 16.323 4.725 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -1.662 17.696 3.301 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -2.111 17.780 4.993 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.072 16.193 4.136 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.060 15.749 5.513 1.00 0.00 H new ATOM 291 N ARG A 23 -1.806 15.208 1.033 1.00 0.00 N ATOM 292 CA ARG A 23 -1.669 15.339 -0.413 1.00 0.00 C ATOM 293 C ARG A 23 -1.235 14.017 -1.040 1.00 0.00 C ATOM 294 O ARG A 23 -1.639 13.684 -2.154 1.00 0.00 O ATOM 295 CB ARG A 23 -0.656 16.434 -0.753 1.00 0.00 C ATOM 296 CG ARG A 23 -0.680 17.608 0.213 1.00 0.00 C ATOM 297 CD ARG A 23 -1.806 18.576 -0.115 1.00 0.00 C ATOM 298 NE ARG A 23 -1.693 19.108 -1.471 1.00 0.00 N ATOM 299 CZ ARG A 23 -2.634 19.843 -2.053 1.00 0.00 C ATOM 300 NH1 ARG A 23 -3.753 20.130 -1.401 1.00 0.00 N ATOM 301 NH2 ARG A 23 -2.458 20.291 -3.289 1.00 0.00 N ATOM 0 H ARG A 23 -0.930 15.035 1.526 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.641 15.613 -0.822 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.345 16.002 -0.761 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.853 16.800 -1.761 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.800 17.240 1.232 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.275 18.132 0.174 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.764 18.069 -0.003 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.796 19.399 0.599 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.845 18.904 -2.000 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.892 19.786 -0.451 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.474 20.695 -1.850 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.599 20.071 -3.794 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.181 20.855 -3.735 1.00 0.00 H new ATOM 315 N THR A 24 -0.409 13.268 -0.316 1.00 0.00 N ATOM 316 CA THR A 24 0.081 11.984 -0.801 1.00 0.00 C ATOM 317 C THR A 24 0.180 10.969 0.332 1.00 0.00 C ATOM 318 O THR A 24 0.251 11.338 1.504 1.00 0.00 O ATOM 319 CB THR A 24 1.461 12.126 -1.470 1.00 0.00 C ATOM 320 OG1 THR A 24 2.474 12.294 -0.473 1.00 0.00 O ATOM 321 CG2 THR A 24 1.480 13.310 -2.425 1.00 0.00 C ATOM 0 H THR A 24 -0.065 13.529 0.608 1.00 0.00 H new ATOM 0 HA THR A 24 -0.638 11.630 -1.540 1.00 0.00 H new ATOM 0 HB THR A 24 1.660 11.218 -2.039 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.319 12.540 -0.904 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.465 13.390 -2.885 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.728 13.164 -3.200 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.261 14.225 -1.875 1.00 0.00 H new ATOM 329 N VAL A 25 0.184 9.689 -0.025 1.00 0.00 N ATOM 330 CA VAL A 25 0.277 8.620 0.963 1.00 0.00 C ATOM 331 C VAL A 25 1.510 7.756 0.724 1.00 0.00 C ATOM 332 O VAL A 25 1.711 7.230 -0.371 1.00 0.00 O ATOM 333 CB VAL A 25 -0.976 7.724 0.939 1.00 0.00 C ATOM 334 CG1 VAL A 25 -0.694 6.395 1.623 1.00 0.00 C ATOM 335 CG2 VAL A 25 -2.150 8.433 1.598 1.00 0.00 C ATOM 0 H VAL A 25 0.124 9.367 -0.991 1.00 0.00 H new ATOM 0 HA VAL A 25 0.355 9.098 1.940 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.239 7.523 -0.100 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.590 5.775 1.597 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.117 5.883 1.104 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.406 6.573 2.659 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.027 7.786 1.572 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.900 8.665 2.633 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.365 9.357 1.061 1.00 0.00 H new ATOM 345 N HIS A 26 2.335 7.614 1.757 1.00 0.00 N ATOM 346 CA HIS A 26 3.550 6.812 1.660 1.00 0.00 C ATOM 347 C HIS A 26 3.472 5.595 2.576 1.00 0.00 C ATOM 348 O HIS A 26 3.178 5.718 3.766 1.00 0.00 O ATOM 349 CB HIS A 26 4.773 7.657 2.018 1.00 0.00 C ATOM 350 CG HIS A 26 6.075 6.949 1.799 1.00 0.00 C ATOM 351 ND1 HIS A 26 7.274 7.406 2.302 1.00 0.00 N ATOM 352 CD2 HIS A 26 6.360 5.809 1.127 1.00 0.00 C ATOM 353 CE1 HIS A 26 8.242 6.579 1.948 1.00 0.00 C ATOM 354 NE2 HIS A 26 7.713 5.601 1.234 1.00 0.00 N ATOM 0 H HIS A 26 2.185 8.043 2.670 1.00 0.00 H new ATOM 0 HA HIS A 26 3.646 6.465 0.631 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.761 8.570 1.423 1.00 0.00 H new ATOM 0 HB3 HIS A 26 4.703 7.957 3.063 1.00 0.00 H new ATOM 0 HD1 HIS A 26 7.395 8.251 2.860 1.00 0.00 H new ATOM 0 HD2 HIS A 26 5.655 5.180 0.604 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.287 6.684 2.199 1.00 0.00 H new ATOM 363 N LEU A 27 3.736 4.420 2.015 1.00 0.00 N ATOM 364 CA LEU A 27 3.695 3.179 2.781 1.00 0.00 C ATOM 365 C LEU A 27 4.983 2.383 2.596 1.00 0.00 C ATOM 366 O LEU A 27 5.563 2.361 1.510 1.00 0.00 O ATOM 367 CB LEU A 27 2.493 2.334 2.355 1.00 0.00 C ATOM 368 CG LEU A 27 1.887 1.438 3.436 1.00 0.00 C ATOM 369 CD1 LEU A 27 2.776 0.230 3.689 1.00 0.00 C ATOM 370 CD2 LEU A 27 1.673 2.223 4.721 1.00 0.00 C ATOM 0 H LEU A 27 3.981 4.301 1.032 1.00 0.00 H new ATOM 0 HA LEU A 27 3.596 3.434 3.836 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.715 3.003 1.988 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.794 1.706 1.517 1.00 0.00 H new ATOM 0 HG LEU A 27 0.918 1.083 3.085 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.328 -0.396 4.461 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.878 -0.346 2.769 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.760 0.565 4.018 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.241 1.569 5.479 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.629 2.608 5.076 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.995 3.055 4.530 1.00 0.00 H new ATOM 382 N THR A 28 5.424 1.726 3.664 1.00 0.00 N ATOM 383 CA THR A 28 6.642 0.927 3.621 1.00 0.00 C ATOM 384 C THR A 28 6.435 -0.428 4.287 1.00 0.00 C ATOM 385 O THR A 28 5.811 -0.522 5.344 1.00 0.00 O ATOM 386 CB THR A 28 7.814 1.651 4.310 1.00 0.00 C ATOM 387 OG1 THR A 28 7.450 2.010 5.647 1.00 0.00 O ATOM 388 CG2 THR A 28 8.211 2.898 3.535 1.00 0.00 C ATOM 0 H THR A 28 4.955 1.732 4.570 1.00 0.00 H new ATOM 0 HA THR A 28 6.885 0.778 2.569 1.00 0.00 H new ATOM 0 HB THR A 28 8.666 0.972 4.336 1.00 0.00 H new ATOM 0 HG1 THR A 28 8.201 2.468 6.079 1.00 0.00 H new ATOM 0 HG21 THR A 28 9.040 3.392 4.041 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.516 2.618 2.527 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.361 3.579 3.481 1.00 0.00 H new ATOM 396 N TRP A 29 6.962 -1.476 3.662 1.00 0.00 N ATOM 397 CA TRP A 29 6.834 -2.827 4.196 1.00 0.00 C ATOM 398 C TRP A 29 8.113 -3.626 3.967 1.00 0.00 C ATOM 399 O TRP A 29 9.084 -3.112 3.412 1.00 0.00 O ATOM 400 CB TRP A 29 5.648 -3.543 3.549 1.00 0.00 C ATOM 401 CG TRP A 29 5.739 -3.613 2.055 1.00 0.00 C ATOM 402 CD1 TRP A 29 6.529 -4.449 1.320 1.00 0.00 C ATOM 403 CD2 TRP A 29 5.014 -2.813 1.114 1.00 0.00 C ATOM 404 NE1 TRP A 29 6.340 -4.218 -0.021 1.00 0.00 N ATOM 405 CE2 TRP A 29 5.415 -3.219 -0.174 1.00 0.00 C ATOM 406 CE3 TRP A 29 4.065 -1.795 1.234 1.00 0.00 C ATOM 407 CZ2 TRP A 29 4.899 -2.641 -1.331 1.00 0.00 C ATOM 408 CZ3 TRP A 29 3.554 -1.222 0.085 1.00 0.00 C ATOM 409 CH2 TRP A 29 3.971 -1.646 -1.184 1.00 0.00 C ATOM 0 H TRP A 29 7.481 -1.416 2.786 1.00 0.00 H new ATOM 0 HA TRP A 29 6.662 -2.752 5.270 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.581 -4.555 3.949 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.728 -3.029 3.826 1.00 0.00 H new ATOM 0 HD1 TRP A 29 7.204 -5.184 1.732 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.812 -4.710 -0.780 1.00 0.00 H new ATOM 0 HE3 TRP A 29 3.737 -1.462 2.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.220 -2.966 -2.310 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 2.820 -0.434 0.166 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.552 -1.179 -2.063 1.00 0.00 H new ATOM 420 N GLN A 30 8.105 -4.884 4.396 1.00 0.00 N ATOM 421 CA GLN A 30 9.265 -5.752 4.237 1.00 0.00 C ATOM 422 C GLN A 30 9.198 -6.514 2.917 1.00 0.00 C ATOM 423 O GLN A 30 8.145 -7.003 2.507 1.00 0.00 O ATOM 424 CB GLN A 30 9.355 -6.737 5.404 1.00 0.00 C ATOM 425 CG GLN A 30 9.803 -6.096 6.707 1.00 0.00 C ATOM 426 CD GLN A 30 11.307 -5.920 6.784 1.00 0.00 C ATOM 427 OE1 GLN A 30 11.836 -4.853 6.469 1.00 0.00 O ATOM 428 NE2 GLN A 30 12.006 -6.968 7.205 1.00 0.00 N ATOM 0 H GLN A 30 7.308 -5.324 4.856 1.00 0.00 H new ATOM 0 HA GLN A 30 10.157 -5.126 4.229 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.380 -7.201 5.553 1.00 0.00 H new ATOM 0 HB3 GLN A 30 10.051 -7.534 5.143 1.00 0.00 H new ATOM 0 HG2 GLN A 30 9.321 -5.124 6.814 1.00 0.00 H new ATOM 0 HG3 GLN A 30 9.470 -6.711 7.543 1.00 0.00 H new ATOM 0 HE21 GLN A 30 11.527 -7.833 7.456 1.00 0.00 H new ATOM 0 HE22 GLN A 30 13.022 -6.908 7.278 1.00 0.00 H new ATOM 437 N PRO A 31 10.348 -6.617 2.234 1.00 0.00 N ATOM 438 CA PRO A 31 10.445 -7.319 0.950 1.00 0.00 C ATOM 439 C PRO A 31 10.284 -8.827 1.100 1.00 0.00 C ATOM 440 O PRO A 31 10.682 -9.406 2.111 1.00 0.00 O ATOM 441 CB PRO A 31 11.857 -6.977 0.466 1.00 0.00 C ATOM 442 CG PRO A 31 12.623 -6.682 1.710 1.00 0.00 C ATOM 443 CD PRO A 31 11.641 -6.059 2.663 1.00 0.00 C ATOM 0 HA PRO A 31 9.657 -7.017 0.259 1.00 0.00 H new ATOM 0 HB2 PRO A 31 12.299 -7.808 -0.084 1.00 0.00 H new ATOM 0 HB3 PRO A 31 11.848 -6.119 -0.206 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.051 -7.592 2.130 1.00 0.00 H new ATOM 0 HG3 PRO A 31 13.452 -6.005 1.506 1.00 0.00 H new ATOM 0 HD2 PRO A 31 11.866 -6.317 3.698 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.651 -4.971 2.596 1.00 0.00 H new ATOM 451 N SER A 32 9.698 -9.459 0.088 1.00 0.00 N ATOM 452 CA SER A 32 9.481 -10.901 0.109 1.00 0.00 C ATOM 453 C SER A 32 10.622 -11.632 -0.592 1.00 0.00 C ATOM 454 O SER A 32 11.050 -11.241 -1.678 1.00 0.00 O ATOM 455 CB SER A 32 8.151 -11.247 -0.561 1.00 0.00 C ATOM 456 OG SER A 32 8.042 -12.642 -0.788 1.00 0.00 O ATOM 0 H SER A 32 9.365 -8.995 -0.757 1.00 0.00 H new ATOM 0 HA SER A 32 9.450 -11.224 1.150 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.326 -10.912 0.067 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.068 -10.714 -1.508 1.00 0.00 H new ATOM 0 HG SER A 32 7.182 -12.838 -1.216 1.00 0.00 H new ATOM 462 N ALA A 33 11.110 -12.696 0.037 1.00 0.00 N ATOM 463 CA ALA A 33 12.200 -13.483 -0.526 1.00 0.00 C ATOM 464 C ALA A 33 11.738 -14.259 -1.755 1.00 0.00 C ATOM 465 O ALA A 33 10.849 -15.105 -1.670 1.00 0.00 O ATOM 466 CB ALA A 33 12.759 -14.435 0.522 1.00 0.00 C ATOM 0 H ALA A 33 10.768 -13.033 0.937 1.00 0.00 H new ATOM 0 HA ALA A 33 12.989 -12.797 -0.836 1.00 0.00 H new ATOM 0 HB1 ALA A 33 13.572 -15.017 0.088 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.134 -13.863 1.370 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.971 -15.108 0.859 1.00 0.00 H new ATOM 472 N GLY A 34 12.349 -13.965 -2.899 1.00 0.00 N ATOM 473 CA GLY A 34 11.986 -14.643 -4.129 1.00 0.00 C ATOM 474 C GLY A 34 11.134 -13.779 -5.038 1.00 0.00 C ATOM 475 O GLY A 34 11.271 -13.828 -6.260 1.00 0.00 O ATOM 0 H GLY A 34 13.089 -13.269 -2.995 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.892 -14.939 -4.658 1.00 0.00 H new ATOM 0 HA3 GLY A 34 11.444 -15.558 -3.890 1.00 0.00 H new ATOM 479 N ALA A 35 10.250 -12.987 -4.440 1.00 0.00 N ATOM 480 CA ALA A 35 9.372 -12.109 -5.204 1.00 0.00 C ATOM 481 C ALA A 35 10.176 -11.090 -6.004 1.00 0.00 C ATOM 482 O ALA A 35 10.960 -10.324 -5.444 1.00 0.00 O ATOM 483 CB ALA A 35 8.396 -11.401 -4.275 1.00 0.00 C ATOM 0 H ALA A 35 10.123 -12.935 -3.429 1.00 0.00 H new ATOM 0 HA ALA A 35 8.809 -12.722 -5.907 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.746 -10.749 -4.859 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.791 -12.141 -3.751 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.951 -10.806 -3.550 1.00 0.00 H new ATOM 489 N THR A 36 9.977 -11.087 -7.319 1.00 0.00 N ATOM 490 CA THR A 36 10.685 -10.164 -8.197 1.00 0.00 C ATOM 491 C THR A 36 9.961 -8.826 -8.286 1.00 0.00 C ATOM 492 O THR A 36 10.441 -7.890 -8.927 1.00 0.00 O ATOM 493 CB THR A 36 10.841 -10.746 -9.615 1.00 0.00 C ATOM 494 OG1 THR A 36 10.951 -9.685 -10.570 1.00 0.00 O ATOM 495 CG2 THR A 36 9.657 -11.633 -9.969 1.00 0.00 C ATOM 0 H THR A 36 9.331 -11.714 -7.799 1.00 0.00 H new ATOM 0 HA THR A 36 11.674 -10.011 -7.764 1.00 0.00 H new ATOM 0 HB THR A 36 11.747 -11.351 -9.638 1.00 0.00 H new ATOM 0 HG1 THR A 36 11.316 -8.888 -10.133 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.789 -12.032 -10.974 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.593 -12.456 -9.257 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.739 -11.047 -9.929 1.00 0.00 H new ATOM 503 N HIS A 37 8.803 -8.740 -7.638 1.00 0.00 N ATOM 504 CA HIS A 37 8.014 -7.514 -7.643 1.00 0.00 C ATOM 505 C HIS A 37 6.809 -7.639 -6.715 1.00 0.00 C ATOM 506 O HIS A 37 6.563 -8.701 -6.142 1.00 0.00 O ATOM 507 CB HIS A 37 7.547 -7.188 -9.062 1.00 0.00 C ATOM 508 CG HIS A 37 6.949 -8.360 -9.780 1.00 0.00 C ATOM 509 ND1 HIS A 37 7.707 -9.370 -10.332 1.00 0.00 N ATOM 510 CD2 HIS A 37 5.658 -8.679 -10.031 1.00 0.00 C ATOM 511 CE1 HIS A 37 6.909 -10.260 -10.895 1.00 0.00 C ATOM 512 NE2 HIS A 37 5.660 -9.864 -10.726 1.00 0.00 N ATOM 0 H HIS A 37 8.391 -9.505 -7.103 1.00 0.00 H new ATOM 0 HA HIS A 37 8.647 -6.703 -7.281 1.00 0.00 H new ATOM 0 HB2 HIS A 37 6.811 -6.385 -9.018 1.00 0.00 H new ATOM 0 HB3 HIS A 37 8.394 -6.813 -9.637 1.00 0.00 H new ATOM 0 HD2 HIS A 37 4.789 -8.109 -9.739 1.00 0.00 H new ATOM 0 HE1 HIS A 37 7.224 -11.158 -11.406 1.00 0.00 H new ATOM 0 HE2 HIS A 37 4.832 -10.358 -11.058 1.00 0.00 H new ATOM 521 N TYR A 38 6.063 -6.550 -6.571 1.00 0.00 N ATOM 522 CA TYR A 38 4.886 -6.537 -5.710 1.00 0.00 C ATOM 523 C TYR A 38 3.745 -5.760 -6.359 1.00 0.00 C ATOM 524 O TYR A 38 3.973 -4.817 -7.118 1.00 0.00 O ATOM 525 CB TYR A 38 5.229 -5.923 -4.352 1.00 0.00 C ATOM 526 CG TYR A 38 6.666 -6.140 -3.934 1.00 0.00 C ATOM 527 CD1 TYR A 38 7.137 -7.412 -3.630 1.00 0.00 C ATOM 528 CD2 TYR A 38 7.552 -5.074 -3.844 1.00 0.00 C ATOM 529 CE1 TYR A 38 8.448 -7.615 -3.247 1.00 0.00 C ATOM 530 CE2 TYR A 38 8.866 -5.268 -3.463 1.00 0.00 C ATOM 531 CZ TYR A 38 9.309 -6.540 -3.166 1.00 0.00 C ATOM 532 OH TYR A 38 10.617 -6.738 -2.785 1.00 0.00 O ATOM 0 H TYR A 38 6.252 -5.664 -7.040 1.00 0.00 H new ATOM 0 HA TYR A 38 4.562 -7.568 -5.564 1.00 0.00 H new ATOM 0 HB2 TYR A 38 5.027 -4.852 -4.385 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.571 -6.348 -3.594 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.466 -8.256 -3.694 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.208 -4.077 -4.076 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.797 -8.610 -3.012 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.542 -4.428 -3.398 1.00 0.00 H new ATOM 0 HH TYR A 38 11.090 -5.880 -2.779 1.00 0.00 H new ATOM 542 N LEU A 39 2.516 -6.162 -6.055 1.00 0.00 N ATOM 543 CA LEU A 39 1.337 -5.504 -6.606 1.00 0.00 C ATOM 544 C LEU A 39 0.732 -4.535 -5.596 1.00 0.00 C ATOM 545 O LEU A 39 0.570 -4.866 -4.422 1.00 0.00 O ATOM 546 CB LEU A 39 0.294 -6.545 -7.019 1.00 0.00 C ATOM 547 CG LEU A 39 -0.694 -6.112 -8.103 1.00 0.00 C ATOM 548 CD1 LEU A 39 -1.651 -5.061 -7.563 1.00 0.00 C ATOM 549 CD2 LEU A 39 0.049 -5.583 -9.321 1.00 0.00 C ATOM 0 H LEU A 39 2.310 -6.941 -5.430 1.00 0.00 H new ATOM 0 HA LEU A 39 1.645 -4.938 -7.485 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.817 -7.436 -7.367 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.272 -6.834 -6.134 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.276 -6.982 -8.407 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.347 -4.765 -8.348 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.208 -5.474 -6.722 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.086 -4.190 -7.232 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.670 -5.280 -10.082 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.656 -4.725 -9.033 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.694 -6.365 -9.722 1.00 0.00 H new ATOM 561 N VAL A 40 0.397 -3.335 -6.062 1.00 0.00 N ATOM 562 CA VAL A 40 -0.193 -2.318 -5.200 1.00 0.00 C ATOM 563 C VAL A 40 -1.593 -1.942 -5.674 1.00 0.00 C ATOM 564 O VAL A 40 -1.760 -1.347 -6.739 1.00 0.00 O ATOM 565 CB VAL A 40 0.678 -1.049 -5.151 1.00 0.00 C ATOM 566 CG1 VAL A 40 -0.004 0.036 -4.332 1.00 0.00 C ATOM 567 CG2 VAL A 40 2.054 -1.370 -4.585 1.00 0.00 C ATOM 0 H VAL A 40 0.524 -3.044 -7.031 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.253 -2.747 -4.200 1.00 0.00 H new ATOM 0 HB VAL A 40 0.805 -0.677 -6.168 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.627 0.925 -4.309 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.964 0.284 -4.784 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.164 -0.322 -3.315 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.657 -0.462 -4.557 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.949 -1.767 -3.575 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.543 -2.111 -5.217 1.00 0.00 H new ATOM 577 N ARG A 41 -2.596 -2.292 -4.876 1.00 0.00 N ATOM 578 CA ARG A 41 -3.982 -1.991 -5.213 1.00 0.00 C ATOM 579 C ARG A 41 -4.490 -0.797 -4.412 1.00 0.00 C ATOM 580 O ARG A 41 -4.530 -0.834 -3.181 1.00 0.00 O ATOM 581 CB ARG A 41 -4.869 -3.210 -4.951 1.00 0.00 C ATOM 582 CG ARG A 41 -4.995 -4.140 -6.146 1.00 0.00 C ATOM 583 CD ARG A 41 -6.043 -5.216 -5.907 1.00 0.00 C ATOM 584 NE ARG A 41 -5.748 -6.441 -6.646 1.00 0.00 N ATOM 585 CZ ARG A 41 -6.657 -7.369 -6.921 1.00 0.00 C ATOM 586 NH1 ARG A 41 -7.912 -7.213 -6.521 1.00 0.00 N ATOM 587 NH2 ARG A 41 -6.312 -8.457 -7.599 1.00 0.00 N ATOM 0 H ARG A 41 -2.475 -2.785 -3.991 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.025 -1.740 -6.273 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.464 -3.769 -4.108 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.863 -2.870 -4.660 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.260 -3.562 -7.031 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.031 -4.608 -6.348 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.097 -5.439 -4.841 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.022 -4.841 -6.204 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.792 -6.592 -6.968 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.181 -6.378 -6.000 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.608 -7.928 -6.734 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.348 -8.580 -7.909 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.011 -9.169 -7.810 1.00 0.00 H new ATOM 601 N CYS A 42 -4.878 0.260 -5.117 1.00 0.00 N ATOM 602 CA CYS A 42 -5.382 1.467 -4.471 1.00 0.00 C ATOM 603 C CYS A 42 -6.891 1.593 -4.657 1.00 0.00 C ATOM 604 O CYS A 42 -7.377 1.743 -5.778 1.00 0.00 O ATOM 605 CB CYS A 42 -4.681 2.704 -5.035 1.00 0.00 C ATOM 606 SG CYS A 42 -5.136 4.249 -4.213 1.00 0.00 S ATOM 0 H CYS A 42 -4.853 0.306 -6.136 1.00 0.00 H new ATOM 0 HA CYS A 42 -5.170 1.394 -3.404 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.603 2.566 -4.954 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -4.913 2.788 -6.097 1.00 0.00 H new ATOM 0 HG CYS A 42 -4.556 5.246 -4.812 1.00 0.00 H new ATOM 612 N SER A 43 -7.626 1.530 -3.552 1.00 0.00 N ATOM 613 CA SER A 43 -9.080 1.631 -3.594 1.00 0.00 C ATOM 614 C SER A 43 -9.612 2.325 -2.344 1.00 0.00 C ATOM 615 O SER A 43 -9.077 2.178 -1.245 1.00 0.00 O ATOM 616 CB SER A 43 -9.706 0.241 -3.725 1.00 0.00 C ATOM 617 OG SER A 43 -9.410 -0.334 -4.986 1.00 0.00 O ATOM 0 H SER A 43 -7.239 1.409 -2.616 1.00 0.00 H new ATOM 0 HA SER A 43 -9.353 2.228 -4.464 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.334 -0.406 -2.930 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.786 0.312 -3.598 1.00 0.00 H new ATOM 0 HG SER A 43 -8.575 -0.843 -4.925 1.00 0.00 H new ATOM 623 N PRO A 44 -10.694 3.100 -2.514 1.00 0.00 N ATOM 624 CA PRO A 44 -11.324 3.833 -1.411 1.00 0.00 C ATOM 625 C PRO A 44 -12.023 2.905 -0.424 1.00 0.00 C ATOM 626 O PRO A 44 -12.503 1.835 -0.797 1.00 0.00 O ATOM 627 CB PRO A 44 -12.344 4.729 -2.117 1.00 0.00 C ATOM 628 CG PRO A 44 -12.653 4.020 -3.391 1.00 0.00 C ATOM 629 CD PRO A 44 -11.384 3.322 -3.795 1.00 0.00 C ATOM 0 HA PRO A 44 -10.594 4.382 -0.817 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.240 4.863 -1.511 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.935 5.722 -2.305 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.464 3.305 -3.253 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.974 4.722 -4.160 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -11.588 2.383 -4.309 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -10.787 3.933 -4.472 1.00 0.00 H new ATOM 637 N ALA A 45 -12.078 3.322 0.837 1.00 0.00 N ATOM 638 CA ALA A 45 -12.722 2.529 1.877 1.00 0.00 C ATOM 639 C ALA A 45 -14.232 2.742 1.874 1.00 0.00 C ATOM 640 O ALA A 45 -14.985 1.921 2.398 1.00 0.00 O ATOM 641 CB ALA A 45 -12.140 2.875 3.240 1.00 0.00 C ATOM 0 H ALA A 45 -11.684 4.205 1.163 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.530 1.476 1.669 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -12.630 2.276 4.008 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.070 2.665 3.243 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -12.302 3.933 3.447 1.00 0.00 H new ATOM 647 N SER A 46 -14.667 3.849 1.282 1.00 0.00 N ATOM 648 CA SER A 46 -16.088 4.172 1.215 1.00 0.00 C ATOM 649 C SER A 46 -16.667 3.796 -0.145 1.00 0.00 C ATOM 650 O SER A 46 -16.099 4.096 -1.195 1.00 0.00 O ATOM 651 CB SER A 46 -16.307 5.663 1.481 1.00 0.00 C ATOM 652 OG SER A 46 -17.581 6.080 1.024 1.00 0.00 O ATOM 0 H SER A 46 -14.057 4.538 0.842 1.00 0.00 H new ATOM 0 HA SER A 46 -16.603 3.594 1.982 1.00 0.00 H new ATOM 0 HB2 SER A 46 -16.217 5.862 2.549 1.00 0.00 H new ATOM 0 HB3 SER A 46 -15.530 6.243 0.982 1.00 0.00 H new ATOM 0 HG SER A 46 -17.909 6.809 1.591 1.00 0.00 H new ATOM 658 N PRO A 47 -17.827 3.122 -0.127 1.00 0.00 N ATOM 659 CA PRO A 47 -18.510 2.690 -1.350 1.00 0.00 C ATOM 660 C PRO A 47 -19.090 3.861 -2.135 1.00 0.00 C ATOM 661 O PRO A 47 -19.699 3.676 -3.189 1.00 0.00 O ATOM 662 CB PRO A 47 -19.632 1.787 -0.829 1.00 0.00 C ATOM 663 CG PRO A 47 -19.889 2.264 0.558 1.00 0.00 C ATOM 664 CD PRO A 47 -18.561 2.731 1.088 1.00 0.00 C ATOM 0 HA PRO A 47 -17.831 2.193 -2.042 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -20.526 1.869 -1.448 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -19.333 0.739 -0.838 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -20.618 3.074 0.563 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -20.297 1.464 1.176 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -18.675 3.569 1.776 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -18.045 1.940 1.632 1.00 0.00 H new ATOM 672 N LYS A 48 -18.898 5.069 -1.615 1.00 0.00 N ATOM 673 CA LYS A 48 -19.400 6.272 -2.267 1.00 0.00 C ATOM 674 C LYS A 48 -19.319 6.142 -3.785 1.00 0.00 C ATOM 675 O LYS A 48 -20.323 6.275 -4.484 1.00 0.00 O ATOM 676 CB LYS A 48 -18.606 7.496 -1.806 1.00 0.00 C ATOM 677 CG LYS A 48 -19.080 8.064 -0.480 1.00 0.00 C ATOM 678 CD LYS A 48 -20.198 9.074 -0.673 1.00 0.00 C ATOM 679 CE LYS A 48 -19.668 10.400 -1.196 1.00 0.00 C ATOM 680 NZ LYS A 48 -20.767 11.295 -1.655 1.00 0.00 N ATOM 0 H LYS A 48 -18.398 5.240 -0.743 1.00 0.00 H new ATOM 0 HA LYS A 48 -20.446 6.398 -1.986 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -17.554 7.225 -1.720 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -18.674 8.271 -2.569 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -19.428 7.253 0.160 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -18.244 8.539 0.033 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -20.934 8.675 -1.371 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -20.712 9.235 0.275 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -19.098 10.898 -0.412 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -18.981 10.216 -2.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -20.364 12.188 -2.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -21.296 10.831 -2.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -21.409 11.492 -0.861 1.00 0.00 H new ATOM 694 N GLY A 49 -18.117 5.881 -4.289 1.00 0.00 N ATOM 695 CA GLY A 49 -17.928 5.736 -5.720 1.00 0.00 C ATOM 696 C GLY A 49 -17.791 4.287 -6.144 1.00 0.00 C ATOM 697 O GLY A 49 -17.589 3.406 -5.308 1.00 0.00 O ATOM 0 H GLY A 49 -17.270 5.767 -3.731 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -18.773 6.186 -6.242 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -17.037 6.286 -6.023 1.00 0.00 H new ATOM 701 N GLU A 50 -17.903 4.039 -7.445 1.00 0.00 N ATOM 702 CA GLU A 50 -17.793 2.685 -7.976 1.00 0.00 C ATOM 703 C GLU A 50 -16.723 2.612 -9.061 1.00 0.00 C ATOM 704 O GLU A 50 -16.932 2.008 -10.113 1.00 0.00 O ATOM 705 CB GLU A 50 -19.139 2.224 -8.539 1.00 0.00 C ATOM 706 CG GLU A 50 -19.679 3.123 -9.638 1.00 0.00 C ATOM 707 CD GLU A 50 -20.472 4.296 -9.095 1.00 0.00 C ATOM 708 OE1 GLU A 50 -21.239 4.097 -8.129 1.00 0.00 O ATOM 709 OE2 GLU A 50 -20.325 5.413 -9.634 1.00 0.00 O ATOM 0 H GLU A 50 -18.070 4.757 -8.150 1.00 0.00 H new ATOM 0 HA GLU A 50 -17.503 2.024 -7.159 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -19.033 1.212 -8.929 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -19.866 2.179 -7.728 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -18.849 3.497 -10.237 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -20.313 2.537 -10.303 1.00 0.00 H new ATOM 716 N GLU A 51 -15.577 3.231 -8.796 1.00 0.00 N ATOM 717 CA GLU A 51 -14.474 3.237 -9.751 1.00 0.00 C ATOM 718 C GLU A 51 -13.618 1.983 -9.600 1.00 0.00 C ATOM 719 O GLU A 51 -13.184 1.645 -8.500 1.00 0.00 O ATOM 720 CB GLU A 51 -13.610 4.485 -9.558 1.00 0.00 C ATOM 721 CG GLU A 51 -14.266 5.762 -10.056 1.00 0.00 C ATOM 722 CD GLU A 51 -14.183 5.911 -11.563 1.00 0.00 C ATOM 723 OE1 GLU A 51 -13.084 5.708 -12.120 1.00 0.00 O ATOM 724 OE2 GLU A 51 -15.218 6.230 -12.184 1.00 0.00 O ATOM 0 H GLU A 51 -15.388 3.734 -7.929 1.00 0.00 H new ATOM 0 HA GLU A 51 -14.896 3.249 -10.756 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -13.377 4.595 -8.499 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -12.663 4.345 -10.080 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -15.312 5.771 -9.751 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -13.788 6.620 -9.583 1.00 0.00 H new ATOM 731 N GLU A 52 -13.379 1.299 -10.715 1.00 0.00 N ATOM 732 CA GLU A 52 -12.576 0.082 -10.706 1.00 0.00 C ATOM 733 C GLU A 52 -11.353 0.244 -9.808 1.00 0.00 C ATOM 734 O GLU A 52 -10.785 1.331 -9.707 1.00 0.00 O ATOM 735 CB GLU A 52 -12.135 -0.274 -12.127 1.00 0.00 C ATOM 736 CG GLU A 52 -13.194 -1.017 -12.925 1.00 0.00 C ATOM 737 CD GLU A 52 -12.712 -1.413 -14.307 1.00 0.00 C ATOM 738 OE1 GLU A 52 -12.860 -0.599 -15.243 1.00 0.00 O ATOM 739 OE2 GLU A 52 -12.187 -2.536 -14.452 1.00 0.00 O ATOM 0 H GLU A 52 -13.730 1.567 -11.635 1.00 0.00 H new ATOM 0 HA GLU A 52 -13.191 -0.726 -10.311 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.869 0.641 -12.656 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -11.234 -0.886 -12.076 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -13.494 -1.911 -12.379 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -14.080 -0.389 -13.019 1.00 0.00 H new ATOM 746 N GLU A 53 -10.955 -0.845 -9.158 1.00 0.00 N ATOM 747 CA GLU A 53 -9.800 -0.823 -8.267 1.00 0.00 C ATOM 748 C GLU A 53 -8.503 -0.696 -9.061 1.00 0.00 C ATOM 749 O GLU A 53 -8.236 -1.487 -9.966 1.00 0.00 O ATOM 750 CB GLU A 53 -9.765 -2.091 -7.411 1.00 0.00 C ATOM 751 CG GLU A 53 -11.042 -2.330 -6.623 1.00 0.00 C ATOM 752 CD GLU A 53 -11.002 -3.617 -5.823 1.00 0.00 C ATOM 753 OE1 GLU A 53 -10.148 -3.728 -4.919 1.00 0.00 O ATOM 754 OE2 GLU A 53 -11.826 -4.514 -6.102 1.00 0.00 O ATOM 0 H GLU A 53 -11.414 -1.753 -9.231 1.00 0.00 H new ATOM 0 HA GLU A 53 -9.893 0.045 -7.614 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -9.580 -2.950 -8.056 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.927 -2.028 -6.717 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -11.209 -1.492 -5.947 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -11.888 -2.360 -7.310 1.00 0.00 H new ATOM 761 N ARG A 54 -7.701 0.306 -8.715 1.00 0.00 N ATOM 762 CA ARG A 54 -6.433 0.539 -9.395 1.00 0.00 C ATOM 763 C ARG A 54 -5.369 -0.443 -8.914 1.00 0.00 C ATOM 764 O ARG A 54 -5.387 -0.877 -7.763 1.00 0.00 O ATOM 765 CB ARG A 54 -5.960 1.975 -9.161 1.00 0.00 C ATOM 766 CG ARG A 54 -4.682 2.325 -9.905 1.00 0.00 C ATOM 767 CD ARG A 54 -4.927 2.459 -11.400 1.00 0.00 C ATOM 768 NE ARG A 54 -5.553 3.733 -11.740 1.00 0.00 N ATOM 769 CZ ARG A 54 -6.124 3.982 -12.913 1.00 0.00 C ATOM 770 NH1 ARG A 54 -6.147 3.048 -13.854 1.00 0.00 N ATOM 771 NH2 ARG A 54 -6.673 5.167 -13.148 1.00 0.00 N ATOM 0 H ARG A 54 -7.907 0.969 -7.968 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.589 0.385 -10.463 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.748 2.663 -9.467 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.802 2.127 -8.093 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.278 3.260 -9.516 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.932 1.554 -9.726 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.980 2.367 -11.932 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.563 1.641 -11.738 1.00 0.00 H new ATOM 0 HE ARG A 54 -5.552 4.473 -11.038 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.726 2.136 -13.678 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.586 3.242 -14.754 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -6.657 5.888 -12.427 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.111 5.356 -14.049 1.00 0.00 H new ATOM 785 N GLU A 55 -4.445 -0.790 -9.804 1.00 0.00 N ATOM 786 CA GLU A 55 -3.374 -1.722 -9.470 1.00 0.00 C ATOM 787 C GLU A 55 -2.077 -1.336 -10.175 1.00 0.00 C ATOM 788 O GLU A 55 -2.006 -1.321 -11.403 1.00 0.00 O ATOM 789 CB GLU A 55 -3.772 -3.149 -9.854 1.00 0.00 C ATOM 790 CG GLU A 55 -4.692 -3.220 -11.061 1.00 0.00 C ATOM 791 CD GLU A 55 -4.524 -4.506 -11.847 1.00 0.00 C ATOM 792 OE1 GLU A 55 -3.480 -5.171 -11.680 1.00 0.00 O ATOM 793 OE2 GLU A 55 -5.437 -4.848 -12.627 1.00 0.00 O ATOM 0 H GLU A 55 -4.416 -0.440 -10.762 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.209 -1.676 -8.394 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.870 -3.726 -10.061 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.265 -3.621 -9.004 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.727 -3.133 -10.730 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.494 -2.370 -11.715 1.00 0.00 H new ATOM 800 N VAL A 56 -1.053 -1.025 -9.387 1.00 0.00 N ATOM 801 CA VAL A 56 0.243 -0.639 -9.934 1.00 0.00 C ATOM 802 C VAL A 56 1.349 -1.556 -9.425 1.00 0.00 C ATOM 803 O VAL A 56 1.230 -2.153 -8.355 1.00 0.00 O ATOM 804 CB VAL A 56 0.593 0.817 -9.576 1.00 0.00 C ATOM 805 CG1 VAL A 56 -0.364 1.780 -10.263 1.00 0.00 C ATOM 806 CG2 VAL A 56 0.570 1.015 -8.068 1.00 0.00 C ATOM 0 H VAL A 56 -1.095 -1.033 -8.368 1.00 0.00 H new ATOM 0 HA VAL A 56 0.169 -0.730 -11.018 1.00 0.00 H new ATOM 0 HB VAL A 56 1.601 1.028 -9.932 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.102 2.804 -9.999 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.293 1.655 -11.343 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.384 1.572 -9.940 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.820 2.050 -7.833 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.425 0.786 -7.686 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.299 0.351 -7.603 1.00 0.00 H new ATOM 816 N GLN A 57 2.425 -1.662 -10.198 1.00 0.00 N ATOM 817 CA GLN A 57 3.553 -2.507 -9.824 1.00 0.00 C ATOM 818 C GLN A 57 4.791 -1.665 -9.533 1.00 0.00 C ATOM 819 O GLN A 57 5.170 -0.804 -10.327 1.00 0.00 O ATOM 820 CB GLN A 57 3.856 -3.512 -10.937 1.00 0.00 C ATOM 821 CG GLN A 57 3.022 -4.781 -10.855 1.00 0.00 C ATOM 822 CD GLN A 57 2.971 -5.532 -12.170 1.00 0.00 C ATOM 823 OE1 GLN A 57 4.004 -5.924 -12.715 1.00 0.00 O ATOM 824 NE2 GLN A 57 1.766 -5.738 -12.689 1.00 0.00 N ATOM 0 H GLN A 57 2.539 -1.174 -11.086 1.00 0.00 H new ATOM 0 HA GLN A 57 3.283 -3.049 -8.918 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.684 -3.036 -11.902 1.00 0.00 H new ATOM 0 HB3 GLN A 57 4.912 -3.778 -10.897 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.434 -5.433 -10.085 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.008 -4.525 -10.547 1.00 0.00 H new ATOM 0 HE21 GLN A 57 0.936 -5.396 -12.204 1.00 0.00 H new ATOM 0 HE22 GLN A 57 1.670 -6.238 -13.573 1.00 0.00 H new ATOM 833 N VAL A 58 5.418 -1.919 -8.389 1.00 0.00 N ATOM 834 CA VAL A 58 6.614 -1.185 -7.993 1.00 0.00 C ATOM 835 C VAL A 58 7.778 -2.133 -7.729 1.00 0.00 C ATOM 836 O VAL A 58 7.588 -3.248 -7.248 1.00 0.00 O ATOM 837 CB VAL A 58 6.360 -0.338 -6.732 1.00 0.00 C ATOM 838 CG1 VAL A 58 5.161 0.576 -6.934 1.00 0.00 C ATOM 839 CG2 VAL A 58 6.159 -1.234 -5.520 1.00 0.00 C ATOM 0 H VAL A 58 5.117 -2.628 -7.720 1.00 0.00 H new ATOM 0 HA VAL A 58 6.869 -0.524 -8.821 1.00 0.00 H new ATOM 0 HB VAL A 58 7.236 0.286 -6.553 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.997 1.166 -6.032 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.350 1.243 -7.775 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.275 -0.025 -7.139 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.981 -0.619 -4.638 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.301 -1.885 -5.687 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.051 -1.841 -5.365 1.00 0.00 H new ATOM 849 N GLY A 59 8.987 -1.680 -8.049 1.00 0.00 N ATOM 850 CA GLY A 59 10.166 -2.499 -7.840 1.00 0.00 C ATOM 851 C GLY A 59 10.688 -2.412 -6.419 1.00 0.00 C ATOM 852 O GLY A 59 11.696 -3.033 -6.082 1.00 0.00 O ATOM 0 H GLY A 59 9.170 -0.760 -8.449 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.930 -3.537 -8.074 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.949 -2.187 -8.531 1.00 0.00 H new ATOM 856 N ARG A 60 10.001 -1.639 -5.584 1.00 0.00 N ATOM 857 CA ARG A 60 10.403 -1.471 -4.193 1.00 0.00 C ATOM 858 C ARG A 60 9.228 -1.725 -3.253 1.00 0.00 C ATOM 859 O ARG A 60 8.065 -1.530 -3.606 1.00 0.00 O ATOM 860 CB ARG A 60 10.955 -0.063 -3.966 1.00 0.00 C ATOM 861 CG ARG A 60 10.318 0.992 -4.856 1.00 0.00 C ATOM 862 CD ARG A 60 10.987 1.049 -6.220 1.00 0.00 C ATOM 863 NE ARG A 60 10.673 2.284 -6.933 1.00 0.00 N ATOM 864 CZ ARG A 60 11.348 2.713 -7.994 1.00 0.00 C ATOM 865 NH1 ARG A 60 12.369 2.010 -8.462 1.00 0.00 N ATOM 866 NH2 ARG A 60 11.001 3.848 -8.588 1.00 0.00 N ATOM 0 H ARG A 60 9.164 -1.119 -5.847 1.00 0.00 H new ATOM 0 HA ARG A 60 11.184 -2.200 -3.976 1.00 0.00 H new ATOM 0 HB2 ARG A 60 10.803 0.214 -2.923 1.00 0.00 H new ATOM 0 HB3 ARG A 60 12.031 -0.071 -4.140 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.257 0.773 -4.979 1.00 0.00 H new ATOM 0 HG3 ARG A 60 10.389 1.967 -4.374 1.00 0.00 H new ATOM 0 HD2 ARG A 60 12.067 0.966 -6.098 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.667 0.195 -6.817 1.00 0.00 H new ATOM 0 HE ARG A 60 9.892 2.849 -6.598 1.00 0.00 H new ATOM 0 HH11 ARG A 60 12.638 1.137 -8.008 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.886 2.341 -9.277 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.216 4.392 -8.230 1.00 0.00 H new ATOM 0 HH22 ARG A 60 11.520 4.177 -9.402 1.00 0.00 H new ATOM 880 N PRO A 61 9.537 -2.172 -2.027 1.00 0.00 N ATOM 881 CA PRO A 61 8.521 -2.463 -1.011 1.00 0.00 C ATOM 882 C PRO A 61 7.846 -1.199 -0.487 1.00 0.00 C ATOM 883 O PRO A 61 7.013 -1.259 0.416 1.00 0.00 O ATOM 884 CB PRO A 61 9.318 -3.144 0.104 1.00 0.00 C ATOM 885 CG PRO A 61 10.709 -2.636 -0.060 1.00 0.00 C ATOM 886 CD PRO A 61 10.902 -2.427 -1.537 1.00 0.00 C ATOM 0 HA PRO A 61 7.711 -3.074 -1.409 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.918 -2.893 1.086 1.00 0.00 H new ATOM 0 HB3 PRO A 61 9.280 -4.229 0.012 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.851 -1.705 0.488 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.434 -3.350 0.331 1.00 0.00 H new ATOM 0 HD2 PRO A 61 11.565 -1.586 -1.741 1.00 0.00 H new ATOM 0 HD3 PRO A 61 11.342 -3.303 -2.013 1.00 0.00 H new ATOM 894 N GLU A 62 8.212 -0.057 -1.062 1.00 0.00 N ATOM 895 CA GLU A 62 7.641 1.220 -0.651 1.00 0.00 C ATOM 896 C GLU A 62 6.990 1.930 -1.835 1.00 0.00 C ATOM 897 O GLU A 62 7.642 2.209 -2.841 1.00 0.00 O ATOM 898 CB GLU A 62 8.722 2.113 -0.038 1.00 0.00 C ATOM 899 CG GLU A 62 9.865 2.425 -0.989 1.00 0.00 C ATOM 900 CD GLU A 62 11.075 3.001 -0.278 1.00 0.00 C ATOM 901 OE1 GLU A 62 10.888 3.870 0.600 1.00 0.00 O ATOM 902 OE2 GLU A 62 12.207 2.584 -0.599 1.00 0.00 O ATOM 0 H GLU A 62 8.900 0.009 -1.812 1.00 0.00 H new ATOM 0 HA GLU A 62 6.875 1.023 0.099 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.267 3.048 0.289 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.123 1.626 0.851 1.00 0.00 H new ATOM 0 HG2 GLU A 62 10.156 1.514 -1.513 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.522 3.132 -1.744 1.00 0.00 H new ATOM 909 N VAL A 63 5.699 2.220 -1.706 1.00 0.00 N ATOM 910 CA VAL A 63 4.959 2.898 -2.764 1.00 0.00 C ATOM 911 C VAL A 63 4.433 4.247 -2.288 1.00 0.00 C ATOM 912 O VAL A 63 3.991 4.386 -1.146 1.00 0.00 O ATOM 913 CB VAL A 63 3.776 2.043 -3.257 1.00 0.00 C ATOM 914 CG1 VAL A 63 2.774 1.818 -2.135 1.00 0.00 C ATOM 915 CG2 VAL A 63 3.109 2.700 -4.456 1.00 0.00 C ATOM 0 H VAL A 63 5.144 1.996 -0.880 1.00 0.00 H new ATOM 0 HA VAL A 63 5.655 3.053 -3.589 1.00 0.00 H new ATOM 0 HB VAL A 63 4.158 1.071 -3.569 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.946 1.212 -2.503 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.263 1.301 -1.309 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.394 2.779 -1.788 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.275 2.083 -4.792 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.740 3.686 -4.172 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.833 2.803 -5.264 1.00 0.00 H new ATOM 925 N LEU A 64 4.482 5.239 -3.170 1.00 0.00 N ATOM 926 CA LEU A 64 4.009 6.580 -2.841 1.00 0.00 C ATOM 927 C LEU A 64 2.932 7.033 -3.821 1.00 0.00 C ATOM 928 O LEU A 64 3.199 7.225 -5.008 1.00 0.00 O ATOM 929 CB LEU A 64 5.175 7.570 -2.852 1.00 0.00 C ATOM 930 CG LEU A 64 4.800 9.049 -2.760 1.00 0.00 C ATOM 931 CD1 LEU A 64 4.080 9.337 -1.451 1.00 0.00 C ATOM 932 CD2 LEU A 64 6.039 9.923 -2.892 1.00 0.00 C ATOM 0 H LEU A 64 4.844 5.141 -4.118 1.00 0.00 H new ATOM 0 HA LEU A 64 3.575 6.551 -1.842 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.836 7.331 -2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.747 7.417 -3.767 1.00 0.00 H new ATOM 0 HG LEU A 64 4.124 9.284 -3.582 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.821 10.395 -1.403 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.171 8.738 -1.396 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.732 9.085 -0.614 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.753 10.973 -2.824 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.739 9.685 -2.091 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.514 9.738 -3.856 1.00 0.00 H new ATOM 944 N LEU A 65 1.715 7.205 -3.317 1.00 0.00 N ATOM 945 CA LEU A 65 0.597 7.639 -4.147 1.00 0.00 C ATOM 946 C LEU A 65 0.432 9.154 -4.090 1.00 0.00 C ATOM 947 O LEU A 65 0.292 9.733 -3.012 1.00 0.00 O ATOM 948 CB LEU A 65 -0.695 6.956 -3.695 1.00 0.00 C ATOM 949 CG LEU A 65 -0.646 5.431 -3.586 1.00 0.00 C ATOM 950 CD1 LEU A 65 -1.954 4.893 -3.028 1.00 0.00 C ATOM 951 CD2 LEU A 65 -0.347 4.810 -4.943 1.00 0.00 C ATOM 0 H LEU A 65 1.477 7.050 -2.337 1.00 0.00 H new ATOM 0 HA LEU A 65 0.810 7.354 -5.177 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.975 7.361 -2.723 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.488 7.225 -4.393 1.00 0.00 H new ATOM 0 HG LEU A 65 0.156 5.160 -2.899 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.900 3.807 -2.958 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.127 5.313 -2.037 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.774 5.174 -3.689 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.316 3.725 -4.847 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.127 5.090 -5.651 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.616 5.170 -5.304 1.00 0.00 H new ATOM 963 N ASP A 66 0.446 9.790 -5.256 1.00 0.00 N ATOM 964 CA ASP A 66 0.295 11.238 -5.339 1.00 0.00 C ATOM 965 C ASP A 66 -1.070 11.609 -5.911 1.00 0.00 C ATOM 966 O ASP A 66 -1.554 10.978 -6.848 1.00 0.00 O ATOM 967 CB ASP A 66 1.404 11.839 -6.203 1.00 0.00 C ATOM 968 CG ASP A 66 1.453 11.230 -7.590 1.00 0.00 C ATOM 969 OD1 ASP A 66 0.707 11.705 -8.472 1.00 0.00 O ATOM 970 OD2 ASP A 66 2.235 10.278 -7.794 1.00 0.00 O ATOM 0 H ASP A 66 0.560 9.326 -6.157 1.00 0.00 H new ATOM 0 HA ASP A 66 0.370 11.645 -4.331 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.252 12.915 -6.287 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.365 11.691 -5.710 1.00 0.00 H new ATOM 975 N GLY A 67 -1.686 12.639 -5.337 1.00 0.00 N ATOM 976 CA GLY A 67 -2.989 13.076 -5.802 1.00 0.00 C ATOM 977 C GLY A 67 -4.121 12.516 -4.964 1.00 0.00 C ATOM 978 O GLY A 67 -4.954 11.756 -5.461 1.00 0.00 O ATOM 0 H GLY A 67 -1.306 13.178 -4.559 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.032 14.165 -5.783 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.123 12.769 -6.839 1.00 0.00 H new ATOM 982 N LEU A 68 -4.153 12.889 -3.690 1.00 0.00 N ATOM 983 CA LEU A 68 -5.191 12.417 -2.780 1.00 0.00 C ATOM 984 C LEU A 68 -5.850 13.585 -2.054 1.00 0.00 C ATOM 985 O LEU A 68 -5.409 14.728 -2.169 1.00 0.00 O ATOM 986 CB LEU A 68 -4.599 11.439 -1.764 1.00 0.00 C ATOM 987 CG LEU A 68 -4.030 10.140 -2.336 1.00 0.00 C ATOM 988 CD1 LEU A 68 -3.258 9.380 -1.268 1.00 0.00 C ATOM 989 CD2 LEU A 68 -5.143 9.276 -2.908 1.00 0.00 C ATOM 0 H LEU A 68 -3.472 13.517 -3.263 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.951 11.904 -3.369 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.806 11.950 -1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.373 11.185 -1.040 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.342 10.392 -3.143 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.860 8.458 -1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.436 9.997 -0.905 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.924 9.140 -0.439 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.719 8.356 -3.310 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.856 9.033 -2.120 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.653 9.819 -3.704 1.00 0.00 H new ATOM 1001 N GLU A 69 -6.907 13.289 -1.303 1.00 0.00 N ATOM 1002 CA GLU A 69 -7.625 14.315 -0.557 1.00 0.00 C ATOM 1003 C GLU A 69 -7.455 14.115 0.946 1.00 0.00 C ATOM 1004 O GLU A 69 -7.399 12.991 1.446 1.00 0.00 O ATOM 1005 CB GLU A 69 -9.112 14.294 -0.920 1.00 0.00 C ATOM 1006 CG GLU A 69 -9.376 14.423 -2.411 1.00 0.00 C ATOM 1007 CD GLU A 69 -10.780 14.909 -2.715 1.00 0.00 C ATOM 1008 OE1 GLU A 69 -11.341 15.654 -1.884 1.00 0.00 O ATOM 1009 OE2 GLU A 69 -11.317 14.546 -3.782 1.00 0.00 O ATOM 0 H GLU A 69 -7.284 12.347 -1.196 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.205 15.284 -0.827 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.552 13.364 -0.561 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.616 15.107 -0.398 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.654 15.115 -2.845 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.219 13.456 -2.889 1.00 0.00 H new ATOM 1016 N PRO A 70 -7.369 15.231 1.685 1.00 0.00 N ATOM 1017 CA PRO A 70 -7.203 15.205 3.141 1.00 0.00 C ATOM 1018 C PRO A 70 -8.454 14.709 3.858 1.00 0.00 C ATOM 1019 O PRO A 70 -9.570 14.885 3.373 1.00 0.00 O ATOM 1020 CB PRO A 70 -6.929 16.669 3.493 1.00 0.00 C ATOM 1021 CG PRO A 70 -7.564 17.448 2.393 1.00 0.00 C ATOM 1022 CD PRO A 70 -7.427 16.604 1.156 1.00 0.00 C ATOM 0 HA PRO A 70 -6.410 14.523 3.449 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -7.357 16.930 4.461 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.859 16.868 3.553 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -8.612 17.651 2.613 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.073 18.413 2.264 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -8.272 16.739 0.481 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -6.528 16.857 0.595 1.00 0.00 H new ATOM 1030 N GLY A 71 -8.259 14.089 5.018 1.00 0.00 N ATOM 1031 CA GLY A 71 -9.381 13.577 5.784 1.00 0.00 C ATOM 1032 C GLY A 71 -10.164 12.520 5.030 1.00 0.00 C ATOM 1033 O GLY A 71 -11.392 12.577 4.963 1.00 0.00 O ATOM 0 H GLY A 71 -7.344 13.932 5.441 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.015 13.155 6.720 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.046 14.401 6.044 1.00 0.00 H new ATOM 1037 N ARG A 72 -9.452 11.554 4.460 1.00 0.00 N ATOM 1038 CA ARG A 72 -10.087 10.481 3.704 1.00 0.00 C ATOM 1039 C ARG A 72 -9.416 9.141 3.993 1.00 0.00 C ATOM 1040 O ARG A 72 -8.195 9.065 4.133 1.00 0.00 O ATOM 1041 CB ARG A 72 -10.029 10.780 2.205 1.00 0.00 C ATOM 1042 CG ARG A 72 -11.049 10.003 1.389 1.00 0.00 C ATOM 1043 CD ARG A 72 -12.391 10.717 1.348 1.00 0.00 C ATOM 1044 NE ARG A 72 -13.476 9.822 0.957 1.00 0.00 N ATOM 1045 CZ ARG A 72 -14.725 10.226 0.751 1.00 0.00 C ATOM 1046 NH1 ARG A 72 -15.044 11.505 0.898 1.00 0.00 N ATOM 1047 NH2 ARG A 72 -15.657 9.351 0.397 1.00 0.00 N ATOM 0 H ARG A 72 -8.435 11.492 4.507 1.00 0.00 H new ATOM 0 HA ARG A 72 -11.130 10.420 4.015 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.189 11.847 2.050 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -9.030 10.550 1.836 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -10.677 9.867 0.374 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.178 9.009 1.817 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -12.606 11.140 2.329 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -12.337 11.549 0.646 1.00 0.00 H new ATOM 0 HE ARG A 72 -13.264 8.832 0.835 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -14.330 12.181 1.170 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -16.003 11.813 0.739 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -15.415 8.367 0.283 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -16.615 9.662 0.239 1.00 0.00 H new ATOM 1061 N ASP A 73 -10.221 8.088 4.081 1.00 0.00 N ATOM 1062 CA ASP A 73 -9.706 6.752 4.352 1.00 0.00 C ATOM 1063 C ASP A 73 -9.524 5.966 3.057 1.00 0.00 C ATOM 1064 O ASP A 73 -10.373 6.013 2.166 1.00 0.00 O ATOM 1065 CB ASP A 73 -10.649 5.999 5.291 1.00 0.00 C ATOM 1066 CG ASP A 73 -11.020 6.814 6.515 1.00 0.00 C ATOM 1067 OD1 ASP A 73 -10.255 7.736 6.868 1.00 0.00 O ATOM 1068 OD2 ASP A 73 -12.076 6.531 7.118 1.00 0.00 O ATOM 0 H ASP A 73 -11.234 8.134 3.968 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.733 6.856 4.833 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -11.556 5.728 4.750 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.176 5.069 5.607 1.00 0.00 H new ATOM 1073 N TYR A 74 -8.412 5.246 2.959 1.00 0.00 N ATOM 1074 CA TYR A 74 -8.117 4.453 1.772 1.00 0.00 C ATOM 1075 C TYR A 74 -7.669 3.046 2.154 1.00 0.00 C ATOM 1076 O TYR A 74 -7.269 2.798 3.291 1.00 0.00 O ATOM 1077 CB TYR A 74 -7.035 5.135 0.933 1.00 0.00 C ATOM 1078 CG TYR A 74 -7.458 6.473 0.371 1.00 0.00 C ATOM 1079 CD1 TYR A 74 -8.268 6.551 -0.756 1.00 0.00 C ATOM 1080 CD2 TYR A 74 -7.049 7.660 0.967 1.00 0.00 C ATOM 1081 CE1 TYR A 74 -8.656 7.772 -1.273 1.00 0.00 C ATOM 1082 CE2 TYR A 74 -7.434 8.885 0.457 1.00 0.00 C ATOM 1083 CZ TYR A 74 -8.237 8.936 -0.663 1.00 0.00 C ATOM 1084 OH TYR A 74 -8.622 10.153 -1.175 1.00 0.00 O ATOM 0 H TYR A 74 -7.700 5.195 3.688 1.00 0.00 H new ATOM 0 HA TYR A 74 -9.030 4.376 1.182 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.145 5.273 1.546 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.756 4.477 0.110 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.600 5.642 -1.235 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.419 7.624 1.844 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -9.284 7.815 -2.150 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.108 9.798 0.933 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.453 10.855 -0.512 1.00 0.00 H new ATOM 1094 N GLU A 75 -7.739 2.128 1.194 1.00 0.00 N ATOM 1095 CA GLU A 75 -7.341 0.745 1.430 1.00 0.00 C ATOM 1096 C GLU A 75 -6.237 0.325 0.463 1.00 0.00 C ATOM 1097 O GLU A 75 -6.490 0.079 -0.716 1.00 0.00 O ATOM 1098 CB GLU A 75 -8.545 -0.187 1.284 1.00 0.00 C ATOM 1099 CG GLU A 75 -9.311 -0.400 2.579 1.00 0.00 C ATOM 1100 CD GLU A 75 -8.431 -0.923 3.698 1.00 0.00 C ATOM 1101 OE1 GLU A 75 -7.796 -1.982 3.507 1.00 0.00 O ATOM 1102 OE2 GLU A 75 -8.377 -0.275 4.763 1.00 0.00 O ATOM 0 H GLU A 75 -8.067 2.317 0.247 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.956 0.672 2.447 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.222 0.223 0.535 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.203 -1.152 0.911 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.764 0.542 2.888 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.125 -1.103 2.404 1.00 0.00 H new ATOM 1109 N VAL A 76 -5.012 0.245 0.972 1.00 0.00 N ATOM 1110 CA VAL A 76 -3.869 -0.146 0.155 1.00 0.00 C ATOM 1111 C VAL A 76 -3.447 -1.581 0.451 1.00 0.00 C ATOM 1112 O VAL A 76 -3.008 -1.894 1.557 1.00 0.00 O ATOM 1113 CB VAL A 76 -2.667 0.789 0.387 1.00 0.00 C ATOM 1114 CG1 VAL A 76 -1.519 0.422 -0.540 1.00 0.00 C ATOM 1115 CG2 VAL A 76 -3.077 2.241 0.193 1.00 0.00 C ATOM 0 H VAL A 76 -4.785 0.446 1.946 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.183 -0.070 -0.886 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.326 0.666 1.415 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.679 1.093 -0.362 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.210 -0.605 -0.347 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.844 0.515 -1.576 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.216 2.888 0.361 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.445 2.383 -0.823 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.865 2.495 0.902 1.00 0.00 H new ATOM 1125 N SER A 77 -3.583 -2.450 -0.546 1.00 0.00 N ATOM 1126 CA SER A 77 -3.219 -3.853 -0.392 1.00 0.00 C ATOM 1127 C SER A 77 -1.930 -4.166 -1.146 1.00 0.00 C ATOM 1128 O SER A 77 -1.696 -3.651 -2.239 1.00 0.00 O ATOM 1129 CB SER A 77 -4.349 -4.753 -0.896 1.00 0.00 C ATOM 1130 OG SER A 77 -4.137 -6.101 -0.513 1.00 0.00 O ATOM 0 H SER A 77 -3.943 -2.207 -1.469 1.00 0.00 H new ATOM 0 HA SER A 77 -3.055 -4.046 0.668 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.301 -4.404 -0.497 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.414 -4.686 -1.982 1.00 0.00 H new ATOM 0 HG SER A 77 -4.077 -6.663 -1.314 1.00 0.00 H new ATOM 1136 N VAL A 78 -1.097 -5.015 -0.552 1.00 0.00 N ATOM 1137 CA VAL A 78 0.169 -5.398 -1.166 1.00 0.00 C ATOM 1138 C VAL A 78 0.258 -6.910 -1.344 1.00 0.00 C ATOM 1139 O VAL A 78 -0.037 -7.670 -0.423 1.00 0.00 O ATOM 1140 CB VAL A 78 1.368 -4.919 -0.327 1.00 0.00 C ATOM 1141 CG1 VAL A 78 2.678 -5.310 -0.995 1.00 0.00 C ATOM 1142 CG2 VAL A 78 1.299 -3.415 -0.109 1.00 0.00 C ATOM 0 H VAL A 78 -1.276 -5.450 0.353 1.00 0.00 H new ATOM 0 HA VAL A 78 0.205 -4.917 -2.144 1.00 0.00 H new ATOM 0 HB VAL A 78 1.325 -5.406 0.647 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.514 -4.963 -0.388 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.727 -6.394 -1.094 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.733 -4.853 -1.983 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.154 -3.094 0.486 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.316 -2.906 -1.073 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.377 -3.165 0.417 1.00 0.00 H new ATOM 1152 N GLN A 79 0.667 -7.337 -2.534 1.00 0.00 N ATOM 1153 CA GLN A 79 0.795 -8.759 -2.832 1.00 0.00 C ATOM 1154 C GLN A 79 2.130 -9.056 -3.505 1.00 0.00 C ATOM 1155 O GLN A 79 2.409 -8.564 -4.599 1.00 0.00 O ATOM 1156 CB GLN A 79 -0.356 -9.219 -3.730 1.00 0.00 C ATOM 1157 CG GLN A 79 -0.062 -10.506 -4.484 1.00 0.00 C ATOM 1158 CD GLN A 79 -1.162 -10.874 -5.460 1.00 0.00 C ATOM 1159 OE1 GLN A 79 -1.864 -10.005 -5.978 1.00 0.00 O ATOM 1160 NE2 GLN A 79 -1.317 -12.167 -5.717 1.00 0.00 N ATOM 0 H GLN A 79 0.915 -6.720 -3.307 1.00 0.00 H new ATOM 0 HA GLN A 79 0.754 -9.307 -1.891 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -1.248 -9.361 -3.120 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.583 -8.431 -4.448 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.878 -10.399 -5.025 1.00 0.00 H new ATOM 0 HG3 GLN A 79 0.072 -11.319 -3.770 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.712 -12.853 -5.265 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.041 -12.475 -6.367 1.00 0.00 H new ATOM 1169 N SER A 80 2.954 -9.864 -2.844 1.00 0.00 N ATOM 1170 CA SER A 80 4.263 -10.223 -3.377 1.00 0.00 C ATOM 1171 C SER A 80 4.122 -11.125 -4.600 1.00 0.00 C ATOM 1172 O SER A 80 3.690 -12.274 -4.493 1.00 0.00 O ATOM 1173 CB SER A 80 5.098 -10.926 -2.304 1.00 0.00 C ATOM 1174 OG SER A 80 5.530 -10.009 -1.314 1.00 0.00 O ATOM 0 H SER A 80 2.738 -10.282 -1.939 1.00 0.00 H new ATOM 0 HA SER A 80 4.770 -9.306 -3.679 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.509 -11.717 -1.840 1.00 0.00 H new ATOM 0 HB3 SER A 80 5.963 -11.402 -2.766 1.00 0.00 H new ATOM 0 HG SER A 80 5.180 -10.282 -0.440 1.00 0.00 H new ATOM 1180 N LEU A 81 4.491 -10.597 -5.762 1.00 0.00 N ATOM 1181 CA LEU A 81 4.407 -11.353 -7.007 1.00 0.00 C ATOM 1182 C LEU A 81 5.767 -11.929 -7.386 1.00 0.00 C ATOM 1183 O LEU A 81 6.784 -11.237 -7.326 1.00 0.00 O ATOM 1184 CB LEU A 81 3.886 -10.460 -8.134 1.00 0.00 C ATOM 1185 CG LEU A 81 2.442 -9.976 -7.994 1.00 0.00 C ATOM 1186 CD1 LEU A 81 2.212 -8.731 -8.837 1.00 0.00 C ATOM 1187 CD2 LEU A 81 1.469 -11.077 -8.389 1.00 0.00 C ATOM 0 H LEU A 81 4.851 -9.649 -5.868 1.00 0.00 H new ATOM 0 HA LEU A 81 3.712 -12.179 -6.856 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.535 -9.587 -8.209 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.976 -11.005 -9.074 1.00 0.00 H new ATOM 0 HG LEU A 81 2.265 -9.720 -6.949 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.179 -8.401 -8.725 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.884 -7.939 -8.507 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.408 -8.960 -9.885 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.447 -10.714 -8.283 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.646 -11.365 -9.425 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.616 -11.942 -7.742 1.00 0.00 H new ATOM 1199 N ARG A 82 5.777 -13.198 -7.780 1.00 0.00 N ATOM 1200 CA ARG A 82 7.012 -13.867 -8.171 1.00 0.00 C ATOM 1201 C ARG A 82 7.008 -14.188 -9.663 1.00 0.00 C ATOM 1202 O ARG A 82 8.021 -14.032 -10.344 1.00 0.00 O ATOM 1203 CB ARG A 82 7.199 -15.152 -7.363 1.00 0.00 C ATOM 1204 CG ARG A 82 8.631 -15.661 -7.350 1.00 0.00 C ATOM 1205 CD ARG A 82 8.707 -17.101 -6.867 1.00 0.00 C ATOM 1206 NE ARG A 82 10.086 -17.552 -6.703 1.00 0.00 N ATOM 1207 CZ ARG A 82 10.836 -18.000 -7.704 1.00 0.00 C ATOM 1208 NH1 ARG A 82 10.343 -18.057 -8.933 1.00 0.00 N ATOM 1209 NH2 ARG A 82 12.083 -18.393 -7.475 1.00 0.00 N ATOM 0 H ARG A 82 4.944 -13.784 -7.837 1.00 0.00 H new ATOM 0 HA ARG A 82 7.842 -13.192 -7.964 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.876 -14.976 -6.337 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.551 -15.926 -7.773 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.052 -15.590 -8.353 1.00 0.00 H new ATOM 0 HG3 ARG A 82 9.238 -15.027 -6.703 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.180 -17.193 -5.917 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.196 -17.749 -7.579 1.00 0.00 H new ATOM 0 HE ARG A 82 10.496 -17.521 -5.769 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.385 -17.756 -9.113 1.00 0.00 H new ATOM 0 HH12 ARG A 82 10.922 -18.401 -9.699 1.00 0.00 H new ATOM 0 HH21 ARG A 82 12.466 -18.351 -6.530 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.659 -18.737 -8.244 1.00 0.00 H new ATOM 1223 N GLY A 83 5.861 -14.637 -10.163 1.00 0.00 N ATOM 1224 CA GLY A 83 5.747 -14.973 -11.570 1.00 0.00 C ATOM 1225 C GLY A 83 4.386 -15.539 -11.923 1.00 0.00 C ATOM 1226 O GLY A 83 3.480 -14.818 -12.342 1.00 0.00 O ATOM 0 H GLY A 83 5.009 -14.774 -9.619 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.933 -14.082 -12.169 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.517 -15.699 -11.831 1.00 0.00 H new ATOM 1230 N PRO A 84 4.228 -16.860 -11.755 1.00 0.00 N ATOM 1231 CA PRO A 84 2.970 -17.551 -12.053 1.00 0.00 C ATOM 1232 C PRO A 84 1.864 -17.194 -11.066 1.00 0.00 C ATOM 1233 O PRO A 84 0.759 -16.829 -11.465 1.00 0.00 O ATOM 1234 CB PRO A 84 3.341 -19.031 -11.929 1.00 0.00 C ATOM 1235 CG PRO A 84 4.506 -19.053 -11.002 1.00 0.00 C ATOM 1236 CD PRO A 84 5.265 -17.781 -11.259 1.00 0.00 C ATOM 0 HA PRO A 84 2.576 -17.277 -13.032 1.00 0.00 H new ATOM 0 HB2 PRO A 84 2.510 -19.616 -11.534 1.00 0.00 H new ATOM 0 HB3 PRO A 84 3.599 -19.457 -12.899 1.00 0.00 H new ATOM 0 HG2 PRO A 84 4.178 -19.108 -9.964 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.133 -19.925 -11.185 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.737 -17.404 -10.352 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.057 -17.927 -11.993 1.00 0.00 H new ATOM 1244 N GLU A 85 2.170 -17.303 -9.777 1.00 0.00 N ATOM 1245 CA GLU A 85 1.200 -16.991 -8.734 1.00 0.00 C ATOM 1246 C GLU A 85 1.783 -16.006 -7.725 1.00 0.00 C ATOM 1247 O GLU A 85 2.992 -15.974 -7.501 1.00 0.00 O ATOM 1248 CB GLU A 85 0.759 -18.270 -8.018 1.00 0.00 C ATOM 1249 CG GLU A 85 1.815 -18.842 -7.088 1.00 0.00 C ATOM 1250 CD GLU A 85 1.215 -19.585 -5.911 1.00 0.00 C ATOM 1251 OE1 GLU A 85 0.739 -20.723 -6.108 1.00 0.00 O ATOM 1252 OE2 GLU A 85 1.220 -19.029 -4.793 1.00 0.00 O ATOM 0 H GLU A 85 3.081 -17.605 -9.430 1.00 0.00 H new ATOM 0 HA GLU A 85 0.333 -16.530 -9.207 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.144 -18.062 -7.444 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.497 -19.022 -8.763 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.460 -19.518 -7.649 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.445 -18.033 -6.719 1.00 0.00 H new ATOM 1259 N GLY A 86 0.913 -15.203 -7.119 1.00 0.00 N ATOM 1260 CA GLY A 86 1.360 -14.228 -6.142 1.00 0.00 C ATOM 1261 C GLY A 86 1.042 -14.644 -4.720 1.00 0.00 C ATOM 1262 O GLY A 86 0.798 -15.820 -4.450 1.00 0.00 O ATOM 0 H GLY A 86 -0.093 -15.211 -7.288 1.00 0.00 H new ATOM 0 HA2 GLY A 86 2.436 -14.084 -6.243 1.00 0.00 H new ATOM 0 HA3 GLY A 86 0.889 -13.267 -6.350 1.00 0.00 H new ATOM 1266 N SER A 87 1.047 -13.678 -3.807 1.00 0.00 N ATOM 1267 CA SER A 87 0.762 -13.952 -2.403 1.00 0.00 C ATOM 1268 C SER A 87 -0.613 -13.418 -2.013 1.00 0.00 C ATOM 1269 O SER A 87 -1.285 -12.766 -2.811 1.00 0.00 O ATOM 1270 CB SER A 87 1.836 -13.326 -1.512 1.00 0.00 C ATOM 1271 OG SER A 87 1.307 -12.977 -0.244 1.00 0.00 O ATOM 0 H SER A 87 1.245 -12.699 -4.014 1.00 0.00 H new ATOM 0 HA SER A 87 0.766 -15.033 -2.261 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.661 -14.027 -1.385 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.243 -12.439 -1.997 1.00 0.00 H new ATOM 0 HG SER A 87 1.545 -13.667 0.411 1.00 0.00 H new ATOM 1277 N GLU A 88 -1.023 -13.701 -0.781 1.00 0.00 N ATOM 1278 CA GLU A 88 -2.318 -13.250 -0.285 1.00 0.00 C ATOM 1279 C GLU A 88 -2.378 -11.726 -0.228 1.00 0.00 C ATOM 1280 O GLU A 88 -1.350 -11.052 -0.268 1.00 0.00 O ATOM 1281 CB GLU A 88 -2.590 -13.835 1.102 1.00 0.00 C ATOM 1282 CG GLU A 88 -3.167 -15.240 1.068 1.00 0.00 C ATOM 1283 CD GLU A 88 -2.329 -16.195 0.241 1.00 0.00 C ATOM 1284 OE1 GLU A 88 -2.530 -16.248 -0.990 1.00 0.00 O ATOM 1285 OE2 GLU A 88 -1.471 -16.889 0.825 1.00 0.00 O ATOM 0 H GLU A 88 -0.478 -14.240 -0.108 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.085 -13.601 -0.975 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.660 -13.847 1.671 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.281 -13.181 1.634 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.247 -15.621 2.086 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.178 -15.204 0.661 1.00 0.00 H new ATOM 1292 N ALA A 89 -3.591 -11.191 -0.135 1.00 0.00 N ATOM 1293 CA ALA A 89 -3.786 -9.748 -0.070 1.00 0.00 C ATOM 1294 C ALA A 89 -3.581 -9.229 1.348 1.00 0.00 C ATOM 1295 O ALA A 89 -4.289 -9.626 2.274 1.00 0.00 O ATOM 1296 CB ALA A 89 -5.175 -9.380 -0.573 1.00 0.00 C ATOM 0 H ALA A 89 -4.453 -11.735 -0.103 1.00 0.00 H new ATOM 0 HA ALA A 89 -3.042 -9.277 -0.712 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.307 -8.299 -0.519 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.286 -9.708 -1.607 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.927 -9.869 0.046 1.00 0.00 H new ATOM 1302 N ARG A 90 -2.606 -8.340 1.513 1.00 0.00 N ATOM 1303 CA ARG A 90 -2.306 -7.768 2.820 1.00 0.00 C ATOM 1304 C ARG A 90 -2.212 -6.247 2.740 1.00 0.00 C ATOM 1305 O ARG A 90 -1.174 -5.697 2.376 1.00 0.00 O ATOM 1306 CB ARG A 90 -0.996 -8.342 3.363 1.00 0.00 C ATOM 1307 CG ARG A 90 -1.091 -9.807 3.759 1.00 0.00 C ATOM 1308 CD ARG A 90 -1.848 -9.983 5.066 1.00 0.00 C ATOM 1309 NE ARG A 90 -1.136 -9.389 6.194 1.00 0.00 N ATOM 1310 CZ ARG A 90 -1.317 -9.762 7.456 1.00 0.00 C ATOM 1311 NH1 ARG A 90 -2.181 -10.724 7.749 1.00 0.00 N ATOM 1312 NH2 ARG A 90 -0.631 -9.174 8.428 1.00 0.00 N ATOM 0 H ARG A 90 -2.011 -8.001 0.758 1.00 0.00 H new ATOM 0 HA ARG A 90 -3.119 -8.030 3.498 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -0.218 -8.228 2.608 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.686 -7.759 4.230 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -1.592 -10.367 2.969 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -0.089 -10.224 3.859 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.834 -9.526 4.978 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -2.004 -11.045 5.254 1.00 0.00 H new ATOM 0 HE ARG A 90 -0.463 -8.647 6.002 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -2.709 -11.180 7.004 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -2.318 -11.008 8.719 1.00 0.00 H new ATOM 0 HH21 ARG A 90 0.036 -8.435 8.206 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -0.771 -9.461 9.397 1.00 0.00 H new ATOM 1326 N GLY A 91 -3.306 -5.573 3.081 1.00 0.00 N ATOM 1327 CA GLY A 91 -3.327 -4.122 3.040 1.00 0.00 C ATOM 1328 C GLY A 91 -3.484 -3.506 4.416 1.00 0.00 C ATOM 1329 O GLY A 91 -3.851 -4.190 5.372 1.00 0.00 O ATOM 0 H GLY A 91 -4.178 -6.006 3.385 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.404 -3.761 2.587 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.146 -3.791 2.402 1.00 0.00 H new ATOM 1333 N ILE A 92 -3.204 -2.211 4.518 1.00 0.00 N ATOM 1334 CA ILE A 92 -3.316 -1.503 5.787 1.00 0.00 C ATOM 1335 C ILE A 92 -4.082 -0.194 5.621 1.00 0.00 C ATOM 1336 O ILE A 92 -4.022 0.442 4.569 1.00 0.00 O ATOM 1337 CB ILE A 92 -1.931 -1.201 6.388 1.00 0.00 C ATOM 1338 CG1 ILE A 92 -2.076 -0.401 7.684 1.00 0.00 C ATOM 1339 CG2 ILE A 92 -1.072 -0.444 5.385 1.00 0.00 C ATOM 1340 CD1 ILE A 92 -0.883 -0.525 8.607 1.00 0.00 C ATOM 0 H ILE A 92 -2.898 -1.631 3.737 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.862 -2.158 6.466 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.438 -2.145 6.620 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.227 0.650 7.438 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.969 -0.737 8.211 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.096 -0.238 5.824 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.945 -1.047 4.486 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.559 0.496 5.125 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.055 0.068 9.505 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.744 -1.570 8.883 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.010 -0.162 8.098 1.00 0.00 H new ATOM 1352 N ARG A 93 -4.799 0.202 6.667 1.00 0.00 N ATOM 1353 CA ARG A 93 -5.576 1.435 6.638 1.00 0.00 C ATOM 1354 C ARG A 93 -4.668 2.645 6.436 1.00 0.00 C ATOM 1355 O ARG A 93 -3.614 2.754 7.061 1.00 0.00 O ATOM 1356 CB ARG A 93 -6.372 1.593 7.934 1.00 0.00 C ATOM 1357 CG ARG A 93 -7.758 0.971 7.877 1.00 0.00 C ATOM 1358 CD ARG A 93 -8.790 1.958 7.353 1.00 0.00 C ATOM 1359 NE ARG A 93 -10.008 1.289 6.903 1.00 0.00 N ATOM 1360 CZ ARG A 93 -10.922 0.793 7.730 1.00 0.00 C ATOM 1361 NH1 ARG A 93 -10.757 0.891 9.042 1.00 0.00 N ATOM 1362 NH2 ARG A 93 -12.004 0.198 7.245 1.00 0.00 N ATOM 0 H ARG A 93 -4.858 -0.313 7.545 1.00 0.00 H new ATOM 0 HA ARG A 93 -6.269 1.378 5.799 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -5.812 1.139 8.752 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.468 2.654 8.164 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -7.737 0.090 7.235 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -8.048 0.634 8.872 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -9.038 2.674 8.137 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -8.362 2.526 6.527 1.00 0.00 H new ATOM 0 HE ARG A 93 -10.165 1.198 5.899 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -9.927 1.348 9.419 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -11.460 0.509 9.674 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -12.135 0.121 6.236 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -12.705 -0.182 7.881 1.00 0.00 H new ATOM 1376 N ALA A 94 -5.085 3.551 5.557 1.00 0.00 N ATOM 1377 CA ALA A 94 -4.311 4.753 5.274 1.00 0.00 C ATOM 1378 C ALA A 94 -5.124 6.011 5.563 1.00 0.00 C ATOM 1379 O ALA A 94 -5.872 6.486 4.709 1.00 0.00 O ATOM 1380 CB ALA A 94 -3.838 4.748 3.828 1.00 0.00 C ATOM 0 H ALA A 94 -5.954 3.475 5.029 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.440 4.757 5.929 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -3.261 5.652 3.631 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.212 3.873 3.653 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -4.701 4.716 3.163 1.00 0.00 H new ATOM 1386 N ARG A 95 -4.972 6.544 6.771 1.00 0.00 N ATOM 1387 CA ARG A 95 -5.694 7.745 7.172 1.00 0.00 C ATOM 1388 C ARG A 95 -4.841 8.991 6.951 1.00 0.00 C ATOM 1389 O ARG A 95 -3.613 8.939 7.032 1.00 0.00 O ATOM 1390 CB ARG A 95 -6.107 7.650 8.641 1.00 0.00 C ATOM 1391 CG ARG A 95 -4.976 7.947 9.613 1.00 0.00 C ATOM 1392 CD ARG A 95 -5.163 7.208 10.928 1.00 0.00 C ATOM 1393 NE ARG A 95 -3.905 7.054 11.653 1.00 0.00 N ATOM 1394 CZ ARG A 95 -3.831 6.858 12.965 1.00 0.00 C ATOM 1395 NH1 ARG A 95 -4.938 6.793 13.692 1.00 0.00 N ATOM 1396 NH2 ARG A 95 -2.649 6.727 13.552 1.00 0.00 N ATOM 0 H ARG A 95 -4.355 6.163 7.489 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.589 7.824 6.555 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -6.925 8.346 8.825 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.490 6.649 8.838 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -4.025 7.659 9.165 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -4.929 9.020 9.801 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -5.876 7.750 11.550 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -5.592 6.225 10.734 1.00 0.00 H new ATOM 0 HE ARG A 95 -3.035 7.099 11.123 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -5.849 6.894 13.244 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -4.879 6.642 14.699 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -1.795 6.777 12.996 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -2.594 6.577 14.559 1.00 0.00 H new ATOM 1410 N THR A 96 -5.500 10.111 6.671 1.00 0.00 N ATOM 1411 CA THR A 96 -4.803 11.370 6.437 1.00 0.00 C ATOM 1412 C THR A 96 -5.488 12.521 7.165 1.00 0.00 C ATOM 1413 O THR A 96 -6.714 12.585 7.261 1.00 0.00 O ATOM 1414 CB THR A 96 -4.729 11.700 4.935 1.00 0.00 C ATOM 1415 OG1 THR A 96 -6.040 11.666 4.360 1.00 0.00 O ATOM 1416 CG2 THR A 96 -3.826 10.714 4.208 1.00 0.00 C ATOM 0 H THR A 96 -6.516 10.172 6.601 1.00 0.00 H new ATOM 0 HA THR A 96 -3.792 11.248 6.825 1.00 0.00 H new ATOM 0 HB THR A 96 -4.311 12.701 4.826 1.00 0.00 H new ATOM 0 HG1 THR A 96 -5.984 11.879 3.405 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.789 10.967 3.148 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.821 10.763 4.628 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.220 9.705 4.326 1.00 0.00 H new ATOM 1424 N PRO A 97 -4.680 13.453 7.691 1.00 0.00 N ATOM 1425 CA PRO A 97 -5.187 14.621 8.419 1.00 0.00 C ATOM 1426 C PRO A 97 -5.897 15.612 7.503 1.00 0.00 C ATOM 1427 O PRO A 97 -6.238 15.287 6.365 1.00 0.00 O ATOM 1428 CB PRO A 97 -3.921 15.249 9.008 1.00 0.00 C ATOM 1429 CG PRO A 97 -2.824 14.811 8.100 1.00 0.00 C ATOM 1430 CD PRO A 97 -3.210 13.441 7.615 1.00 0.00 C ATOM 0 HA PRO A 97 -5.930 14.344 9.167 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -3.997 16.336 9.042 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -3.749 14.910 10.029 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -2.709 15.502 7.265 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -1.870 14.784 8.626 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -2.862 13.262 6.598 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -2.782 12.658 8.241 1.00 0.00 H new ATOM 1438 N THR A 98 -6.117 16.823 8.005 1.00 0.00 N ATOM 1439 CA THR A 98 -6.787 17.861 7.233 1.00 0.00 C ATOM 1440 C THR A 98 -6.187 19.233 7.518 1.00 0.00 C ATOM 1441 O THR A 98 -6.349 19.776 8.611 1.00 0.00 O ATOM 1442 CB THR A 98 -8.297 17.900 7.535 1.00 0.00 C ATOM 1443 OG1 THR A 98 -8.510 18.111 8.935 1.00 0.00 O ATOM 1444 CG2 THR A 98 -8.969 16.606 7.103 1.00 0.00 C ATOM 0 H THR A 98 -5.840 17.109 8.944 1.00 0.00 H new ATOM 0 HA THR A 98 -6.641 17.616 6.181 1.00 0.00 H new ATOM 0 HB THR A 98 -8.737 18.723 6.973 1.00 0.00 H new ATOM 0 HG1 THR A 98 -7.853 18.755 9.272 1.00 0.00 H new ATOM 0 HG21 THR A 98 -10.035 16.657 7.326 1.00 0.00 H new ATOM 0 HG22 THR A 98 -8.829 16.464 6.031 1.00 0.00 H new ATOM 0 HG23 THR A 98 -8.525 15.768 7.641 1.00 0.00 H new ATOM 1452 N SER A 99 -5.493 19.788 6.530 1.00 0.00 N ATOM 1453 CA SER A 99 -4.866 21.096 6.677 1.00 0.00 C ATOM 1454 C SER A 99 -5.858 22.212 6.367 1.00 0.00 C ATOM 1455 O SER A 99 -5.479 23.279 5.884 1.00 0.00 O ATOM 1456 CB SER A 99 -3.650 21.209 5.755 1.00 0.00 C ATOM 1457 OG SER A 99 -2.987 22.448 5.934 1.00 0.00 O ATOM 0 H SER A 99 -5.351 19.352 5.619 1.00 0.00 H new ATOM 0 HA SER A 99 -4.540 21.200 7.712 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.959 20.391 5.958 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.967 21.109 4.717 1.00 0.00 H new ATOM 0 HG SER A 99 -3.650 23.166 6.008 1.00 0.00 H new ATOM 1463 N GLY A 100 -7.133 21.958 6.648 1.00 0.00 N ATOM 1464 CA GLY A 100 -8.161 22.949 6.392 1.00 0.00 C ATOM 1465 C GLY A 100 -8.294 23.951 7.522 1.00 0.00 C ATOM 1466 O GLY A 100 -7.372 24.152 8.314 1.00 0.00 O ATOM 0 H GLY A 100 -7.472 21.083 7.048 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -7.930 23.477 5.467 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.116 22.446 6.242 1.00 0.00 H new ATOM 1470 N PRO A 101 -9.464 24.602 7.607 1.00 0.00 N ATOM 1471 CA PRO A 101 -9.741 25.600 8.644 1.00 0.00 C ATOM 1472 C PRO A 101 -9.876 24.976 10.028 1.00 0.00 C ATOM 1473 O PRO A 101 -10.934 24.459 10.386 1.00 0.00 O ATOM 1474 CB PRO A 101 -11.072 26.212 8.201 1.00 0.00 C ATOM 1475 CG PRO A 101 -11.723 25.150 7.383 1.00 0.00 C ATOM 1476 CD PRO A 101 -10.606 24.413 6.697 1.00 0.00 C ATOM 0 HA PRO A 101 -8.933 26.325 8.737 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -11.687 26.484 9.058 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -10.916 27.120 7.619 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -12.307 24.477 8.011 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -12.409 25.583 6.656 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.843 23.358 6.564 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -10.403 24.822 5.707 1.00 0.00 H new ATOM 1484 N SER A 102 -8.797 25.028 10.804 1.00 0.00 N ATOM 1485 CA SER A 102 -8.795 24.464 12.148 1.00 0.00 C ATOM 1486 C SER A 102 -9.337 25.469 13.160 1.00 0.00 C ATOM 1487 O SER A 102 -9.279 26.679 12.941 1.00 0.00 O ATOM 1488 CB SER A 102 -7.379 24.038 12.543 1.00 0.00 C ATOM 1489 OG SER A 102 -7.348 23.540 13.870 1.00 0.00 O ATOM 0 H SER A 102 -7.914 25.455 10.524 1.00 0.00 H new ATOM 0 HA SER A 102 -9.444 23.588 12.149 1.00 0.00 H new ATOM 0 HB2 SER A 102 -7.021 23.272 11.855 1.00 0.00 H new ATOM 0 HB3 SER A 102 -6.702 24.888 12.454 1.00 0.00 H new ATOM 0 HG SER A 102 -6.433 23.273 14.098 1.00 0.00 H new ATOM 1495 N SER A 103 -9.864 24.958 14.268 1.00 0.00 N ATOM 1496 CA SER A 103 -10.420 25.810 15.313 1.00 0.00 C ATOM 1497 C SER A 103 -10.589 25.033 16.615 1.00 0.00 C ATOM 1498 O SER A 103 -11.292 24.025 16.663 1.00 0.00 O ATOM 1499 CB SER A 103 -11.768 26.382 14.870 1.00 0.00 C ATOM 1500 OG SER A 103 -11.594 27.558 14.098 1.00 0.00 O ATOM 0 H SER A 103 -9.918 23.959 14.465 1.00 0.00 H new ATOM 0 HA SER A 103 -9.724 26.630 15.487 1.00 0.00 H new ATOM 0 HB2 SER A 103 -12.309 25.637 14.287 1.00 0.00 H new ATOM 0 HB3 SER A 103 -12.378 26.605 15.746 1.00 0.00 H new ATOM 0 HG SER A 103 -10.785 27.474 13.551 1.00 0.00 H new ATOM 1506 N GLY A 104 -9.937 25.511 17.671 1.00 0.00 N ATOM 1507 CA GLY A 104 -10.026 24.849 18.960 1.00 0.00 C ATOM 1508 C GLY A 104 -9.223 25.558 20.032 1.00 0.00 C ATOM 1509 O GLY A 104 -9.231 25.151 21.194 1.00 0.00 O ATOM 0 H GLY A 104 -9.349 26.344 17.657 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -11.071 24.797 19.267 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -9.671 23.823 18.863 1.00 0.00 H new TER 1513 GLY A 104