USER MOD reduce.3.24.130724 H: found=0, std=0, add=980, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 980 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 40 TYR OH : rot 180:sc=-0.00145 USER MOD Set 1.2: A 43 HIS : no HD1:sc= 0 X(o=-0.0014,f=-0.0014) USER MOD Set 2.1: A 6 SER OG : rot -179:sc= -0.111 USER MOD Set 2.2: A 9 THR OG1 : rot -161:sc= 1.19 USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.0896 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -82:sc= 1.2 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 HIS : no HD1:sc=-3.67e-05 X(o=-3.7e-05,f=-3.7e-05) USER MOD Single : A 35 THR OG1 : rot -150:sc= -0.167 USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN :FLIP amide:sc= 0 F(o=-0.73,f=0) USER MOD Single : A 55 HIS : no HE2:sc= -0.306 K(o=-0.31,f=-1.4) USER MOD Single : A 58 HIS : no HD1:sc= -0.0174 X(o=-0.017,f=-0.042) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -0.866 X(o=-0.87,f=-0.69) USER MOD Single : A 71 THR OG1 : rot 76:sc= 0.736 USER MOD Single : A 73 ASN : amide:sc= -0.119 K(o=-0.12,f=-4.6!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 142:sc= -0.513 (180deg=-1.04) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 179:sc= 1.21 (180deg=1.14) USER MOD Single : A 105 ASN : amide:sc= -0.0127 X(o=-0.013,f=0) USER MOD Single : A 113 SER OG : rot 63:sc= 1.1 USER MOD Single : A 115 THR OG1 : rot -78:sc= 0.142 USER MOD Single : A 116 GLN : amide:sc= -0.111 K(o=-0.11,f=-5.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.664 -4.814 8.382 1.00 9.84 N ATOM 2 CA GLY A 1 -24.156 -6.098 7.845 1.00 9.33 C ATOM 3 C GLY A 1 -22.699 -6.311 8.184 1.00 8.55 C ATOM 4 O GLY A 1 -22.020 -5.380 8.619 1.00 8.34 O ATOM 0 H1 GLY A 1 -25.329 -5.002 9.159 1.00 9.84 H new ATOM 0 H2 GLY A 1 -23.868 -4.247 8.737 1.00 9.84 H new ATOM 0 H3 GLY A 1 -25.153 -4.291 7.627 1.00 9.84 H new ATOM 0 HA2 GLY A 1 -24.747 -6.920 8.249 1.00 9.33 H new ATOM 0 HA3 GLY A 1 -24.284 -6.115 6.763 1.00 9.33 H new ATOM 10 N ALA A 2 -22.214 -7.528 7.981 1.00 8.39 N ATOM 11 CA ALA A 2 -20.831 -7.865 8.284 1.00 7.95 C ATOM 12 C ALA A 2 -19.894 -7.329 7.207 1.00 7.24 C ATOM 13 O ALA A 2 -19.300 -8.092 6.439 1.00 7.25 O ATOM 14 CB ALA A 2 -20.678 -9.374 8.432 1.00 8.62 C ATOM 0 H ALA A 2 -22.762 -8.302 7.606 1.00 8.39 H new ATOM 0 HA ALA A 2 -20.559 -7.394 9.229 1.00 7.95 H new ATOM 0 HB1 ALA A 2 -19.639 -9.614 8.659 1.00 8.62 H new ATOM 0 HB2 ALA A 2 -21.317 -9.727 9.242 1.00 8.62 H new ATOM 0 HB3 ALA A 2 -20.969 -9.862 7.502 1.00 8.62 H new ATOM 20 N MET A 3 -19.747 -6.010 7.174 1.00 6.97 N ATOM 21 CA MET A 3 -18.937 -5.345 6.160 1.00 6.66 C ATOM 22 C MET A 3 -17.459 -5.365 6.534 1.00 5.89 C ATOM 23 O MET A 3 -16.672 -4.565 6.038 1.00 5.94 O ATOM 24 CB MET A 3 -19.405 -3.897 5.959 1.00 7.35 C ATOM 25 CG MET A 3 -20.844 -3.773 5.477 1.00 8.09 C ATOM 26 SD MET A 3 -21.149 -4.685 3.951 1.00 8.78 S ATOM 27 CE MET A 3 -22.862 -4.266 3.645 1.00 9.31 C ATOM 0 H MET A 3 -20.182 -5.375 7.844 1.00 6.97 H new ATOM 0 HA MET A 3 -19.063 -5.892 5.226 1.00 6.66 H new ATOM 0 HB2 MET A 3 -19.300 -3.358 6.901 1.00 7.35 H new ATOM 0 HB3 MET A 3 -18.748 -3.410 5.238 1.00 7.35 H new ATOM 0 HG2 MET A 3 -21.516 -4.138 6.254 1.00 8.09 H new ATOM 0 HG3 MET A 3 -21.081 -2.721 5.320 1.00 8.09 H new ATOM 0 HE1 MET A 3 -23.199 -4.756 2.731 1.00 9.31 H new ATOM 0 HE2 MET A 3 -23.474 -4.601 4.483 1.00 9.31 H new ATOM 0 HE3 MET A 3 -22.958 -3.186 3.534 1.00 9.31 H new ATOM 37 N GLY A 4 -17.094 -6.274 7.426 1.00 5.55 N ATOM 38 CA GLY A 4 -15.699 -6.466 7.754 1.00 5.17 C ATOM 39 C GLY A 4 -15.072 -7.528 6.880 1.00 4.35 C ATOM 40 O GLY A 4 -13.851 -7.650 6.807 1.00 4.64 O ATOM 0 H GLY A 4 -17.741 -6.882 7.928 1.00 5.55 H new ATOM 0 HA2 GLY A 4 -15.161 -5.526 7.631 1.00 5.17 H new ATOM 0 HA3 GLY A 4 -15.605 -6.752 8.802 1.00 5.17 H new ATOM 44 N MET A 5 -15.922 -8.301 6.217 1.00 3.80 N ATOM 45 CA MET A 5 -15.469 -9.349 5.310 1.00 3.46 C ATOM 46 C MET A 5 -16.357 -9.377 4.070 1.00 2.69 C ATOM 47 O MET A 5 -16.488 -10.402 3.402 1.00 3.15 O ATOM 48 CB MET A 5 -15.492 -10.716 6.009 1.00 4.10 C ATOM 49 CG MET A 5 -16.886 -11.173 6.418 1.00 4.56 C ATOM 50 SD MET A 5 -16.885 -12.793 7.208 1.00 5.55 S ATOM 51 CE MET A 5 -18.639 -13.025 7.480 1.00 6.19 C ATOM 0 H MET A 5 -16.936 -8.221 6.291 1.00 3.80 H new ATOM 0 HA MET A 5 -14.443 -9.134 5.011 1.00 3.46 H new ATOM 0 HB2 MET A 5 -15.056 -11.461 5.344 1.00 4.10 H new ATOM 0 HB3 MET A 5 -14.860 -10.671 6.896 1.00 4.10 H new ATOM 0 HG2 MET A 5 -17.318 -10.441 7.101 1.00 4.56 H new ATOM 0 HG3 MET A 5 -17.527 -11.204 5.537 1.00 4.56 H new ATOM 0 HE1 MET A 5 -18.808 -13.987 7.964 1.00 6.19 H new ATOM 0 HE2 MET A 5 -19.017 -12.226 8.118 1.00 6.19 H new ATOM 0 HE3 MET A 5 -19.161 -13.004 6.524 1.00 6.19 H new ATOM 61 N SER A 6 -16.964 -8.236 3.777 1.00 2.04 N ATOM 62 CA SER A 6 -17.889 -8.113 2.661 1.00 1.62 C ATOM 63 C SER A 6 -17.179 -8.331 1.323 1.00 1.22 C ATOM 64 O SER A 6 -16.276 -7.575 0.957 1.00 1.33 O ATOM 65 CB SER A 6 -18.537 -6.731 2.705 1.00 2.15 C ATOM 66 OG SER A 6 -17.611 -5.756 3.151 1.00 2.78 O ATOM 0 H SER A 6 -16.830 -7.373 4.304 1.00 2.04 H new ATOM 0 HA SER A 6 -18.656 -8.883 2.750 1.00 1.62 H new ATOM 0 HB2 SER A 6 -18.904 -6.464 1.714 1.00 2.15 H new ATOM 0 HB3 SER A 6 -19.401 -6.750 3.370 1.00 2.15 H new ATOM 0 HG SER A 6 -18.050 -4.880 3.186 1.00 2.78 H new ATOM 72 N PRO A 7 -17.577 -9.379 0.575 1.00 1.00 N ATOM 73 CA PRO A 7 -16.955 -9.710 -0.707 1.00 0.92 C ATOM 74 C PRO A 7 -17.127 -8.599 -1.734 1.00 0.83 C ATOM 75 O PRO A 7 -16.246 -8.369 -2.556 1.00 0.81 O ATOM 76 CB PRO A 7 -17.682 -10.979 -1.164 1.00 1.15 C ATOM 77 CG PRO A 7 -18.947 -11.013 -0.377 1.00 1.35 C ATOM 78 CD PRO A 7 -18.654 -10.322 0.924 1.00 1.22 C ATOM 0 HA PRO A 7 -15.878 -9.846 -0.605 1.00 0.92 H new ATOM 0 HB2 PRO A 7 -17.885 -10.952 -2.234 1.00 1.15 H new ATOM 0 HB3 PRO A 7 -17.078 -11.867 -0.977 1.00 1.15 H new ATOM 0 HG2 PRO A 7 -19.751 -10.509 -0.912 1.00 1.35 H new ATOM 0 HG3 PRO A 7 -19.272 -12.040 -0.207 1.00 1.35 H new ATOM 0 HD2 PRO A 7 -19.532 -9.804 1.310 1.00 1.22 H new ATOM 0 HD3 PRO A 7 -18.337 -11.028 1.691 1.00 1.22 H new ATOM 86 N ASP A 8 -18.264 -7.915 -1.680 1.00 0.81 N ATOM 87 CA ASP A 8 -18.530 -6.791 -2.575 1.00 0.80 C ATOM 88 C ASP A 8 -17.529 -5.671 -2.332 1.00 0.67 C ATOM 89 O ASP A 8 -16.870 -5.201 -3.261 1.00 0.67 O ATOM 90 CB ASP A 8 -19.952 -6.256 -2.370 1.00 0.91 C ATOM 91 CG ASP A 8 -21.024 -7.264 -2.733 1.00 1.50 C ATOM 92 OD1 ASP A 8 -21.234 -8.219 -1.960 1.00 2.18 O ATOM 93 OD2 ASP A 8 -21.651 -7.115 -3.805 1.00 2.05 O ATOM 0 H ASP A 8 -19.019 -8.118 -1.025 1.00 0.81 H new ATOM 0 HA ASP A 8 -18.431 -7.148 -3.600 1.00 0.80 H new ATOM 0 HB2 ASP A 8 -20.076 -5.962 -1.328 1.00 0.91 H new ATOM 0 HB3 ASP A 8 -20.087 -5.358 -2.973 1.00 0.91 H new ATOM 98 N THR A 9 -17.416 -5.260 -1.077 1.00 0.62 N ATOM 99 CA THR A 9 -16.503 -4.200 -0.685 1.00 0.58 C ATOM 100 C THR A 9 -15.058 -4.592 -0.985 1.00 0.49 C ATOM 101 O THR A 9 -14.307 -3.829 -1.598 1.00 0.46 O ATOM 102 CB THR A 9 -16.649 -3.894 0.819 1.00 0.64 C ATOM 103 OG1 THR A 9 -18.027 -3.648 1.138 1.00 0.74 O ATOM 104 CG2 THR A 9 -15.808 -2.692 1.215 1.00 0.72 C ATOM 0 H THR A 9 -17.954 -5.652 -0.304 1.00 0.62 H new ATOM 0 HA THR A 9 -16.755 -3.309 -1.261 1.00 0.58 H new ATOM 0 HB THR A 9 -16.295 -4.760 1.378 1.00 0.64 H new ATOM 0 HG1 THR A 9 -18.085 -3.164 1.988 1.00 0.74 H new ATOM 0 HG21 THR A 9 -15.930 -2.498 2.281 1.00 0.72 H new ATOM 0 HG22 THR A 9 -14.759 -2.895 1.000 1.00 0.72 H new ATOM 0 HG23 THR A 9 -16.132 -1.819 0.648 1.00 0.72 H new ATOM 112 N ALA A 10 -14.688 -5.801 -0.574 1.00 0.51 N ATOM 113 CA ALA A 10 -13.330 -6.293 -0.755 1.00 0.50 C ATOM 114 C ALA A 10 -12.953 -6.371 -2.231 1.00 0.48 C ATOM 115 O ALA A 10 -11.826 -6.046 -2.607 1.00 0.45 O ATOM 116 CB ALA A 10 -13.173 -7.652 -0.095 1.00 0.60 C ATOM 0 H ALA A 10 -15.315 -6.460 -0.111 1.00 0.51 H new ATOM 0 HA ALA A 10 -12.652 -5.585 -0.279 1.00 0.50 H new ATOM 0 HB1 ALA A 10 -12.153 -8.010 -0.237 1.00 0.60 H new ATOM 0 HB2 ALA A 10 -13.382 -7.565 0.971 1.00 0.60 H new ATOM 0 HB3 ALA A 10 -13.871 -8.358 -0.545 1.00 0.60 H new ATOM 122 N ARG A 11 -13.899 -6.797 -3.064 1.00 0.54 N ATOM 123 CA ARG A 11 -13.653 -6.929 -4.495 1.00 0.59 C ATOM 124 C ARG A 11 -13.426 -5.565 -5.132 1.00 0.52 C ATOM 125 O ARG A 11 -12.510 -5.388 -5.934 1.00 0.52 O ATOM 126 CB ARG A 11 -14.817 -7.644 -5.195 1.00 0.74 C ATOM 127 CG ARG A 11 -14.617 -7.787 -6.698 1.00 1.02 C ATOM 128 CD ARG A 11 -15.802 -8.461 -7.374 1.00 1.21 C ATOM 129 NE ARG A 11 -15.615 -8.552 -8.821 1.00 1.97 N ATOM 130 CZ ARG A 11 -16.566 -8.911 -9.683 1.00 2.53 C ATOM 131 NH1 ARG A 11 -17.783 -9.221 -9.253 1.00 2.44 N ATOM 132 NH2 ARG A 11 -16.295 -8.953 -10.981 1.00 3.56 N ATOM 0 H ARG A 11 -14.841 -7.056 -2.772 1.00 0.54 H new ATOM 0 HA ARG A 11 -12.753 -7.531 -4.619 1.00 0.59 H new ATOM 0 HB2 ARG A 11 -14.944 -8.634 -4.756 1.00 0.74 H new ATOM 0 HB3 ARG A 11 -15.738 -7.092 -5.009 1.00 0.74 H new ATOM 0 HG2 ARG A 11 -14.462 -6.802 -7.138 1.00 1.02 H new ATOM 0 HG3 ARG A 11 -13.714 -8.367 -6.889 1.00 1.02 H new ATOM 0 HD2 ARG A 11 -15.938 -9.460 -6.960 1.00 1.21 H new ATOM 0 HD3 ARG A 11 -16.712 -7.901 -7.159 1.00 1.21 H new ATOM 0 HE ARG A 11 -14.694 -8.325 -9.196 1.00 1.97 H new ATOM 0 HH11 ARG A 11 -17.996 -9.185 -8.256 1.00 2.44 H new ATOM 0 HH12 ARG A 11 -18.505 -9.495 -9.919 1.00 2.44 H new ATOM 0 HH21 ARG A 11 -15.362 -8.711 -11.315 1.00 3.56 H new ATOM 0 HH22 ARG A 11 -17.019 -9.227 -11.645 1.00 3.56 H new ATOM 146 N ARG A 12 -14.255 -4.595 -4.763 1.00 0.51 N ATOM 147 CA ARG A 12 -14.157 -3.255 -5.328 1.00 0.51 C ATOM 148 C ARG A 12 -12.836 -2.597 -4.941 1.00 0.42 C ATOM 149 O ARG A 12 -12.239 -1.869 -5.735 1.00 0.41 O ATOM 150 CB ARG A 12 -15.337 -2.390 -4.880 1.00 0.57 C ATOM 151 CG ARG A 12 -16.679 -2.896 -5.387 1.00 1.31 C ATOM 152 CD ARG A 12 -17.818 -1.951 -5.034 1.00 1.38 C ATOM 153 NE ARG A 12 -19.121 -2.529 -5.366 1.00 2.05 N ATOM 154 CZ ARG A 12 -20.266 -1.850 -5.355 1.00 2.50 C ATOM 155 NH1 ARG A 12 -20.268 -0.547 -5.104 1.00 2.39 N ATOM 156 NH2 ARG A 12 -21.409 -2.472 -5.613 1.00 3.49 N ATOM 0 H ARG A 12 -15.001 -4.711 -4.077 1.00 0.51 H new ATOM 0 HA ARG A 12 -14.189 -3.345 -6.414 1.00 0.51 H new ATOM 0 HB2 ARG A 12 -15.358 -2.352 -3.791 1.00 0.57 H new ATOM 0 HB3 ARG A 12 -15.185 -1.369 -5.231 1.00 0.57 H new ATOM 0 HG2 ARG A 12 -16.634 -3.020 -6.469 1.00 1.31 H new ATOM 0 HG3 ARG A 12 -16.879 -3.879 -4.961 1.00 1.31 H new ATOM 0 HD2 ARG A 12 -17.783 -1.720 -3.969 1.00 1.38 H new ATOM 0 HD3 ARG A 12 -17.690 -1.010 -5.569 1.00 1.38 H new ATOM 0 HE ARG A 12 -19.154 -3.516 -5.622 1.00 2.05 H new ATOM 0 HH11 ARG A 12 -19.390 -0.062 -4.919 1.00 2.39 H new ATOM 0 HH12 ARG A 12 -21.147 -0.030 -5.097 1.00 2.39 H new ATOM 0 HH21 ARG A 12 -21.411 -3.471 -5.820 1.00 3.49 H new ATOM 0 HH22 ARG A 12 -22.286 -1.951 -5.604 1.00 3.49 H new ATOM 170 N PHE A 13 -12.374 -2.871 -3.728 1.00 0.40 N ATOM 171 CA PHE A 13 -11.097 -2.344 -3.269 1.00 0.37 C ATOM 172 C PHE A 13 -9.956 -2.974 -4.059 1.00 0.33 C ATOM 173 O PHE A 13 -9.066 -2.277 -4.547 1.00 0.33 O ATOM 174 CB PHE A 13 -10.910 -2.605 -1.769 1.00 0.41 C ATOM 175 CG PHE A 13 -9.683 -1.956 -1.186 1.00 0.41 C ATOM 176 CD1 PHE A 13 -9.671 -0.601 -0.886 1.00 0.43 C ATOM 177 CD2 PHE A 13 -8.543 -2.701 -0.934 1.00 0.46 C ATOM 178 CE1 PHE A 13 -8.546 -0.006 -0.347 1.00 0.48 C ATOM 179 CE2 PHE A 13 -7.415 -2.112 -0.397 1.00 0.51 C ATOM 180 CZ PHE A 13 -7.416 -0.762 -0.102 1.00 0.50 C ATOM 0 H PHE A 13 -12.862 -3.453 -3.047 1.00 0.40 H new ATOM 0 HA PHE A 13 -11.089 -1.266 -3.433 1.00 0.37 H new ATOM 0 HB2 PHE A 13 -11.789 -2.244 -1.235 1.00 0.41 H new ATOM 0 HB3 PHE A 13 -10.855 -3.681 -1.601 1.00 0.41 H new ATOM 0 HD1 PHE A 13 -10.551 -0.005 -1.076 1.00 0.43 H new ATOM 0 HD2 PHE A 13 -8.536 -3.757 -1.160 1.00 0.46 H new ATOM 0 HE1 PHE A 13 -8.550 1.049 -0.117 1.00 0.48 H new ATOM 0 HE2 PHE A 13 -6.533 -2.706 -0.208 1.00 0.51 H new ATOM 0 HZ PHE A 13 -6.536 -0.299 0.319 1.00 0.50 H new ATOM 190 N ASP A 14 -10.006 -4.294 -4.196 1.00 0.35 N ATOM 191 CA ASP A 14 -8.977 -5.047 -4.910 1.00 0.37 C ATOM 192 C ASP A 14 -8.900 -4.651 -6.382 1.00 0.34 C ATOM 193 O ASP A 14 -7.819 -4.611 -6.963 1.00 0.37 O ATOM 194 CB ASP A 14 -9.248 -6.550 -4.786 1.00 0.47 C ATOM 195 CG ASP A 14 -8.419 -7.385 -5.746 1.00 0.58 C ATOM 196 OD1 ASP A 14 -7.210 -7.568 -5.487 1.00 0.87 O ATOM 197 OD2 ASP A 14 -8.964 -7.860 -6.764 1.00 0.65 O ATOM 0 H ASP A 14 -10.757 -4.872 -3.818 1.00 0.35 H new ATOM 0 HA ASP A 14 -8.016 -4.809 -4.453 1.00 0.37 H new ATOM 0 HB2 ASP A 14 -9.040 -6.868 -3.764 1.00 0.47 H new ATOM 0 HB3 ASP A 14 -10.306 -6.739 -4.969 1.00 0.47 H new ATOM 202 N THR A 15 -10.040 -4.343 -6.976 1.00 0.33 N ATOM 203 CA THR A 15 -10.098 -4.080 -8.405 1.00 0.34 C ATOM 204 C THR A 15 -9.797 -2.620 -8.752 1.00 0.33 C ATOM 205 O THR A 15 -8.995 -2.346 -9.646 1.00 0.37 O ATOM 206 CB THR A 15 -11.468 -4.475 -8.982 1.00 0.39 C ATOM 207 OG1 THR A 15 -12.518 -3.937 -8.169 1.00 1.51 O ATOM 208 CG2 THR A 15 -11.609 -5.986 -9.064 1.00 1.34 C ATOM 0 H THR A 15 -10.936 -4.269 -6.494 1.00 0.33 H new ATOM 0 HA THR A 15 -9.320 -4.694 -8.858 1.00 0.34 H new ATOM 0 HB THR A 15 -11.542 -4.065 -9.989 1.00 0.39 H new ATOM 0 HG1 THR A 15 -12.662 -4.519 -7.394 1.00 1.51 H new ATOM 0 HG21 THR A 15 -12.586 -6.238 -9.475 1.00 1.34 H new ATOM 0 HG22 THR A 15 -10.829 -6.390 -9.709 1.00 1.34 H new ATOM 0 HG23 THR A 15 -11.513 -6.415 -8.067 1.00 1.34 H new ATOM 216 N GLU A 16 -10.422 -1.682 -8.051 1.00 0.33 N ATOM 217 CA GLU A 16 -10.318 -0.277 -8.432 1.00 0.39 C ATOM 218 C GLU A 16 -9.257 0.469 -7.625 1.00 0.37 C ATOM 219 O GLU A 16 -8.438 1.200 -8.186 1.00 0.46 O ATOM 220 CB GLU A 16 -11.674 0.416 -8.276 1.00 0.48 C ATOM 221 CG GLU A 16 -11.678 1.861 -8.751 1.00 0.60 C ATOM 222 CD GLU A 16 -11.277 2.001 -10.208 1.00 1.15 C ATOM 223 OE1 GLU A 16 -12.070 1.608 -11.091 1.00 1.27 O ATOM 224 OE2 GLU A 16 -10.165 2.501 -10.480 1.00 1.81 O ATOM 0 H GLU A 16 -10.998 -1.863 -7.229 1.00 0.33 H new ATOM 0 HA GLU A 16 -10.010 -0.252 -9.477 1.00 0.39 H new ATOM 0 HB2 GLU A 16 -12.425 -0.143 -8.834 1.00 0.48 H new ATOM 0 HB3 GLU A 16 -11.969 0.386 -7.227 1.00 0.48 H new ATOM 0 HG2 GLU A 16 -12.673 2.282 -8.611 1.00 0.60 H new ATOM 0 HG3 GLU A 16 -10.995 2.444 -8.133 1.00 0.60 H new ATOM 231 N PHE A 17 -9.250 0.262 -6.317 1.00 0.31 N ATOM 232 CA PHE A 17 -8.462 1.105 -5.425 1.00 0.32 C ATOM 233 C PHE A 17 -7.032 0.600 -5.263 1.00 0.30 C ATOM 234 O PHE A 17 -6.081 1.362 -5.427 1.00 0.33 O ATOM 235 CB PHE A 17 -9.142 1.212 -4.056 1.00 0.37 C ATOM 236 CG PHE A 17 -10.497 1.873 -4.099 1.00 0.42 C ATOM 237 CD1 PHE A 17 -11.622 1.155 -4.472 1.00 0.43 C ATOM 238 CD2 PHE A 17 -10.647 3.215 -3.769 1.00 0.64 C ATOM 239 CE1 PHE A 17 -12.866 1.757 -4.516 1.00 0.48 C ATOM 240 CE2 PHE A 17 -11.888 3.821 -3.813 1.00 0.72 C ATOM 241 CZ PHE A 17 -12.997 3.096 -4.169 1.00 0.57 C ATOM 0 H PHE A 17 -9.776 -0.476 -5.850 1.00 0.31 H new ATOM 0 HA PHE A 17 -8.407 2.093 -5.882 1.00 0.32 H new ATOM 0 HB2 PHE A 17 -9.249 0.212 -3.635 1.00 0.37 H new ATOM 0 HB3 PHE A 17 -8.495 1.774 -3.382 1.00 0.37 H new ATOM 0 HD1 PHE A 17 -11.526 0.111 -4.732 1.00 0.43 H new ATOM 0 HD2 PHE A 17 -9.782 3.791 -3.474 1.00 0.64 H new ATOM 0 HE1 PHE A 17 -13.733 1.188 -4.819 1.00 0.48 H new ATOM 0 HE2 PHE A 17 -11.985 4.868 -3.567 1.00 0.72 H new ATOM 0 HZ PHE A 17 -13.970 3.565 -4.179 1.00 0.57 H new ATOM 251 N ALA A 18 -6.882 -0.680 -4.951 1.00 0.29 N ATOM 252 CA ALA A 18 -5.566 -1.251 -4.680 1.00 0.30 C ATOM 253 C ALA A 18 -4.594 -1.087 -5.859 1.00 0.29 C ATOM 254 O ALA A 18 -3.473 -0.624 -5.656 1.00 0.30 O ATOM 255 CB ALA A 18 -5.684 -2.709 -4.259 1.00 0.32 C ATOM 0 H ALA A 18 -7.653 -1.344 -4.879 1.00 0.29 H new ATOM 0 HA ALA A 18 -5.141 -0.686 -3.850 1.00 0.30 H new ATOM 0 HB1 ALA A 18 -4.691 -3.113 -4.063 1.00 0.32 H new ATOM 0 HB2 ALA A 18 -6.289 -2.779 -3.355 1.00 0.32 H new ATOM 0 HB3 ALA A 18 -6.157 -3.281 -5.057 1.00 0.32 H new ATOM 261 N PRO A 19 -4.983 -1.443 -7.111 1.00 0.30 N ATOM 262 CA PRO A 19 -4.105 -1.270 -8.279 1.00 0.32 C ATOM 263 C PRO A 19 -3.820 0.201 -8.567 1.00 0.31 C ATOM 264 O PRO A 19 -2.841 0.541 -9.233 1.00 0.32 O ATOM 265 CB PRO A 19 -4.895 -1.896 -9.437 1.00 0.37 C ATOM 266 CG PRO A 19 -5.917 -2.750 -8.779 1.00 0.35 C ATOM 267 CD PRO A 19 -6.268 -2.043 -7.504 1.00 0.31 C ATOM 0 HA PRO A 19 -3.131 -1.732 -8.122 1.00 0.32 H new ATOM 0 HB2 PRO A 19 -5.359 -1.131 -10.059 1.00 0.37 H new ATOM 0 HB3 PRO A 19 -4.246 -2.484 -10.086 1.00 0.37 H new ATOM 0 HG2 PRO A 19 -6.794 -2.873 -9.414 1.00 0.35 H new ATOM 0 HG3 PRO A 19 -5.526 -3.748 -8.580 1.00 0.35 H new ATOM 0 HD2 PRO A 19 -7.039 -1.288 -7.657 1.00 0.31 H new ATOM 0 HD3 PRO A 19 -6.643 -2.732 -6.747 1.00 0.31 H new ATOM 275 N ARG A 20 -4.681 1.070 -8.057 1.00 0.32 N ATOM 276 CA ARG A 20 -4.518 2.501 -8.239 1.00 0.35 C ATOM 277 C ARG A 20 -3.400 3.004 -7.335 1.00 0.30 C ATOM 278 O ARG A 20 -2.528 3.756 -7.766 1.00 0.31 O ATOM 279 CB ARG A 20 -5.825 3.230 -7.919 1.00 0.43 C ATOM 280 CG ARG A 20 -5.821 4.702 -8.300 1.00 1.07 C ATOM 281 CD ARG A 20 -5.858 4.887 -9.806 1.00 1.40 C ATOM 282 NE ARG A 20 -7.051 4.281 -10.398 1.00 1.95 N ATOM 283 CZ ARG A 20 -7.265 4.179 -11.708 1.00 2.73 C ATOM 284 NH1 ARG A 20 -6.365 4.640 -12.570 1.00 3.15 N ATOM 285 NH2 ARG A 20 -8.379 3.614 -12.156 1.00 3.58 N ATOM 0 H ARG A 20 -5.502 0.805 -7.512 1.00 0.32 H new ATOM 0 HA ARG A 20 -4.258 2.702 -9.278 1.00 0.35 H new ATOM 0 HB2 ARG A 20 -6.643 2.733 -8.440 1.00 0.43 H new ATOM 0 HB3 ARG A 20 -6.026 3.142 -6.851 1.00 0.43 H new ATOM 0 HG2 ARG A 20 -6.681 5.198 -7.850 1.00 1.07 H new ATOM 0 HG3 ARG A 20 -4.930 5.181 -7.895 1.00 1.07 H new ATOM 0 HD2 ARG A 20 -5.835 5.951 -10.042 1.00 1.40 H new ATOM 0 HD3 ARG A 20 -4.967 4.443 -10.249 1.00 1.40 H new ATOM 0 HE ARG A 20 -7.763 3.914 -9.767 1.00 1.95 H new ATOM 0 HH11 ARG A 20 -5.507 5.074 -12.229 1.00 3.15 H new ATOM 0 HH12 ARG A 20 -6.532 4.560 -13.573 1.00 3.15 H new ATOM 0 HH21 ARG A 20 -9.071 3.258 -11.497 1.00 3.58 H new ATOM 0 HH22 ARG A 20 -8.543 3.536 -13.160 1.00 3.58 H new ATOM 299 N ILE A 21 -3.426 2.559 -6.082 1.00 0.28 N ATOM 300 CA ILE A 21 -2.401 2.926 -5.116 1.00 0.28 C ATOM 301 C ILE A 21 -1.069 2.300 -5.507 1.00 0.24 C ATOM 302 O ILE A 21 -0.026 2.950 -5.469 1.00 0.25 O ATOM 303 CB ILE A 21 -2.764 2.457 -3.686 1.00 0.31 C ATOM 304 CG1 ILE A 21 -4.151 2.969 -3.286 1.00 0.35 C ATOM 305 CG2 ILE A 21 -1.717 2.938 -2.688 1.00 0.33 C ATOM 306 CD1 ILE A 21 -4.645 2.428 -1.956 1.00 0.38 C ATOM 0 H ILE A 21 -4.149 1.942 -5.713 1.00 0.28 H new ATOM 0 HA ILE A 21 -2.329 4.014 -5.120 1.00 0.28 H new ATOM 0 HB ILE A 21 -2.782 1.367 -3.677 1.00 0.31 H new ATOM 0 HG12 ILE A 21 -4.126 4.058 -3.238 1.00 0.35 H new ATOM 0 HG13 ILE A 21 -4.865 2.701 -4.064 1.00 0.35 H new ATOM 0 HG21 ILE A 21 -1.986 2.600 -1.687 1.00 0.33 H new ATOM 0 HG22 ILE A 21 -0.743 2.531 -2.958 1.00 0.33 H new ATOM 0 HG23 ILE A 21 -1.672 4.027 -2.704 1.00 0.33 H new ATOM 0 HD11 ILE A 21 -5.633 2.836 -1.742 1.00 0.38 H new ATOM 0 HD12 ILE A 21 -4.704 1.341 -2.005 1.00 0.38 H new ATOM 0 HD13 ILE A 21 -3.953 2.719 -1.165 1.00 0.38 H new ATOM 318 N ALA A 22 -1.129 1.034 -5.898 1.00 0.23 N ATOM 319 CA ALA A 22 0.054 0.272 -6.262 1.00 0.23 C ATOM 320 C ALA A 22 0.839 0.946 -7.379 1.00 0.24 C ATOM 321 O ALA A 22 2.054 1.118 -7.277 1.00 0.28 O ATOM 322 CB ALA A 22 -0.346 -1.133 -6.679 1.00 0.25 C ATOM 0 H ALA A 22 -2.000 0.508 -5.971 1.00 0.23 H new ATOM 0 HA ALA A 22 0.702 0.223 -5.387 1.00 0.23 H new ATOM 0 HB1 ALA A 22 0.545 -1.699 -6.951 1.00 0.25 H new ATOM 0 HB2 ALA A 22 -0.852 -1.628 -5.850 1.00 0.25 H new ATOM 0 HB3 ALA A 22 -1.018 -1.081 -7.536 1.00 0.25 H new ATOM 328 N ARG A 23 0.141 1.327 -8.440 1.00 0.27 N ATOM 329 CA ARG A 23 0.783 1.960 -9.581 1.00 0.34 C ATOM 330 C ARG A 23 1.238 3.373 -9.247 1.00 0.30 C ATOM 331 O ARG A 23 2.256 3.830 -9.755 1.00 0.31 O ATOM 332 CB ARG A 23 -0.151 1.971 -10.789 1.00 0.47 C ATOM 333 CG ARG A 23 -0.355 0.596 -11.398 1.00 1.16 C ATOM 334 CD ARG A 23 -1.323 0.642 -12.565 1.00 1.33 C ATOM 335 NE ARG A 23 -2.688 0.956 -12.141 1.00 1.85 N ATOM 336 CZ ARG A 23 -3.612 1.477 -12.946 1.00 2.38 C ATOM 337 NH1 ARG A 23 -3.299 1.801 -14.194 1.00 2.41 N ATOM 338 NH2 ARG A 23 -4.850 1.677 -12.507 1.00 3.36 N ATOM 0 H ARG A 23 -0.868 1.209 -8.533 1.00 0.27 H new ATOM 0 HA ARG A 23 1.667 1.373 -9.831 1.00 0.34 H new ATOM 0 HB2 ARG A 23 -1.118 2.376 -10.489 1.00 0.47 H new ATOM 0 HB3 ARG A 23 0.254 2.641 -11.547 1.00 0.47 H new ATOM 0 HG2 ARG A 23 0.603 0.200 -11.734 1.00 1.16 H new ATOM 0 HG3 ARG A 23 -0.733 -0.087 -10.637 1.00 1.16 H new ATOM 0 HD2 ARG A 23 -0.987 1.389 -13.284 1.00 1.33 H new ATOM 0 HD3 ARG A 23 -1.316 -0.320 -13.078 1.00 1.33 H new ATOM 0 HE ARG A 23 -2.947 0.765 -11.173 1.00 1.85 H new ATOM 0 HH11 ARG A 23 -2.350 1.651 -14.537 1.00 2.41 H new ATOM 0 HH12 ARG A 23 -4.007 2.200 -14.810 1.00 2.41 H new ATOM 0 HH21 ARG A 23 -5.097 1.431 -11.548 1.00 3.36 H new ATOM 0 HH22 ARG A 23 -5.553 2.076 -13.129 1.00 3.36 H new ATOM 352 N ALA A 24 0.493 4.058 -8.387 1.00 0.29 N ATOM 353 CA ALA A 24 0.864 5.403 -7.968 1.00 0.31 C ATOM 354 C ALA A 24 2.197 5.383 -7.231 1.00 0.29 C ATOM 355 O ALA A 24 3.076 6.208 -7.486 1.00 0.31 O ATOM 356 CB ALA A 24 -0.218 6.004 -7.085 1.00 0.35 C ATOM 0 H ALA A 24 -0.368 3.706 -7.968 1.00 0.29 H new ATOM 0 HA ALA A 24 0.969 6.023 -8.858 1.00 0.31 H new ATOM 0 HB1 ALA A 24 0.076 7.009 -6.782 1.00 0.35 H new ATOM 0 HB2 ALA A 24 -1.155 6.052 -7.640 1.00 0.35 H new ATOM 0 HB3 ALA A 24 -0.352 5.382 -6.200 1.00 0.35 H new ATOM 362 N ILE A 25 2.338 4.426 -6.324 1.00 0.27 N ATOM 363 CA ILE A 25 3.562 4.265 -5.556 1.00 0.30 C ATOM 364 C ILE A 25 4.724 3.856 -6.460 1.00 0.30 C ATOM 365 O ILE A 25 5.804 4.443 -6.400 1.00 0.33 O ATOM 366 CB ILE A 25 3.384 3.214 -4.439 1.00 0.33 C ATOM 367 CG1 ILE A 25 2.299 3.663 -3.452 1.00 0.36 C ATOM 368 CG2 ILE A 25 4.700 2.976 -3.712 1.00 0.39 C ATOM 369 CD1 ILE A 25 2.032 2.662 -2.348 1.00 1.05 C ATOM 0 H ILE A 25 1.612 3.745 -6.102 1.00 0.27 H new ATOM 0 HA ILE A 25 3.788 5.229 -5.100 1.00 0.30 H new ATOM 0 HB ILE A 25 3.071 2.275 -4.896 1.00 0.33 H new ATOM 0 HG12 ILE A 25 2.596 4.612 -3.006 1.00 0.36 H new ATOM 0 HG13 ILE A 25 1.374 3.843 -3.999 1.00 0.36 H new ATOM 0 HG21 ILE A 25 4.554 2.232 -2.929 1.00 0.39 H new ATOM 0 HG22 ILE A 25 5.447 2.616 -4.420 1.00 0.39 H new ATOM 0 HG23 ILE A 25 5.043 3.910 -3.266 1.00 0.39 H new ATOM 0 HD11 ILE A 25 1.254 3.047 -1.689 1.00 1.05 H new ATOM 0 HD12 ILE A 25 1.704 1.718 -2.784 1.00 1.05 H new ATOM 0 HD13 ILE A 25 2.945 2.500 -1.775 1.00 1.05 H new ATOM 381 N ALA A 26 4.485 2.862 -7.309 1.00 0.31 N ATOM 382 CA ALA A 26 5.513 2.361 -8.215 1.00 0.36 C ATOM 383 C ALA A 26 5.986 3.457 -9.164 1.00 0.38 C ATOM 384 O ALA A 26 7.179 3.579 -9.448 1.00 0.40 O ATOM 385 CB ALA A 26 4.985 1.172 -8.998 1.00 0.42 C ATOM 0 H ALA A 26 3.586 2.386 -7.389 1.00 0.31 H new ATOM 0 HA ALA A 26 6.368 2.040 -7.620 1.00 0.36 H new ATOM 0 HB1 ALA A 26 5.760 0.806 -9.671 1.00 0.42 H new ATOM 0 HB2 ALA A 26 4.700 0.379 -8.307 1.00 0.42 H new ATOM 0 HB3 ALA A 26 4.114 1.477 -9.579 1.00 0.42 H new ATOM 391 N ASP A 27 5.040 4.258 -9.634 1.00 0.40 N ATOM 392 CA ASP A 27 5.331 5.362 -10.539 1.00 0.47 C ATOM 393 C ASP A 27 6.125 6.444 -9.820 1.00 0.45 C ATOM 394 O ASP A 27 7.050 7.031 -10.380 1.00 0.48 O ATOM 395 CB ASP A 27 4.023 5.944 -11.084 1.00 0.56 C ATOM 396 CG ASP A 27 4.237 7.115 -12.018 1.00 0.72 C ATOM 397 OD1 ASP A 27 4.464 6.886 -13.223 1.00 0.86 O ATOM 398 OD2 ASP A 27 4.208 8.270 -11.547 1.00 0.80 O ATOM 0 H ASP A 27 4.052 4.162 -9.400 1.00 0.40 H new ATOM 0 HA ASP A 27 5.930 4.987 -11.369 1.00 0.47 H new ATOM 0 HB2 ASP A 27 3.476 5.162 -11.611 1.00 0.56 H new ATOM 0 HB3 ASP A 27 3.398 6.262 -10.249 1.00 0.56 H new ATOM 403 N LEU A 28 5.778 6.673 -8.559 1.00 0.42 N ATOM 404 CA LEU A 28 6.436 7.686 -7.750 1.00 0.46 C ATOM 405 C LEU A 28 7.889 7.304 -7.496 1.00 0.44 C ATOM 406 O LEU A 28 8.771 8.161 -7.481 1.00 0.49 O ATOM 407 CB LEU A 28 5.695 7.860 -6.418 1.00 0.49 C ATOM 408 CG LEU A 28 6.298 8.882 -5.448 1.00 0.90 C ATOM 409 CD1 LEU A 28 6.258 10.282 -6.043 1.00 1.69 C ATOM 410 CD2 LEU A 28 5.560 8.847 -4.116 1.00 1.44 C ATOM 0 H LEU A 28 5.038 6.165 -8.074 1.00 0.42 H new ATOM 0 HA LEU A 28 6.416 8.631 -8.292 1.00 0.46 H new ATOM 0 HB2 LEU A 28 4.667 8.152 -6.631 1.00 0.49 H new ATOM 0 HB3 LEU A 28 5.654 6.893 -5.918 1.00 0.49 H new ATOM 0 HG LEU A 28 7.341 8.616 -5.276 1.00 0.90 H new ATOM 0 HD11 LEU A 28 6.691 10.990 -5.337 1.00 1.69 H new ATOM 0 HD12 LEU A 28 6.830 10.299 -6.971 1.00 1.69 H new ATOM 0 HD13 LEU A 28 5.224 10.561 -6.248 1.00 1.69 H new ATOM 0 HD21 LEU A 28 5.999 9.578 -3.437 1.00 1.44 H new ATOM 0 HD22 LEU A 28 4.509 9.086 -4.276 1.00 1.44 H new ATOM 0 HD23 LEU A 28 5.643 7.851 -3.680 1.00 1.44 H new ATOM 422 N LEU A 29 8.132 6.010 -7.332 1.00 0.40 N ATOM 423 CA LEU A 29 9.468 5.509 -7.031 1.00 0.41 C ATOM 424 C LEU A 29 10.256 5.237 -8.307 1.00 0.44 C ATOM 425 O LEU A 29 11.343 4.667 -8.259 1.00 0.48 O ATOM 426 CB LEU A 29 9.372 4.216 -6.217 1.00 0.38 C ATOM 427 CG LEU A 29 8.582 4.312 -4.915 1.00 0.39 C ATOM 428 CD1 LEU A 29 8.435 2.936 -4.286 1.00 0.41 C ATOM 429 CD2 LEU A 29 9.253 5.270 -3.944 1.00 0.49 C ATOM 0 H LEU A 29 7.418 5.285 -7.403 1.00 0.40 H new ATOM 0 HA LEU A 29 9.988 6.274 -6.455 1.00 0.41 H new ATOM 0 HB2 LEU A 29 8.916 3.448 -6.842 1.00 0.38 H new ATOM 0 HB3 LEU A 29 10.382 3.879 -5.984 1.00 0.38 H new ATOM 0 HG LEU A 29 7.590 4.701 -5.144 1.00 0.39 H new ATOM 0 HD11 LEU A 29 7.870 3.019 -3.358 1.00 0.41 H new ATOM 0 HD12 LEU A 29 7.908 2.276 -4.975 1.00 0.41 H new ATOM 0 HD13 LEU A 29 9.422 2.526 -4.074 1.00 0.41 H new ATOM 0 HD21 LEU A 29 8.671 5.322 -3.024 1.00 0.49 H new ATOM 0 HD22 LEU A 29 10.258 4.915 -3.719 1.00 0.49 H new ATOM 0 HD23 LEU A 29 9.311 6.262 -4.393 1.00 0.49 H new ATOM 441 N ASN A 30 9.683 5.623 -9.449 1.00 0.45 N ATOM 442 CA ASN A 30 10.309 5.404 -10.756 1.00 0.51 C ATOM 443 C ASN A 30 10.577 3.919 -10.993 1.00 0.49 C ATOM 444 O ASN A 30 11.526 3.553 -11.684 1.00 0.55 O ATOM 445 CB ASN A 30 11.619 6.197 -10.891 1.00 0.60 C ATOM 446 CG ASN A 30 11.406 7.699 -10.888 1.00 0.79 C ATOM 447 OD1 ASN A 30 11.142 8.298 -11.932 1.00 1.36 O ATOM 448 ND2 ASN A 30 11.540 8.326 -9.729 1.00 1.44 N ATOM 0 H ASN A 30 8.779 6.093 -9.495 1.00 0.45 H new ATOM 0 HA ASN A 30 9.610 5.761 -11.512 1.00 0.51 H new ATOM 0 HB2 ASN A 30 12.286 5.929 -10.072 1.00 0.60 H new ATOM 0 HB3 ASN A 30 12.118 5.908 -11.816 1.00 0.60 H new ATOM 0 HD21 ASN A 30 11.424 9.338 -9.680 1.00 1.44 H new ATOM 0 HD22 ASN A 30 11.759 7.797 -8.885 1.00 1.44 H new ATOM 455 N HIS A 31 9.724 3.078 -10.410 1.00 0.46 N ATOM 456 CA HIS A 31 9.839 1.618 -10.515 1.00 0.50 C ATOM 457 C HIS A 31 11.108 1.080 -9.850 1.00 0.55 C ATOM 458 O HIS A 31 11.614 0.030 -10.243 1.00 0.67 O ATOM 459 CB HIS A 31 9.783 1.149 -11.976 1.00 0.60 C ATOM 460 CG HIS A 31 8.438 1.309 -12.614 1.00 0.67 C ATOM 461 ND1 HIS A 31 7.483 0.314 -12.623 1.00 1.25 N ATOM 462 CD2 HIS A 31 7.891 2.356 -13.274 1.00 1.11 C ATOM 463 CE1 HIS A 31 6.410 0.745 -13.262 1.00 1.16 C ATOM 464 NE2 HIS A 31 6.634 1.980 -13.663 1.00 0.94 N ATOM 0 H HIS A 31 8.930 3.388 -9.849 1.00 0.46 H new ATOM 0 HA HIS A 31 8.980 1.213 -9.980 1.00 0.50 H new ATOM 0 HB2 HIS A 31 10.518 1.708 -12.555 1.00 0.60 H new ATOM 0 HB3 HIS A 31 10.073 0.099 -12.022 1.00 0.60 H new ATOM 0 HD2 HIS A 31 8.360 3.311 -13.459 1.00 1.11 H new ATOM 0 HE1 HIS A 31 5.504 0.181 -13.427 1.00 1.16 H new ATOM 0 HE2 HIS A 31 5.976 2.563 -14.181 1.00 0.94 H new ATOM 473 N ARG A 32 11.625 1.791 -8.846 1.00 0.53 N ATOM 474 CA ARG A 32 12.721 1.258 -8.035 1.00 0.61 C ATOM 475 C ARG A 32 12.225 0.073 -7.225 1.00 0.56 C ATOM 476 O ARG A 32 12.976 -0.850 -6.905 1.00 0.66 O ATOM 477 CB ARG A 32 13.294 2.320 -7.091 1.00 0.71 C ATOM 478 CG ARG A 32 14.281 3.272 -7.746 1.00 0.81 C ATOM 479 CD ARG A 32 14.882 4.226 -6.730 1.00 1.64 C ATOM 480 NE ARG A 32 16.063 4.909 -7.254 1.00 2.26 N ATOM 481 CZ ARG A 32 16.834 5.721 -6.535 1.00 3.24 C ATOM 482 NH1 ARG A 32 16.487 6.043 -5.297 1.00 3.73 N ATOM 483 NH2 ARG A 32 17.934 6.235 -7.066 1.00 4.08 N ATOM 0 H ARG A 32 11.309 2.723 -8.578 1.00 0.53 H new ATOM 0 HA ARG A 32 13.517 0.944 -8.711 1.00 0.61 H new ATOM 0 HB2 ARG A 32 12.471 2.900 -6.673 1.00 0.71 H new ATOM 0 HB3 ARG A 32 13.788 1.820 -6.258 1.00 0.71 H new ATOM 0 HG2 ARG A 32 15.075 2.702 -8.227 1.00 0.81 H new ATOM 0 HG3 ARG A 32 13.778 3.840 -8.528 1.00 0.81 H new ATOM 0 HD2 ARG A 32 14.135 4.965 -6.440 1.00 1.64 H new ATOM 0 HD3 ARG A 32 15.152 3.674 -5.829 1.00 1.64 H new ATOM 0 HE ARG A 32 16.312 4.754 -8.231 1.00 2.26 H new ATOM 0 HH11 ARG A 32 15.628 5.668 -4.894 1.00 3.73 H new ATOM 0 HH12 ARG A 32 17.079 6.665 -4.747 1.00 3.73 H new ATOM 0 HH21 ARG A 32 18.190 6.008 -8.027 1.00 4.08 H new ATOM 0 HH22 ARG A 32 18.524 6.857 -6.514 1.00 4.08 H new ATOM 497 N ALA A 33 10.947 0.117 -6.898 1.00 0.48 N ATOM 498 CA ALA A 33 10.292 -0.966 -6.204 1.00 0.45 C ATOM 499 C ALA A 33 9.024 -1.344 -6.948 1.00 0.43 C ATOM 500 O ALA A 33 8.377 -0.491 -7.561 1.00 0.49 O ATOM 501 CB ALA A 33 9.979 -0.572 -4.769 1.00 0.49 C ATOM 0 H ALA A 33 10.337 0.907 -7.108 1.00 0.48 H new ATOM 0 HA ALA A 33 10.958 -1.828 -6.173 1.00 0.45 H new ATOM 0 HB1 ALA A 33 9.486 -1.402 -4.263 1.00 0.49 H new ATOM 0 HB2 ALA A 33 10.905 -0.329 -4.248 1.00 0.49 H new ATOM 0 HB3 ALA A 33 9.322 0.297 -4.766 1.00 0.49 H new ATOM 507 N HIS A 34 8.680 -2.616 -6.908 1.00 0.39 N ATOM 508 CA HIS A 34 7.497 -3.106 -7.592 1.00 0.41 C ATOM 509 C HIS A 34 6.419 -3.424 -6.572 1.00 0.36 C ATOM 510 O HIS A 34 6.708 -3.920 -5.485 1.00 0.34 O ATOM 511 CB HIS A 34 7.831 -4.350 -8.431 1.00 0.48 C ATOM 512 CG HIS A 34 6.659 -4.886 -9.203 1.00 0.59 C ATOM 513 ND1 HIS A 34 6.251 -4.367 -10.413 1.00 0.79 N ATOM 514 CD2 HIS A 34 5.793 -5.890 -8.918 1.00 0.63 C ATOM 515 CE1 HIS A 34 5.187 -5.023 -10.835 1.00 0.89 C ATOM 516 NE2 HIS A 34 4.887 -5.952 -9.948 1.00 0.80 N ATOM 0 H HIS A 34 9.205 -3.333 -6.407 1.00 0.39 H new ATOM 0 HA HIS A 34 7.132 -2.334 -8.269 1.00 0.41 H new ATOM 0 HB2 HIS A 34 8.633 -4.104 -9.127 1.00 0.48 H new ATOM 0 HB3 HIS A 34 8.210 -5.131 -7.772 1.00 0.48 H new ATOM 0 HD2 HIS A 34 5.812 -6.523 -8.043 1.00 0.63 H new ATOM 0 HE1 HIS A 34 4.651 -4.831 -11.753 1.00 0.89 H new ATOM 0 HE2 HIS A 34 4.110 -6.609 -10.016 1.00 0.80 H new ATOM 525 N THR A 35 5.181 -3.146 -6.924 1.00 0.38 N ATOM 526 CA THR A 35 4.077 -3.366 -6.018 1.00 0.36 C ATOM 527 C THR A 35 3.193 -4.504 -6.510 1.00 0.39 C ATOM 528 O THR A 35 2.962 -4.654 -7.710 1.00 0.45 O ATOM 529 CB THR A 35 3.246 -2.084 -5.857 1.00 0.41 C ATOM 530 OG1 THR A 35 2.812 -1.620 -7.142 1.00 0.49 O ATOM 531 CG2 THR A 35 4.069 -1.001 -5.179 1.00 0.41 C ATOM 0 H THR A 35 4.915 -2.767 -7.833 1.00 0.38 H new ATOM 0 HA THR A 35 4.488 -3.641 -5.047 1.00 0.36 H new ATOM 0 HB THR A 35 2.377 -2.309 -5.238 1.00 0.41 H new ATOM 0 HG1 THR A 35 2.726 -0.644 -7.125 1.00 0.49 H new ATOM 0 HG21 THR A 35 3.466 -0.099 -5.072 1.00 0.41 H new ATOM 0 HG22 THR A 35 4.383 -1.346 -4.194 1.00 0.41 H new ATOM 0 HG23 THR A 35 4.948 -0.780 -5.784 1.00 0.41 H new ATOM 539 N ASP A 36 2.723 -5.314 -5.581 1.00 0.38 N ATOM 540 CA ASP A 36 1.909 -6.471 -5.913 1.00 0.44 C ATOM 541 C ASP A 36 0.635 -6.459 -5.084 1.00 0.39 C ATOM 542 O ASP A 36 0.686 -6.481 -3.851 1.00 0.47 O ATOM 543 CB ASP A 36 2.701 -7.763 -5.670 1.00 0.56 C ATOM 544 CG ASP A 36 1.893 -9.013 -5.953 1.00 0.92 C ATOM 545 OD1 ASP A 36 1.787 -9.408 -7.134 1.00 1.07 O ATOM 546 OD2 ASP A 36 1.373 -9.616 -4.995 1.00 1.56 O ATOM 0 H ASP A 36 2.892 -5.192 -4.583 1.00 0.38 H new ATOM 0 HA ASP A 36 1.639 -6.428 -6.968 1.00 0.44 H new ATOM 0 HB2 ASP A 36 3.591 -7.761 -6.300 1.00 0.56 H new ATOM 0 HB3 ASP A 36 3.043 -7.784 -4.635 1.00 0.56 H new ATOM 551 N VAL A 37 -0.503 -6.392 -5.759 1.00 0.37 N ATOM 552 CA VAL A 37 -1.785 -6.330 -5.076 1.00 0.37 C ATOM 553 C VAL A 37 -2.234 -7.714 -4.625 1.00 0.36 C ATOM 554 O VAL A 37 -2.620 -8.553 -5.439 1.00 0.48 O ATOM 555 CB VAL A 37 -2.880 -5.709 -5.968 1.00 0.44 C ATOM 556 CG1 VAL A 37 -4.214 -5.682 -5.237 1.00 0.50 C ATOM 557 CG2 VAL A 37 -2.485 -4.309 -6.410 1.00 0.54 C ATOM 0 H VAL A 37 -0.564 -6.379 -6.777 1.00 0.37 H new ATOM 0 HA VAL A 37 -1.643 -5.693 -4.203 1.00 0.37 H new ATOM 0 HB VAL A 37 -2.987 -6.330 -6.857 1.00 0.44 H new ATOM 0 HG11 VAL A 37 -4.974 -5.241 -5.882 1.00 0.50 H new ATOM 0 HG12 VAL A 37 -4.506 -6.699 -4.976 1.00 0.50 H new ATOM 0 HG13 VAL A 37 -4.119 -5.087 -4.329 1.00 0.50 H new ATOM 0 HG21 VAL A 37 -3.271 -3.890 -7.038 1.00 0.54 H new ATOM 0 HG22 VAL A 37 -2.345 -3.677 -5.533 1.00 0.54 H new ATOM 0 HG23 VAL A 37 -1.555 -4.355 -6.976 1.00 0.54 H new ATOM 567 N VAL A 38 -2.155 -7.945 -3.326 1.00 0.34 N ATOM 568 CA VAL A 38 -2.644 -9.175 -2.728 1.00 0.36 C ATOM 569 C VAL A 38 -4.144 -9.064 -2.488 1.00 0.42 C ATOM 570 O VAL A 38 -4.588 -8.284 -1.645 1.00 0.46 O ATOM 571 CB VAL A 38 -1.932 -9.468 -1.390 1.00 0.39 C ATOM 572 CG1 VAL A 38 -2.425 -10.766 -0.778 1.00 0.45 C ATOM 573 CG2 VAL A 38 -0.425 -9.505 -1.579 1.00 0.46 C ATOM 0 H VAL A 38 -1.752 -7.288 -2.658 1.00 0.34 H new ATOM 0 HA VAL A 38 -2.434 -9.994 -3.416 1.00 0.36 H new ATOM 0 HB VAL A 38 -2.173 -8.659 -0.701 1.00 0.39 H new ATOM 0 HG11 VAL A 38 -1.905 -10.945 0.163 1.00 0.45 H new ATOM 0 HG12 VAL A 38 -3.497 -10.697 -0.593 1.00 0.45 H new ATOM 0 HG13 VAL A 38 -2.228 -11.590 -1.464 1.00 0.45 H new ATOM 0 HG21 VAL A 38 0.057 -9.713 -0.623 1.00 0.46 H new ATOM 0 HG22 VAL A 38 -0.167 -10.287 -2.293 1.00 0.46 H new ATOM 0 HG23 VAL A 38 -0.082 -8.542 -1.956 1.00 0.46 H new ATOM 583 N GLY A 39 -4.919 -9.823 -3.249 1.00 0.58 N ATOM 584 CA GLY A 39 -6.360 -9.779 -3.113 1.00 0.74 C ATOM 585 C GLY A 39 -6.843 -10.530 -1.889 1.00 0.69 C ATOM 586 O GLY A 39 -6.080 -11.277 -1.271 1.00 0.84 O ATOM 0 H GLY A 39 -4.575 -10.469 -3.959 1.00 0.58 H new ATOM 0 HA2 GLY A 39 -6.686 -8.741 -3.052 1.00 0.74 H new ATOM 0 HA3 GLY A 39 -6.820 -10.206 -4.004 1.00 0.74 H new ATOM 590 N TYR A 40 -8.108 -10.338 -1.543 1.00 0.73 N ATOM 591 CA TYR A 40 -8.693 -11.005 -0.386 1.00 0.82 C ATOM 592 C TYR A 40 -8.745 -12.510 -0.631 1.00 1.19 C ATOM 593 O TYR A 40 -9.356 -12.967 -1.596 1.00 1.44 O ATOM 594 CB TYR A 40 -10.102 -10.462 -0.108 1.00 0.91 C ATOM 595 CG TYR A 40 -10.652 -10.859 1.248 1.00 1.21 C ATOM 596 CD1 TYR A 40 -11.342 -12.054 1.423 1.00 1.66 C ATOM 597 CD2 TYR A 40 -10.470 -10.042 2.358 1.00 1.29 C ATOM 598 CE1 TYR A 40 -11.831 -12.419 2.663 1.00 2.08 C ATOM 599 CE2 TYR A 40 -10.954 -10.406 3.601 1.00 1.73 C ATOM 600 CZ TYR A 40 -11.633 -11.595 3.746 1.00 2.09 C ATOM 601 OH TYR A 40 -12.109 -11.966 4.982 1.00 2.57 O ATOM 0 H TYR A 40 -8.750 -9.726 -2.046 1.00 0.73 H new ATOM 0 HA TYR A 40 -8.071 -10.807 0.487 1.00 0.82 H new ATOM 0 HB2 TYR A 40 -10.083 -9.374 -0.178 1.00 0.91 H new ATOM 0 HB3 TYR A 40 -10.779 -10.820 -0.884 1.00 0.91 H new ATOM 0 HD1 TYR A 40 -11.498 -12.707 0.577 1.00 1.66 H new ATOM 0 HD2 TYR A 40 -9.941 -9.107 2.247 1.00 1.29 H new ATOM 0 HE1 TYR A 40 -12.367 -13.349 2.781 1.00 2.08 H new ATOM 0 HE2 TYR A 40 -10.800 -9.761 4.454 1.00 1.73 H new ATOM 0 HH TYR A 40 -11.885 -11.275 5.640 1.00 2.57 H new ATOM 611 N GLY A 41 -8.096 -13.273 0.235 1.00 1.45 N ATOM 612 CA GLY A 41 -8.004 -14.704 0.032 1.00 1.91 C ATOM 613 C GLY A 41 -8.822 -15.495 1.032 1.00 2.10 C ATOM 614 O GLY A 41 -8.378 -15.724 2.157 1.00 2.74 O ATOM 0 H GLY A 41 -7.631 -12.927 1.075 1.00 1.45 H new ATOM 0 HA2 GLY A 41 -8.340 -14.945 -0.976 1.00 1.91 H new ATOM 0 HA3 GLY A 41 -6.960 -15.009 0.102 1.00 1.91 H new ATOM 618 N GLY A 42 -10.019 -15.901 0.618 1.00 2.18 N ATOM 619 CA GLY A 42 -10.868 -16.732 1.455 1.00 2.55 C ATOM 620 C GLY A 42 -11.385 -15.996 2.675 1.00 2.43 C ATOM 621 O GLY A 42 -12.438 -15.361 2.623 1.00 2.95 O ATOM 0 H GLY A 42 -10.419 -15.667 -0.291 1.00 2.18 H new ATOM 0 HA2 GLY A 42 -11.713 -17.090 0.867 1.00 2.55 H new ATOM 0 HA3 GLY A 42 -10.308 -17.610 1.776 1.00 2.55 H new ATOM 625 N HIS A 43 -10.643 -16.084 3.767 1.00 2.38 N ATOM 626 CA HIS A 43 -10.998 -15.406 5.003 1.00 2.64 C ATOM 627 C HIS A 43 -9.764 -15.305 5.886 1.00 2.45 C ATOM 628 O HIS A 43 -8.966 -16.240 5.944 1.00 2.82 O ATOM 629 CB HIS A 43 -12.116 -16.157 5.739 1.00 3.41 C ATOM 630 CG HIS A 43 -12.675 -15.403 6.907 1.00 4.12 C ATOM 631 ND1 HIS A 43 -12.474 -15.785 8.216 1.00 4.78 N ATOM 632 CD2 HIS A 43 -13.434 -14.282 6.958 1.00 4.72 C ATOM 633 CE1 HIS A 43 -13.082 -14.934 9.019 1.00 5.56 C ATOM 634 NE2 HIS A 43 -13.671 -14.012 8.281 1.00 5.56 N ATOM 0 H HIS A 43 -9.780 -16.626 3.822 1.00 2.38 H new ATOM 0 HA HIS A 43 -11.365 -14.407 4.767 1.00 2.64 H new ATOM 0 HB2 HIS A 43 -12.921 -16.372 5.037 1.00 3.41 H new ATOM 0 HB3 HIS A 43 -11.731 -17.116 6.086 1.00 3.41 H new ATOM 0 HD2 HIS A 43 -13.787 -13.708 6.114 1.00 4.72 H new ATOM 0 HE1 HIS A 43 -13.096 -14.983 10.098 1.00 5.56 H new ATOM 0 HE2 HIS A 43 -14.215 -13.226 8.637 1.00 5.56 H new ATOM 643 N GLY A 44 -9.597 -14.174 6.552 1.00 2.45 N ATOM 644 CA GLY A 44 -8.419 -13.971 7.375 1.00 2.61 C ATOM 645 C GLY A 44 -7.293 -13.325 6.598 1.00 2.52 C ATOM 646 O GLY A 44 -6.265 -12.955 7.165 1.00 3.24 O ATOM 0 H GLY A 44 -10.253 -13.393 6.539 1.00 2.45 H new ATOM 0 HA2 GLY A 44 -8.676 -13.345 8.229 1.00 2.61 H new ATOM 0 HA3 GLY A 44 -8.084 -14.929 7.772 1.00 2.61 H new ATOM 650 N HIS A 45 -7.492 -13.190 5.293 1.00 2.13 N ATOM 651 CA HIS A 45 -6.506 -12.561 4.424 1.00 2.41 C ATOM 652 C HIS A 45 -7.082 -11.301 3.801 1.00 1.96 C ATOM 653 O HIS A 45 -7.697 -11.358 2.734 1.00 1.99 O ATOM 654 CB HIS A 45 -6.057 -13.517 3.313 1.00 3.13 C ATOM 655 CG HIS A 45 -5.307 -14.714 3.807 1.00 3.69 C ATOM 656 ND1 HIS A 45 -3.943 -14.716 3.995 1.00 4.34 N ATOM 657 CD2 HIS A 45 -5.732 -15.953 4.144 1.00 4.18 C ATOM 658 CE1 HIS A 45 -3.563 -15.904 4.423 1.00 4.97 C ATOM 659 NE2 HIS A 45 -4.628 -16.672 4.523 1.00 4.90 N ATOM 0 H HIS A 45 -8.332 -13.510 4.811 1.00 2.13 H new ATOM 0 HA HIS A 45 -5.640 -12.305 5.035 1.00 2.41 H new ATOM 0 HB2 HIS A 45 -6.934 -13.853 2.760 1.00 3.13 H new ATOM 0 HB3 HIS A 45 -5.428 -12.971 2.610 1.00 3.13 H new ATOM 0 HD2 HIS A 45 -6.751 -16.309 4.119 1.00 4.18 H new ATOM 0 HE1 HIS A 45 -2.549 -16.198 4.653 1.00 4.97 H new ATOM 0 HE2 HIS A 45 -4.631 -17.644 4.832 1.00 4.90 H new ATOM 668 N PRO A 46 -6.909 -10.150 4.466 1.00 1.70 N ATOM 669 CA PRO A 46 -7.387 -8.864 3.964 1.00 1.42 C ATOM 670 C PRO A 46 -6.555 -8.383 2.780 1.00 1.09 C ATOM 671 O PRO A 46 -5.369 -8.704 2.672 1.00 1.09 O ATOM 672 CB PRO A 46 -7.215 -7.911 5.162 1.00 1.54 C ATOM 673 CG PRO A 46 -6.882 -8.781 6.331 1.00 1.86 C ATOM 674 CD PRO A 46 -6.231 -10.005 5.761 1.00 1.87 C ATOM 0 HA PRO A 46 -8.414 -8.920 3.604 1.00 1.42 H new ATOM 0 HB2 PRO A 46 -6.422 -7.187 4.975 1.00 1.54 H new ATOM 0 HB3 PRO A 46 -8.128 -7.344 5.344 1.00 1.54 H new ATOM 0 HG2 PRO A 46 -6.212 -8.268 7.021 1.00 1.86 H new ATOM 0 HG3 PRO A 46 -7.779 -9.041 6.892 1.00 1.86 H new ATOM 0 HD2 PRO A 46 -5.155 -9.875 5.644 1.00 1.87 H new ATOM 0 HD3 PRO A 46 -6.380 -10.878 6.397 1.00 1.87 H new ATOM 682 N THR A 47 -7.189 -7.633 1.888 1.00 0.89 N ATOM 683 CA THR A 47 -6.507 -7.074 0.734 1.00 0.62 C ATOM 684 C THR A 47 -5.373 -6.153 1.184 1.00 0.51 C ATOM 685 O THR A 47 -5.551 -5.316 2.077 1.00 0.59 O ATOM 686 CB THR A 47 -7.494 -6.288 -0.152 1.00 0.62 C ATOM 687 OG1 THR A 47 -8.673 -7.074 -0.377 1.00 0.76 O ATOM 688 CG2 THR A 47 -6.863 -5.922 -1.494 1.00 0.55 C ATOM 0 H THR A 47 -8.180 -7.398 1.945 1.00 0.89 H new ATOM 0 HA THR A 47 -6.091 -7.897 0.152 1.00 0.62 H new ATOM 0 HB THR A 47 -7.755 -5.366 0.367 1.00 0.62 H new ATOM 0 HG1 THR A 47 -9.299 -6.571 -0.939 1.00 0.76 H new ATOM 0 HG21 THR A 47 -7.584 -5.369 -2.096 1.00 0.55 H new ATOM 0 HG22 THR A 47 -5.981 -5.304 -1.325 1.00 0.55 H new ATOM 0 HG23 THR A 47 -6.573 -6.832 -2.020 1.00 0.55 H new ATOM 696 N GLN A 48 -4.211 -6.316 0.572 1.00 0.40 N ATOM 697 CA GLN A 48 -3.032 -5.561 0.960 1.00 0.36 C ATOM 698 C GLN A 48 -2.089 -5.423 -0.225 1.00 0.33 C ATOM 699 O GLN A 48 -1.993 -6.322 -1.054 1.00 0.40 O ATOM 700 CB GLN A 48 -2.322 -6.256 2.131 1.00 0.36 C ATOM 701 CG GLN A 48 -1.835 -7.664 1.809 1.00 0.39 C ATOM 702 CD GLN A 48 -1.324 -8.412 3.029 1.00 0.49 C ATOM 703 OE1 GLN A 48 -0.811 -7.686 4.012 1.00 1.06 O flip ATOM 704 NE2 GLN A 48 -1.394 -9.641 3.087 1.00 1.04 N flip ATOM 0 H GLN A 48 -4.060 -6.967 -0.198 1.00 0.40 H new ATOM 0 HA GLN A 48 -3.338 -4.565 1.281 1.00 0.36 H new ATOM 0 HB2 GLN A 48 -1.471 -5.649 2.439 1.00 0.36 H new ATOM 0 HB3 GLN A 48 -3.004 -6.303 2.980 1.00 0.36 H new ATOM 0 HG2 GLN A 48 -2.651 -8.230 1.359 1.00 0.39 H new ATOM 0 HG3 GLN A 48 -1.039 -7.606 1.066 1.00 0.39 H new ATOM 0 HE21 GLN A 48 -1.796 -10.166 2.310 1.00 1.04 H new ATOM 0 HE22 GLN A 48 -1.050 -10.133 3.912 1.00 1.04 H new ATOM 713 N VAL A 49 -1.408 -4.296 -0.321 1.00 0.29 N ATOM 714 CA VAL A 49 -0.452 -4.099 -1.393 1.00 0.29 C ATOM 715 C VAL A 49 0.968 -4.166 -0.844 1.00 0.28 C ATOM 716 O VAL A 49 1.336 -3.428 0.072 1.00 0.30 O ATOM 717 CB VAL A 49 -0.688 -2.770 -2.154 1.00 0.32 C ATOM 718 CG1 VAL A 49 -0.559 -1.561 -1.238 1.00 0.32 C ATOM 719 CG2 VAL A 49 0.266 -2.656 -3.334 1.00 0.36 C ATOM 0 H VAL A 49 -1.498 -3.511 0.324 1.00 0.29 H new ATOM 0 HA VAL A 49 -0.594 -4.903 -2.115 1.00 0.29 H new ATOM 0 HB VAL A 49 -1.711 -2.784 -2.530 1.00 0.32 H new ATOM 0 HG11 VAL A 49 -0.732 -0.650 -1.811 1.00 0.32 H new ATOM 0 HG12 VAL A 49 -1.295 -1.631 -0.437 1.00 0.32 H new ATOM 0 HG13 VAL A 49 0.443 -1.535 -0.809 1.00 0.32 H new ATOM 0 HG21 VAL A 49 0.087 -1.717 -3.857 1.00 0.36 H new ATOM 0 HG22 VAL A 49 1.295 -2.680 -2.974 1.00 0.36 H new ATOM 0 HG23 VAL A 49 0.101 -3.489 -4.017 1.00 0.36 H new ATOM 729 N ARG A 50 1.745 -5.095 -1.371 1.00 0.31 N ATOM 730 CA ARG A 50 3.113 -5.273 -0.921 1.00 0.30 C ATOM 731 C ARG A 50 4.089 -4.597 -1.872 1.00 0.27 C ATOM 732 O ARG A 50 3.977 -4.719 -3.092 1.00 0.30 O ATOM 733 CB ARG A 50 3.450 -6.763 -0.755 1.00 0.34 C ATOM 734 CG ARG A 50 3.162 -7.611 -1.982 1.00 0.39 C ATOM 735 CD ARG A 50 3.448 -9.082 -1.720 1.00 0.52 C ATOM 736 NE ARG A 50 3.006 -9.927 -2.829 1.00 1.34 N ATOM 737 CZ ARG A 50 3.375 -11.194 -3.000 1.00 1.60 C ATOM 738 NH1 ARG A 50 4.203 -11.777 -2.142 1.00 1.15 N ATOM 739 NH2 ARG A 50 2.904 -11.877 -4.032 1.00 2.62 N ATOM 0 H ARG A 50 1.453 -5.736 -2.109 1.00 0.31 H new ATOM 0 HA ARG A 50 3.210 -4.798 0.055 1.00 0.30 H new ATOM 0 HB2 ARG A 50 4.506 -6.858 -0.502 1.00 0.34 H new ATOM 0 HB3 ARG A 50 2.883 -7.160 0.087 1.00 0.34 H new ATOM 0 HG2 ARG A 50 2.119 -7.488 -2.274 1.00 0.39 H new ATOM 0 HG3 ARG A 50 3.770 -7.264 -2.817 1.00 0.39 H new ATOM 0 HD2 ARG A 50 4.517 -9.222 -1.560 1.00 0.52 H new ATOM 0 HD3 ARG A 50 2.946 -9.392 -0.804 1.00 0.52 H new ATOM 0 HE ARG A 50 2.373 -9.518 -3.517 1.00 1.34 H new ATOM 0 HH11 ARG A 50 4.562 -11.253 -1.344 1.00 1.15 H new ATOM 0 HH12 ARG A 50 4.480 -12.749 -2.281 1.00 1.15 H new ATOM 0 HH21 ARG A 50 2.263 -11.431 -4.689 1.00 2.62 H new ATOM 0 HH22 ARG A 50 3.182 -12.849 -4.170 1.00 2.62 H new ATOM 753 N ILE A 51 5.030 -3.869 -1.299 1.00 0.24 N ATOM 754 CA ILE A 51 6.038 -3.170 -2.067 1.00 0.23 C ATOM 755 C ILE A 51 7.377 -3.862 -1.880 1.00 0.24 C ATOM 756 O ILE A 51 7.936 -3.864 -0.782 1.00 0.27 O ATOM 757 CB ILE A 51 6.170 -1.697 -1.624 1.00 0.28 C ATOM 758 CG1 ILE A 51 4.788 -1.049 -1.491 1.00 0.34 C ATOM 759 CG2 ILE A 51 7.027 -0.922 -2.617 1.00 0.31 C ATOM 760 CD1 ILE A 51 4.833 0.379 -0.998 1.00 0.42 C ATOM 0 H ILE A 51 5.115 -3.747 -0.290 1.00 0.24 H new ATOM 0 HA ILE A 51 5.737 -3.187 -3.114 1.00 0.23 H new ATOM 0 HB ILE A 51 6.656 -1.671 -0.649 1.00 0.28 H new ATOM 0 HG12 ILE A 51 4.290 -1.074 -2.460 1.00 0.34 H new ATOM 0 HG13 ILE A 51 4.183 -1.642 -0.806 1.00 0.34 H new ATOM 0 HG21 ILE A 51 7.112 0.115 -2.293 1.00 0.31 H new ATOM 0 HG22 ILE A 51 8.020 -1.369 -2.667 1.00 0.31 H new ATOM 0 HG23 ILE A 51 6.563 -0.957 -3.603 1.00 0.31 H new ATOM 0 HD11 ILE A 51 3.819 0.772 -0.929 1.00 0.42 H new ATOM 0 HD12 ILE A 51 5.302 0.410 -0.015 1.00 0.42 H new ATOM 0 HD13 ILE A 51 5.411 0.986 -1.695 1.00 0.42 H new ATOM 772 N VAL A 52 7.872 -4.464 -2.943 1.00 0.24 N ATOM 773 CA VAL A 52 9.120 -5.203 -2.890 1.00 0.30 C ATOM 774 C VAL A 52 10.147 -4.550 -3.800 1.00 0.34 C ATOM 775 O VAL A 52 9.830 -4.158 -4.923 1.00 0.33 O ATOM 776 CB VAL A 52 8.927 -6.678 -3.318 1.00 0.36 C ATOM 777 CG1 VAL A 52 10.190 -7.492 -3.067 1.00 0.46 C ATOM 778 CG2 VAL A 52 7.734 -7.299 -2.604 1.00 0.38 C ATOM 0 H VAL A 52 7.426 -4.456 -3.860 1.00 0.24 H new ATOM 0 HA VAL A 52 9.470 -5.187 -1.858 1.00 0.30 H new ATOM 0 HB VAL A 52 8.727 -6.691 -4.389 1.00 0.36 H new ATOM 0 HG11 VAL A 52 10.025 -8.524 -3.377 1.00 0.46 H new ATOM 0 HG12 VAL A 52 11.015 -7.069 -3.639 1.00 0.46 H new ATOM 0 HG13 VAL A 52 10.434 -7.467 -2.005 1.00 0.46 H new ATOM 0 HG21 VAL A 52 7.619 -8.335 -2.921 1.00 0.38 H new ATOM 0 HG22 VAL A 52 7.897 -7.265 -1.527 1.00 0.38 H new ATOM 0 HG23 VAL A 52 6.831 -6.741 -2.852 1.00 0.38 H new ATOM 788 N ALA A 53 11.372 -4.428 -3.316 1.00 0.42 N ATOM 789 CA ALA A 53 12.438 -3.827 -4.099 1.00 0.53 C ATOM 790 C ALA A 53 13.410 -4.891 -4.594 1.00 0.73 C ATOM 791 O ALA A 53 14.276 -5.347 -3.845 1.00 0.93 O ATOM 792 CB ALA A 53 13.173 -2.776 -3.283 1.00 0.70 C ATOM 0 H ALA A 53 11.652 -4.737 -2.385 1.00 0.42 H new ATOM 0 HA ALA A 53 11.990 -3.341 -4.966 1.00 0.53 H new ATOM 0 HB1 ALA A 53 13.968 -2.337 -3.886 1.00 0.70 H new ATOM 0 HB2 ALA A 53 12.474 -1.996 -2.980 1.00 0.70 H new ATOM 0 HB3 ALA A 53 13.605 -3.240 -2.396 1.00 0.70 H new ATOM 798 N PRO A 54 13.270 -5.316 -5.859 1.00 0.85 N ATOM 799 CA PRO A 54 14.148 -6.316 -6.450 1.00 1.12 C ATOM 800 C PRO A 54 15.432 -5.695 -6.985 1.00 1.33 C ATOM 801 O PRO A 54 15.691 -4.507 -6.770 1.00 1.67 O ATOM 802 CB PRO A 54 13.304 -6.877 -7.594 1.00 1.38 C ATOM 803 CG PRO A 54 12.449 -5.732 -8.028 1.00 1.38 C ATOM 804 CD PRO A 54 12.248 -4.852 -6.817 1.00 0.90 C ATOM 0 HA PRO A 54 14.471 -7.069 -5.732 1.00 1.12 H new ATOM 0 HB2 PRO A 54 13.931 -7.235 -8.410 1.00 1.38 H new ATOM 0 HB3 PRO A 54 12.699 -7.721 -7.263 1.00 1.38 H new ATOM 0 HG2 PRO A 54 12.928 -5.176 -8.834 1.00 1.38 H new ATOM 0 HG3 PRO A 54 11.492 -6.088 -8.410 1.00 1.38 H new ATOM 0 HD2 PRO A 54 12.382 -3.799 -7.063 1.00 0.90 H new ATOM 0 HD3 PRO A 54 11.243 -4.959 -6.410 1.00 0.90 H new ATOM 812 N HIS A 55 16.220 -6.502 -7.688 1.00 1.70 N ATOM 813 CA HIS A 55 17.489 -6.061 -8.257 1.00 2.07 C ATOM 814 C HIS A 55 18.390 -5.499 -7.158 1.00 2.00 C ATOM 815 O HIS A 55 18.950 -4.408 -7.283 1.00 2.68 O ATOM 816 CB HIS A 55 17.256 -5.019 -9.364 1.00 3.16 C ATOM 817 CG HIS A 55 18.453 -4.784 -10.240 1.00 3.95 C ATOM 818 ND1 HIS A 55 19.441 -3.871 -9.943 1.00 4.65 N ATOM 819 CD2 HIS A 55 18.818 -5.354 -11.412 1.00 4.64 C ATOM 820 CE1 HIS A 55 20.356 -3.891 -10.889 1.00 5.54 C ATOM 821 NE2 HIS A 55 20.004 -4.782 -11.793 1.00 5.53 N ATOM 0 H HIS A 55 15.997 -7.479 -7.879 1.00 1.70 H new ATOM 0 HA HIS A 55 17.988 -6.919 -8.707 1.00 2.07 H new ATOM 0 HB2 HIS A 55 16.421 -5.344 -9.985 1.00 3.16 H new ATOM 0 HB3 HIS A 55 16.963 -4.075 -8.905 1.00 3.16 H new ATOM 0 HD1 HIS A 55 19.460 -3.272 -9.118 1.00 4.65 H new ATOM 0 HD2 HIS A 55 18.275 -6.118 -11.948 1.00 4.64 H new ATOM 0 HE1 HIS A 55 21.246 -3.280 -10.919 1.00 5.54 H new ATOM 830 N ALA A 56 18.503 -6.247 -6.070 1.00 2.11 N ATOM 831 CA ALA A 56 19.364 -5.859 -4.967 1.00 2.93 C ATOM 832 C ALA A 56 20.812 -6.194 -5.300 1.00 3.03 C ATOM 833 O ALA A 56 21.341 -7.223 -4.881 1.00 3.40 O ATOM 834 CB ALA A 56 18.925 -6.550 -3.684 1.00 3.83 C ATOM 0 H ALA A 56 18.007 -7.127 -5.929 1.00 2.11 H new ATOM 0 HA ALA A 56 19.285 -4.783 -4.812 1.00 2.93 H new ATOM 0 HB1 ALA A 56 19.580 -6.249 -2.866 1.00 3.83 H new ATOM 0 HB2 ALA A 56 17.899 -6.266 -3.450 1.00 3.83 H new ATOM 0 HB3 ALA A 56 18.981 -7.631 -3.815 1.00 3.83 H new ATOM 840 N GLU A 57 21.434 -5.332 -6.084 1.00 3.26 N ATOM 841 CA GLU A 57 22.784 -5.571 -6.568 1.00 3.76 C ATOM 842 C GLU A 57 23.788 -4.785 -5.731 1.00 3.61 C ATOM 843 O GLU A 57 24.866 -5.276 -5.402 1.00 3.99 O ATOM 844 CB GLU A 57 22.886 -5.148 -8.036 1.00 4.58 C ATOM 845 CG GLU A 57 23.999 -5.839 -8.805 1.00 5.31 C ATOM 846 CD GLU A 57 23.703 -7.303 -9.057 1.00 5.69 C ATOM 847 OE1 GLU A 57 22.908 -7.608 -9.970 1.00 6.04 O ATOM 848 OE2 GLU A 57 24.269 -8.157 -8.339 1.00 5.97 O ATOM 0 H GLU A 57 21.023 -4.454 -6.402 1.00 3.26 H new ATOM 0 HA GLU A 57 23.010 -6.634 -6.482 1.00 3.76 H new ATOM 0 HB2 GLU A 57 21.936 -5.354 -8.529 1.00 4.58 H new ATOM 0 HB3 GLU A 57 23.042 -4.070 -8.082 1.00 4.58 H new ATOM 0 HG2 GLU A 57 24.148 -5.332 -9.758 1.00 5.31 H new ATOM 0 HG3 GLU A 57 24.932 -5.750 -8.248 1.00 5.31 H new ATOM 855 N HIS A 58 23.416 -3.563 -5.384 1.00 3.56 N ATOM 856 CA HIS A 58 24.289 -2.678 -4.625 1.00 3.76 C ATOM 857 C HIS A 58 23.844 -2.627 -3.167 1.00 3.57 C ATOM 858 O HIS A 58 23.232 -1.655 -2.721 1.00 4.09 O ATOM 859 CB HIS A 58 24.281 -1.271 -5.243 1.00 4.54 C ATOM 860 CG HIS A 58 25.210 -0.302 -4.573 1.00 5.13 C ATOM 861 ND1 HIS A 58 24.767 0.752 -3.805 1.00 5.69 N ATOM 862 CD2 HIS A 58 26.562 -0.225 -4.567 1.00 5.69 C ATOM 863 CE1 HIS A 58 25.802 1.435 -3.357 1.00 6.45 C ATOM 864 NE2 HIS A 58 26.904 0.862 -3.804 1.00 6.46 N ATOM 0 H HIS A 58 22.509 -3.158 -5.617 1.00 3.56 H new ATOM 0 HA HIS A 58 25.307 -3.066 -4.662 1.00 3.76 H new ATOM 0 HB2 HIS A 58 24.551 -1.347 -6.296 1.00 4.54 H new ATOM 0 HB3 HIS A 58 23.267 -0.873 -5.201 1.00 4.54 H new ATOM 0 HD2 HIS A 58 27.244 -0.895 -5.070 1.00 5.69 H new ATOM 0 HE1 HIS A 58 25.756 2.314 -2.731 1.00 6.45 H new ATOM 0 HE2 HIS A 58 27.855 1.177 -3.613 1.00 6.46 H new ATOM 873 N VAL A 59 24.146 -3.683 -2.426 1.00 3.30 N ATOM 874 CA VAL A 59 23.740 -3.768 -1.032 1.00 3.48 C ATOM 875 C VAL A 59 24.948 -3.938 -0.119 1.00 2.89 C ATOM 876 O VAL A 59 25.503 -5.030 0.004 1.00 3.24 O ATOM 877 CB VAL A 59 22.759 -4.934 -0.792 1.00 4.38 C ATOM 878 CG1 VAL A 59 22.252 -4.921 0.642 1.00 5.11 C ATOM 879 CG2 VAL A 59 21.595 -4.872 -1.767 1.00 5.10 C ATOM 0 H VAL A 59 24.669 -4.490 -2.766 1.00 3.30 H new ATOM 0 HA VAL A 59 23.235 -2.831 -0.796 1.00 3.48 H new ATOM 0 HB VAL A 59 23.296 -5.867 -0.961 1.00 4.38 H new ATOM 0 HG11 VAL A 59 21.561 -5.751 0.791 1.00 5.11 H new ATOM 0 HG12 VAL A 59 23.094 -5.022 1.327 1.00 5.11 H new ATOM 0 HG13 VAL A 59 21.737 -3.981 0.837 1.00 5.11 H new ATOM 0 HG21 VAL A 59 20.917 -5.704 -1.578 1.00 5.10 H new ATOM 0 HG22 VAL A 59 21.060 -3.931 -1.636 1.00 5.10 H new ATOM 0 HG23 VAL A 59 21.972 -4.936 -2.788 1.00 5.10 H new ATOM 889 N ARG A 60 25.366 -2.846 0.498 1.00 2.60 N ATOM 890 CA ARG A 60 26.408 -2.885 1.510 1.00 2.50 C ATOM 891 C ARG A 60 25.942 -2.120 2.745 1.00 2.31 C ATOM 892 O ARG A 60 26.359 -0.985 2.990 1.00 2.94 O ATOM 893 CB ARG A 60 27.723 -2.294 0.982 1.00 3.03 C ATOM 894 CG ARG A 60 28.867 -2.392 1.983 1.00 3.53 C ATOM 895 CD ARG A 60 30.125 -1.698 1.486 1.00 4.11 C ATOM 896 NE ARG A 60 30.706 -2.362 0.325 1.00 4.48 N ATOM 897 CZ ARG A 60 31.746 -1.890 -0.356 1.00 5.30 C ATOM 898 NH1 ARG A 60 32.318 -0.747 0.002 1.00 5.79 N ATOM 899 NH2 ARG A 60 32.218 -2.565 -1.393 1.00 5.97 N ATOM 0 H ARG A 60 24.996 -1.914 0.314 1.00 2.60 H new ATOM 0 HA ARG A 60 26.597 -3.926 1.773 1.00 2.50 H new ATOM 0 HB2 ARG A 60 28.005 -2.812 0.065 1.00 3.03 H new ATOM 0 HB3 ARG A 60 27.565 -1.248 0.721 1.00 3.03 H new ATOM 0 HG2 ARG A 60 28.559 -1.948 2.929 1.00 3.53 H new ATOM 0 HG3 ARG A 60 29.086 -3.441 2.180 1.00 3.53 H new ATOM 0 HD2 ARG A 60 29.889 -0.665 1.230 1.00 4.11 H new ATOM 0 HD3 ARG A 60 30.861 -1.667 2.289 1.00 4.11 H new ATOM 0 HE ARG A 60 30.290 -3.241 0.017 1.00 4.48 H new ATOM 0 HH11 ARG A 60 31.960 -0.226 0.803 1.00 5.79 H new ATOM 0 HH12 ARG A 60 33.116 -0.389 -0.524 1.00 5.79 H new ATOM 0 HH21 ARG A 60 31.784 -3.446 -1.669 1.00 5.97 H new ATOM 0 HH22 ARG A 60 33.016 -2.204 -1.916 1.00 5.97 H new ATOM 913 N GLY A 61 25.052 -2.742 3.499 1.00 1.94 N ATOM 914 CA GLY A 61 24.521 -2.121 4.693 1.00 1.93 C ATOM 915 C GLY A 61 23.616 -3.064 5.451 1.00 1.61 C ATOM 916 O GLY A 61 24.089 -3.881 6.240 1.00 1.76 O ATOM 0 H GLY A 61 24.685 -3.673 3.304 1.00 1.94 H new ATOM 0 HA2 GLY A 61 25.342 -1.807 5.337 1.00 1.93 H new ATOM 0 HA3 GLY A 61 23.967 -1.222 4.422 1.00 1.93 H new ATOM 920 N TYR A 62 22.317 -2.970 5.205 1.00 1.30 N ATOM 921 CA TYR A 62 21.367 -3.884 5.821 1.00 1.07 C ATOM 922 C TYR A 62 21.039 -5.000 4.839 1.00 0.90 C ATOM 923 O TYR A 62 20.582 -4.738 3.729 1.00 0.91 O ATOM 924 CB TYR A 62 20.074 -3.158 6.223 1.00 1.04 C ATOM 925 CG TYR A 62 20.276 -1.936 7.099 1.00 1.31 C ATOM 926 CD1 TYR A 62 20.682 -2.072 8.423 1.00 1.54 C ATOM 927 CD2 TYR A 62 20.080 -0.650 6.604 1.00 1.51 C ATOM 928 CE1 TYR A 62 20.882 -0.966 9.226 1.00 1.83 C ATOM 929 CE2 TYR A 62 20.284 0.462 7.403 1.00 1.79 C ATOM 930 CZ TYR A 62 20.610 0.316 8.703 1.00 1.91 C ATOM 931 OH TYR A 62 20.891 1.400 9.509 1.00 2.22 O ATOM 0 H TYR A 62 21.899 -2.274 4.587 1.00 1.30 H new ATOM 0 HA TYR A 62 21.819 -4.295 6.724 1.00 1.07 H new ATOM 0 HB2 TYR A 62 19.547 -2.856 5.318 1.00 1.04 H new ATOM 0 HB3 TYR A 62 19.427 -3.861 6.748 1.00 1.04 H new ATOM 0 HD1 TYR A 62 20.844 -3.059 8.830 1.00 1.54 H new ATOM 0 HD2 TYR A 62 19.764 -0.517 5.580 1.00 1.51 H new ATOM 0 HE1 TYR A 62 21.241 -1.081 10.238 1.00 1.83 H new ATOM 0 HE2 TYR A 62 20.181 1.452 6.983 1.00 1.79 H new ATOM 0 HH TYR A 62 20.661 2.227 9.036 1.00 2.22 H new ATOM 941 N ALA A 63 21.254 -6.241 5.251 1.00 0.92 N ATOM 942 CA ALA A 63 21.034 -7.386 4.374 1.00 0.91 C ATOM 943 C ALA A 63 19.568 -7.813 4.371 1.00 0.78 C ATOM 944 O ALA A 63 19.250 -8.996 4.473 1.00 0.94 O ATOM 945 CB ALA A 63 21.927 -8.546 4.787 1.00 1.16 C ATOM 0 H ALA A 63 21.581 -6.483 6.187 1.00 0.92 H new ATOM 0 HA ALA A 63 21.293 -7.086 3.359 1.00 0.91 H new ATOM 0 HB1 ALA A 63 21.752 -9.394 4.124 1.00 1.16 H new ATOM 0 HB2 ALA A 63 22.972 -8.242 4.720 1.00 1.16 H new ATOM 0 HB3 ALA A 63 21.698 -8.834 5.813 1.00 1.16 H new ATOM 951 N HIS A 64 18.676 -6.840 4.262 1.00 0.60 N ATOM 952 CA HIS A 64 17.246 -7.105 4.208 1.00 0.51 C ATOM 953 C HIS A 64 16.592 -6.248 3.136 1.00 0.47 C ATOM 954 O HIS A 64 16.538 -5.023 3.264 1.00 0.48 O ATOM 955 CB HIS A 64 16.575 -6.846 5.564 1.00 0.54 C ATOM 956 CG HIS A 64 16.838 -7.912 6.586 1.00 0.73 C ATOM 957 ND1 HIS A 64 15.944 -8.924 6.862 1.00 0.99 N ATOM 958 CD2 HIS A 64 17.900 -8.122 7.400 1.00 1.01 C ATOM 959 CE1 HIS A 64 16.445 -9.708 7.796 1.00 1.13 C ATOM 960 NE2 HIS A 64 17.628 -9.243 8.141 1.00 1.10 N ATOM 0 H HIS A 64 18.920 -5.851 4.209 1.00 0.60 H new ATOM 0 HA HIS A 64 17.113 -8.158 3.960 1.00 0.51 H new ATOM 0 HB2 HIS A 64 16.923 -5.889 5.954 1.00 0.54 H new ATOM 0 HB3 HIS A 64 15.499 -6.757 5.415 1.00 0.54 H new ATOM 0 HD2 HIS A 64 18.794 -7.519 7.455 1.00 1.01 H new ATOM 0 HE1 HIS A 64 15.966 -10.584 8.209 1.00 1.13 H new ATOM 0 HE2 HIS A 64 18.242 -9.651 8.846 1.00 1.10 H new ATOM 969 N PRO A 65 16.109 -6.882 2.059 1.00 0.58 N ATOM 970 CA PRO A 65 15.433 -6.182 0.964 1.00 0.64 C ATOM 971 C PRO A 65 14.092 -5.607 1.404 1.00 0.53 C ATOM 972 O PRO A 65 13.438 -6.146 2.303 1.00 0.54 O ATOM 973 CB PRO A 65 15.229 -7.273 -0.091 1.00 0.84 C ATOM 974 CG PRO A 65 15.236 -8.549 0.672 1.00 1.08 C ATOM 975 CD PRO A 65 16.178 -8.336 1.821 1.00 0.77 C ATOM 0 HA PRO A 65 16.010 -5.332 0.601 1.00 0.64 H new ATOM 0 HB2 PRO A 65 14.288 -7.136 -0.624 1.00 0.84 H new ATOM 0 HB3 PRO A 65 16.023 -7.254 -0.837 1.00 0.84 H new ATOM 0 HG2 PRO A 65 14.236 -8.797 1.028 1.00 1.08 H new ATOM 0 HG3 PRO A 65 15.566 -9.377 0.045 1.00 1.08 H new ATOM 0 HD2 PRO A 65 15.872 -8.902 2.701 1.00 0.77 H new ATOM 0 HD3 PRO A 65 17.191 -8.655 1.574 1.00 0.77 H new ATOM 983 N LEU A 66 13.698 -4.507 0.776 1.00 0.50 N ATOM 984 CA LEU A 66 12.433 -3.854 1.086 1.00 0.44 C ATOM 985 C LEU A 66 11.251 -4.772 0.801 1.00 0.35 C ATOM 986 O LEU A 66 11.061 -5.224 -0.331 1.00 0.37 O ATOM 987 CB LEU A 66 12.293 -2.562 0.275 1.00 0.52 C ATOM 988 CG LEU A 66 10.887 -1.953 0.239 1.00 0.71 C ATOM 989 CD1 LEU A 66 10.465 -1.457 1.613 1.00 1.20 C ATOM 990 CD2 LEU A 66 10.826 -0.826 -0.776 1.00 1.05 C ATOM 0 H LEU A 66 14.240 -4.046 0.045 1.00 0.50 H new ATOM 0 HA LEU A 66 12.432 -3.617 2.150 1.00 0.44 H new ATOM 0 HB2 LEU A 66 12.980 -1.821 0.684 1.00 0.52 H new ATOM 0 HB3 LEU A 66 12.610 -2.760 -0.749 1.00 0.52 H new ATOM 0 HG LEU A 66 10.189 -2.734 -0.062 1.00 0.71 H new ATOM 0 HD11 LEU A 66 9.464 -1.031 1.554 1.00 1.20 H new ATOM 0 HD12 LEU A 66 10.464 -2.290 2.316 1.00 1.20 H new ATOM 0 HD13 LEU A 66 11.164 -0.694 1.955 1.00 1.20 H new ATOM 0 HD21 LEU A 66 9.821 -0.403 -0.790 1.00 1.05 H new ATOM 0 HD22 LEU A 66 11.542 -0.051 -0.503 1.00 1.05 H new ATOM 0 HD23 LEU A 66 11.071 -1.213 -1.765 1.00 1.05 H new ATOM 1002 N ASN A 67 10.471 -5.043 1.837 1.00 0.32 N ATOM 1003 CA ASN A 67 9.240 -5.806 1.699 1.00 0.31 C ATOM 1004 C ASN A 67 8.193 -5.246 2.650 1.00 0.30 C ATOM 1005 O ASN A 67 8.135 -5.618 3.827 1.00 0.40 O ATOM 1006 CB ASN A 67 9.467 -7.293 1.987 1.00 0.42 C ATOM 1007 CG ASN A 67 8.283 -8.149 1.563 1.00 0.51 C ATOM 1008 OD1 ASN A 67 8.249 -8.669 0.446 1.00 0.63 O ATOM 1009 ND2 ASN A 67 7.297 -8.289 2.436 1.00 0.54 N ATOM 0 H ASN A 67 10.672 -4.742 2.791 1.00 0.32 H new ATOM 0 HA ASN A 67 8.893 -5.717 0.670 1.00 0.31 H new ATOM 0 HB2 ASN A 67 10.362 -7.630 1.464 1.00 0.42 H new ATOM 0 HB3 ASN A 67 9.649 -7.431 3.053 1.00 0.42 H new ATOM 0 HD21 ASN A 67 6.475 -8.842 2.193 1.00 0.54 H new ATOM 0 HD22 ASN A 67 7.360 -7.844 3.352 1.00 0.54 H new ATOM 1016 N LEU A 68 7.377 -4.345 2.131 1.00 0.26 N ATOM 1017 CA LEU A 68 6.380 -3.652 2.933 1.00 0.24 C ATOM 1018 C LEU A 68 4.977 -4.113 2.562 1.00 0.23 C ATOM 1019 O LEU A 68 4.645 -4.226 1.389 1.00 0.25 O ATOM 1020 CB LEU A 68 6.516 -2.137 2.725 1.00 0.26 C ATOM 1021 CG LEU A 68 5.404 -1.270 3.324 1.00 0.27 C ATOM 1022 CD1 LEU A 68 5.366 -1.400 4.834 1.00 0.31 C ATOM 1023 CD2 LEU A 68 5.596 0.182 2.928 1.00 0.32 C ATOM 0 H LEU A 68 7.385 -4.073 1.148 1.00 0.26 H new ATOM 0 HA LEU A 68 6.547 -3.887 3.984 1.00 0.24 H new ATOM 0 HB2 LEU A 68 7.467 -1.817 3.150 1.00 0.26 H new ATOM 0 HB3 LEU A 68 6.564 -1.941 1.654 1.00 0.26 H new ATOM 0 HG LEU A 68 4.451 -1.622 2.928 1.00 0.27 H new ATOM 0 HD11 LEU A 68 4.568 -0.774 5.233 1.00 0.31 H new ATOM 0 HD12 LEU A 68 5.182 -2.440 5.105 1.00 0.31 H new ATOM 0 HD13 LEU A 68 6.321 -1.080 5.251 1.00 0.31 H new ATOM 0 HD21 LEU A 68 4.798 0.786 3.361 1.00 0.32 H new ATOM 0 HD22 LEU A 68 6.559 0.535 3.296 1.00 0.32 H new ATOM 0 HD23 LEU A 68 5.569 0.270 1.842 1.00 0.32 H new ATOM 1035 N ALA A 69 4.164 -4.387 3.568 1.00 0.24 N ATOM 1036 CA ALA A 69 2.778 -4.765 3.338 1.00 0.25 C ATOM 1037 C ALA A 69 1.837 -3.701 3.879 1.00 0.24 C ATOM 1038 O ALA A 69 1.763 -3.479 5.085 1.00 0.28 O ATOM 1039 CB ALA A 69 2.476 -6.110 3.977 1.00 0.30 C ATOM 0 H ALA A 69 4.438 -4.355 4.550 1.00 0.24 H new ATOM 0 HA ALA A 69 2.623 -4.851 2.263 1.00 0.25 H new ATOM 0 HB1 ALA A 69 1.435 -6.374 3.793 1.00 0.30 H new ATOM 0 HB2 ALA A 69 3.125 -6.872 3.545 1.00 0.30 H new ATOM 0 HB3 ALA A 69 2.651 -6.050 5.051 1.00 0.30 H new ATOM 1045 N LEU A 70 1.137 -3.037 2.972 1.00 0.22 N ATOM 1046 CA LEU A 70 0.210 -1.976 3.337 1.00 0.22 C ATOM 1047 C LEU A 70 -1.229 -2.465 3.275 1.00 0.23 C ATOM 1048 O LEU A 70 -1.726 -2.831 2.208 1.00 0.28 O ATOM 1049 CB LEU A 70 0.377 -0.781 2.391 1.00 0.23 C ATOM 1050 CG LEU A 70 1.721 -0.055 2.465 1.00 0.23 C ATOM 1051 CD1 LEU A 70 1.854 0.912 1.306 1.00 0.27 C ATOM 1052 CD2 LEU A 70 1.857 0.689 3.784 1.00 0.25 C ATOM 0 H LEU A 70 1.194 -3.216 1.969 1.00 0.22 H new ATOM 0 HA LEU A 70 0.435 -1.671 4.359 1.00 0.22 H new ATOM 0 HB2 LEU A 70 0.229 -1.128 1.368 1.00 0.23 H new ATOM 0 HB3 LEU A 70 -0.415 -0.062 2.601 1.00 0.23 H new ATOM 0 HG LEU A 70 2.518 -0.796 2.403 1.00 0.23 H new ATOM 0 HD11 LEU A 70 2.814 1.424 1.368 1.00 0.27 H new ATOM 0 HD12 LEU A 70 1.795 0.364 0.366 1.00 0.27 H new ATOM 0 HD13 LEU A 70 1.049 1.645 1.350 1.00 0.27 H new ATOM 0 HD21 LEU A 70 2.820 1.199 3.817 1.00 0.25 H new ATOM 0 HD22 LEU A 70 1.055 1.422 3.873 1.00 0.25 H new ATOM 0 HD23 LEU A 70 1.793 -0.020 4.610 1.00 0.25 H new ATOM 1064 N THR A 71 -1.888 -2.489 4.419 1.00 0.21 N ATOM 1065 CA THR A 71 -3.307 -2.793 4.456 1.00 0.23 C ATOM 1066 C THR A 71 -4.055 -1.730 5.258 1.00 0.22 C ATOM 1067 O THR A 71 -3.499 -1.118 6.176 1.00 0.21 O ATOM 1068 CB THR A 71 -3.585 -4.208 5.024 1.00 0.29 C ATOM 1069 OG1 THR A 71 -4.961 -4.560 4.819 1.00 0.75 O ATOM 1070 CG2 THR A 71 -3.249 -4.293 6.507 1.00 0.52 C ATOM 0 H THR A 71 -1.467 -2.303 5.329 1.00 0.21 H new ATOM 0 HA THR A 71 -3.673 -2.784 3.429 1.00 0.23 H new ATOM 0 HB THR A 71 -2.944 -4.910 4.491 1.00 0.29 H new ATOM 0 HG1 THR A 71 -5.100 -4.803 3.880 1.00 0.75 H new ATOM 0 HG21 THR A 71 -3.457 -5.300 6.870 1.00 0.52 H new ATOM 0 HG22 THR A 71 -2.193 -4.065 6.655 1.00 0.52 H new ATOM 0 HG23 THR A 71 -3.856 -3.576 7.059 1.00 0.52 H new ATOM 1078 N TRP A 72 -5.313 -1.509 4.900 1.00 0.25 N ATOM 1079 CA TRP A 72 -6.106 -0.443 5.498 1.00 0.27 C ATOM 1080 C TRP A 72 -7.360 -1.005 6.148 1.00 0.28 C ATOM 1081 O TRP A 72 -7.881 -2.041 5.731 1.00 0.32 O ATOM 1082 CB TRP A 72 -6.482 0.604 4.439 1.00 0.31 C ATOM 1083 CG TRP A 72 -5.310 1.401 3.939 1.00 0.29 C ATOM 1084 CD1 TRP A 72 -4.845 2.577 4.450 1.00 0.32 C ATOM 1085 CD2 TRP A 72 -4.460 1.085 2.827 1.00 0.28 C ATOM 1086 NE1 TRP A 72 -3.753 3.004 3.736 1.00 0.32 N ATOM 1087 CE2 TRP A 72 -3.499 2.110 2.733 1.00 0.29 C ATOM 1088 CE3 TRP A 72 -4.414 0.035 1.905 1.00 0.29 C ATOM 1089 CZ2 TRP A 72 -2.506 2.114 1.756 1.00 0.30 C ATOM 1090 CZ3 TRP A 72 -3.428 0.042 0.935 1.00 0.31 C ATOM 1091 CH2 TRP A 72 -2.487 1.075 0.868 1.00 0.31 C ATOM 0 H TRP A 72 -5.808 -2.056 4.196 1.00 0.25 H new ATOM 0 HA TRP A 72 -5.504 0.038 6.269 1.00 0.27 H new ATOM 0 HB2 TRP A 72 -6.956 0.102 3.596 1.00 0.31 H new ATOM 0 HB3 TRP A 72 -7.221 1.285 4.860 1.00 0.31 H new ATOM 0 HD1 TRP A 72 -5.274 3.097 5.294 1.00 0.32 H new ATOM 0 HE1 TRP A 72 -3.217 3.852 3.923 1.00 0.32 H new ATOM 0 HE3 TRP A 72 -5.136 -0.767 1.949 1.00 0.29 H new ATOM 0 HZ2 TRP A 72 -1.777 2.909 1.702 1.00 0.30 H new ATOM 0 HZ3 TRP A 72 -3.384 -0.764 0.217 1.00 0.31 H new ATOM 0 HH2 TRP A 72 -1.730 1.051 0.098 1.00 0.31 H new ATOM 1102 N ASN A 73 -7.823 -0.313 7.181 1.00 0.31 N ATOM 1103 CA ASN A 73 -9.008 -0.710 7.930 1.00 0.35 C ATOM 1104 C ASN A 73 -10.219 -0.825 7.015 1.00 0.31 C ATOM 1105 O ASN A 73 -10.521 0.085 6.241 1.00 0.30 O ATOM 1106 CB ASN A 73 -9.287 0.309 9.039 1.00 0.45 C ATOM 1107 CG ASN A 73 -8.245 0.267 10.144 1.00 0.76 C ATOM 1108 OD1 ASN A 73 -7.702 -0.793 10.460 1.00 1.02 O ATOM 1109 ND2 ASN A 73 -7.947 1.416 10.732 1.00 0.94 N ATOM 0 H ASN A 73 -7.386 0.542 7.524 1.00 0.31 H new ATOM 0 HA ASN A 73 -8.822 -1.688 8.374 1.00 0.35 H new ATOM 0 HB2 ASN A 73 -9.316 1.310 8.609 1.00 0.45 H new ATOM 0 HB3 ASN A 73 -10.272 0.117 9.465 1.00 0.45 H new ATOM 0 HD21 ASN A 73 -7.247 1.443 11.473 1.00 0.94 H new ATOM 0 HD22 ASN A 73 -8.418 2.274 10.443 1.00 0.94 H new ATOM 1116 N THR A 74 -10.913 -1.954 7.124 1.00 0.36 N ATOM 1117 CA THR A 74 -12.043 -2.263 6.260 1.00 0.38 C ATOM 1118 C THR A 74 -13.159 -1.225 6.400 1.00 0.37 C ATOM 1119 O THR A 74 -13.913 -0.991 5.460 1.00 0.38 O ATOM 1120 CB THR A 74 -12.589 -3.671 6.573 1.00 0.50 C ATOM 1121 OG1 THR A 74 -11.494 -4.593 6.670 1.00 0.74 O ATOM 1122 CG2 THR A 74 -13.552 -4.144 5.493 1.00 0.71 C ATOM 0 H THR A 74 -10.707 -2.678 7.813 1.00 0.36 H new ATOM 0 HA THR A 74 -11.687 -2.237 5.230 1.00 0.38 H new ATOM 0 HB THR A 74 -13.131 -3.626 7.518 1.00 0.50 H new ATOM 0 HG1 THR A 74 -11.837 -5.489 6.871 1.00 0.74 H new ATOM 0 HG21 THR A 74 -13.919 -5.139 5.743 1.00 0.71 H new ATOM 0 HG22 THR A 74 -14.393 -3.453 5.427 1.00 0.71 H new ATOM 0 HG23 THR A 74 -13.035 -4.178 4.534 1.00 0.71 H new ATOM 1130 N ASP A 75 -13.252 -0.603 7.575 1.00 0.39 N ATOM 1131 CA ASP A 75 -14.207 0.480 7.803 1.00 0.45 C ATOM 1132 C ASP A 75 -13.977 1.605 6.800 1.00 0.40 C ATOM 1133 O ASP A 75 -14.913 2.090 6.160 1.00 0.44 O ATOM 1134 CB ASP A 75 -14.060 1.029 9.227 1.00 0.55 C ATOM 1135 CG ASP A 75 -14.315 -0.015 10.295 1.00 1.11 C ATOM 1136 OD1 ASP A 75 -13.437 -0.877 10.511 1.00 1.98 O ATOM 1137 OD2 ASP A 75 -15.388 0.026 10.932 1.00 1.37 O ATOM 0 H ASP A 75 -12.676 -0.832 8.385 1.00 0.39 H new ATOM 0 HA ASP A 75 -15.214 0.083 7.674 1.00 0.45 H new ATOM 0 HB2 ASP A 75 -13.055 1.431 9.353 1.00 0.55 H new ATOM 0 HB3 ASP A 75 -14.755 1.858 9.364 1.00 0.55 H new ATOM 1142 N GLU A 76 -12.720 2.017 6.688 1.00 0.39 N ATOM 1143 CA GLU A 76 -12.314 3.026 5.714 1.00 0.44 C ATOM 1144 C GLU A 76 -12.700 2.601 4.305 1.00 0.38 C ATOM 1145 O GLU A 76 -13.251 3.389 3.539 1.00 0.41 O ATOM 1146 CB GLU A 76 -10.802 3.236 5.776 1.00 0.53 C ATOM 1147 CG GLU A 76 -10.291 3.654 7.142 1.00 0.85 C ATOM 1148 CD GLU A 76 -10.729 5.048 7.526 1.00 0.97 C ATOM 1149 OE1 GLU A 76 -10.024 6.016 7.170 1.00 1.25 O ATOM 1150 OE2 GLU A 76 -11.778 5.185 8.190 1.00 1.57 O ATOM 0 H GLU A 76 -11.957 1.664 7.265 1.00 0.39 H new ATOM 0 HA GLU A 76 -12.826 3.957 5.958 1.00 0.44 H new ATOM 0 HB2 GLU A 76 -10.305 2.312 5.481 1.00 0.53 H new ATOM 0 HB3 GLU A 76 -10.521 3.996 5.047 1.00 0.53 H new ATOM 0 HG2 GLU A 76 -10.647 2.946 7.891 1.00 0.85 H new ATOM 0 HG3 GLU A 76 -9.202 3.605 7.149 1.00 0.85 H new ATOM 1157 N ILE A 77 -12.420 1.343 3.984 1.00 0.34 N ATOM 1158 CA ILE A 77 -12.710 0.792 2.663 1.00 0.34 C ATOM 1159 C ILE A 77 -14.203 0.885 2.335 1.00 0.34 C ATOM 1160 O ILE A 77 -14.584 1.263 1.228 1.00 0.37 O ATOM 1161 CB ILE A 77 -12.249 -0.681 2.562 1.00 0.34 C ATOM 1162 CG1 ILE A 77 -10.752 -0.804 2.889 1.00 0.37 C ATOM 1163 CG2 ILE A 77 -12.541 -1.238 1.175 1.00 0.39 C ATOM 1164 CD1 ILE A 77 -10.215 -2.219 2.782 1.00 0.40 C ATOM 0 H ILE A 77 -11.988 0.679 4.627 1.00 0.34 H new ATOM 0 HA ILE A 77 -12.156 1.388 1.938 1.00 0.34 H new ATOM 0 HB ILE A 77 -12.808 -1.266 3.293 1.00 0.34 H new ATOM 0 HG12 ILE A 77 -10.188 -0.160 2.214 1.00 0.37 H new ATOM 0 HG13 ILE A 77 -10.579 -0.435 3.900 1.00 0.37 H new ATOM 0 HG21 ILE A 77 -12.210 -2.275 1.122 1.00 0.39 H new ATOM 0 HG22 ILE A 77 -13.613 -1.189 0.981 1.00 0.39 H new ATOM 0 HG23 ILE A 77 -12.010 -0.649 0.427 1.00 0.39 H new ATOM 0 HD11 ILE A 77 -9.153 -2.225 3.027 1.00 0.40 H new ATOM 0 HD12 ILE A 77 -10.751 -2.865 3.477 1.00 0.40 H new ATOM 0 HD13 ILE A 77 -10.354 -2.585 1.765 1.00 0.40 H new ATOM 1176 N GLU A 78 -15.036 0.558 3.314 1.00 0.34 N ATOM 1177 CA GLU A 78 -16.487 0.609 3.155 1.00 0.37 C ATOM 1178 C GLU A 78 -16.948 2.031 2.825 1.00 0.38 C ATOM 1179 O GLU A 78 -17.815 2.235 1.972 1.00 0.40 O ATOM 1180 CB GLU A 78 -17.155 0.103 4.441 1.00 0.43 C ATOM 1181 CG GLU A 78 -18.676 0.125 4.421 1.00 0.64 C ATOM 1182 CD GLU A 78 -19.287 -0.780 3.367 1.00 1.33 C ATOM 1183 OE1 GLU A 78 -18.607 -1.749 2.956 1.00 1.65 O ATOM 1184 OE2 GLU A 78 -20.433 -0.536 2.944 1.00 2.15 O ATOM 0 H GLU A 78 -14.729 0.251 4.237 1.00 0.34 H new ATOM 0 HA GLU A 78 -16.779 -0.033 2.324 1.00 0.37 H new ATOM 0 HB2 GLU A 78 -16.823 -0.918 4.629 1.00 0.43 H new ATOM 0 HB3 GLU A 78 -16.808 0.710 5.277 1.00 0.43 H new ATOM 0 HG2 GLU A 78 -19.047 -0.172 5.402 1.00 0.64 H new ATOM 0 HG3 GLU A 78 -19.013 1.147 4.249 1.00 0.64 H new ATOM 1191 N ARG A 79 -16.340 3.014 3.481 1.00 0.40 N ATOM 1192 CA ARG A 79 -16.696 4.414 3.263 1.00 0.45 C ATOM 1193 C ARG A 79 -16.287 4.873 1.862 1.00 0.42 C ATOM 1194 O ARG A 79 -16.912 5.765 1.287 1.00 0.45 O ATOM 1195 CB ARG A 79 -16.052 5.313 4.326 1.00 0.56 C ATOM 1196 CG ARG A 79 -16.491 6.772 4.245 1.00 1.06 C ATOM 1197 CD ARG A 79 -17.983 6.927 4.514 1.00 1.60 C ATOM 1198 NE ARG A 79 -18.450 8.298 4.297 1.00 2.14 N ATOM 1199 CZ ARG A 79 -19.540 8.817 4.864 1.00 3.09 C ATOM 1200 NH1 ARG A 79 -20.252 8.104 5.731 1.00 3.61 N ATOM 1201 NH2 ARG A 79 -19.918 10.051 4.558 1.00 3.96 N ATOM 0 H ARG A 79 -15.599 2.869 4.167 1.00 0.40 H new ATOM 0 HA ARG A 79 -17.779 4.498 3.349 1.00 0.45 H new ATOM 0 HB2 ARG A 79 -16.296 4.924 5.314 1.00 0.56 H new ATOM 0 HB3 ARG A 79 -14.968 5.263 4.223 1.00 0.56 H new ATOM 0 HG2 ARG A 79 -15.928 7.362 4.968 1.00 1.06 H new ATOM 0 HG3 ARG A 79 -16.256 7.169 3.257 1.00 1.06 H new ATOM 0 HD2 ARG A 79 -18.539 6.250 3.865 1.00 1.60 H new ATOM 0 HD3 ARG A 79 -18.197 6.632 5.541 1.00 1.60 H new ATOM 0 HE ARG A 79 -17.907 8.894 3.672 1.00 2.14 H new ATOM 0 HH11 ARG A 79 -19.966 7.154 5.966 1.00 3.61 H new ATOM 0 HH12 ARG A 79 -21.084 8.507 6.161 1.00 3.61 H new ATOM 0 HH21 ARG A 79 -19.376 10.600 3.891 1.00 3.96 H new ATOM 0 HH22 ARG A 79 -20.751 10.451 4.990 1.00 3.96 H new ATOM 1215 N LEU A 80 -15.243 4.253 1.312 1.00 0.40 N ATOM 1216 CA LEU A 80 -14.726 4.626 -0.008 1.00 0.44 C ATOM 1217 C LEU A 80 -15.769 4.396 -1.101 1.00 0.47 C ATOM 1218 O LEU A 80 -15.636 4.899 -2.217 1.00 0.52 O ATOM 1219 CB LEU A 80 -13.462 3.827 -0.345 1.00 0.48 C ATOM 1220 CG LEU A 80 -12.294 3.966 0.637 1.00 0.49 C ATOM 1221 CD1 LEU A 80 -11.081 3.205 0.126 1.00 0.55 C ATOM 1222 CD2 LEU A 80 -11.940 5.430 0.869 1.00 0.55 C ATOM 0 H LEU A 80 -14.737 3.489 1.760 1.00 0.40 H new ATOM 0 HA LEU A 80 -14.484 5.688 0.032 1.00 0.44 H new ATOM 0 HB2 LEU A 80 -13.730 2.773 -0.412 1.00 0.48 H new ATOM 0 HB3 LEU A 80 -13.117 4.131 -1.333 1.00 0.48 H new ATOM 0 HG LEU A 80 -12.604 3.539 1.591 1.00 0.49 H new ATOM 0 HD11 LEU A 80 -10.259 3.313 0.834 1.00 0.55 H new ATOM 0 HD12 LEU A 80 -11.332 2.150 0.019 1.00 0.55 H new ATOM 0 HD13 LEU A 80 -10.781 3.606 -0.842 1.00 0.55 H new ATOM 0 HD21 LEU A 80 -11.108 5.496 1.570 1.00 0.55 H new ATOM 0 HD22 LEU A 80 -11.655 5.890 -0.077 1.00 0.55 H new ATOM 0 HD23 LEU A 80 -12.804 5.952 1.280 1.00 0.55 H new ATOM 1234 N MET A 81 -16.805 3.632 -0.778 1.00 0.49 N ATOM 1235 CA MET A 81 -17.848 3.303 -1.741 1.00 0.57 C ATOM 1236 C MET A 81 -18.863 4.437 -1.895 1.00 0.53 C ATOM 1237 O MET A 81 -19.854 4.294 -2.613 1.00 0.61 O ATOM 1238 CB MET A 81 -18.568 2.023 -1.315 1.00 0.67 C ATOM 1239 CG MET A 81 -17.662 0.802 -1.261 1.00 0.79 C ATOM 1240 SD MET A 81 -18.494 -0.657 -0.604 1.00 1.85 S ATOM 1241 CE MET A 81 -19.884 -0.805 -1.724 1.00 2.59 C ATOM 0 H MET A 81 -16.945 3.227 0.148 1.00 0.49 H new ATOM 0 HA MET A 81 -17.366 3.153 -2.707 1.00 0.57 H new ATOM 0 HB2 MET A 81 -19.014 2.177 -0.333 1.00 0.67 H new ATOM 0 HB3 MET A 81 -19.385 1.828 -2.009 1.00 0.67 H new ATOM 0 HG2 MET A 81 -17.294 0.584 -2.263 1.00 0.79 H new ATOM 0 HG3 MET A 81 -16.792 1.028 -0.644 1.00 0.79 H new ATOM 0 HE1 MET A 81 -20.075 -1.858 -1.929 1.00 2.59 H new ATOM 0 HE2 MET A 81 -20.768 -0.358 -1.268 1.00 2.59 H new ATOM 0 HE3 MET A 81 -19.656 -0.289 -2.657 1.00 2.59 H new ATOM 1251 N GLU A 82 -18.627 5.559 -1.229 1.00 0.47 N ATOM 1252 CA GLU A 82 -19.524 6.704 -1.334 1.00 0.48 C ATOM 1253 C GLU A 82 -18.786 7.925 -1.882 1.00 0.43 C ATOM 1254 O GLU A 82 -17.563 7.901 -2.016 1.00 0.43 O ATOM 1255 CB GLU A 82 -20.149 7.011 0.031 1.00 0.56 C ATOM 1256 CG GLU A 82 -21.040 5.897 0.553 1.00 1.21 C ATOM 1257 CD GLU A 82 -21.711 6.255 1.859 1.00 1.59 C ATOM 1258 OE1 GLU A 82 -22.804 6.863 1.825 1.00 1.61 O ATOM 1259 OE2 GLU A 82 -21.154 5.924 2.922 1.00 2.34 O ATOM 0 H GLU A 82 -17.827 5.702 -0.613 1.00 0.47 H new ATOM 0 HA GLU A 82 -20.323 6.456 -2.033 1.00 0.48 H new ATOM 0 HB2 GLU A 82 -19.353 7.198 0.752 1.00 0.56 H new ATOM 0 HB3 GLU A 82 -20.733 7.928 -0.044 1.00 0.56 H new ATOM 0 HG2 GLU A 82 -21.802 5.667 -0.192 1.00 1.21 H new ATOM 0 HG3 GLU A 82 -20.445 4.994 0.690 1.00 1.21 H new ATOM 1266 N ALA A 83 -19.536 8.987 -2.192 1.00 0.52 N ATOM 1267 CA ALA A 83 -18.978 10.188 -2.823 1.00 0.61 C ATOM 1268 C ALA A 83 -17.788 10.760 -2.050 1.00 0.55 C ATOM 1269 O ALA A 83 -16.673 10.810 -2.573 1.00 0.57 O ATOM 1270 CB ALA A 83 -20.060 11.246 -2.990 1.00 0.79 C ATOM 0 H ALA A 83 -20.539 9.039 -2.015 1.00 0.52 H new ATOM 0 HA ALA A 83 -18.606 9.891 -3.804 1.00 0.61 H new ATOM 0 HB1 ALA A 83 -19.633 12.132 -3.459 1.00 0.79 H new ATOM 0 HB2 ALA A 83 -20.860 10.853 -3.618 1.00 0.79 H new ATOM 0 HB3 ALA A 83 -20.463 11.512 -2.013 1.00 0.79 H new ATOM 1276 N ASP A 84 -18.014 11.180 -0.805 1.00 0.57 N ATOM 1277 CA ASP A 84 -16.933 11.745 0.010 1.00 0.61 C ATOM 1278 C ASP A 84 -15.916 10.674 0.367 1.00 0.49 C ATOM 1279 O ASP A 84 -14.811 10.979 0.810 1.00 0.51 O ATOM 1280 CB ASP A 84 -17.457 12.413 1.293 1.00 0.77 C ATOM 1281 CG ASP A 84 -18.251 11.477 2.180 1.00 1.17 C ATOM 1282 OD1 ASP A 84 -17.646 10.628 2.864 1.00 1.76 O ATOM 1283 OD2 ASP A 84 -19.494 11.598 2.210 1.00 1.47 O ATOM 0 H ASP A 84 -18.922 11.142 -0.342 1.00 0.57 H new ATOM 0 HA ASP A 84 -16.453 12.516 -0.593 1.00 0.61 H new ATOM 0 HB2 ASP A 84 -16.613 12.808 1.858 1.00 0.77 H new ATOM 0 HB3 ASP A 84 -18.084 13.262 1.021 1.00 0.77 H new ATOM 1288 N GLY A 85 -16.282 9.422 0.143 1.00 0.43 N ATOM 1289 CA GLY A 85 -15.372 8.332 0.400 1.00 0.41 C ATOM 1290 C GLY A 85 -14.283 8.284 -0.645 1.00 0.38 C ATOM 1291 O GLY A 85 -13.098 8.247 -0.318 1.00 0.39 O ATOM 0 H GLY A 85 -17.196 9.143 -0.213 1.00 0.43 H new ATOM 0 HA2 GLY A 85 -14.928 8.448 1.389 1.00 0.41 H new ATOM 0 HA3 GLY A 85 -15.919 7.389 0.405 1.00 0.41 H new ATOM 1295 N ALA A 86 -14.683 8.304 -1.912 1.00 0.41 N ATOM 1296 CA ALA A 86 -13.739 8.387 -3.013 1.00 0.46 C ATOM 1297 C ALA A 86 -12.945 9.688 -2.947 1.00 0.45 C ATOM 1298 O ALA A 86 -11.794 9.751 -3.383 1.00 0.45 O ATOM 1299 CB ALA A 86 -14.470 8.272 -4.340 1.00 0.57 C ATOM 0 H ALA A 86 -15.661 8.263 -2.200 1.00 0.41 H new ATOM 0 HA ALA A 86 -13.036 7.558 -2.930 1.00 0.46 H new ATOM 0 HB1 ALA A 86 -13.752 8.336 -5.158 1.00 0.57 H new ATOM 0 HB2 ALA A 86 -14.990 7.315 -4.387 1.00 0.57 H new ATOM 0 HB3 ALA A 86 -15.193 9.083 -4.428 1.00 0.57 H new ATOM 1305 N ALA A 87 -13.572 10.722 -2.396 1.00 0.47 N ATOM 1306 CA ALA A 87 -12.913 12.005 -2.196 1.00 0.53 C ATOM 1307 C ALA A 87 -11.784 11.878 -1.177 1.00 0.48 C ATOM 1308 O ALA A 87 -10.762 12.562 -1.277 1.00 0.51 O ATOM 1309 CB ALA A 87 -13.918 13.057 -1.754 1.00 0.63 C ATOM 0 H ALA A 87 -14.541 10.695 -2.079 1.00 0.47 H new ATOM 0 HA ALA A 87 -12.481 12.320 -3.146 1.00 0.53 H new ATOM 0 HB1 ALA A 87 -13.408 14.009 -1.609 1.00 0.63 H new ATOM 0 HB2 ALA A 87 -14.687 13.170 -2.518 1.00 0.63 H new ATOM 0 HB3 ALA A 87 -14.381 12.747 -0.817 1.00 0.63 H new ATOM 1315 N ARG A 88 -11.965 10.987 -0.206 1.00 0.45 N ATOM 1316 CA ARG A 88 -10.934 10.716 0.787 1.00 0.48 C ATOM 1317 C ARG A 88 -9.762 10.009 0.125 1.00 0.40 C ATOM 1318 O ARG A 88 -8.602 10.250 0.457 1.00 0.42 O ATOM 1319 CB ARG A 88 -11.482 9.842 1.919 1.00 0.56 C ATOM 1320 CG ARG A 88 -12.555 10.511 2.765 1.00 0.96 C ATOM 1321 CD ARG A 88 -11.998 11.668 3.576 1.00 1.41 C ATOM 1322 NE ARG A 88 -10.881 11.249 4.420 1.00 1.91 N ATOM 1323 CZ ARG A 88 -10.924 11.189 5.749 1.00 2.82 C ATOM 1324 NH1 ARG A 88 -12.041 11.491 6.404 1.00 3.26 N ATOM 1325 NH2 ARG A 88 -9.845 10.817 6.417 1.00 3.71 N ATOM 0 H ARG A 88 -12.818 10.440 -0.087 1.00 0.45 H new ATOM 0 HA ARG A 88 -10.605 11.665 1.209 1.00 0.48 H new ATOM 0 HB2 ARG A 88 -11.892 8.928 1.490 1.00 0.56 H new ATOM 0 HB3 ARG A 88 -10.656 9.548 2.567 1.00 0.56 H new ATOM 0 HG2 ARG A 88 -13.354 10.873 2.118 1.00 0.96 H new ATOM 0 HG3 ARG A 88 -12.997 9.776 3.438 1.00 0.96 H new ATOM 0 HD2 ARG A 88 -11.668 12.459 2.902 1.00 1.41 H new ATOM 0 HD3 ARG A 88 -12.787 12.089 4.199 1.00 1.41 H new ATOM 0 HE ARG A 88 -10.010 10.985 3.960 1.00 1.91 H new ATOM 0 HH11 ARG A 88 -12.875 11.772 5.888 1.00 3.26 H new ATOM 0 HH12 ARG A 88 -12.064 11.442 7.423 1.00 3.26 H new ATOM 0 HH21 ARG A 88 -8.990 10.579 5.914 1.00 3.71 H new ATOM 0 HH22 ARG A 88 -9.867 10.768 7.436 1.00 3.71 H new ATOM 1339 N PHE A 89 -10.088 9.142 -0.824 1.00 0.35 N ATOM 1340 CA PHE A 89 -9.090 8.388 -1.569 1.00 0.34 C ATOM 1341 C PHE A 89 -8.187 9.324 -2.369 1.00 0.33 C ATOM 1342 O PHE A 89 -6.966 9.176 -2.356 1.00 0.33 O ATOM 1343 CB PHE A 89 -9.787 7.385 -2.497 1.00 0.36 C ATOM 1344 CG PHE A 89 -8.850 6.544 -3.318 1.00 0.41 C ATOM 1345 CD1 PHE A 89 -8.085 5.552 -2.724 1.00 0.51 C ATOM 1346 CD2 PHE A 89 -8.722 6.754 -4.681 1.00 0.45 C ATOM 1347 CE1 PHE A 89 -7.218 4.786 -3.472 1.00 0.58 C ATOM 1348 CE2 PHE A 89 -7.854 5.990 -5.433 1.00 0.54 C ATOM 1349 CZ PHE A 89 -7.139 4.978 -4.843 1.00 0.58 C ATOM 0 H PHE A 89 -11.050 8.942 -1.098 1.00 0.35 H new ATOM 0 HA PHE A 89 -8.463 7.843 -0.864 1.00 0.34 H new ATOM 0 HB2 PHE A 89 -10.414 6.727 -1.895 1.00 0.36 H new ATOM 0 HB3 PHE A 89 -10.450 7.930 -3.169 1.00 0.36 H new ATOM 0 HD1 PHE A 89 -8.170 5.378 -1.662 1.00 0.51 H new ATOM 0 HD2 PHE A 89 -9.308 7.524 -5.160 1.00 0.45 H new ATOM 0 HE1 PHE A 89 -6.603 4.039 -2.993 1.00 0.58 H new ATOM 0 HE2 PHE A 89 -7.737 6.189 -6.488 1.00 0.54 H new ATOM 0 HZ PHE A 89 -6.516 4.333 -5.445 1.00 0.58 H new ATOM 1359 N GLU A 90 -8.790 10.304 -3.038 1.00 0.35 N ATOM 1360 CA GLU A 90 -8.029 11.262 -3.836 1.00 0.39 C ATOM 1361 C GLU A 90 -7.129 12.098 -2.933 1.00 0.38 C ATOM 1362 O GLU A 90 -5.967 12.356 -3.250 1.00 0.41 O ATOM 1363 CB GLU A 90 -8.971 12.189 -4.615 1.00 0.47 C ATOM 1364 CG GLU A 90 -9.846 11.482 -5.640 1.00 0.70 C ATOM 1365 CD GLU A 90 -9.045 10.801 -6.731 1.00 1.37 C ATOM 1366 OE1 GLU A 90 -8.610 11.495 -7.678 1.00 1.67 O ATOM 1367 OE2 GLU A 90 -8.856 9.573 -6.656 1.00 2.10 O ATOM 0 H GLU A 90 -9.799 10.455 -3.044 1.00 0.35 H new ATOM 0 HA GLU A 90 -7.417 10.704 -4.545 1.00 0.39 H new ATOM 0 HB2 GLU A 90 -9.613 12.712 -3.907 1.00 0.47 H new ATOM 0 HB3 GLU A 90 -8.376 12.946 -5.125 1.00 0.47 H new ATOM 0 HG2 GLU A 90 -10.463 10.740 -5.133 1.00 0.70 H new ATOM 0 HG3 GLU A 90 -10.524 12.206 -6.092 1.00 0.70 H new ATOM 1374 N ARG A 91 -7.682 12.496 -1.794 1.00 0.39 N ATOM 1375 CA ARG A 91 -6.971 13.321 -0.828 1.00 0.44 C ATOM 1376 C ARG A 91 -5.760 12.574 -0.275 1.00 0.37 C ATOM 1377 O ARG A 91 -4.726 13.173 0.025 1.00 0.38 O ATOM 1378 CB ARG A 91 -7.924 13.708 0.310 1.00 0.53 C ATOM 1379 CG ARG A 91 -7.349 14.679 1.334 1.00 0.73 C ATOM 1380 CD ARG A 91 -7.029 16.033 0.719 1.00 1.31 C ATOM 1381 NE ARG A 91 -5.707 16.065 0.097 1.00 2.11 N ATOM 1382 CZ ARG A 91 -5.406 16.788 -0.981 1.00 3.10 C ATOM 1383 NH1 ARG A 91 -6.352 17.453 -1.630 1.00 3.51 N ATOM 1384 NH2 ARG A 91 -4.157 16.833 -1.420 1.00 4.06 N ATOM 0 H ARG A 91 -8.633 12.256 -1.515 1.00 0.39 H new ATOM 0 HA ARG A 91 -6.615 14.225 -1.323 1.00 0.44 H new ATOM 0 HB2 ARG A 91 -8.821 14.150 -0.123 1.00 0.53 H new ATOM 0 HB3 ARG A 91 -8.234 12.800 0.828 1.00 0.53 H new ATOM 0 HG2 ARG A 91 -8.061 14.810 2.149 1.00 0.73 H new ATOM 0 HG3 ARG A 91 -6.443 14.255 1.767 1.00 0.73 H new ATOM 0 HD2 ARG A 91 -7.785 16.277 -0.028 1.00 1.31 H new ATOM 0 HD3 ARG A 91 -7.083 16.801 1.490 1.00 1.31 H new ATOM 0 HE ARG A 91 -4.969 15.498 0.514 1.00 2.11 H new ATOM 0 HH11 ARG A 91 -7.318 17.413 -1.305 1.00 3.51 H new ATOM 0 HH12 ARG A 91 -6.114 18.004 -2.454 1.00 3.51 H new ATOM 0 HH21 ARG A 91 -3.426 16.314 -0.933 1.00 4.06 H new ATOM 0 HH22 ARG A 91 -3.926 17.386 -2.245 1.00 4.06 H new ATOM 1398 N TYR A 92 -5.899 11.261 -0.156 1.00 0.33 N ATOM 1399 CA TYR A 92 -4.838 10.424 0.381 1.00 0.32 C ATOM 1400 C TYR A 92 -3.751 10.185 -0.665 1.00 0.30 C ATOM 1401 O TYR A 92 -2.570 10.092 -0.328 1.00 0.32 O ATOM 1402 CB TYR A 92 -5.405 9.087 0.867 1.00 0.34 C ATOM 1403 CG TYR A 92 -4.404 8.239 1.619 1.00 0.38 C ATOM 1404 CD1 TYR A 92 -3.979 8.590 2.895 1.00 0.47 C ATOM 1405 CD2 TYR A 92 -3.889 7.080 1.051 1.00 0.41 C ATOM 1406 CE1 TYR A 92 -3.066 7.812 3.582 1.00 0.56 C ATOM 1407 CE2 TYR A 92 -2.978 6.297 1.732 1.00 0.48 C ATOM 1408 CZ TYR A 92 -2.556 6.691 3.005 1.00 0.55 C ATOM 1409 OH TYR A 92 -1.662 5.886 3.673 1.00 0.64 O ATOM 0 H TYR A 92 -6.741 10.752 -0.426 1.00 0.33 H new ATOM 0 HA TYR A 92 -4.392 10.946 1.228 1.00 0.32 H new ATOM 0 HB2 TYR A 92 -6.262 9.279 1.512 1.00 0.34 H new ATOM 0 HB3 TYR A 92 -5.772 8.525 0.008 1.00 0.34 H new ATOM 0 HD1 TYR A 92 -4.368 9.485 3.357 1.00 0.47 H new ATOM 0 HD2 TYR A 92 -4.206 6.787 0.061 1.00 0.41 H new ATOM 0 HE1 TYR A 92 -2.757 8.095 4.578 1.00 0.56 H new ATOM 0 HE2 TYR A 92 -2.596 5.391 1.286 1.00 0.48 H new ATOM 0 HH TYR A 92 -1.410 5.132 3.100 1.00 0.64 H new ATOM 1419 N LEU A 93 -4.150 10.099 -1.931 1.00 0.31 N ATOM 1420 CA LEU A 93 -3.202 9.859 -3.018 1.00 0.34 C ATOM 1421 C LEU A 93 -2.184 10.986 -3.112 1.00 0.35 C ATOM 1422 O LEU A 93 -0.989 10.747 -3.269 1.00 0.38 O ATOM 1423 CB LEU A 93 -3.929 9.709 -4.358 1.00 0.39 C ATOM 1424 CG LEU A 93 -4.831 8.480 -4.483 1.00 0.41 C ATOM 1425 CD1 LEU A 93 -5.550 8.489 -5.820 1.00 0.48 C ATOM 1426 CD2 LEU A 93 -4.027 7.194 -4.324 1.00 0.44 C ATOM 0 H LEU A 93 -5.121 10.191 -2.230 1.00 0.31 H new ATOM 0 HA LEU A 93 -2.679 8.929 -2.795 1.00 0.34 H new ATOM 0 HB2 LEU A 93 -4.533 10.600 -4.525 1.00 0.39 H new ATOM 0 HB3 LEU A 93 -3.185 9.674 -5.154 1.00 0.39 H new ATOM 0 HG LEU A 93 -5.571 8.519 -3.684 1.00 0.41 H new ATOM 0 HD11 LEU A 93 -6.188 7.609 -5.896 1.00 0.48 H new ATOM 0 HD12 LEU A 93 -6.161 9.388 -5.899 1.00 0.48 H new ATOM 0 HD13 LEU A 93 -4.818 8.476 -6.627 1.00 0.48 H new ATOM 0 HD21 LEU A 93 -4.692 6.335 -4.417 1.00 0.44 H new ATOM 0 HD22 LEU A 93 -3.261 7.146 -5.098 1.00 0.44 H new ATOM 0 HD23 LEU A 93 -3.552 7.181 -3.343 1.00 0.44 H new ATOM 1438 N ALA A 94 -2.657 12.216 -2.998 1.00 0.36 N ATOM 1439 CA ALA A 94 -1.775 13.373 -3.052 1.00 0.39 C ATOM 1440 C ALA A 94 -0.890 13.448 -1.808 1.00 0.37 C ATOM 1441 O ALA A 94 0.141 14.121 -1.807 1.00 0.44 O ATOM 1442 CB ALA A 94 -2.587 14.647 -3.210 1.00 0.43 C ATOM 0 H ALA A 94 -3.644 12.440 -2.868 1.00 0.36 H new ATOM 0 HA ALA A 94 -1.123 13.265 -3.919 1.00 0.39 H new ATOM 0 HB1 ALA A 94 -1.915 15.504 -3.249 1.00 0.43 H new ATOM 0 HB2 ALA A 94 -3.166 14.597 -4.132 1.00 0.43 H new ATOM 0 HB3 ALA A 94 -3.264 14.755 -2.362 1.00 0.43 H new ATOM 1448 N ALA A 95 -1.291 12.741 -0.757 1.00 0.33 N ATOM 1449 CA ALA A 95 -0.565 12.761 0.504 1.00 0.35 C ATOM 1450 C ALA A 95 0.423 11.602 0.600 1.00 0.33 C ATOM 1451 O ALA A 95 1.192 11.514 1.558 1.00 0.33 O ATOM 1452 CB ALA A 95 -1.542 12.713 1.667 1.00 0.40 C ATOM 0 H ALA A 95 -2.119 12.145 -0.756 1.00 0.33 H new ATOM 0 HA ALA A 95 0.005 13.689 0.548 1.00 0.35 H new ATOM 0 HB1 ALA A 95 -0.990 12.728 2.607 1.00 0.40 H new ATOM 0 HB2 ALA A 95 -2.205 13.577 1.621 1.00 0.40 H new ATOM 0 HB3 ALA A 95 -2.133 11.799 1.608 1.00 0.40 H new ATOM 1458 N LEU A 96 0.394 10.719 -0.398 1.00 0.35 N ATOM 1459 CA LEU A 96 1.282 9.551 -0.436 1.00 0.36 C ATOM 1460 C LEU A 96 2.755 9.907 -0.189 1.00 0.35 C ATOM 1461 O LEU A 96 3.402 9.239 0.609 1.00 0.34 O ATOM 1462 CB LEU A 96 1.142 8.789 -1.759 1.00 0.44 C ATOM 1463 CG LEU A 96 -0.168 8.019 -1.940 1.00 0.49 C ATOM 1464 CD1 LEU A 96 -0.256 7.452 -3.347 1.00 0.56 C ATOM 1465 CD2 LEU A 96 -0.290 6.902 -0.911 1.00 0.49 C ATOM 0 H LEU A 96 -0.237 10.789 -1.196 1.00 0.35 H new ATOM 0 HA LEU A 96 0.963 8.908 0.384 1.00 0.36 H new ATOM 0 HB2 LEU A 96 1.242 9.499 -2.580 1.00 0.44 H new ATOM 0 HB3 LEU A 96 1.971 8.086 -1.843 1.00 0.44 H new ATOM 0 HG LEU A 96 -0.994 8.713 -1.788 1.00 0.49 H new ATOM 0 HD11 LEU A 96 -1.193 6.907 -3.462 1.00 0.56 H new ATOM 0 HD12 LEU A 96 -0.219 8.266 -4.070 1.00 0.56 H new ATOM 0 HD13 LEU A 96 0.581 6.775 -3.520 1.00 0.56 H new ATOM 0 HD21 LEU A 96 -1.229 6.370 -1.061 1.00 0.49 H new ATOM 0 HD22 LEU A 96 0.542 6.208 -1.027 1.00 0.49 H new ATOM 0 HD23 LEU A 96 -0.270 7.328 0.092 1.00 0.49 H new ATOM 1477 N PRO A 97 3.322 10.945 -0.853 1.00 0.37 N ATOM 1478 CA PRO A 97 4.711 11.365 -0.613 1.00 0.39 C ATOM 1479 C PRO A 97 5.006 11.615 0.870 1.00 0.35 C ATOM 1480 O PRO A 97 6.061 11.230 1.378 1.00 0.36 O ATOM 1481 CB PRO A 97 4.848 12.673 -1.413 1.00 0.46 C ATOM 1482 CG PRO A 97 3.456 13.056 -1.793 1.00 0.46 C ATOM 1483 CD PRO A 97 2.691 11.771 -1.894 1.00 0.42 C ATOM 0 HA PRO A 97 5.416 10.591 -0.916 1.00 0.39 H new ATOM 0 HB2 PRO A 97 5.320 13.452 -0.814 1.00 0.46 H new ATOM 0 HB3 PRO A 97 5.470 12.529 -2.296 1.00 0.46 H new ATOM 0 HG2 PRO A 97 3.015 13.716 -1.046 1.00 0.46 H new ATOM 0 HG3 PRO A 97 3.444 13.594 -2.741 1.00 0.46 H new ATOM 0 HD2 PRO A 97 1.627 11.916 -1.708 1.00 0.42 H new ATOM 0 HD3 PRO A 97 2.783 11.320 -2.882 1.00 0.42 H new ATOM 1491 N ARG A 98 4.056 12.236 1.560 1.00 0.34 N ATOM 1492 CA ARG A 98 4.221 12.563 2.975 1.00 0.35 C ATOM 1493 C ARG A 98 4.123 11.311 3.840 1.00 0.31 C ATOM 1494 O ARG A 98 4.841 11.168 4.831 1.00 0.33 O ATOM 1495 CB ARG A 98 3.179 13.593 3.415 1.00 0.44 C ATOM 1496 CG ARG A 98 3.249 13.931 4.895 1.00 1.33 C ATOM 1497 CD ARG A 98 2.209 14.965 5.278 1.00 1.71 C ATOM 1498 NE ARG A 98 2.100 15.113 6.726 1.00 2.37 N ATOM 1499 CZ ARG A 98 1.115 15.764 7.339 1.00 3.24 C ATOM 1500 NH1 ARG A 98 0.146 16.330 6.630 1.00 3.56 N ATOM 1501 NH2 ARG A 98 1.102 15.843 8.664 1.00 4.22 N ATOM 0 H ARG A 98 3.162 12.524 1.163 1.00 0.34 H new ATOM 0 HA ARG A 98 5.214 12.993 3.106 1.00 0.35 H new ATOM 0 HB2 ARG A 98 3.314 14.506 2.835 1.00 0.44 H new ATOM 0 HB3 ARG A 98 2.184 13.213 3.184 1.00 0.44 H new ATOM 0 HG2 ARG A 98 3.098 13.026 5.484 1.00 1.33 H new ATOM 0 HG3 ARG A 98 4.243 14.306 5.137 1.00 1.33 H new ATOM 0 HD2 ARG A 98 2.470 15.925 4.833 1.00 1.71 H new ATOM 0 HD3 ARG A 98 1.241 14.676 4.868 1.00 1.71 H new ATOM 0 HE ARG A 98 2.826 14.690 7.305 1.00 2.37 H new ATOM 0 HH11 ARG A 98 0.155 16.267 5.612 1.00 3.56 H new ATOM 0 HH12 ARG A 98 -0.608 16.828 7.103 1.00 3.56 H new ATOM 0 HH21 ARG A 98 1.845 15.406 9.208 1.00 4.22 H new ATOM 0 HH22 ARG A 98 0.349 16.341 9.138 1.00 4.22 H new ATOM 1515 N LYS A 99 3.246 10.398 3.445 1.00 0.31 N ATOM 1516 CA LYS A 99 3.068 9.147 4.171 1.00 0.36 C ATOM 1517 C LYS A 99 4.285 8.259 3.971 1.00 0.32 C ATOM 1518 O LYS A 99 4.759 7.609 4.900 1.00 0.32 O ATOM 1519 CB LYS A 99 1.811 8.415 3.690 1.00 0.47 C ATOM 1520 CG LYS A 99 0.533 8.777 4.439 1.00 0.86 C ATOM 1521 CD LYS A 99 0.217 10.263 4.362 1.00 1.14 C ATOM 1522 CE LYS A 99 -1.177 10.568 4.885 1.00 1.52 C ATOM 1523 NZ LYS A 99 -1.362 10.129 6.295 1.00 1.44 N ATOM 0 H LYS A 99 2.647 10.500 2.626 1.00 0.31 H new ATOM 0 HA LYS A 99 2.953 9.376 5.231 1.00 0.36 H new ATOM 0 HB2 LYS A 99 1.667 8.628 2.631 1.00 0.47 H new ATOM 0 HB3 LYS A 99 1.976 7.341 3.780 1.00 0.47 H new ATOM 0 HG2 LYS A 99 -0.300 8.209 4.026 1.00 0.86 H new ATOM 0 HG3 LYS A 99 0.632 8.483 5.484 1.00 0.86 H new ATOM 0 HD2 LYS A 99 0.953 10.822 4.940 1.00 1.14 H new ATOM 0 HD3 LYS A 99 0.300 10.600 3.329 1.00 1.14 H new ATOM 0 HE2 LYS A 99 -1.363 11.640 4.814 1.00 1.52 H new ATOM 0 HE3 LYS A 99 -1.915 10.074 4.254 1.00 1.52 H new ATOM 0 HZ1 LYS A 99 -2.322 10.374 6.612 1.00 1.44 H new ATOM 0 HZ2 LYS A 99 -1.228 9.100 6.358 1.00 1.44 H new ATOM 0 HZ3 LYS A 99 -0.665 10.607 6.902 1.00 1.44 H new ATOM 1537 N LEU A 100 4.787 8.264 2.746 1.00 0.33 N ATOM 1538 CA LEU A 100 5.949 7.476 2.374 1.00 0.35 C ATOM 1539 C LEU A 100 7.160 7.903 3.188 1.00 0.34 C ATOM 1540 O LEU A 100 7.827 7.075 3.806 1.00 0.35 O ATOM 1541 CB LEU A 100 6.232 7.647 0.877 1.00 0.42 C ATOM 1542 CG LEU A 100 7.314 6.738 0.297 1.00 0.82 C ATOM 1543 CD1 LEU A 100 6.842 5.294 0.259 1.00 0.62 C ATOM 1544 CD2 LEU A 100 7.706 7.203 -1.095 1.00 1.58 C ATOM 0 H LEU A 100 4.399 8.816 1.981 1.00 0.33 H new ATOM 0 HA LEU A 100 5.746 6.426 2.582 1.00 0.35 H new ATOM 0 HB2 LEU A 100 5.306 7.473 0.329 1.00 0.42 H new ATOM 0 HB3 LEU A 100 6.519 8.683 0.697 1.00 0.42 H new ATOM 0 HG LEU A 100 8.190 6.794 0.943 1.00 0.82 H new ATOM 0 HD11 LEU A 100 7.629 4.665 -0.158 1.00 0.62 H new ATOM 0 HD12 LEU A 100 6.608 4.961 1.270 1.00 0.62 H new ATOM 0 HD13 LEU A 100 5.950 5.219 -0.363 1.00 0.62 H new ATOM 0 HD21 LEU A 100 8.478 6.545 -1.494 1.00 1.58 H new ATOM 0 HD22 LEU A 100 6.833 7.176 -1.747 1.00 1.58 H new ATOM 0 HD23 LEU A 100 8.089 8.222 -1.044 1.00 1.58 H new ATOM 1556 N ALA A 101 7.418 9.206 3.205 1.00 0.33 N ATOM 1557 CA ALA A 101 8.543 9.759 3.946 1.00 0.36 C ATOM 1558 C ALA A 101 8.417 9.456 5.434 1.00 0.33 C ATOM 1559 O ALA A 101 9.417 9.278 6.134 1.00 0.35 O ATOM 1560 CB ALA A 101 8.634 11.260 3.719 1.00 0.41 C ATOM 0 H ALA A 101 6.859 9.901 2.711 1.00 0.33 H new ATOM 0 HA ALA A 101 9.456 9.290 3.580 1.00 0.36 H new ATOM 0 HB1 ALA A 101 9.479 11.662 4.278 1.00 0.41 H new ATOM 0 HB2 ALA A 101 8.774 11.459 2.657 1.00 0.41 H new ATOM 0 HB3 ALA A 101 7.714 11.736 4.059 1.00 0.41 H new ATOM 1566 N ALA A 102 7.179 9.399 5.908 1.00 0.32 N ATOM 1567 CA ALA A 102 6.905 9.101 7.302 1.00 0.33 C ATOM 1568 C ALA A 102 7.264 7.658 7.632 1.00 0.32 C ATOM 1569 O ALA A 102 7.948 7.392 8.619 1.00 0.35 O ATOM 1570 CB ALA A 102 5.444 9.371 7.615 1.00 0.35 C ATOM 0 H ALA A 102 6.346 9.557 5.341 1.00 0.32 H new ATOM 0 HA ALA A 102 7.524 9.751 7.921 1.00 0.33 H new ATOM 0 HB1 ALA A 102 5.249 9.144 8.663 1.00 0.35 H new ATOM 0 HB2 ALA A 102 5.218 10.420 7.422 1.00 0.35 H new ATOM 0 HB3 ALA A 102 4.815 8.743 6.985 1.00 0.35 H new ATOM 1576 N TRP A 103 6.812 6.729 6.795 1.00 0.30 N ATOM 1577 CA TRP A 103 7.083 5.312 7.011 1.00 0.32 C ATOM 1578 C TRP A 103 8.578 5.034 6.958 1.00 0.32 C ATOM 1579 O TRP A 103 9.087 4.209 7.719 1.00 0.34 O ATOM 1580 CB TRP A 103 6.354 4.446 5.975 1.00 0.33 C ATOM 1581 CG TRP A 103 4.861 4.481 6.105 1.00 0.34 C ATOM 1582 CD1 TRP A 103 4.132 4.481 7.260 1.00 0.36 C ATOM 1583 CD2 TRP A 103 3.914 4.500 5.034 1.00 0.35 C ATOM 1584 NE1 TRP A 103 2.791 4.517 6.970 1.00 0.40 N ATOM 1585 CE2 TRP A 103 2.631 4.528 5.610 1.00 0.39 C ATOM 1586 CE3 TRP A 103 4.026 4.503 3.643 1.00 0.37 C ATOM 1587 CZ2 TRP A 103 1.472 4.560 4.844 1.00 0.43 C ATOM 1588 CZ3 TRP A 103 2.876 4.533 2.882 1.00 0.41 C ATOM 1589 CH2 TRP A 103 1.612 4.563 3.484 1.00 0.44 C ATOM 0 H TRP A 103 6.258 6.931 5.963 1.00 0.30 H new ATOM 0 HA TRP A 103 6.711 5.053 8.002 1.00 0.32 H new ATOM 0 HB2 TRP A 103 6.631 4.780 4.975 1.00 0.33 H new ATOM 0 HB3 TRP A 103 6.694 3.415 6.072 1.00 0.33 H new ATOM 0 HD1 TRP A 103 4.550 4.456 8.256 1.00 0.36 H new ATOM 0 HE1 TRP A 103 2.036 4.533 7.656 1.00 0.40 H new ATOM 0 HE3 TRP A 103 4.997 4.482 3.170 1.00 0.37 H new ATOM 0 HZ2 TRP A 103 0.496 4.582 5.306 1.00 0.43 H new ATOM 0 HZ3 TRP A 103 2.952 4.533 1.805 1.00 0.41 H new ATOM 0 HH2 TRP A 103 0.730 4.589 2.861 1.00 0.44 H new ATOM 1600 N GLU A 104 9.278 5.734 6.072 1.00 0.34 N ATOM 1601 CA GLU A 104 10.720 5.576 5.951 1.00 0.38 C ATOM 1602 C GLU A 104 11.415 5.935 7.260 1.00 0.39 C ATOM 1603 O GLU A 104 12.203 5.151 7.793 1.00 0.41 O ATOM 1604 CB GLU A 104 11.280 6.442 4.817 1.00 0.42 C ATOM 1605 CG GLU A 104 10.781 6.057 3.432 1.00 0.45 C ATOM 1606 CD GLU A 104 11.572 6.731 2.327 1.00 0.51 C ATOM 1607 OE1 GLU A 104 12.650 6.213 1.961 1.00 0.52 O ATOM 1608 OE2 GLU A 104 11.132 7.788 1.828 1.00 0.62 O ATOM 0 H GLU A 104 8.871 6.414 5.430 1.00 0.34 H new ATOM 0 HA GLU A 104 10.915 4.529 5.719 1.00 0.38 H new ATOM 0 HB2 GLU A 104 11.020 7.483 5.008 1.00 0.42 H new ATOM 0 HB3 GLU A 104 12.368 6.378 4.830 1.00 0.42 H new ATOM 0 HG2 GLU A 104 10.844 4.975 3.313 1.00 0.45 H new ATOM 0 HG3 GLU A 104 9.729 6.327 3.339 1.00 0.45 H new ATOM 1615 N ASN A 105 11.090 7.109 7.785 1.00 0.41 N ATOM 1616 CA ASN A 105 11.729 7.613 8.998 1.00 0.47 C ATOM 1617 C ASN A 105 11.300 6.825 10.234 1.00 0.46 C ATOM 1618 O ASN A 105 12.109 6.567 11.122 1.00 0.50 O ATOM 1619 CB ASN A 105 11.411 9.102 9.183 1.00 0.53 C ATOM 1620 CG ASN A 105 12.038 9.690 10.440 1.00 1.24 C ATOM 1621 OD1 ASN A 105 13.193 10.120 10.426 1.00 2.01 O ATOM 1622 ND2 ASN A 105 11.281 9.735 11.529 1.00 1.70 N ATOM 0 H ASN A 105 10.386 7.733 7.390 1.00 0.41 H new ATOM 0 HA ASN A 105 12.805 7.485 8.882 1.00 0.47 H new ATOM 0 HB2 ASN A 105 11.766 9.655 8.313 1.00 0.53 H new ATOM 0 HB3 ASN A 105 10.330 9.235 9.226 1.00 0.53 H new ATOM 0 HD21 ASN A 105 11.651 10.135 12.391 1.00 1.70 H new ATOM 0 HD22 ASN A 105 10.329 9.370 11.504 1.00 1.70 H new ATOM 1629 N ALA A 106 10.036 6.432 10.284 1.00 0.45 N ATOM 1630 CA ALA A 106 9.492 5.796 11.478 1.00 0.48 C ATOM 1631 C ALA A 106 9.868 4.320 11.567 1.00 0.50 C ATOM 1632 O ALA A 106 10.312 3.845 12.613 1.00 0.66 O ATOM 1633 CB ALA A 106 7.978 5.950 11.515 1.00 0.52 C ATOM 0 H ALA A 106 9.371 6.540 9.519 1.00 0.45 H new ATOM 0 HA ALA A 106 9.931 6.299 12.340 1.00 0.48 H new ATOM 0 HB1 ALA A 106 7.585 5.471 12.412 1.00 0.52 H new ATOM 0 HB2 ALA A 106 7.720 7.009 11.527 1.00 0.52 H new ATOM 0 HB3 ALA A 106 7.543 5.481 10.633 1.00 0.52 H new ATOM 1639 N ARG A 107 9.688 3.598 10.471 1.00 0.43 N ATOM 1640 CA ARG A 107 9.849 2.147 10.496 1.00 0.47 C ATOM 1641 C ARG A 107 11.249 1.709 10.078 1.00 0.48 C ATOM 1642 O ARG A 107 11.556 0.516 10.078 1.00 0.56 O ATOM 1643 CB ARG A 107 8.796 1.476 9.609 1.00 0.51 C ATOM 1644 CG ARG A 107 7.364 1.912 9.910 1.00 0.59 C ATOM 1645 CD ARG A 107 6.962 1.639 11.361 1.00 0.72 C ATOM 1646 NE ARG A 107 7.013 0.213 11.692 1.00 0.81 N ATOM 1647 CZ ARG A 107 6.066 -0.428 12.382 1.00 1.10 C ATOM 1648 NH1 ARG A 107 4.987 0.218 12.807 1.00 1.35 N ATOM 1649 NH2 ARG A 107 6.198 -1.721 12.647 1.00 1.26 N ATOM 0 H ARG A 107 9.433 3.985 9.562 1.00 0.43 H new ATOM 0 HA ARG A 107 9.707 1.828 11.529 1.00 0.47 H new ATOM 0 HB2 ARG A 107 9.021 1.696 8.565 1.00 0.51 H new ATOM 0 HB3 ARG A 107 8.869 0.395 9.729 1.00 0.51 H new ATOM 0 HG2 ARG A 107 7.260 2.977 9.702 1.00 0.59 H new ATOM 0 HG3 ARG A 107 6.680 1.388 9.242 1.00 0.59 H new ATOM 0 HD2 ARG A 107 7.625 2.189 12.029 1.00 0.72 H new ATOM 0 HD3 ARG A 107 5.953 2.014 11.533 1.00 0.72 H new ATOM 0 HE ARG A 107 7.821 -0.323 11.376 1.00 0.81 H new ATOM 0 HH11 ARG A 107 4.876 1.212 12.607 1.00 1.35 H new ATOM 0 HH12 ARG A 107 4.269 -0.280 13.333 1.00 1.35 H new ATOM 0 HH21 ARG A 107 7.023 -2.226 12.324 1.00 1.26 H new ATOM 0 HH22 ARG A 107 5.474 -2.210 13.174 1.00 1.26 H new ATOM 1663 N GLY A 108 12.095 2.672 9.731 1.00 0.45 N ATOM 1664 CA GLY A 108 13.463 2.355 9.365 1.00 0.49 C ATOM 1665 C GLY A 108 13.554 1.717 7.995 1.00 0.46 C ATOM 1666 O GLY A 108 14.167 0.663 7.823 1.00 0.50 O ATOM 0 H GLY A 108 11.859 3.664 9.696 1.00 0.45 H new ATOM 0 HA2 GLY A 108 14.062 3.266 9.381 1.00 0.49 H new ATOM 0 HA3 GLY A 108 13.889 1.680 10.107 1.00 0.49 H new ATOM 1670 N VAL A 109 12.954 2.369 7.016 1.00 0.42 N ATOM 1671 CA VAL A 109 12.899 1.841 5.663 1.00 0.41 C ATOM 1672 C VAL A 109 13.549 2.827 4.700 1.00 0.43 C ATOM 1673 O VAL A 109 13.359 4.036 4.828 1.00 0.46 O ATOM 1674 CB VAL A 109 11.438 1.561 5.231 1.00 0.39 C ATOM 1675 CG1 VAL A 109 11.377 1.059 3.799 1.00 0.42 C ATOM 1676 CG2 VAL A 109 10.778 0.558 6.165 1.00 0.43 C ATOM 0 H VAL A 109 12.494 3.272 7.133 1.00 0.42 H new ATOM 0 HA VAL A 109 13.444 0.897 5.640 1.00 0.41 H new ATOM 0 HB VAL A 109 10.892 2.503 5.289 1.00 0.39 H new ATOM 0 HG11 VAL A 109 10.339 0.871 3.523 1.00 0.42 H new ATOM 0 HG12 VAL A 109 11.799 1.810 3.132 1.00 0.42 H new ATOM 0 HG13 VAL A 109 11.949 0.135 3.713 1.00 0.42 H new ATOM 0 HG21 VAL A 109 9.753 0.378 5.840 1.00 0.43 H new ATOM 0 HG22 VAL A 109 11.335 -0.379 6.145 1.00 0.43 H new ATOM 0 HG23 VAL A 109 10.773 0.955 7.180 1.00 0.43 H new ATOM 1686 N ASP A 110 14.332 2.323 3.754 1.00 0.44 N ATOM 1687 CA ASP A 110 15.014 3.186 2.799 1.00 0.49 C ATOM 1688 C ASP A 110 14.727 2.726 1.375 1.00 0.54 C ATOM 1689 O ASP A 110 15.378 1.813 0.855 1.00 0.57 O ATOM 1690 CB ASP A 110 16.523 3.193 3.055 1.00 0.53 C ATOM 1691 CG ASP A 110 17.224 4.339 2.349 1.00 0.62 C ATOM 1692 OD1 ASP A 110 17.377 4.288 1.113 1.00 0.79 O ATOM 1693 OD2 ASP A 110 17.635 5.300 3.034 1.00 0.84 O ATOM 0 H ASP A 110 14.510 1.326 3.628 1.00 0.44 H new ATOM 0 HA ASP A 110 14.638 4.201 2.926 1.00 0.49 H new ATOM 0 HB2 ASP A 110 16.707 3.264 4.127 1.00 0.53 H new ATOM 0 HB3 ASP A 110 16.950 2.248 2.720 1.00 0.53 H new ATOM 1698 N PHE A 111 13.744 3.362 0.749 1.00 0.60 N ATOM 1699 CA PHE A 111 13.322 2.995 -0.601 1.00 0.68 C ATOM 1700 C PHE A 111 14.419 3.266 -1.628 1.00 0.77 C ATOM 1701 O PHE A 111 14.468 2.625 -2.679 1.00 0.90 O ATOM 1702 CB PHE A 111 12.045 3.753 -0.983 1.00 0.73 C ATOM 1703 CG PHE A 111 10.810 3.244 -0.291 1.00 0.66 C ATOM 1704 CD1 PHE A 111 10.621 3.453 1.066 1.00 0.62 C ATOM 1705 CD2 PHE A 111 9.842 2.547 -0.995 1.00 0.72 C ATOM 1706 CE1 PHE A 111 9.493 2.979 1.705 1.00 0.61 C ATOM 1707 CE2 PHE A 111 8.712 2.069 -0.361 1.00 0.71 C ATOM 1708 CZ PHE A 111 8.537 2.285 0.991 1.00 0.62 C ATOM 0 H PHE A 111 13.221 4.138 1.155 1.00 0.60 H new ATOM 0 HA PHE A 111 13.120 1.924 -0.604 1.00 0.68 H new ATOM 0 HB2 PHE A 111 12.175 4.809 -0.745 1.00 0.73 H new ATOM 0 HB3 PHE A 111 11.901 3.684 -2.061 1.00 0.73 H new ATOM 0 HD1 PHE A 111 11.366 3.994 1.631 1.00 0.62 H new ATOM 0 HD2 PHE A 111 9.973 2.375 -2.053 1.00 0.72 H new ATOM 0 HE1 PHE A 111 9.359 3.151 2.763 1.00 0.61 H new ATOM 0 HE2 PHE A 111 7.966 1.527 -0.923 1.00 0.71 H new ATOM 0 HZ PHE A 111 7.654 1.912 1.489 1.00 0.62 H new ATOM 1718 N GLY A 112 15.306 4.202 -1.314 1.00 0.76 N ATOM 1719 CA GLY A 112 16.375 4.545 -2.229 1.00 0.84 C ATOM 1720 C GLY A 112 17.444 3.474 -2.298 1.00 0.79 C ATOM 1721 O GLY A 112 18.028 3.238 -3.353 1.00 0.89 O ATOM 0 H GLY A 112 15.303 4.730 -0.441 1.00 0.76 H new ATOM 0 HA2 GLY A 112 15.960 4.705 -3.224 1.00 0.84 H new ATOM 0 HA3 GLY A 112 16.828 5.486 -1.918 1.00 0.84 H new ATOM 1725 N SER A 113 17.693 2.821 -1.175 1.00 0.71 N ATOM 1726 CA SER A 113 18.710 1.783 -1.104 1.00 0.70 C ATOM 1727 C SER A 113 18.088 0.401 -1.280 1.00 0.68 C ATOM 1728 O SER A 113 18.788 -0.613 -1.237 1.00 0.72 O ATOM 1729 CB SER A 113 19.434 1.869 0.239 1.00 0.71 C ATOM 1730 OG SER A 113 19.759 3.213 0.541 1.00 1.38 O ATOM 0 H SER A 113 17.203 2.992 -0.297 1.00 0.71 H new ATOM 0 HA SER A 113 19.425 1.937 -1.912 1.00 0.70 H new ATOM 0 HB2 SER A 113 18.803 1.455 1.026 1.00 0.71 H new ATOM 0 HB3 SER A 113 20.342 1.267 0.209 1.00 0.71 H new ATOM 0 HG SER A 113 18.936 3.738 0.626 1.00 1.38 H new ATOM 1736 N ARG A 114 16.762 0.376 -1.450 1.00 0.68 N ATOM 1737 CA ARG A 114 16.012 -0.864 -1.685 1.00 0.75 C ATOM 1738 C ARG A 114 16.138 -1.819 -0.498 1.00 0.68 C ATOM 1739 O ARG A 114 15.924 -3.026 -0.629 1.00 0.72 O ATOM 1740 CB ARG A 114 16.493 -1.553 -2.970 1.00 0.91 C ATOM 1741 CG ARG A 114 16.373 -0.681 -4.212 1.00 1.10 C ATOM 1742 CD ARG A 114 16.785 -1.434 -5.465 1.00 1.31 C ATOM 1743 NE ARG A 114 16.819 -0.559 -6.639 1.00 1.48 N ATOM 1744 CZ ARG A 114 16.394 -0.914 -7.851 1.00 1.92 C ATOM 1745 NH1 ARG A 114 15.891 -2.123 -8.063 1.00 2.13 N ATOM 1746 NH2 ARG A 114 16.481 -0.057 -8.858 1.00 2.70 N ATOM 0 H ARG A 114 16.179 1.212 -1.429 1.00 0.68 H new ATOM 0 HA ARG A 114 14.961 -0.599 -1.800 1.00 0.75 H new ATOM 0 HB2 ARG A 114 17.534 -1.851 -2.845 1.00 0.91 H new ATOM 0 HB3 ARG A 114 15.916 -2.466 -3.120 1.00 0.91 H new ATOM 0 HG2 ARG A 114 15.345 -0.335 -4.316 1.00 1.10 H new ATOM 0 HG3 ARG A 114 16.998 0.205 -4.097 1.00 1.10 H new ATOM 0 HD2 ARG A 114 17.769 -1.879 -5.315 1.00 1.31 H new ATOM 0 HD3 ARG A 114 16.088 -2.253 -5.642 1.00 1.31 H new ATOM 0 HE ARG A 114 17.192 0.383 -6.521 1.00 1.48 H new ATOM 0 HH11 ARG A 114 15.827 -2.791 -7.295 1.00 2.13 H new ATOM 0 HH12 ARG A 114 15.568 -2.385 -8.994 1.00 2.13 H new ATOM 0 HH21 ARG A 114 16.873 0.872 -8.704 1.00 2.70 H new ATOM 0 HH22 ARG A 114 16.156 -0.327 -9.787 1.00 2.70 H new ATOM 1760 N THR A 115 16.457 -1.268 0.661 1.00 0.60 N ATOM 1761 CA THR A 115 16.706 -2.067 1.847 1.00 0.57 C ATOM 1762 C THR A 115 15.980 -1.493 3.058 1.00 0.52 C ATOM 1763 O THR A 115 15.461 -0.374 3.013 1.00 0.53 O ATOM 1764 CB THR A 115 18.218 -2.160 2.134 1.00 0.63 C ATOM 1765 OG1 THR A 115 18.845 -0.896 1.875 1.00 0.80 O ATOM 1766 CG2 THR A 115 18.875 -3.236 1.283 1.00 0.78 C ATOM 0 H THR A 115 16.550 -0.263 0.805 1.00 0.60 H new ATOM 0 HA THR A 115 16.321 -3.069 1.658 1.00 0.57 H new ATOM 0 HB THR A 115 18.345 -2.425 3.184 1.00 0.63 H new ATOM 0 HG1 THR A 115 18.968 -0.784 0.909 1.00 0.80 H new ATOM 0 HG21 THR A 115 19.941 -3.277 1.508 1.00 0.78 H new ATOM 0 HG22 THR A 115 18.420 -4.202 1.503 1.00 0.78 H new ATOM 0 HG23 THR A 115 18.736 -3.001 0.228 1.00 0.78 H new ATOM 1774 N GLN A 116 15.936 -2.261 4.138 1.00 0.50 N ATOM 1775 CA GLN A 116 15.239 -1.842 5.340 1.00 0.51 C ATOM 1776 C GLN A 116 15.983 -2.314 6.584 1.00 0.54 C ATOM 1777 O GLN A 116 16.615 -3.371 6.577 1.00 0.55 O ATOM 1778 CB GLN A 116 13.801 -2.381 5.324 1.00 0.50 C ATOM 1779 CG GLN A 116 13.708 -3.900 5.240 1.00 0.45 C ATOM 1780 CD GLN A 116 12.300 -4.383 4.945 1.00 0.55 C ATOM 1781 OE1 GLN A 116 11.522 -3.705 4.279 1.00 1.21 O ATOM 1782 NE2 GLN A 116 11.963 -5.566 5.430 1.00 1.00 N ATOM 0 H GLN A 116 16.376 -3.179 4.204 1.00 0.50 H new ATOM 0 HA GLN A 116 15.202 -0.753 5.366 1.00 0.51 H new ATOM 0 HB2 GLN A 116 13.288 -2.045 6.225 1.00 0.50 H new ATOM 0 HB3 GLN A 116 13.271 -1.948 4.476 1.00 0.50 H new ATOM 0 HG2 GLN A 116 14.382 -4.259 4.462 1.00 0.45 H new ATOM 0 HG3 GLN A 116 14.047 -4.334 6.181 1.00 0.45 H new ATOM 0 HE21 GLN A 116 12.635 -6.102 5.979 1.00 1.00 H new ATOM 0 HE22 GLN A 116 11.031 -5.942 5.255 1.00 1.00 H new ATOM 1791 N ALA A 117 15.908 -1.522 7.648 1.00 0.62 N ATOM 1792 CA ALA A 117 16.610 -1.827 8.888 1.00 0.68 C ATOM 1793 C ALA A 117 15.763 -2.717 9.786 1.00 0.68 C ATOM 1794 O ALA A 117 16.112 -2.970 10.940 1.00 0.84 O ATOM 1795 CB ALA A 117 16.975 -0.543 9.618 1.00 0.83 C ATOM 0 H ALA A 117 15.365 -0.659 7.676 1.00 0.62 H new ATOM 0 HA ALA A 117 17.525 -2.364 8.637 1.00 0.68 H new ATOM 0 HB1 ALA A 117 17.499 -0.786 10.542 1.00 0.83 H new ATOM 0 HB2 ALA A 117 17.621 0.065 8.984 1.00 0.83 H new ATOM 0 HB3 ALA A 117 16.067 0.014 9.851 1.00 0.83 H new ATOM 1801 N ASP A 118 14.648 -3.183 9.249 1.00 0.69 N ATOM 1802 CA ASP A 118 13.745 -4.044 9.994 1.00 0.73 C ATOM 1803 C ASP A 118 13.791 -5.455 9.429 1.00 0.67 C ATOM 1804 O ASP A 118 14.297 -5.667 8.323 1.00 0.67 O ATOM 1805 CB ASP A 118 12.311 -3.506 9.929 1.00 0.81 C ATOM 1806 CG ASP A 118 11.458 -3.996 11.081 1.00 0.81 C ATOM 1807 OD1 ASP A 118 10.940 -5.130 10.994 1.00 1.07 O ATOM 1808 OD2 ASP A 118 11.290 -3.256 12.071 1.00 1.04 O ATOM 0 H ASP A 118 14.346 -2.979 8.297 1.00 0.69 H new ATOM 0 HA ASP A 118 14.064 -4.061 11.036 1.00 0.73 H new ATOM 0 HB2 ASP A 118 12.334 -2.416 9.935 1.00 0.81 H new ATOM 0 HB3 ASP A 118 11.854 -3.810 8.987 1.00 0.81 H new ATOM 1813 N ALA A 119 13.265 -6.413 10.174 1.00 0.72 N ATOM 1814 CA ALA A 119 13.208 -7.787 9.711 1.00 0.73 C ATOM 1815 C ALA A 119 12.148 -7.926 8.627 1.00 0.66 C ATOM 1816 O ALA A 119 12.379 -8.548 7.588 1.00 0.73 O ATOM 1817 CB ALA A 119 12.914 -8.729 10.872 1.00 0.91 C ATOM 0 H ALA A 119 12.871 -6.263 11.103 1.00 0.72 H new ATOM 0 HA ALA A 119 14.177 -8.058 9.290 1.00 0.73 H new ATOM 0 HB1 ALA A 119 12.875 -9.755 10.507 1.00 0.91 H new ATOM 0 HB2 ALA A 119 13.701 -8.640 11.621 1.00 0.91 H new ATOM 0 HB3 ALA A 119 11.956 -8.466 11.320 1.00 0.91 H new ATOM 1823 N LEU A 120 10.996 -7.310 8.868 1.00 0.69 N ATOM 1824 CA LEU A 120 9.870 -7.360 7.949 1.00 0.63 C ATOM 1825 C LEU A 120 8.855 -6.312 8.381 1.00 0.57 C ATOM 1826 O LEU A 120 8.463 -6.277 9.549 1.00 0.65 O ATOM 1827 CB LEU A 120 9.227 -8.751 7.959 1.00 0.73 C ATOM 1828 CG LEU A 120 8.068 -8.948 6.980 1.00 0.69 C ATOM 1829 CD1 LEU A 120 8.537 -8.770 5.547 1.00 0.89 C ATOM 1830 CD2 LEU A 120 7.440 -10.318 7.169 1.00 1.00 C ATOM 0 H LEU A 120 10.818 -6.761 9.709 1.00 0.69 H new ATOM 0 HA LEU A 120 10.214 -7.157 6.935 1.00 0.63 H new ATOM 0 HB2 LEU A 120 9.997 -9.490 7.737 1.00 0.73 H new ATOM 0 HB3 LEU A 120 8.868 -8.959 8.967 1.00 0.73 H new ATOM 0 HG LEU A 120 7.313 -8.190 7.188 1.00 0.69 H new ATOM 0 HD11 LEU A 120 7.696 -8.915 4.868 1.00 0.89 H new ATOM 0 HD12 LEU A 120 8.939 -7.765 5.418 1.00 0.89 H new ATOM 0 HD13 LEU A 120 9.313 -9.502 5.325 1.00 0.89 H new ATOM 0 HD21 LEU A 120 6.617 -10.441 6.465 1.00 1.00 H new ATOM 0 HD22 LEU A 120 8.189 -11.089 6.991 1.00 1.00 H new ATOM 0 HD23 LEU A 120 7.062 -10.408 8.188 1.00 1.00 H new ATOM 1842 N VAL A 121 8.415 -5.468 7.462 1.00 0.50 N ATOM 1843 CA VAL A 121 7.570 -4.351 7.839 1.00 0.47 C ATOM 1844 C VAL A 121 6.149 -4.526 7.297 1.00 0.39 C ATOM 1845 O VAL A 121 5.853 -4.243 6.136 1.00 0.33 O ATOM 1846 CB VAL A 121 8.193 -2.996 7.411 1.00 0.49 C ATOM 1847 CG1 VAL A 121 8.536 -2.974 5.930 1.00 0.45 C ATOM 1848 CG2 VAL A 121 7.279 -1.835 7.778 1.00 0.50 C ATOM 0 H VAL A 121 8.625 -5.534 6.466 1.00 0.50 H new ATOM 0 HA VAL A 121 7.502 -4.337 8.927 1.00 0.47 H new ATOM 0 HB VAL A 121 9.127 -2.880 7.961 1.00 0.49 H new ATOM 0 HG11 VAL A 121 8.970 -2.008 5.671 1.00 0.45 H new ATOM 0 HG12 VAL A 121 9.254 -3.764 5.711 1.00 0.45 H new ATOM 0 HG13 VAL A 121 7.631 -3.134 5.344 1.00 0.45 H new ATOM 0 HG21 VAL A 121 7.739 -0.897 7.467 1.00 0.50 H new ATOM 0 HG22 VAL A 121 6.320 -1.953 7.274 1.00 0.50 H new ATOM 0 HG23 VAL A 121 7.122 -1.822 8.857 1.00 0.50 H new ATOM 1858 N LEU A 122 5.285 -5.054 8.149 1.00 0.41 N ATOM 1859 CA LEU A 122 3.888 -5.259 7.801 1.00 0.39 C ATOM 1860 C LEU A 122 3.024 -4.250 8.549 1.00 0.42 C ATOM 1861 O LEU A 122 2.833 -4.365 9.760 1.00 0.73 O ATOM 1862 CB LEU A 122 3.455 -6.685 8.160 1.00 0.50 C ATOM 1863 CG LEU A 122 4.375 -7.806 7.657 1.00 0.51 C ATOM 1864 CD1 LEU A 122 3.844 -9.162 8.089 1.00 0.66 C ATOM 1865 CD2 LEU A 122 4.525 -7.760 6.145 1.00 0.46 C ATOM 0 H LEU A 122 5.529 -5.350 9.094 1.00 0.41 H new ATOM 0 HA LEU A 122 3.764 -5.117 6.727 1.00 0.39 H new ATOM 0 HB2 LEU A 122 3.381 -6.760 9.245 1.00 0.50 H new ATOM 0 HB3 LEU A 122 2.455 -6.853 7.760 1.00 0.50 H new ATOM 0 HG LEU A 122 5.359 -7.653 8.100 1.00 0.51 H new ATOM 0 HD11 LEU A 122 4.508 -9.946 7.724 1.00 0.66 H new ATOM 0 HD12 LEU A 122 3.796 -9.204 9.177 1.00 0.66 H new ATOM 0 HD13 LEU A 122 2.846 -9.310 7.676 1.00 0.66 H new ATOM 0 HD21 LEU A 122 5.182 -8.566 5.820 1.00 0.46 H new ATOM 0 HD22 LEU A 122 3.547 -7.879 5.679 1.00 0.46 H new ATOM 0 HD23 LEU A 122 4.953 -6.802 5.851 1.00 0.46 H new ATOM 1877 N LEU A 123 2.516 -3.261 7.835 1.00 0.24 N ATOM 1878 CA LEU A 123 1.760 -2.187 8.462 1.00 0.24 C ATOM 1879 C LEU A 123 0.259 -2.420 8.339 1.00 0.24 C ATOM 1880 O LEU A 123 -0.311 -2.348 7.247 1.00 0.25 O ATOM 1881 CB LEU A 123 2.123 -0.835 7.841 1.00 0.26 C ATOM 1882 CG LEU A 123 3.609 -0.481 7.846 1.00 0.29 C ATOM 1883 CD1 LEU A 123 3.830 0.877 7.198 1.00 0.35 C ATOM 1884 CD2 LEU A 123 4.163 -0.488 9.262 1.00 0.37 C ATOM 0 H LEU A 123 2.612 -3.178 6.823 1.00 0.24 H new ATOM 0 HA LEU A 123 2.023 -2.178 9.520 1.00 0.24 H new ATOM 0 HB2 LEU A 123 1.769 -0.823 6.810 1.00 0.26 H new ATOM 0 HB3 LEU A 123 1.581 -0.054 8.374 1.00 0.26 H new ATOM 0 HG LEU A 123 4.142 -1.236 7.269 1.00 0.29 H new ATOM 0 HD11 LEU A 123 4.893 1.116 7.209 1.00 0.35 H new ATOM 0 HD12 LEU A 123 3.474 0.851 6.168 1.00 0.35 H new ATOM 0 HD13 LEU A 123 3.281 1.638 7.752 1.00 0.35 H new ATOM 0 HD21 LEU A 123 5.223 -0.233 9.239 1.00 0.37 H new ATOM 0 HD22 LEU A 123 3.627 0.244 9.866 1.00 0.37 H new ATOM 0 HD23 LEU A 123 4.038 -1.480 9.697 1.00 0.37 H new ATOM 1896 N GLY A 124 -0.367 -2.705 9.469 1.00 0.27 N ATOM 1897 CA GLY A 124 -1.806 -2.846 9.508 1.00 0.28 C ATOM 1898 C GLY A 124 -2.449 -1.748 10.325 1.00 0.30 C ATOM 1899 O GLY A 124 -1.752 -0.995 11.012 1.00 0.34 O ATOM 0 H GLY A 124 0.100 -2.842 10.366 1.00 0.27 H new ATOM 0 HA2 GLY A 124 -2.202 -2.825 8.493 1.00 0.28 H new ATOM 0 HA3 GLY A 124 -2.066 -3.816 9.932 1.00 0.28 H new ATOM 1903 N GLY A 125 -3.771 -1.653 10.257 1.00 0.31 N ATOM 1904 CA GLY A 125 -4.485 -0.642 11.018 1.00 0.36 C ATOM 1905 C GLY A 125 -4.366 0.750 10.425 1.00 0.35 C ATOM 1906 O GLY A 125 -4.583 1.744 11.119 1.00 0.40 O ATOM 0 H GLY A 125 -4.363 -2.258 9.688 1.00 0.31 H new ATOM 0 HA2 GLY A 125 -5.538 -0.916 11.075 1.00 0.36 H new ATOM 0 HA3 GLY A 125 -4.103 -0.628 12.039 1.00 0.36 H new ATOM 1910 N LEU A 126 -4.009 0.832 9.151 1.00 0.31 N ATOM 1911 CA LEU A 126 -3.905 2.121 8.479 1.00 0.31 C ATOM 1912 C LEU A 126 -5.283 2.686 8.157 1.00 0.33 C ATOM 1913 O LEU A 126 -6.240 1.944 7.933 1.00 0.35 O ATOM 1914 CB LEU A 126 -3.074 2.018 7.195 1.00 0.31 C ATOM 1915 CG LEU A 126 -1.558 2.146 7.368 1.00 0.34 C ATOM 1916 CD1 LEU A 126 -1.000 0.999 8.192 1.00 0.38 C ATOM 1917 CD2 LEU A 126 -0.879 2.205 6.007 1.00 0.39 C ATOM 0 H LEU A 126 -3.788 0.027 8.565 1.00 0.31 H new ATOM 0 HA LEU A 126 -3.399 2.799 9.166 1.00 0.31 H new ATOM 0 HB2 LEU A 126 -3.287 1.059 6.723 1.00 0.31 H new ATOM 0 HB3 LEU A 126 -3.408 2.793 6.506 1.00 0.31 H new ATOM 0 HG LEU A 126 -1.354 3.072 7.906 1.00 0.34 H new ATOM 0 HD11 LEU A 126 0.078 1.118 8.297 1.00 0.38 H new ATOM 0 HD12 LEU A 126 -1.463 1.001 9.179 1.00 0.38 H new ATOM 0 HD13 LEU A 126 -1.214 0.054 7.692 1.00 0.38 H new ATOM 0 HD21 LEU A 126 0.199 2.296 6.142 1.00 0.39 H new ATOM 0 HD22 LEU A 126 -1.099 1.294 5.451 1.00 0.39 H new ATOM 0 HD23 LEU A 126 -1.249 3.067 5.453 1.00 0.39 H new ATOM 1929 N ASP A 127 -5.365 4.006 8.128 1.00 0.35 N ATOM 1930 CA ASP A 127 -6.611 4.705 7.838 1.00 0.41 C ATOM 1931 C ASP A 127 -6.374 5.665 6.686 1.00 0.39 C ATOM 1932 O ASP A 127 -5.237 5.838 6.244 1.00 0.45 O ATOM 1933 CB ASP A 127 -7.104 5.486 9.066 1.00 0.53 C ATOM 1934 CG ASP A 127 -7.469 4.595 10.236 1.00 0.82 C ATOM 1935 OD1 ASP A 127 -8.630 4.144 10.303 1.00 1.02 O ATOM 1936 OD2 ASP A 127 -6.592 4.322 11.087 1.00 1.11 O ATOM 0 H ASP A 127 -4.573 4.624 8.304 1.00 0.35 H new ATOM 0 HA ASP A 127 -7.374 3.973 7.573 1.00 0.41 H new ATOM 0 HB2 ASP A 127 -6.328 6.185 9.379 1.00 0.53 H new ATOM 0 HB3 ASP A 127 -7.974 6.080 8.785 1.00 0.53 H new ATOM 1941 N PHE A 128 -7.429 6.298 6.200 1.00 0.39 N ATOM 1942 CA PHE A 128 -7.294 7.229 5.090 1.00 0.42 C ATOM 1943 C PHE A 128 -7.275 8.667 5.585 1.00 0.49 C ATOM 1944 O PHE A 128 -7.851 9.567 4.968 1.00 0.61 O ATOM 1945 CB PHE A 128 -8.397 7.011 4.053 1.00 0.48 C ATOM 1946 CG PHE A 128 -8.085 5.887 3.099 1.00 0.45 C ATOM 1947 CD1 PHE A 128 -8.336 4.569 3.445 1.00 0.55 C ATOM 1948 CD2 PHE A 128 -7.521 6.153 1.861 1.00 0.49 C ATOM 1949 CE1 PHE A 128 -8.035 3.538 2.575 1.00 0.61 C ATOM 1950 CE2 PHE A 128 -7.215 5.127 0.988 1.00 0.55 C ATOM 1951 CZ PHE A 128 -7.473 3.817 1.344 1.00 0.58 C ATOM 0 H PHE A 128 -8.380 6.187 6.552 1.00 0.39 H new ATOM 0 HA PHE A 128 -6.339 7.035 4.601 1.00 0.42 H new ATOM 0 HB2 PHE A 128 -9.335 6.797 4.566 1.00 0.48 H new ATOM 0 HB3 PHE A 128 -8.545 7.931 3.488 1.00 0.48 H new ATOM 0 HD1 PHE A 128 -8.773 4.344 4.407 1.00 0.55 H new ATOM 0 HD2 PHE A 128 -7.318 7.175 1.575 1.00 0.49 H new ATOM 0 HE1 PHE A 128 -8.239 2.516 2.857 1.00 0.61 H new ATOM 0 HE2 PHE A 128 -6.774 5.349 0.027 1.00 0.55 H new ATOM 0 HZ PHE A 128 -7.236 3.014 0.662 1.00 0.58 H new ATOM 1961 N GLU A 129 -6.606 8.871 6.709 1.00 0.52 N ATOM 1962 CA GLU A 129 -6.382 10.204 7.240 1.00 0.63 C ATOM 1963 C GLU A 129 -5.190 10.838 6.536 1.00 0.64 C ATOM 1964 O GLU A 129 -4.062 10.354 6.651 1.00 0.80 O ATOM 1965 CB GLU A 129 -6.128 10.153 8.749 1.00 0.83 C ATOM 1966 CG GLU A 129 -7.314 9.656 9.559 1.00 1.58 C ATOM 1967 CD GLU A 129 -8.534 10.540 9.416 1.00 2.21 C ATOM 1968 OE1 GLU A 129 -8.475 11.721 9.812 1.00 2.54 O ATOM 1969 OE2 GLU A 129 -9.567 10.052 8.918 1.00 3.00 O ATOM 0 H GLU A 129 -6.206 8.122 7.275 1.00 0.52 H new ATOM 0 HA GLU A 129 -7.274 10.805 7.063 1.00 0.63 H new ATOM 0 HB2 GLU A 129 -5.273 9.505 8.941 1.00 0.83 H new ATOM 0 HB3 GLU A 129 -5.857 11.150 9.095 1.00 0.83 H new ATOM 0 HG2 GLU A 129 -7.565 8.644 9.243 1.00 1.58 H new ATOM 0 HG3 GLU A 129 -7.032 9.601 10.611 1.00 1.58 H new ATOM 1976 N ALA A 130 -5.444 11.904 5.796 1.00 0.73 N ATOM 1977 CA ALA A 130 -4.394 12.590 5.067 1.00 0.92 C ATOM 1978 C ALA A 130 -3.687 13.591 5.969 1.00 1.47 C ATOM 1979 O ALA A 130 -4.157 14.741 6.070 1.00 1.77 O ATOM 1980 CB ALA A 130 -4.965 13.282 3.838 1.00 0.97 C ATOM 1981 OXT ALA A 130 -2.670 13.218 6.587 1.00 2.26 O ATOM 0 H ALA A 130 -6.372 12.313 5.685 1.00 0.73 H new ATOM 0 HA ALA A 130 -3.663 11.853 4.736 1.00 0.92 H new ATOM 0 HB1 ALA A 130 -4.164 13.792 3.302 1.00 0.97 H new ATOM 0 HB2 ALA A 130 -5.425 12.541 3.184 1.00 0.97 H new ATOM 0 HB3 ALA A 130 -5.716 14.010 4.146 1.00 0.97 H new TER 1987 ALA A 130