USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 535 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 158:sc= 0.485 USER MOD Set 1.2: A 48 THR OG1 : rot 79:sc= 1.65 USER MOD Single : A 6 THR OG1 : rot 128:sc= 1.24 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00489 USER MOD Single : A 17 SER OG : rot 108:sc= 1.26 USER MOD Single : A 42 SER OG : rot 180:sc= 0.183 USER MOD Single : A 46 MET CE :methyl -158:sc= -0.147 (180deg=-0.743) USER MOD Single : A 54 SER OG : rot 79:sc= 1.02 USER MOD Single : A 56 TYR OH : rot 30:sc= 0.787 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -36:sc= -0.076 USER MOD Single : A 79 ASN : amide:sc= 1.53 K(o=1.5,f=-8.6!) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 11.710 -9.254 -0.222 1.00 1.02 N ATOM 45 CA LEU A 4 10.737 -8.887 -1.209 1.00 0.89 C ATOM 46 C LEU A 4 9.361 -9.081 -0.638 1.00 0.82 C ATOM 47 O LEU A 4 9.059 -10.122 -0.040 1.00 1.00 O ATOM 48 CB LEU A 4 10.914 -9.709 -2.500 1.00 0.93 C ATOM 49 CG LEU A 4 12.246 -9.524 -3.248 1.00 1.05 C ATOM 50 CD1 LEU A 4 12.319 -10.447 -4.450 1.00 1.31 C ATOM 51 CD2 LEU A 4 12.420 -8.075 -3.687 1.00 1.09 C ATOM 0 HA LEU A 4 10.877 -7.838 -1.472 1.00 0.89 H new ATOM 0 HB2 LEU A 4 10.805 -10.765 -2.251 1.00 0.93 H new ATOM 0 HB3 LEU A 4 10.101 -9.456 -3.181 1.00 0.93 H new ATOM 0 HG LEU A 4 13.055 -9.780 -2.564 1.00 1.05 H new ATOM 0 HD11 LEU A 4 13.269 -10.300 -4.964 1.00 1.31 H new ATOM 0 HD12 LEU A 4 12.242 -11.483 -4.119 1.00 1.31 H new ATOM 0 HD13 LEU A 4 11.499 -10.222 -5.132 1.00 1.31 H new ATOM 0 HD21 LEU A 4 13.368 -7.966 -4.214 1.00 1.09 H new ATOM 0 HD22 LEU A 4 11.602 -7.795 -4.350 1.00 1.09 H new ATOM 0 HD23 LEU A 4 12.415 -7.426 -2.811 1.00 1.09 H new ATOM 63 N LEU A 5 8.556 -8.091 -0.789 1.00 0.69 N ATOM 64 CA LEU A 5 7.223 -8.087 -0.295 1.00 0.62 C ATOM 65 C LEU A 5 6.322 -8.482 -1.467 1.00 0.51 C ATOM 66 O LEU A 5 6.386 -7.877 -2.545 1.00 0.50 O ATOM 67 CB LEU A 5 6.918 -6.658 0.243 1.00 0.64 C ATOM 68 CG LEU A 5 5.672 -6.435 1.124 1.00 0.71 C ATOM 69 CD1 LEU A 5 5.696 -5.043 1.713 1.00 1.14 C ATOM 70 CD2 LEU A 5 4.410 -6.586 0.336 1.00 1.01 C ATOM 0 H LEU A 5 8.814 -7.233 -1.276 1.00 0.69 H new ATOM 0 HA LEU A 5 7.060 -8.787 0.524 1.00 0.62 H new ATOM 0 HB2 LEU A 5 7.787 -6.330 0.814 1.00 0.64 H new ATOM 0 HB3 LEU A 5 6.834 -5.995 -0.618 1.00 0.64 H new ATOM 0 HG LEU A 5 5.694 -7.187 1.913 1.00 0.71 H new ATOM 0 HD11 LEU A 5 4.812 -4.895 2.333 1.00 1.14 H new ATOM 0 HD12 LEU A 5 6.592 -4.921 2.322 1.00 1.14 H new ATOM 0 HD13 LEU A 5 5.702 -4.308 0.909 1.00 1.14 H new ATOM 0 HD21 LEU A 5 3.552 -6.422 0.988 1.00 1.01 H new ATOM 0 HD22 LEU A 5 4.396 -5.855 -0.472 1.00 1.01 H new ATOM 0 HD23 LEU A 5 4.361 -7.591 -0.083 1.00 1.01 H new ATOM 82 N THR A 6 5.540 -9.505 -1.279 1.00 0.53 N ATOM 83 CA THR A 6 4.676 -9.996 -2.314 1.00 0.54 C ATOM 84 C THR A 6 3.232 -9.522 -2.107 1.00 0.47 C ATOM 85 O THR A 6 2.900 -8.976 -1.045 1.00 0.45 O ATOM 86 CB THR A 6 4.746 -11.527 -2.358 1.00 0.74 C ATOM 87 OG1 THR A 6 4.628 -12.032 -1.009 1.00 0.84 O ATOM 88 CG2 THR A 6 6.063 -11.997 -2.963 1.00 1.01 C ATOM 0 H THR A 6 5.483 -10.024 -0.402 1.00 0.53 H new ATOM 0 HA THR A 6 5.015 -9.595 -3.269 1.00 0.54 H new ATOM 0 HB THR A 6 3.934 -11.902 -2.981 1.00 0.74 H new ATOM 0 HG1 THR A 6 3.922 -12.711 -0.974 1.00 0.84 H new ATOM 0 HG21 THR A 6 6.086 -13.087 -2.982 1.00 1.01 H new ATOM 0 HG22 THR A 6 6.154 -11.614 -3.980 1.00 1.01 H new ATOM 0 HG23 THR A 6 6.893 -11.627 -2.361 1.00 1.01 H new ATOM 96 N THR A 7 2.377 -9.750 -3.094 1.00 0.53 N ATOM 97 CA THR A 7 0.980 -9.341 -3.033 1.00 0.55 C ATOM 98 C THR A 7 0.213 -9.830 -1.794 1.00 0.49 C ATOM 99 O THR A 7 -0.583 -9.088 -1.240 1.00 0.47 O ATOM 100 CB THR A 7 0.220 -9.644 -4.337 1.00 0.73 C ATOM 101 OG1 THR A 7 0.587 -10.941 -4.870 1.00 0.83 O ATOM 102 CG2 THR A 7 0.487 -8.563 -5.363 1.00 0.95 C ATOM 0 H THR A 7 2.632 -10.224 -3.960 1.00 0.53 H new ATOM 0 HA THR A 7 1.026 -8.258 -2.920 1.00 0.55 H new ATOM 0 HB THR A 7 -0.846 -9.662 -4.108 1.00 0.73 H new ATOM 0 HG1 THR A 7 0.088 -11.108 -5.697 1.00 0.83 H new ATOM 0 HG21 THR A 7 -0.056 -8.790 -6.280 1.00 0.95 H new ATOM 0 HG22 THR A 7 0.155 -7.601 -4.973 1.00 0.95 H new ATOM 0 HG23 THR A 7 1.555 -8.519 -5.576 1.00 0.95 H new ATOM 110 N ASP A 8 0.487 -11.050 -1.351 1.00 0.57 N ATOM 111 CA ASP A 8 -0.157 -11.610 -0.142 1.00 0.61 C ATOM 112 C ASP A 8 0.171 -10.777 1.101 1.00 0.54 C ATOM 113 O ASP A 8 -0.709 -10.472 1.914 1.00 0.53 O ATOM 114 CB ASP A 8 0.224 -13.104 0.078 1.00 0.81 C ATOM 115 CG ASP A 8 1.723 -13.359 0.229 1.00 1.41 C ATOM 116 OD1 ASP A 8 2.432 -13.403 -0.797 1.00 1.86 O ATOM 117 OD2 ASP A 8 2.223 -13.512 1.360 1.00 2.14 O ATOM 0 H ASP A 8 1.149 -11.681 -1.802 1.00 0.57 H new ATOM 0 HA ASP A 8 -1.234 -11.565 -0.305 1.00 0.61 H new ATOM 0 HB2 ASP A 8 -0.286 -13.468 0.970 1.00 0.81 H new ATOM 0 HB3 ASP A 8 -0.148 -13.689 -0.763 1.00 0.81 H new ATOM 122 N ASP A 9 1.426 -10.374 1.212 1.00 0.55 N ATOM 123 CA ASP A 9 1.905 -9.575 2.344 1.00 0.57 C ATOM 124 C ASP A 9 1.303 -8.173 2.257 1.00 0.50 C ATOM 125 O ASP A 9 0.784 -7.627 3.245 1.00 0.57 O ATOM 126 CB ASP A 9 3.445 -9.481 2.314 1.00 0.65 C ATOM 127 CG ASP A 9 4.055 -8.921 3.595 1.00 1.13 C ATOM 128 OD1 ASP A 9 3.822 -7.714 3.901 1.00 1.61 O ATOM 129 OD2 ASP A 9 4.730 -9.655 4.325 1.00 1.61 O ATOM 0 H ASP A 9 2.147 -10.588 0.523 1.00 0.55 H new ATOM 0 HA ASP A 9 1.600 -10.051 3.276 1.00 0.57 H new ATOM 0 HB2 ASP A 9 3.856 -10.474 2.131 1.00 0.65 H new ATOM 0 HB3 ASP A 9 3.745 -8.852 1.475 1.00 0.65 H new ATOM 134 N LEU A 10 1.312 -7.635 1.037 1.00 0.43 N ATOM 135 CA LEU A 10 0.839 -6.285 0.759 1.00 0.43 C ATOM 136 C LEU A 10 -0.650 -6.181 1.018 1.00 0.41 C ATOM 137 O LEU A 10 -1.106 -5.234 1.653 1.00 0.47 O ATOM 138 CB LEU A 10 1.139 -5.900 -0.701 1.00 0.46 C ATOM 139 CG LEU A 10 0.875 -4.440 -1.088 1.00 0.57 C ATOM 140 CD1 LEU A 10 1.821 -3.501 -0.347 1.00 0.88 C ATOM 141 CD2 LEU A 10 1.000 -4.250 -2.589 1.00 0.79 C ATOM 0 H LEU A 10 1.650 -8.129 0.211 1.00 0.43 H new ATOM 0 HA LEU A 10 1.363 -5.597 1.423 1.00 0.43 H new ATOM 0 HB2 LEU A 10 2.186 -6.124 -0.905 1.00 0.46 H new ATOM 0 HB3 LEU A 10 0.543 -6.539 -1.352 1.00 0.46 H new ATOM 0 HG LEU A 10 -0.146 -4.193 -0.796 1.00 0.57 H new ATOM 0 HD11 LEU A 10 1.614 -2.471 -0.639 1.00 0.88 H new ATOM 0 HD12 LEU A 10 1.674 -3.610 0.728 1.00 0.88 H new ATOM 0 HD13 LEU A 10 2.852 -3.749 -0.600 1.00 0.88 H new ATOM 0 HD21 LEU A 10 0.809 -3.207 -2.841 1.00 0.79 H new ATOM 0 HD22 LEU A 10 2.006 -4.522 -2.908 1.00 0.79 H new ATOM 0 HD23 LEU A 10 0.275 -4.885 -3.098 1.00 0.79 H new ATOM 153 N ARG A 11 -1.396 -7.161 0.528 1.00 0.39 N ATOM 154 CA ARG A 11 -2.839 -7.234 0.712 1.00 0.44 C ATOM 155 C ARG A 11 -3.196 -7.099 2.172 1.00 0.44 C ATOM 156 O ARG A 11 -4.038 -6.290 2.536 1.00 0.48 O ATOM 157 CB ARG A 11 -3.377 -8.540 0.148 1.00 0.52 C ATOM 158 CG ARG A 11 -4.876 -8.704 0.254 1.00 0.70 C ATOM 159 CD ARG A 11 -5.325 -9.927 -0.502 1.00 0.85 C ATOM 160 NE ARG A 11 -4.663 -11.145 -0.039 1.00 1.22 N ATOM 161 CZ ARG A 11 -4.351 -12.187 -0.822 1.00 1.67 C ATOM 162 NH1 ARG A 11 -4.543 -12.112 -2.144 1.00 2.17 N ATOM 163 NH2 ARG A 11 -3.811 -13.280 -0.293 1.00 2.23 N ATOM 0 H ARG A 11 -1.013 -7.936 -0.014 1.00 0.39 H new ATOM 0 HA ARG A 11 -3.299 -6.407 0.171 1.00 0.44 H new ATOM 0 HB2 ARG A 11 -3.091 -8.612 -0.901 1.00 0.52 H new ATOM 0 HB3 ARG A 11 -2.897 -9.369 0.667 1.00 0.52 H new ATOM 0 HG2 ARG A 11 -5.166 -8.789 1.301 1.00 0.70 H new ATOM 0 HG3 ARG A 11 -5.374 -7.820 -0.144 1.00 0.70 H new ATOM 0 HD2 ARG A 11 -6.404 -10.041 -0.395 1.00 0.85 H new ATOM 0 HD3 ARG A 11 -5.123 -9.788 -1.564 1.00 0.85 H new ATOM 0 HE ARG A 11 -4.421 -11.206 0.950 1.00 1.22 H new ATOM 0 HH11 ARG A 11 -4.927 -11.262 -2.556 1.00 2.17 H new ATOM 0 HH12 ARG A 11 -4.305 -12.905 -2.740 1.00 2.17 H new ATOM 0 HH21 ARG A 11 -3.633 -13.327 0.710 1.00 2.23 H new ATOM 0 HH22 ARG A 11 -3.574 -14.072 -0.890 1.00 2.23 H new ATOM 177 N ARG A 12 -2.519 -7.879 2.996 1.00 0.47 N ATOM 178 CA ARG A 12 -2.706 -7.849 4.434 1.00 0.54 C ATOM 179 C ARG A 12 -2.439 -6.478 5.020 1.00 0.54 C ATOM 180 O ARG A 12 -3.241 -5.969 5.794 1.00 0.62 O ATOM 181 CB ARG A 12 -1.828 -8.869 5.108 1.00 0.64 C ATOM 182 CG ARG A 12 -2.312 -10.292 4.979 1.00 1.04 C ATOM 183 CD ARG A 12 -1.302 -11.235 5.576 1.00 1.27 C ATOM 184 NE ARG A 12 -0.852 -10.785 6.904 1.00 1.78 N ATOM 185 CZ ARG A 12 0.434 -10.752 7.269 1.00 2.34 C ATOM 186 NH1 ARG A 12 1.349 -11.296 6.476 1.00 2.59 N ATOM 187 NH2 ARG A 12 0.801 -10.201 8.426 1.00 3.25 N ATOM 0 H ARG A 12 -1.821 -8.554 2.684 1.00 0.47 H new ATOM 0 HA ARG A 12 -3.752 -8.093 4.619 1.00 0.54 H new ATOM 0 HB2 ARG A 12 -0.824 -8.800 4.688 1.00 0.64 H new ATOM 0 HB3 ARG A 12 -1.749 -8.620 6.166 1.00 0.64 H new ATOM 0 HG2 ARG A 12 -3.271 -10.406 5.484 1.00 1.04 H new ATOM 0 HG3 ARG A 12 -2.474 -10.536 3.929 1.00 1.04 H new ATOM 0 HD2 ARG A 12 -1.738 -12.231 5.658 1.00 1.27 H new ATOM 0 HD3 ARG A 12 -0.443 -11.317 4.910 1.00 1.27 H new ATOM 0 HE ARG A 12 -1.556 -10.484 7.578 1.00 1.78 H new ATOM 0 HH11 ARG A 12 1.068 -11.733 5.598 1.00 2.59 H new ATOM 0 HH12 ARG A 12 2.333 -11.277 6.744 1.00 2.59 H new ATOM 0 HH21 ARG A 12 0.097 -9.798 9.045 1.00 3.25 H new ATOM 0 HH22 ARG A 12 1.785 -10.182 8.692 1.00 3.25 H new ATOM 201 N ALA A 13 -1.338 -5.865 4.608 1.00 0.52 N ATOM 202 CA ALA A 13 -0.950 -4.564 5.129 1.00 0.59 C ATOM 203 C ALA A 13 -2.015 -3.521 4.813 1.00 0.59 C ATOM 204 O ALA A 13 -2.394 -2.728 5.680 1.00 0.69 O ATOM 205 CB ALA A 13 0.405 -4.144 4.568 1.00 0.66 C ATOM 0 H ALA A 13 -0.698 -6.249 3.913 1.00 0.52 H new ATOM 0 HA ALA A 13 -0.860 -4.640 6.213 1.00 0.59 H new ATOM 0 HB1 ALA A 13 0.678 -3.168 4.969 1.00 0.66 H new ATOM 0 HB2 ALA A 13 1.160 -4.877 4.852 1.00 0.66 H new ATOM 0 HB3 ALA A 13 0.347 -4.086 3.481 1.00 0.66 H new ATOM 211 N LEU A 14 -2.506 -3.536 3.588 1.00 0.52 N ATOM 212 CA LEU A 14 -3.567 -2.666 3.174 1.00 0.55 C ATOM 213 C LEU A 14 -4.888 -2.981 3.891 1.00 0.58 C ATOM 214 O LEU A 14 -5.457 -2.117 4.538 1.00 0.68 O ATOM 215 CB LEU A 14 -3.752 -2.768 1.659 1.00 0.52 C ATOM 216 CG LEU A 14 -2.795 -1.974 0.747 1.00 0.56 C ATOM 217 CD1 LEU A 14 -3.103 -0.490 0.791 1.00 1.30 C ATOM 218 CD2 LEU A 14 -1.327 -2.192 1.086 1.00 1.05 C ATOM 0 H LEU A 14 -2.171 -4.160 2.854 1.00 0.52 H new ATOM 0 HA LEU A 14 -3.288 -1.648 3.446 1.00 0.55 H new ATOM 0 HB2 LEU A 14 -3.674 -3.820 1.385 1.00 0.52 H new ATOM 0 HB3 LEU A 14 -4.769 -2.453 1.427 1.00 0.52 H new ATOM 0 HG LEU A 14 -2.963 -2.357 -0.260 1.00 0.56 H new ATOM 0 HD11 LEU A 14 -2.413 0.044 0.139 1.00 1.30 H new ATOM 0 HD12 LEU A 14 -4.126 -0.320 0.454 1.00 1.30 H new ATOM 0 HD13 LEU A 14 -2.993 -0.126 1.812 1.00 1.30 H new ATOM 0 HD21 LEU A 14 -0.706 -1.606 0.408 1.00 1.05 H new ATOM 0 HD22 LEU A 14 -1.140 -1.878 2.113 1.00 1.05 H new ATOM 0 HD23 LEU A 14 -1.082 -3.249 0.980 1.00 1.05 H new ATOM 230 N VAL A 15 -5.333 -4.228 3.814 1.00 0.57 N ATOM 231 CA VAL A 15 -6.668 -4.616 4.300 1.00 0.66 C ATOM 232 C VAL A 15 -6.826 -4.507 5.840 1.00 0.72 C ATOM 233 O VAL A 15 -7.942 -4.339 6.344 1.00 0.91 O ATOM 234 CB VAL A 15 -7.105 -6.035 3.772 1.00 0.70 C ATOM 235 CG1 VAL A 15 -6.398 -7.171 4.494 1.00 0.88 C ATOM 236 CG2 VAL A 15 -8.611 -6.219 3.782 1.00 1.01 C ATOM 0 H VAL A 15 -4.793 -4.998 3.419 1.00 0.57 H new ATOM 0 HA VAL A 15 -7.352 -3.881 3.876 1.00 0.66 H new ATOM 0 HB VAL A 15 -6.786 -6.076 2.731 1.00 0.70 H new ATOM 0 HG11 VAL A 15 -6.737 -8.125 4.090 1.00 0.88 H new ATOM 0 HG12 VAL A 15 -5.321 -7.078 4.352 1.00 0.88 H new ATOM 0 HG13 VAL A 15 -6.628 -7.125 5.558 1.00 0.88 H new ATOM 0 HG21 VAL A 15 -8.859 -7.213 3.409 1.00 1.01 H new ATOM 0 HG22 VAL A 15 -8.984 -6.110 4.800 1.00 1.01 H new ATOM 0 HG23 VAL A 15 -9.074 -5.466 3.144 1.00 1.01 H new ATOM 246 N GLU A 16 -5.724 -4.566 6.579 1.00 0.66 N ATOM 247 CA GLU A 16 -5.806 -4.417 8.032 1.00 0.79 C ATOM 248 C GLU A 16 -5.807 -2.953 8.415 1.00 0.83 C ATOM 249 O GLU A 16 -6.230 -2.577 9.511 1.00 0.98 O ATOM 250 CB GLU A 16 -4.678 -5.142 8.748 1.00 0.94 C ATOM 251 CG GLU A 16 -4.646 -6.629 8.500 1.00 1.08 C ATOM 252 CD GLU A 16 -3.605 -7.320 9.326 1.00 1.28 C ATOM 253 OE1 GLU A 16 -2.460 -6.870 9.365 1.00 1.49 O ATOM 254 OE2 GLU A 16 -3.913 -8.357 9.936 1.00 1.71 O ATOM 0 H GLU A 16 -4.784 -4.712 6.211 1.00 0.66 H new ATOM 0 HA GLU A 16 -6.744 -4.874 8.348 1.00 0.79 H new ATOM 0 HB2 GLU A 16 -3.727 -4.712 8.434 1.00 0.94 H new ATOM 0 HB3 GLU A 16 -4.770 -4.965 9.820 1.00 0.94 H new ATOM 0 HG2 GLU A 16 -5.625 -7.054 8.723 1.00 1.08 H new ATOM 0 HG3 GLU A 16 -4.451 -6.815 7.444 1.00 1.08 H new ATOM 261 N SER A 17 -5.310 -2.131 7.531 1.00 0.77 N ATOM 262 CA SER A 17 -5.315 -0.711 7.740 1.00 0.91 C ATOM 263 C SER A 17 -6.688 -0.155 7.328 1.00 0.95 C ATOM 264 O SER A 17 -7.274 0.711 8.011 1.00 1.24 O ATOM 265 CB SER A 17 -4.168 -0.080 6.953 1.00 0.98 C ATOM 266 OG SER A 17 -2.922 -0.678 7.336 1.00 1.24 O ATOM 0 H SER A 17 -4.892 -2.427 6.649 1.00 0.77 H new ATOM 0 HA SER A 17 -5.158 -0.468 8.791 1.00 0.91 H new ATOM 0 HB2 SER A 17 -4.332 -0.215 5.884 1.00 0.98 H new ATOM 0 HB3 SER A 17 -4.137 0.994 7.137 1.00 0.98 H new ATOM 0 HG SER A 17 -2.603 -1.259 6.614 1.00 1.24 H new ATOM 272 N ALA A 18 -7.209 -0.699 6.243 1.00 0.83 N ATOM 273 CA ALA A 18 -8.513 -0.376 5.728 1.00 0.94 C ATOM 274 C ALA A 18 -8.944 -1.473 4.781 1.00 1.41 C ATOM 275 O ALA A 18 -8.331 -1.680 3.741 1.00 2.05 O ATOM 276 CB ALA A 18 -8.494 0.954 5.006 1.00 1.05 C ATOM 0 H ALA A 18 -6.717 -1.397 5.685 1.00 0.83 H new ATOM 0 HA ALA A 18 -9.217 -0.297 6.556 1.00 0.94 H new ATOM 0 HB1 ALA A 18 -9.491 1.176 4.626 1.00 1.05 H new ATOM 0 HB2 ALA A 18 -8.186 1.739 5.697 1.00 1.05 H new ATOM 0 HB3 ALA A 18 -7.791 0.907 4.174 1.00 1.05 H new ATOM 393 N GLY A 28 -8.230 -10.095 -2.476 1.00 0.95 N ATOM 394 CA GLY A 28 -8.009 -10.807 -3.706 1.00 1.09 C ATOM 395 C GLY A 28 -6.833 -10.186 -4.389 1.00 0.84 C ATOM 396 O GLY A 28 -5.759 -10.077 -3.772 1.00 1.04 O ATOM 0 HA2 GLY A 28 -7.822 -11.862 -3.508 1.00 1.09 H new ATOM 0 HA3 GLY A 28 -8.892 -10.753 -4.342 1.00 1.09 H new ATOM 400 N ASP A 29 -7.000 -9.753 -5.616 1.00 0.80 N ATOM 401 CA ASP A 29 -5.946 -9.018 -6.286 1.00 0.86 C ATOM 402 C ASP A 29 -6.394 -7.590 -6.415 1.00 0.77 C ATOM 403 O ASP A 29 -7.585 -7.321 -6.630 1.00 1.01 O ATOM 404 CB ASP A 29 -5.587 -9.573 -7.665 1.00 1.28 C ATOM 405 CG ASP A 29 -4.268 -8.988 -8.162 1.00 1.96 C ATOM 406 OD1 ASP A 29 -4.289 -7.861 -8.697 1.00 2.38 O ATOM 407 OD2 ASP A 29 -3.211 -9.657 -8.082 1.00 2.61 O ATOM 0 H ASP A 29 -7.846 -9.893 -6.169 1.00 0.80 H new ATOM 0 HA ASP A 29 -5.041 -9.110 -5.685 1.00 0.86 H new ATOM 0 HB2 ASP A 29 -5.512 -10.659 -7.616 1.00 1.28 H new ATOM 0 HB3 ASP A 29 -6.382 -9.340 -8.373 1.00 1.28 H new ATOM 412 N PHE A 30 -5.484 -6.687 -6.290 1.00 0.58 N ATOM 413 CA PHE A 30 -5.814 -5.293 -6.256 1.00 0.52 C ATOM 414 C PHE A 30 -4.813 -4.440 -7.030 1.00 0.46 C ATOM 415 O PHE A 30 -4.964 -3.230 -7.097 1.00 0.44 O ATOM 416 CB PHE A 30 -5.905 -4.839 -4.783 1.00 0.56 C ATOM 417 CG PHE A 30 -4.655 -5.119 -3.963 1.00 0.57 C ATOM 418 CD1 PHE A 30 -4.348 -6.401 -3.565 1.00 0.67 C ATOM 419 CD2 PHE A 30 -3.798 -4.091 -3.589 1.00 0.73 C ATOM 420 CE1 PHE A 30 -3.218 -6.654 -2.814 1.00 0.84 C ATOM 421 CE2 PHE A 30 -2.679 -4.341 -2.840 1.00 0.86 C ATOM 422 CZ PHE A 30 -2.366 -5.637 -2.488 1.00 0.89 C ATOM 0 H PHE A 30 -4.487 -6.888 -6.208 1.00 0.58 H new ATOM 0 HA PHE A 30 -6.777 -5.154 -6.748 1.00 0.52 H new ATOM 0 HB2 PHE A 30 -6.110 -3.769 -4.757 1.00 0.56 H new ATOM 0 HB3 PHE A 30 -6.753 -5.338 -4.313 1.00 0.56 H new ATOM 0 HD1 PHE A 30 -4.998 -7.217 -3.843 1.00 0.67 H new ATOM 0 HD2 PHE A 30 -4.018 -3.079 -3.894 1.00 0.73 H new ATOM 0 HE1 PHE A 30 -3.006 -7.660 -2.483 1.00 0.84 H new ATOM 0 HE2 PHE A 30 -2.044 -3.526 -2.526 1.00 0.86 H new ATOM 0 HZ PHE A 30 -1.450 -5.847 -1.956 1.00 0.89 H new ATOM 432 N LEU A 31 -3.789 -5.071 -7.619 1.00 0.48 N ATOM 433 CA LEU A 31 -2.739 -4.335 -8.344 1.00 0.49 C ATOM 434 C LEU A 31 -3.266 -3.478 -9.487 1.00 0.43 C ATOM 435 O LEU A 31 -2.681 -2.442 -9.824 1.00 0.46 O ATOM 436 CB LEU A 31 -1.625 -5.237 -8.855 1.00 0.62 C ATOM 437 CG LEU A 31 -0.771 -5.951 -7.814 1.00 0.73 C ATOM 438 CD1 LEU A 31 0.425 -6.574 -8.497 1.00 1.15 C ATOM 439 CD2 LEU A 31 -0.323 -4.995 -6.710 1.00 1.53 C ATOM 0 H LEU A 31 -3.663 -6.083 -7.610 1.00 0.48 H new ATOM 0 HA LEU A 31 -2.325 -3.664 -7.591 1.00 0.49 H new ATOM 0 HB2 LEU A 31 -2.072 -5.993 -9.500 1.00 0.62 H new ATOM 0 HB3 LEU A 31 -0.964 -4.636 -9.479 1.00 0.62 H new ATOM 0 HG LEU A 31 -1.370 -6.730 -7.343 1.00 0.73 H new ATOM 0 HD11 LEU A 31 1.040 -7.087 -7.757 1.00 1.15 H new ATOM 0 HD12 LEU A 31 0.085 -7.290 -9.245 1.00 1.15 H new ATOM 0 HD13 LEU A 31 1.014 -5.795 -8.982 1.00 1.15 H new ATOM 0 HD21 LEU A 31 0.284 -5.536 -5.984 1.00 1.53 H new ATOM 0 HD22 LEU A 31 0.266 -4.187 -7.145 1.00 1.53 H new ATOM 0 HD23 LEU A 31 -1.199 -4.578 -6.212 1.00 1.53 H new ATOM 451 N ASP A 32 -4.348 -3.920 -10.085 1.00 0.43 N ATOM 452 CA ASP A 32 -4.925 -3.255 -11.253 1.00 0.49 C ATOM 453 C ASP A 32 -5.991 -2.280 -10.856 1.00 0.41 C ATOM 454 O ASP A 32 -6.530 -1.561 -11.688 1.00 0.51 O ATOM 455 CB ASP A 32 -5.514 -4.280 -12.226 1.00 0.68 C ATOM 456 CG ASP A 32 -6.631 -5.116 -11.624 1.00 1.43 C ATOM 457 OD1 ASP A 32 -6.354 -6.044 -10.828 1.00 2.17 O ATOM 458 OD2 ASP A 32 -7.820 -4.816 -11.906 1.00 1.99 O ATOM 0 H ASP A 32 -4.860 -4.749 -9.784 1.00 0.43 H new ATOM 0 HA ASP A 32 -4.119 -2.711 -11.745 1.00 0.49 H new ATOM 0 HB2 ASP A 32 -5.894 -3.758 -13.104 1.00 0.68 H new ATOM 0 HB3 ASP A 32 -4.719 -4.943 -12.568 1.00 0.68 H new ATOM 463 N LEU A 33 -6.311 -2.271 -9.617 1.00 0.36 N ATOM 464 CA LEU A 33 -7.274 -1.360 -9.110 1.00 0.35 C ATOM 465 C LEU A 33 -6.568 -0.095 -8.718 1.00 0.32 C ATOM 466 O LEU A 33 -5.451 -0.145 -8.208 1.00 0.38 O ATOM 467 CB LEU A 33 -7.999 -1.972 -7.911 1.00 0.46 C ATOM 468 CG LEU A 33 -8.806 -3.239 -8.205 1.00 0.70 C ATOM 469 CD1 LEU A 33 -9.378 -3.812 -6.927 1.00 1.56 C ATOM 470 CD2 LEU A 33 -9.920 -2.942 -9.197 1.00 1.56 C ATOM 0 H LEU A 33 -5.912 -2.898 -8.919 1.00 0.36 H new ATOM 0 HA LEU A 33 -8.021 -1.139 -9.872 1.00 0.35 H new ATOM 0 HB2 LEU A 33 -7.262 -2.202 -7.142 1.00 0.46 H new ATOM 0 HB3 LEU A 33 -8.672 -1.222 -7.494 1.00 0.46 H new ATOM 0 HG LEU A 33 -8.137 -3.978 -8.646 1.00 0.70 H new ATOM 0 HD11 LEU A 33 -9.949 -4.712 -7.155 1.00 1.56 H new ATOM 0 HD12 LEU A 33 -8.566 -4.061 -6.244 1.00 1.56 H new ATOM 0 HD13 LEU A 33 -10.033 -3.076 -6.459 1.00 1.56 H new ATOM 0 HD21 LEU A 33 -10.484 -3.854 -9.395 1.00 1.56 H new ATOM 0 HD22 LEU A 33 -10.586 -2.187 -8.780 1.00 1.56 H new ATOM 0 HD23 LEU A 33 -9.489 -2.573 -10.128 1.00 1.56 H new ATOM 482 N ARG A 34 -7.165 1.024 -8.990 1.00 0.39 N ATOM 483 CA ARG A 34 -6.613 2.275 -8.552 1.00 0.49 C ATOM 484 C ARG A 34 -6.992 2.360 -7.076 1.00 0.45 C ATOM 485 O ARG A 34 -7.917 1.642 -6.654 1.00 0.50 O ATOM 486 CB ARG A 34 -7.242 3.457 -9.327 1.00 0.73 C ATOM 487 CG ARG A 34 -7.353 3.274 -10.856 1.00 0.89 C ATOM 488 CD ARG A 34 -6.013 3.036 -11.554 1.00 0.95 C ATOM 489 NE ARG A 34 -5.093 4.170 -11.426 1.00 1.79 N ATOM 490 CZ ARG A 34 -3.969 4.368 -12.138 1.00 2.53 C ATOM 491 NH1 ARG A 34 -3.581 3.502 -13.084 1.00 2.76 N ATOM 492 NH2 ARG A 34 -3.242 5.434 -11.885 1.00 3.48 N ATOM 0 H ARG A 34 -8.037 1.100 -9.514 1.00 0.39 H new ATOM 0 HA ARG A 34 -5.537 2.328 -8.719 1.00 0.49 H new ATOM 0 HB2 ARG A 34 -8.240 3.638 -8.928 1.00 0.73 H new ATOM 0 HB3 ARG A 34 -6.652 4.352 -9.129 1.00 0.73 H new ATOM 0 HG2 ARG A 34 -8.013 2.432 -11.064 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -7.822 4.160 -11.284 1.00 0.89 H new ATOM 0 HD2 ARG A 34 -5.544 2.145 -11.135 1.00 0.95 H new ATOM 0 HD3 ARG A 34 -6.190 2.836 -12.611 1.00 0.95 H new ATOM 0 HE ARG A 34 -5.328 4.877 -10.730 1.00 1.79 H new ATOM 0 HH11 ARG A 34 -4.142 2.672 -13.277 1.00 2.76 H new ATOM 0 HH12 ARG A 34 -2.725 3.673 -13.611 1.00 2.76 H new ATOM 0 HH21 ARG A 34 -3.534 6.091 -11.161 1.00 3.48 H new ATOM 0 HH22 ARG A 34 -2.386 5.604 -12.413 1.00 3.48 H new ATOM 506 N PHE A 35 -6.310 3.154 -6.281 1.00 0.43 N ATOM 507 CA PHE A 35 -6.690 3.286 -4.867 1.00 0.43 C ATOM 508 C PHE A 35 -8.173 3.632 -4.671 1.00 0.48 C ATOM 509 O PHE A 35 -8.808 3.150 -3.731 1.00 0.52 O ATOM 510 CB PHE A 35 -5.745 4.181 -4.058 1.00 0.44 C ATOM 511 CG PHE A 35 -4.422 3.513 -3.789 1.00 0.47 C ATOM 512 CD1 PHE A 35 -4.325 2.440 -2.935 1.00 0.52 C ATOM 513 CD2 PHE A 35 -3.267 3.990 -4.386 1.00 0.53 C ATOM 514 CE1 PHE A 35 -3.101 1.848 -2.675 1.00 0.58 C ATOM 515 CE2 PHE A 35 -2.045 3.406 -4.135 1.00 0.59 C ATOM 516 CZ PHE A 35 -2.006 2.231 -3.309 1.00 0.60 C ATOM 0 H PHE A 35 -5.506 3.712 -6.567 1.00 0.43 H new ATOM 0 HA PHE A 35 -6.564 2.290 -4.443 1.00 0.43 H new ATOM 0 HB2 PHE A 35 -5.577 5.112 -4.599 1.00 0.44 H new ATOM 0 HB3 PHE A 35 -6.217 4.443 -3.111 1.00 0.44 H new ATOM 0 HD1 PHE A 35 -5.215 2.054 -2.461 1.00 0.52 H new ATOM 0 HD2 PHE A 35 -3.325 4.833 -5.059 1.00 0.53 H new ATOM 0 HE1 PHE A 35 -3.039 1.059 -1.941 1.00 0.58 H new ATOM 0 HE2 PHE A 35 -1.138 3.821 -4.549 1.00 0.59 H new ATOM 0 HZ PHE A 35 -1.091 1.666 -3.207 1.00 0.60 H new ATOM 526 N GLU A 36 -8.725 4.429 -5.576 1.00 0.53 N ATOM 527 CA GLU A 36 -10.154 4.738 -5.576 1.00 0.67 C ATOM 528 C GLU A 36 -11.035 3.472 -5.691 1.00 0.73 C ATOM 529 O GLU A 36 -12.137 3.434 -5.159 1.00 0.87 O ATOM 530 CB GLU A 36 -10.540 5.717 -6.686 1.00 0.75 C ATOM 531 CG GLU A 36 -10.283 5.222 -8.100 1.00 1.26 C ATOM 532 CD GLU A 36 -11.018 6.044 -9.123 1.00 1.59 C ATOM 533 OE1 GLU A 36 -10.577 7.146 -9.444 1.00 1.90 O ATOM 534 OE2 GLU A 36 -12.095 5.601 -9.597 1.00 2.04 O ATOM 0 H GLU A 36 -8.202 4.878 -6.327 1.00 0.53 H new ATOM 0 HA GLU A 36 -10.342 5.208 -4.611 1.00 0.67 H new ATOM 0 HB2 GLU A 36 -11.599 5.954 -6.588 1.00 0.75 H new ATOM 0 HB3 GLU A 36 -9.990 6.646 -6.537 1.00 0.75 H new ATOM 0 HG2 GLU A 36 -9.213 5.255 -8.308 1.00 1.26 H new ATOM 0 HG3 GLU A 36 -10.591 4.180 -8.182 1.00 1.26 H new ATOM 541 N ASP A 37 -10.518 2.414 -6.321 1.00 0.70 N ATOM 542 CA ASP A 37 -11.325 1.216 -6.585 1.00 0.83 C ATOM 543 C ASP A 37 -11.365 0.342 -5.368 1.00 0.82 C ATOM 544 O ASP A 37 -12.287 -0.437 -5.186 1.00 0.98 O ATOM 545 CB ASP A 37 -10.801 0.385 -7.772 1.00 0.94 C ATOM 546 CG ASP A 37 -10.783 1.107 -9.100 1.00 1.41 C ATOM 547 OD1 ASP A 37 -11.811 1.678 -9.506 1.00 1.71 O ATOM 548 OD2 ASP A 37 -9.736 1.116 -9.757 1.00 2.12 O ATOM 0 H ASP A 37 -9.556 2.360 -6.655 1.00 0.70 H new ATOM 0 HA ASP A 37 -12.323 1.571 -6.841 1.00 0.83 H new ATOM 0 HB2 ASP A 37 -9.789 0.051 -7.543 1.00 0.94 H new ATOM 0 HB3 ASP A 37 -11.417 -0.509 -7.870 1.00 0.94 H new ATOM 553 N ILE A 38 -10.375 0.471 -4.520 1.00 0.68 N ATOM 554 CA ILE A 38 -10.377 -0.263 -3.270 1.00 0.70 C ATOM 555 C ILE A 38 -10.872 0.623 -2.147 1.00 0.72 C ATOM 556 O ILE A 38 -10.742 0.293 -0.967 1.00 0.82 O ATOM 557 CB ILE A 38 -9.004 -0.904 -2.911 1.00 0.69 C ATOM 558 CG1 ILE A 38 -7.878 0.145 -2.907 1.00 0.63 C ATOM 559 CG2 ILE A 38 -8.687 -2.048 -3.857 1.00 0.80 C ATOM 560 CD1 ILE A 38 -6.514 -0.409 -2.542 1.00 0.75 C ATOM 0 H ILE A 38 -9.563 1.070 -4.666 1.00 0.68 H new ATOM 0 HA ILE A 38 -11.062 -1.100 -3.406 1.00 0.70 H new ATOM 0 HB ILE A 38 -9.074 -1.307 -1.901 1.00 0.69 H new ATOM 0 HG12 ILE A 38 -7.820 0.603 -3.895 1.00 0.63 H new ATOM 0 HG13 ILE A 38 -8.136 0.937 -2.204 1.00 0.63 H new ATOM 0 HG21 ILE A 38 -7.724 -2.484 -3.591 1.00 0.80 H new ATOM 0 HG22 ILE A 38 -9.463 -2.809 -3.780 1.00 0.80 H new ATOM 0 HG23 ILE A 38 -8.646 -1.674 -4.880 1.00 0.80 H new ATOM 0 HD11 ILE A 38 -5.778 0.394 -2.563 1.00 0.75 H new ATOM 0 HD12 ILE A 38 -6.552 -0.841 -1.542 1.00 0.75 H new ATOM 0 HD13 ILE A 38 -6.230 -1.179 -3.259 1.00 0.75 H new ATOM 572 N GLY A 39 -11.498 1.734 -2.548 1.00 0.75 N ATOM 573 CA GLY A 39 -12.065 2.690 -1.630 1.00 0.87 C ATOM 574 C GLY A 39 -11.048 3.233 -0.670 1.00 0.68 C ATOM 575 O GLY A 39 -11.345 3.437 0.507 1.00 0.76 O ATOM 0 H GLY A 39 -11.619 1.985 -3.529 1.00 0.75 H new ATOM 0 HA2 GLY A 39 -12.505 3.513 -2.193 1.00 0.87 H new ATOM 0 HA3 GLY A 39 -12.873 2.218 -1.071 1.00 0.87 H new ATOM 579 N TYR A 40 -9.856 3.460 -1.152 1.00 0.55 N ATOM 580 CA TYR A 40 -8.796 3.883 -0.304 1.00 0.52 C ATOM 581 C TYR A 40 -8.661 5.377 -0.279 1.00 0.56 C ATOM 582 O TYR A 40 -8.507 6.024 -1.320 1.00 0.71 O ATOM 583 CB TYR A 40 -7.477 3.216 -0.680 1.00 0.60 C ATOM 584 CG TYR A 40 -6.882 2.476 0.476 1.00 0.55 C ATOM 585 CD1 TYR A 40 -7.297 1.198 0.792 1.00 0.75 C ATOM 586 CD2 TYR A 40 -5.862 3.040 1.223 1.00 0.62 C ATOM 587 CE1 TYR A 40 -6.714 0.500 1.820 1.00 0.94 C ATOM 588 CE2 TYR A 40 -5.281 2.355 2.261 1.00 0.79 C ATOM 589 CZ TYR A 40 -5.861 1.138 2.666 1.00 0.93 C ATOM 590 OH TYR A 40 -5.106 0.370 3.550 1.00 1.21 O ATOM 0 H TYR A 40 -9.603 3.356 -2.134 1.00 0.55 H new ATOM 0 HA TYR A 40 -9.052 3.564 0.706 1.00 0.52 H new ATOM 0 HB2 TYR A 40 -7.641 2.526 -1.508 1.00 0.60 H new ATOM 0 HB3 TYR A 40 -6.774 3.972 -1.029 1.00 0.60 H new ATOM 0 HD1 TYR A 40 -8.092 0.741 0.222 1.00 0.75 H new ATOM 0 HD2 TYR A 40 -5.518 4.036 0.985 1.00 0.62 H new ATOM 0 HE1 TYR A 40 -6.931 -0.549 1.956 1.00 0.94 H new ATOM 0 HE2 TYR A 40 -4.401 2.740 2.755 1.00 0.79 H new ATOM 0 HH TYR A 40 -4.314 0.875 3.828 1.00 1.21 H new ATOM 600 N ASP A 41 -8.717 5.910 0.912 1.00 0.58 N ATOM 601 CA ASP A 41 -8.560 7.327 1.144 1.00 0.77 C ATOM 602 C ASP A 41 -7.098 7.627 1.204 1.00 0.91 C ATOM 603 O ASP A 41 -6.325 6.813 1.714 1.00 1.78 O ATOM 604 CB ASP A 41 -9.173 7.751 2.500 1.00 0.86 C ATOM 605 CG ASP A 41 -10.676 7.638 2.592 1.00 1.62 C ATOM 606 OD1 ASP A 41 -11.192 6.504 2.715 1.00 2.34 O ATOM 607 OD2 ASP A 41 -11.377 8.662 2.486 1.00 2.07 O ATOM 0 H ASP A 41 -8.875 5.368 1.762 1.00 0.58 H new ATOM 0 HA ASP A 41 -9.064 7.865 0.341 1.00 0.77 H new ATOM 0 HB2 ASP A 41 -8.730 7.140 3.287 1.00 0.86 H new ATOM 0 HB3 ASP A 41 -8.890 8.784 2.701 1.00 0.86 H new ATOM 612 N SER A 42 -6.709 8.759 0.681 1.00 0.59 N ATOM 613 CA SER A 42 -5.335 9.220 0.734 1.00 0.58 C ATOM 614 C SER A 42 -4.761 9.197 2.163 1.00 0.51 C ATOM 615 O SER A 42 -3.600 8.825 2.375 1.00 0.51 O ATOM 616 CB SER A 42 -5.234 10.597 0.095 1.00 0.71 C ATOM 617 OG SER A 42 -6.570 11.205 0.008 1.00 0.97 O ATOM 0 H SER A 42 -7.340 9.399 0.199 1.00 0.59 H new ATOM 0 HA SER A 42 -4.719 8.526 0.163 1.00 0.58 H new ATOM 0 HB2 SER A 42 -4.572 11.233 0.683 1.00 0.71 H new ATOM 0 HB3 SER A 42 -4.796 10.515 -0.900 1.00 0.71 H new ATOM 0 HG SER A 42 -6.500 12.092 -0.402 1.00 0.97 H new ATOM 622 N LEU A 43 -5.590 9.565 3.135 1.00 0.48 N ATOM 623 CA LEU A 43 -5.201 9.546 4.536 1.00 0.51 C ATOM 624 C LEU A 43 -4.899 8.106 4.962 1.00 0.46 C ATOM 625 O LEU A 43 -3.829 7.824 5.486 1.00 0.50 O ATOM 626 CB LEU A 43 -6.322 10.192 5.402 1.00 0.60 C ATOM 627 CG LEU A 43 -6.031 10.486 6.907 1.00 0.76 C ATOM 628 CD1 LEU A 43 -5.982 9.224 7.764 1.00 1.40 C ATOM 629 CD2 LEU A 43 -4.742 11.281 7.057 1.00 1.64 C ATOM 0 H LEU A 43 -6.545 9.883 2.972 1.00 0.48 H new ATOM 0 HA LEU A 43 -4.295 10.133 4.684 1.00 0.51 H new ATOM 0 HB2 LEU A 43 -6.603 11.133 4.930 1.00 0.60 H new ATOM 0 HB3 LEU A 43 -7.193 9.539 5.355 1.00 0.60 H new ATOM 0 HG LEU A 43 -6.867 11.081 7.274 1.00 0.76 H new ATOM 0 HD11 LEU A 43 -5.776 9.495 8.799 1.00 1.40 H new ATOM 0 HD12 LEU A 43 -6.941 8.708 7.708 1.00 1.40 H new ATOM 0 HD13 LEU A 43 -5.194 8.566 7.398 1.00 1.40 H new ATOM 0 HD21 LEU A 43 -4.556 11.476 8.113 1.00 1.64 H new ATOM 0 HD22 LEU A 43 -3.912 10.710 6.642 1.00 1.64 H new ATOM 0 HD23 LEU A 43 -4.834 12.227 6.524 1.00 1.64 H new ATOM 641 N ALA A 44 -5.812 7.195 4.663 1.00 0.44 N ATOM 642 CA ALA A 44 -5.645 5.791 5.032 1.00 0.45 C ATOM 643 C ALA A 44 -4.452 5.177 4.297 1.00 0.41 C ATOM 644 O ALA A 44 -3.795 4.250 4.796 1.00 0.47 O ATOM 645 CB ALA A 44 -6.915 5.009 4.733 1.00 0.51 C ATOM 0 H ALA A 44 -6.679 7.399 4.165 1.00 0.44 H new ATOM 0 HA ALA A 44 -5.450 5.739 6.103 1.00 0.45 H new ATOM 0 HB1 ALA A 44 -6.774 3.965 5.014 1.00 0.51 H new ATOM 0 HB2 ALA A 44 -7.744 5.429 5.303 1.00 0.51 H new ATOM 0 HB3 ALA A 44 -7.139 5.071 3.668 1.00 0.51 H new ATOM 651 N LEU A 45 -4.168 5.709 3.128 1.00 0.39 N ATOM 652 CA LEU A 45 -3.061 5.263 2.325 1.00 0.42 C ATOM 653 C LEU A 45 -1.723 5.632 2.971 1.00 0.41 C ATOM 654 O LEU A 45 -0.825 4.789 3.065 1.00 0.44 O ATOM 655 CB LEU A 45 -3.175 5.820 0.902 1.00 0.50 C ATOM 656 CG LEU A 45 -2.079 5.416 -0.079 1.00 0.61 C ATOM 657 CD1 LEU A 45 -1.974 3.901 -0.161 1.00 1.19 C ATOM 658 CD2 LEU A 45 -2.379 5.994 -1.448 1.00 0.90 C ATOM 0 H LEU A 45 -4.705 6.468 2.709 1.00 0.39 H new ATOM 0 HA LEU A 45 -3.097 4.175 2.264 1.00 0.42 H new ATOM 0 HB2 LEU A 45 -4.134 5.507 0.489 1.00 0.50 H new ATOM 0 HB3 LEU A 45 -3.194 6.908 0.962 1.00 0.50 H new ATOM 0 HG LEU A 45 -1.126 5.810 0.274 1.00 0.61 H new ATOM 0 HD11 LEU A 45 -1.188 3.628 -0.865 1.00 1.19 H new ATOM 0 HD12 LEU A 45 -1.735 3.499 0.824 1.00 1.19 H new ATOM 0 HD13 LEU A 45 -2.924 3.488 -0.500 1.00 1.19 H new ATOM 0 HD21 LEU A 45 -1.594 5.703 -2.146 1.00 0.90 H new ATOM 0 HD22 LEU A 45 -3.338 5.614 -1.801 1.00 0.90 H new ATOM 0 HD23 LEU A 45 -2.422 7.081 -1.383 1.00 0.90 H new ATOM 670 N MET A 46 -1.599 6.865 3.459 1.00 0.42 N ATOM 671 CA MET A 46 -0.347 7.283 4.103 1.00 0.48 C ATOM 672 C MET A 46 -0.145 6.539 5.423 1.00 0.46 C ATOM 673 O MET A 46 0.980 6.257 5.811 1.00 0.53 O ATOM 674 CB MET A 46 -0.225 8.817 4.288 1.00 0.57 C ATOM 675 CG MET A 46 -1.223 9.449 5.245 1.00 0.58 C ATOM 676 SD MET A 46 -0.972 11.225 5.456 1.00 1.46 S ATOM 677 CE MET A 46 0.688 11.268 6.132 1.00 1.78 C ATOM 0 H MET A 46 -2.327 7.579 3.425 1.00 0.42 H new ATOM 0 HA MET A 46 0.457 7.009 3.420 1.00 0.48 H new ATOM 0 HB2 MET A 46 0.781 9.043 4.641 1.00 0.57 H new ATOM 0 HB3 MET A 46 -0.335 9.292 3.313 1.00 0.57 H new ATOM 0 HG2 MET A 46 -2.233 9.272 4.877 1.00 0.58 H new ATOM 0 HG3 MET A 46 -1.147 8.959 6.216 1.00 0.58 H new ATOM 0 HE1 MET A 46 0.839 12.206 6.667 1.00 1.78 H new ATOM 0 HE2 MET A 46 0.823 10.433 6.819 1.00 1.78 H new ATOM 0 HE3 MET A 46 1.413 11.192 5.322 1.00 1.78 H new ATOM 687 N GLU A 47 -1.250 6.180 6.081 1.00 0.44 N ATOM 688 CA GLU A 47 -1.196 5.378 7.310 1.00 0.49 C ATOM 689 C GLU A 47 -0.564 4.013 7.006 1.00 0.47 C ATOM 690 O GLU A 47 0.289 3.512 7.759 1.00 0.51 O ATOM 691 CB GLU A 47 -2.601 5.163 7.862 1.00 0.54 C ATOM 692 CG GLU A 47 -3.320 6.423 8.291 1.00 0.78 C ATOM 693 CD GLU A 47 -2.654 7.090 9.450 1.00 1.06 C ATOM 694 OE1 GLU A 47 -2.857 6.639 10.599 1.00 1.03 O ATOM 695 OE2 GLU A 47 -1.935 8.063 9.256 1.00 1.88 O ATOM 0 H GLU A 47 -2.193 6.431 5.785 1.00 0.44 H new ATOM 0 HA GLU A 47 -0.596 5.910 8.049 1.00 0.49 H new ATOM 0 HB2 GLU A 47 -3.201 4.661 7.102 1.00 0.54 H new ATOM 0 HB3 GLU A 47 -2.540 4.489 8.716 1.00 0.54 H new ATOM 0 HG2 GLU A 47 -3.364 7.117 7.452 1.00 0.78 H new ATOM 0 HG3 GLU A 47 -4.348 6.179 8.557 1.00 0.78 H new ATOM 702 N THR A 48 -0.997 3.428 5.905 1.00 0.45 N ATOM 703 CA THR A 48 -0.479 2.168 5.424 1.00 0.48 C ATOM 704 C THR A 48 1.018 2.310 5.080 1.00 0.44 C ATOM 705 O THR A 48 1.841 1.467 5.461 1.00 0.46 O ATOM 706 CB THR A 48 -1.272 1.731 4.182 1.00 0.54 C ATOM 707 OG1 THR A 48 -2.668 1.730 4.507 1.00 0.63 O ATOM 708 CG2 THR A 48 -0.865 0.331 3.750 1.00 0.65 C ATOM 0 H THR A 48 -1.729 3.823 5.314 1.00 0.45 H new ATOM 0 HA THR A 48 -0.586 1.411 6.201 1.00 0.48 H new ATOM 0 HB THR A 48 -1.065 2.423 3.366 1.00 0.54 H new ATOM 0 HG1 THR A 48 -3.010 2.648 4.482 1.00 0.63 H new ATOM 0 HG21 THR A 48 -1.438 0.041 2.869 1.00 0.65 H new ATOM 0 HG22 THR A 48 0.198 0.319 3.511 1.00 0.65 H new ATOM 0 HG23 THR A 48 -1.063 -0.372 4.559 1.00 0.65 H new ATOM 716 N ALA A 49 1.351 3.380 4.359 1.00 0.45 N ATOM 717 CA ALA A 49 2.730 3.680 3.981 1.00 0.48 C ATOM 718 C ALA A 49 3.627 3.766 5.221 1.00 0.44 C ATOM 719 O ALA A 49 4.682 3.123 5.283 1.00 0.45 O ATOM 720 CB ALA A 49 2.784 4.982 3.192 1.00 0.57 C ATOM 0 H ALA A 49 0.672 4.062 4.021 1.00 0.45 H new ATOM 0 HA ALA A 49 3.100 2.871 3.351 1.00 0.48 H new ATOM 0 HB1 ALA A 49 3.816 5.197 2.915 1.00 0.57 H new ATOM 0 HB2 ALA A 49 2.179 4.887 2.291 1.00 0.57 H new ATOM 0 HB3 ALA A 49 2.396 5.795 3.805 1.00 0.57 H new ATOM 726 N ALA A 50 3.164 4.512 6.221 1.00 0.44 N ATOM 727 CA ALA A 50 3.882 4.701 7.483 1.00 0.46 C ATOM 728 C ALA A 50 4.125 3.370 8.191 1.00 0.44 C ATOM 729 O ALA A 50 5.176 3.155 8.815 1.00 0.44 O ATOM 730 CB ALA A 50 3.095 5.635 8.384 1.00 0.56 C ATOM 0 H ALA A 50 2.273 5.007 6.180 1.00 0.44 H new ATOM 0 HA ALA A 50 4.854 5.142 7.260 1.00 0.46 H new ATOM 0 HB1 ALA A 50 3.632 5.774 9.322 1.00 0.56 H new ATOM 0 HB2 ALA A 50 2.972 6.599 7.890 1.00 0.56 H new ATOM 0 HB3 ALA A 50 2.115 5.204 8.587 1.00 0.56 H new ATOM 736 N ARG A 51 3.160 2.480 8.073 1.00 0.46 N ATOM 737 CA ARG A 51 3.245 1.150 8.648 1.00 0.48 C ATOM 738 C ARG A 51 4.392 0.368 8.011 1.00 0.46 C ATOM 739 O ARG A 51 5.214 -0.235 8.704 1.00 0.49 O ATOM 740 CB ARG A 51 1.912 0.420 8.456 1.00 0.54 C ATOM 741 CG ARG A 51 1.898 -1.018 8.924 1.00 0.78 C ATOM 742 CD ARG A 51 0.524 -1.618 8.755 1.00 0.80 C ATOM 743 NE ARG A 51 0.479 -3.028 9.133 1.00 1.68 N ATOM 744 CZ ARG A 51 -0.637 -3.693 9.460 1.00 2.07 C ATOM 745 NH1 ARG A 51 -1.757 -3.027 9.761 1.00 1.80 N ATOM 746 NH2 ARG A 51 -0.608 -5.009 9.564 1.00 3.14 N ATOM 0 H ARG A 51 2.289 2.659 7.573 1.00 0.46 H new ATOM 0 HA ARG A 51 3.447 1.232 9.716 1.00 0.48 H new ATOM 0 HB2 ARG A 51 1.135 0.968 8.989 1.00 0.54 H new ATOM 0 HB3 ARG A 51 1.650 0.445 7.398 1.00 0.54 H new ATOM 0 HG2 ARG A 51 2.626 -1.598 8.357 1.00 0.78 H new ATOM 0 HG3 ARG A 51 2.196 -1.068 9.971 1.00 0.78 H new ATOM 0 HD2 ARG A 51 -0.190 -1.060 9.361 1.00 0.80 H new ATOM 0 HD3 ARG A 51 0.211 -1.513 7.716 1.00 0.80 H new ATOM 0 HE ARG A 51 1.359 -3.543 9.149 1.00 1.68 H new ATOM 0 HH11 ARG A 51 -1.765 -2.007 9.742 1.00 1.80 H new ATOM 0 HH12 ARG A 51 -2.604 -3.539 10.009 1.00 1.80 H new ATOM 0 HH21 ARG A 51 0.262 -5.515 9.396 1.00 3.14 H new ATOM 0 HH22 ARG A 51 -1.455 -5.520 9.813 1.00 3.14 H new ATOM 760 N LEU A 52 4.470 0.417 6.695 1.00 0.44 N ATOM 761 CA LEU A 52 5.521 -0.278 5.974 1.00 0.46 C ATOM 762 C LEU A 52 6.881 0.340 6.259 1.00 0.38 C ATOM 763 O LEU A 52 7.881 -0.383 6.384 1.00 0.40 O ATOM 764 CB LEU A 52 5.228 -0.338 4.473 1.00 0.55 C ATOM 765 CG LEU A 52 4.000 -1.171 4.082 1.00 0.70 C ATOM 766 CD1 LEU A 52 3.744 -1.094 2.591 1.00 0.83 C ATOM 767 CD2 LEU A 52 4.174 -2.621 4.513 1.00 0.80 C ATOM 0 H LEU A 52 3.818 0.931 6.102 1.00 0.44 H new ATOM 0 HA LEU A 52 5.547 -1.306 6.335 1.00 0.46 H new ATOM 0 HB2 LEU A 52 5.090 0.679 4.105 1.00 0.55 H new ATOM 0 HB3 LEU A 52 6.101 -0.746 3.964 1.00 0.55 H new ATOM 0 HG LEU A 52 3.136 -0.755 4.600 1.00 0.70 H new ATOM 0 HD11 LEU A 52 2.868 -1.693 2.341 1.00 0.83 H new ATOM 0 HD12 LEU A 52 3.568 -0.057 2.305 1.00 0.83 H new ATOM 0 HD13 LEU A 52 4.611 -1.477 2.053 1.00 0.83 H new ATOM 0 HD21 LEU A 52 3.292 -3.194 4.226 1.00 0.80 H new ATOM 0 HD22 LEU A 52 5.054 -3.042 4.027 1.00 0.80 H new ATOM 0 HD23 LEU A 52 4.300 -2.666 5.595 1.00 0.80 H new ATOM 779 N GLU A 53 6.916 1.669 6.391 1.00 0.35 N ATOM 780 CA GLU A 53 8.141 2.369 6.759 1.00 0.33 C ATOM 781 C GLU A 53 8.658 1.865 8.085 1.00 0.34 C ATOM 782 O GLU A 53 9.803 1.456 8.187 1.00 0.41 O ATOM 783 CB GLU A 53 7.944 3.882 6.834 1.00 0.34 C ATOM 784 CG GLU A 53 7.727 4.554 5.501 1.00 0.35 C ATOM 785 CD GLU A 53 7.631 6.057 5.630 1.00 0.42 C ATOM 786 OE1 GLU A 53 6.538 6.564 5.966 1.00 0.59 O ATOM 787 OE2 GLU A 53 8.623 6.766 5.387 1.00 0.49 O ATOM 0 H GLU A 53 6.110 2.277 6.248 1.00 0.35 H new ATOM 0 HA GLU A 53 8.869 2.164 5.974 1.00 0.33 H new ATOM 0 HB2 GLU A 53 7.088 4.092 7.476 1.00 0.34 H new ATOM 0 HB3 GLU A 53 8.817 4.326 7.312 1.00 0.34 H new ATOM 0 HG2 GLU A 53 8.547 4.300 4.830 1.00 0.35 H new ATOM 0 HG3 GLU A 53 6.813 4.171 5.047 1.00 0.35 H new ATOM 794 N SER A 54 7.792 1.850 9.067 1.00 0.36 N ATOM 795 CA SER A 54 8.130 1.421 10.403 1.00 0.43 C ATOM 796 C SER A 54 8.537 -0.068 10.456 1.00 0.42 C ATOM 797 O SER A 54 9.500 -0.430 11.138 1.00 0.48 O ATOM 798 CB SER A 54 6.953 1.711 11.329 1.00 0.55 C ATOM 799 OG SER A 54 6.590 3.095 11.236 1.00 1.22 O ATOM 0 H SER A 54 6.820 2.139 8.961 1.00 0.36 H new ATOM 0 HA SER A 54 9.003 1.982 10.737 1.00 0.43 H new ATOM 0 HB2 SER A 54 6.103 1.084 11.059 1.00 0.55 H new ATOM 0 HB3 SER A 54 7.218 1.464 12.357 1.00 0.55 H new ATOM 0 HG SER A 54 6.054 3.239 10.428 1.00 1.22 H new ATOM 805 N ARG A 55 7.826 -0.916 9.714 1.00 0.44 N ATOM 806 CA ARG A 55 8.105 -2.352 9.719 1.00 0.51 C ATOM 807 C ARG A 55 9.488 -2.668 9.118 1.00 0.56 C ATOM 808 O ARG A 55 10.229 -3.502 9.636 1.00 0.64 O ATOM 809 CB ARG A 55 7.041 -3.139 8.923 1.00 0.60 C ATOM 810 CG ARG A 55 7.249 -4.652 9.007 1.00 0.77 C ATOM 811 CD ARG A 55 6.550 -5.419 7.896 1.00 0.95 C ATOM 812 NE ARG A 55 5.084 -5.368 7.929 1.00 1.51 N ATOM 813 CZ ARG A 55 4.297 -5.931 6.994 1.00 1.97 C ATOM 814 NH1 ARG A 55 4.822 -6.409 5.884 1.00 1.87 N ATOM 815 NH2 ARG A 55 2.995 -5.996 7.171 1.00 2.88 N ATOM 0 H ARG A 55 7.057 -0.636 9.105 1.00 0.44 H new ATOM 0 HA ARG A 55 8.084 -2.659 10.765 1.00 0.51 H new ATOM 0 HB2 ARG A 55 6.050 -2.890 9.302 1.00 0.60 H new ATOM 0 HB3 ARG A 55 7.070 -2.829 7.878 1.00 0.60 H new ATOM 0 HG2 ARG A 55 8.317 -4.867 8.971 1.00 0.77 H new ATOM 0 HG3 ARG A 55 6.884 -5.009 9.970 1.00 0.77 H new ATOM 0 HD2 ARG A 55 6.890 -5.028 6.937 1.00 0.95 H new ATOM 0 HD3 ARG A 55 6.863 -6.462 7.944 1.00 0.95 H new ATOM 0 HE ARG A 55 4.636 -4.878 8.704 1.00 1.51 H new ATOM 0 HH11 ARG A 55 5.829 -6.353 5.731 1.00 1.87 H new ATOM 0 HH12 ARG A 55 4.222 -6.835 5.178 1.00 1.87 H new ATOM 0 HH21 ARG A 55 2.576 -5.618 8.021 1.00 2.88 H new ATOM 0 HH22 ARG A 55 2.404 -6.424 6.458 1.00 2.88 H new ATOM 829 N TYR A 56 9.828 -2.006 8.030 1.00 0.56 N ATOM 830 CA TYR A 56 11.058 -2.337 7.309 1.00 0.67 C ATOM 831 C TYR A 56 12.189 -1.364 7.570 1.00 0.70 C ATOM 832 O TYR A 56 13.301 -1.549 7.055 1.00 0.86 O ATOM 833 CB TYR A 56 10.794 -2.420 5.813 1.00 0.75 C ATOM 834 CG TYR A 56 9.806 -3.483 5.426 1.00 0.85 C ATOM 835 CD1 TYR A 56 10.145 -4.822 5.508 1.00 1.09 C ATOM 836 CD2 TYR A 56 8.534 -3.149 4.988 1.00 0.82 C ATOM 837 CE1 TYR A 56 9.250 -5.801 5.161 1.00 1.24 C ATOM 838 CE2 TYR A 56 7.629 -4.120 4.642 1.00 0.96 C ATOM 839 CZ TYR A 56 7.997 -5.449 4.730 1.00 1.17 C ATOM 840 OH TYR A 56 7.100 -6.430 4.408 1.00 1.33 O ATOM 0 H TYR A 56 9.284 -1.245 7.624 1.00 0.56 H new ATOM 0 HA TYR A 56 11.377 -3.308 7.689 1.00 0.67 H new ATOM 0 HB2 TYR A 56 10.428 -1.454 5.465 1.00 0.75 H new ATOM 0 HB3 TYR A 56 11.736 -2.609 5.298 1.00 0.75 H new ATOM 0 HD1 TYR A 56 11.131 -5.100 5.851 1.00 1.09 H new ATOM 0 HD2 TYR A 56 8.251 -2.109 4.918 1.00 0.82 H new ATOM 0 HE1 TYR A 56 9.530 -6.842 5.227 1.00 1.24 H new ATOM 0 HE2 TYR A 56 6.640 -3.849 4.304 1.00 0.96 H new ATOM 0 HH TYR A 56 7.279 -7.227 4.949 1.00 1.33 H new ATOM 850 N GLY A 57 11.921 -0.339 8.345 1.00 0.61 N ATOM 851 CA GLY A 57 12.920 0.674 8.613 1.00 0.68 C ATOM 852 C GLY A 57 13.238 1.467 7.360 1.00 0.72 C ATOM 853 O GLY A 57 14.369 1.892 7.141 1.00 0.91 O ATOM 0 H GLY A 57 11.022 -0.183 8.801 1.00 0.61 H new ATOM 0 HA2 GLY A 57 12.561 1.346 9.392 1.00 0.68 H new ATOM 0 HA3 GLY A 57 13.828 0.204 8.991 1.00 0.68 H new ATOM 857 N VAL A 58 12.239 1.642 6.527 1.00 0.62 N ATOM 858 CA VAL A 58 12.407 2.345 5.273 1.00 0.65 C ATOM 859 C VAL A 58 11.791 3.713 5.361 1.00 0.57 C ATOM 860 O VAL A 58 11.129 4.023 6.341 1.00 0.50 O ATOM 861 CB VAL A 58 11.813 1.583 4.038 1.00 0.67 C ATOM 862 CG1 VAL A 58 12.476 0.240 3.855 1.00 0.81 C ATOM 863 CG2 VAL A 58 10.301 1.411 4.154 1.00 0.57 C ATOM 0 H VAL A 58 11.292 1.304 6.696 1.00 0.62 H new ATOM 0 HA VAL A 58 13.482 2.418 5.110 1.00 0.65 H new ATOM 0 HB VAL A 58 12.017 2.195 3.159 1.00 0.67 H new ATOM 0 HG11 VAL A 58 12.043 -0.265 2.991 1.00 0.81 H new ATOM 0 HG12 VAL A 58 13.545 0.381 3.695 1.00 0.81 H new ATOM 0 HG13 VAL A 58 12.319 -0.368 4.746 1.00 0.81 H new ATOM 0 HG21 VAL A 58 9.927 0.879 3.279 1.00 0.57 H new ATOM 0 HG22 VAL A 58 10.068 0.841 5.053 1.00 0.57 H new ATOM 0 HG23 VAL A 58 9.827 2.391 4.213 1.00 0.57 H new ATOM 873 N SER A 59 11.991 4.505 4.359 1.00 0.63 N ATOM 874 CA SER A 59 11.385 5.797 4.284 1.00 0.63 C ATOM 875 C SER A 59 10.842 6.007 2.889 1.00 0.62 C ATOM 876 O SER A 59 11.555 5.823 1.890 1.00 0.73 O ATOM 877 CB SER A 59 12.372 6.904 4.685 1.00 0.83 C ATOM 878 OG SER A 59 12.781 6.745 6.049 1.00 1.41 O ATOM 0 H SER A 59 12.584 4.273 3.562 1.00 0.63 H new ATOM 0 HA SER A 59 10.560 5.849 4.995 1.00 0.63 H new ATOM 0 HB2 SER A 59 13.244 6.875 4.032 1.00 0.83 H new ATOM 0 HB3 SER A 59 11.906 7.880 4.551 1.00 0.83 H new ATOM 0 HG SER A 59 13.411 7.457 6.287 1.00 1.41 H new ATOM 884 N ILE A 60 9.579 6.319 2.820 1.00 0.52 N ATOM 885 CA ILE A 60 8.902 6.519 1.570 1.00 0.53 C ATOM 886 C ILE A 60 8.927 7.989 1.205 1.00 0.59 C ATOM 887 O ILE A 60 8.479 8.841 1.986 1.00 0.67 O ATOM 888 CB ILE A 60 7.436 5.985 1.615 1.00 0.51 C ATOM 889 CG1 ILE A 60 7.444 4.473 1.896 1.00 0.50 C ATOM 890 CG2 ILE A 60 6.695 6.286 0.304 1.00 0.57 C ATOM 891 CD1 ILE A 60 6.069 3.845 2.006 1.00 0.55 C ATOM 0 H ILE A 60 8.984 6.443 3.639 1.00 0.52 H new ATOM 0 HA ILE A 60 9.427 5.950 0.803 1.00 0.53 H new ATOM 0 HB ILE A 60 6.906 6.496 2.419 1.00 0.51 H new ATOM 0 HG12 ILE A 60 7.995 3.972 1.101 1.00 0.50 H new ATOM 0 HG13 ILE A 60 7.987 4.292 2.824 1.00 0.50 H new ATOM 0 HG21 ILE A 60 5.677 5.902 0.365 1.00 0.57 H new ATOM 0 HG22 ILE A 60 6.668 7.363 0.141 1.00 0.57 H new ATOM 0 HG23 ILE A 60 7.214 5.806 -0.526 1.00 0.57 H new ATOM 0 HD11 ILE A 60 6.171 2.778 2.205 1.00 0.55 H new ATOM 0 HD12 ILE A 60 5.519 4.315 2.821 1.00 0.55 H new ATOM 0 HD13 ILE A 60 5.527 3.990 1.071 1.00 0.55 H new ATOM 903 N PRO A 61 9.489 8.316 0.038 1.00 0.62 N ATOM 904 CA PRO A 61 9.567 9.687 -0.443 1.00 0.71 C ATOM 905 C PRO A 61 8.187 10.329 -0.590 1.00 0.65 C ATOM 906 O PRO A 61 7.229 9.685 -1.060 1.00 0.57 O ATOM 907 CB PRO A 61 10.240 9.552 -1.808 1.00 0.78 C ATOM 908 CG PRO A 61 10.969 8.259 -1.744 1.00 0.77 C ATOM 909 CD PRO A 61 10.122 7.369 -0.899 1.00 0.64 C ATOM 0 HA PRO A 61 10.110 10.330 0.250 1.00 0.71 H new ATOM 0 HB2 PRO A 61 9.505 9.553 -2.613 1.00 0.78 H new ATOM 0 HB3 PRO A 61 10.921 10.382 -1.997 1.00 0.78 H new ATOM 0 HG2 PRO A 61 11.110 7.838 -2.739 1.00 0.77 H new ATOM 0 HG3 PRO A 61 11.960 8.388 -1.309 1.00 0.77 H new ATOM 0 HD2 PRO A 61 9.382 6.831 -1.492 1.00 0.64 H new ATOM 0 HD3 PRO A 61 10.717 6.620 -0.377 1.00 0.64 H new ATOM 917 N ASP A 62 8.114 11.590 -0.213 1.00 0.75 N ATOM 918 CA ASP A 62 6.888 12.395 -0.239 1.00 0.78 C ATOM 919 C ASP A 62 6.270 12.411 -1.624 1.00 0.68 C ATOM 920 O ASP A 62 5.056 12.245 -1.779 1.00 0.67 O ATOM 921 CB ASP A 62 7.209 13.830 0.187 1.00 0.99 C ATOM 922 CG ASP A 62 6.006 14.753 0.153 1.00 1.34 C ATOM 923 OD1 ASP A 62 5.745 15.386 -0.899 1.00 2.03 O ATOM 924 OD2 ASP A 62 5.328 14.890 1.171 1.00 1.88 O ATOM 0 H ASP A 62 8.924 12.106 0.131 1.00 0.75 H new ATOM 0 HA ASP A 62 6.173 11.948 0.452 1.00 0.78 H new ATOM 0 HB2 ASP A 62 7.620 13.818 1.197 1.00 0.99 H new ATOM 0 HB3 ASP A 62 7.983 14.231 -0.467 1.00 0.99 H new ATOM 929 N ASP A 63 7.118 12.517 -2.637 1.00 0.67 N ATOM 930 CA ASP A 63 6.651 12.575 -4.020 1.00 0.67 C ATOM 931 C ASP A 63 6.099 11.236 -4.455 1.00 0.58 C ATOM 932 O ASP A 63 5.107 11.171 -5.178 1.00 0.60 O ATOM 933 CB ASP A 63 7.791 12.984 -4.964 1.00 0.85 C ATOM 934 CG ASP A 63 7.394 12.944 -6.434 1.00 1.44 C ATOM 935 OD1 ASP A 63 6.867 13.948 -6.952 1.00 1.95 O ATOM 936 OD2 ASP A 63 7.597 11.904 -7.092 1.00 2.23 O ATOM 0 H ASP A 63 8.131 12.565 -2.531 1.00 0.67 H new ATOM 0 HA ASP A 63 5.860 13.323 -4.070 1.00 0.67 H new ATOM 0 HB2 ASP A 63 8.121 13.991 -4.710 1.00 0.85 H new ATOM 0 HB3 ASP A 63 8.641 12.321 -4.805 1.00 0.85 H new ATOM 941 N VAL A 64 6.686 10.168 -3.947 1.00 0.60 N ATOM 942 CA VAL A 64 6.278 8.847 -4.342 1.00 0.64 C ATOM 943 C VAL A 64 4.962 8.474 -3.678 1.00 0.60 C ATOM 944 O VAL A 64 4.073 7.927 -4.320 1.00 0.58 O ATOM 945 CB VAL A 64 7.350 7.776 -4.044 1.00 0.84 C ATOM 946 CG1 VAL A 64 6.879 6.412 -4.525 1.00 0.97 C ATOM 947 CG2 VAL A 64 8.655 8.137 -4.723 1.00 0.98 C ATOM 0 H VAL A 64 7.443 10.196 -3.264 1.00 0.60 H new ATOM 0 HA VAL A 64 6.144 8.871 -5.423 1.00 0.64 H new ATOM 0 HB VAL A 64 7.510 7.737 -2.967 1.00 0.84 H new ATOM 0 HG11 VAL A 64 7.644 5.666 -4.309 1.00 0.97 H new ATOM 0 HG12 VAL A 64 5.956 6.144 -4.012 1.00 0.97 H new ATOM 0 HG13 VAL A 64 6.700 6.447 -5.600 1.00 0.97 H new ATOM 0 HG21 VAL A 64 9.402 7.374 -4.505 1.00 0.98 H new ATOM 0 HG22 VAL A 64 8.500 8.196 -5.800 1.00 0.98 H new ATOM 0 HG23 VAL A 64 9.003 9.101 -4.353 1.00 0.98 H new ATOM 957 N ALA A 65 4.820 8.842 -2.422 1.00 0.72 N ATOM 958 CA ALA A 65 3.625 8.527 -1.640 1.00 0.85 C ATOM 959 C ALA A 65 2.348 9.127 -2.253 1.00 0.80 C ATOM 960 O ALA A 65 1.260 8.608 -2.056 1.00 0.90 O ATOM 961 CB ALA A 65 3.803 8.994 -0.206 1.00 1.09 C ATOM 0 H ALA A 65 5.526 9.369 -1.907 1.00 0.72 H new ATOM 0 HA ALA A 65 3.501 7.444 -1.653 1.00 0.85 H new ATOM 0 HB1 ALA A 65 2.908 8.755 0.368 1.00 1.09 H new ATOM 0 HB2 ALA A 65 4.663 8.491 0.236 1.00 1.09 H new ATOM 0 HB3 ALA A 65 3.966 10.072 -0.192 1.00 1.09 H new ATOM 967 N GLY A 66 2.494 10.199 -3.014 1.00 0.73 N ATOM 968 CA GLY A 66 1.340 10.817 -3.619 1.00 0.81 C ATOM 969 C GLY A 66 1.194 10.497 -5.097 1.00 0.73 C ATOM 970 O GLY A 66 0.176 10.830 -5.706 1.00 0.92 O ATOM 0 H GLY A 66 3.386 10.648 -3.221 1.00 0.73 H new ATOM 0 HA2 GLY A 66 0.443 10.490 -3.093 1.00 0.81 H new ATOM 0 HA3 GLY A 66 1.407 11.898 -3.493 1.00 0.81 H new ATOM 974 N ARG A 67 2.189 9.850 -5.682 1.00 0.56 N ATOM 975 CA ARG A 67 2.143 9.548 -7.114 1.00 0.61 C ATOM 976 C ARG A 67 1.679 8.123 -7.351 1.00 0.58 C ATOM 977 O ARG A 67 1.296 7.772 -8.458 1.00 0.79 O ATOM 978 CB ARG A 67 3.509 9.773 -7.780 1.00 0.63 C ATOM 979 CG ARG A 67 4.584 8.819 -7.308 1.00 0.57 C ATOM 980 CD ARG A 67 5.953 9.191 -7.844 1.00 0.87 C ATOM 981 NE ARG A 67 6.061 9.016 -9.283 1.00 1.64 N ATOM 982 CZ ARG A 67 6.781 9.802 -10.089 1.00 2.30 C ATOM 983 NH1 ARG A 67 7.335 10.937 -9.624 1.00 2.40 N ATOM 984 NH2 ARG A 67 6.952 9.453 -11.349 1.00 3.30 N ATOM 0 H ARG A 67 3.028 9.526 -5.202 1.00 0.56 H new ATOM 0 HA ARG A 67 1.426 10.232 -7.567 1.00 0.61 H new ATOM 0 HB2 ARG A 67 3.397 9.674 -8.860 1.00 0.63 H new ATOM 0 HB3 ARG A 67 3.833 10.795 -7.586 1.00 0.63 H new ATOM 0 HG2 ARG A 67 4.611 8.814 -6.218 1.00 0.57 H new ATOM 0 HG3 ARG A 67 4.334 7.806 -7.625 1.00 0.57 H new ATOM 0 HD2 ARG A 67 6.167 10.230 -7.592 1.00 0.87 H new ATOM 0 HD3 ARG A 67 6.709 8.581 -7.351 1.00 0.87 H new ATOM 0 HE ARG A 67 5.552 8.240 -9.707 1.00 1.64 H new ATOM 0 HH11 ARG A 67 7.207 11.204 -8.648 1.00 2.40 H new ATOM 0 HH12 ARG A 67 7.883 11.530 -10.248 1.00 2.40 H new ATOM 0 HH21 ARG A 67 6.536 8.590 -11.700 1.00 3.30 H new ATOM 0 HH22 ARG A 67 7.500 10.046 -11.973 1.00 3.30 H new ATOM 998 N VAL A 68 1.696 7.318 -6.309 1.00 0.45 N ATOM 999 CA VAL A 68 1.319 5.926 -6.431 1.00 0.45 C ATOM 1000 C VAL A 68 -0.198 5.801 -6.395 1.00 0.46 C ATOM 1001 O VAL A 68 -0.846 5.955 -5.361 1.00 0.53 O ATOM 1002 CB VAL A 68 2.011 5.027 -5.342 1.00 0.53 C ATOM 1003 CG1 VAL A 68 3.508 4.973 -5.586 1.00 1.45 C ATOM 1004 CG2 VAL A 68 1.751 5.523 -3.920 1.00 0.85 C ATOM 0 H VAL A 68 1.967 7.604 -5.368 1.00 0.45 H new ATOM 0 HA VAL A 68 1.674 5.556 -7.393 1.00 0.45 H new ATOM 0 HB VAL A 68 1.576 4.032 -5.431 1.00 0.53 H new ATOM 0 HG11 VAL A 68 3.978 4.348 -4.827 1.00 1.45 H new ATOM 0 HG12 VAL A 68 3.701 4.552 -6.573 1.00 1.45 H new ATOM 0 HG13 VAL A 68 3.922 5.980 -5.534 1.00 1.45 H new ATOM 0 HG21 VAL A 68 2.251 4.866 -3.208 1.00 0.85 H new ATOM 0 HG22 VAL A 68 2.137 6.537 -3.812 1.00 0.85 H new ATOM 0 HG23 VAL A 68 0.679 5.520 -3.724 1.00 0.85 H new ATOM 1014 N ASP A 69 -0.768 5.647 -7.555 1.00 0.47 N ATOM 1015 CA ASP A 69 -2.203 5.578 -7.658 1.00 0.53 C ATOM 1016 C ASP A 69 -2.671 4.134 -7.760 1.00 0.42 C ATOM 1017 O ASP A 69 -3.823 3.809 -7.456 1.00 0.48 O ATOM 1018 CB ASP A 69 -2.710 6.434 -8.802 1.00 0.71 C ATOM 1019 CG ASP A 69 -4.203 6.604 -8.758 1.00 1.34 C ATOM 1020 OD1 ASP A 69 -4.708 7.231 -7.807 1.00 1.82 O ATOM 1021 OD2 ASP A 69 -4.883 6.170 -9.687 1.00 2.04 O ATOM 0 H ASP A 69 -0.268 5.567 -8.440 1.00 0.47 H new ATOM 0 HA ASP A 69 -2.634 5.988 -6.745 1.00 0.53 H new ATOM 0 HB2 ASP A 69 -2.232 7.413 -8.762 1.00 0.71 H new ATOM 0 HB3 ASP A 69 -2.425 5.978 -9.750 1.00 0.71 H new ATOM 1026 N THR A 70 -1.781 3.271 -8.199 1.00 0.35 N ATOM 1027 CA THR A 70 -2.032 1.852 -8.157 1.00 0.29 C ATOM 1028 C THR A 70 -1.122 1.221 -7.108 1.00 0.26 C ATOM 1029 O THR A 70 0.035 1.644 -6.947 1.00 0.29 O ATOM 1030 CB THR A 70 -1.841 1.154 -9.530 1.00 0.37 C ATOM 1031 OG1 THR A 70 -0.594 1.520 -10.125 1.00 0.50 O ATOM 1032 CG2 THR A 70 -2.974 1.474 -10.468 1.00 0.39 C ATOM 0 H THR A 70 -0.875 3.531 -8.590 1.00 0.35 H new ATOM 0 HA THR A 70 -3.080 1.710 -7.892 1.00 0.29 H new ATOM 0 HB THR A 70 -1.837 0.079 -9.349 1.00 0.37 H new ATOM 0 HG1 THR A 70 -0.398 2.459 -9.923 1.00 0.50 H new ATOM 0 HG21 THR A 70 -2.811 0.970 -11.421 1.00 0.39 H new ATOM 0 HG22 THR A 70 -3.914 1.133 -10.033 1.00 0.39 H new ATOM 0 HG23 THR A 70 -3.019 2.551 -10.630 1.00 0.39 H new ATOM 1040 N PRO A 71 -1.617 0.221 -6.363 1.00 0.27 N ATOM 1041 CA PRO A 71 -0.845 -0.447 -5.309 1.00 0.31 C ATOM 1042 C PRO A 71 0.459 -1.055 -5.826 1.00 0.32 C ATOM 1043 O PRO A 71 1.443 -1.140 -5.093 1.00 0.37 O ATOM 1044 CB PRO A 71 -1.785 -1.546 -4.827 1.00 0.34 C ATOM 1045 CG PRO A 71 -3.144 -1.050 -5.170 1.00 0.34 C ATOM 1046 CD PRO A 71 -2.986 -0.314 -6.456 1.00 0.30 C ATOM 0 HA PRO A 71 -0.540 0.251 -4.530 1.00 0.31 H new ATOM 0 HB2 PRO A 71 -1.572 -2.495 -5.320 1.00 0.34 H new ATOM 0 HB3 PRO A 71 -1.683 -1.714 -3.755 1.00 0.34 H new ATOM 0 HG2 PRO A 71 -3.848 -1.875 -5.274 1.00 0.34 H new ATOM 0 HG3 PRO A 71 -3.532 -0.396 -4.389 1.00 0.34 H new ATOM 0 HD2 PRO A 71 -3.105 -0.973 -7.316 1.00 0.30 H new ATOM 0 HD3 PRO A 71 -3.724 0.481 -6.560 1.00 0.30 H new ATOM 1054 N ARG A 72 0.452 -1.482 -7.091 1.00 0.32 N ATOM 1055 CA ARG A 72 1.636 -2.058 -7.740 1.00 0.38 C ATOM 1056 C ARG A 72 2.847 -1.104 -7.665 1.00 0.35 C ATOM 1057 O ARG A 72 3.982 -1.541 -7.443 1.00 0.36 O ATOM 1058 CB ARG A 72 1.337 -2.469 -9.194 1.00 0.45 C ATOM 1059 CG ARG A 72 1.064 -1.316 -10.148 1.00 0.88 C ATOM 1060 CD ARG A 72 0.780 -1.810 -11.549 1.00 0.81 C ATOM 1061 NE ARG A 72 -0.515 -2.504 -11.647 1.00 0.86 N ATOM 1062 CZ ARG A 72 -0.790 -3.519 -12.479 1.00 1.05 C ATOM 1063 NH1 ARG A 72 0.180 -4.243 -13.002 1.00 1.48 N ATOM 1064 NH2 ARG A 72 -2.043 -3.851 -12.710 1.00 1.55 N ATOM 0 H ARG A 72 -0.370 -1.439 -7.693 1.00 0.32 H new ATOM 0 HA ARG A 72 1.898 -2.961 -7.189 1.00 0.38 H new ATOM 0 HB2 ARG A 72 2.183 -3.042 -9.574 1.00 0.45 H new ATOM 0 HB3 ARG A 72 0.474 -3.134 -9.197 1.00 0.45 H new ATOM 0 HG2 ARG A 72 0.214 -0.737 -9.786 1.00 0.88 H new ATOM 0 HG3 ARG A 72 1.923 -0.645 -10.165 1.00 0.88 H new ATOM 0 HD2 ARG A 72 0.790 -0.966 -12.238 1.00 0.81 H new ATOM 0 HD3 ARG A 72 1.576 -2.486 -11.862 1.00 0.81 H new ATOM 0 HE ARG A 72 -1.264 -2.187 -11.032 1.00 0.86 H new ATOM 0 HH11 ARG A 72 1.152 -4.033 -12.775 1.00 1.48 H new ATOM 0 HH12 ARG A 72 -0.042 -5.013 -13.634 1.00 1.48 H new ATOM 0 HH21 ARG A 72 -2.799 -3.337 -12.257 1.00 1.55 H new ATOM 0 HH22 ARG A 72 -2.258 -4.622 -13.342 1.00 1.55 H new ATOM 1078 N GLU A 73 2.573 0.200 -7.811 1.00 0.34 N ATOM 1079 CA GLU A 73 3.598 1.242 -7.775 1.00 0.36 C ATOM 1080 C GLU A 73 4.192 1.347 -6.381 1.00 0.32 C ATOM 1081 O GLU A 73 5.412 1.454 -6.206 1.00 0.35 O ATOM 1082 CB GLU A 73 2.988 2.582 -8.148 1.00 0.42 C ATOM 1083 CG GLU A 73 2.365 2.631 -9.517 1.00 0.60 C ATOM 1084 CD GLU A 73 1.689 3.946 -9.773 1.00 1.37 C ATOM 1085 OE1 GLU A 73 2.388 4.941 -10.108 1.00 1.78 O ATOM 1086 OE2 GLU A 73 0.454 4.027 -9.631 1.00 2.18 O ATOM 0 H GLU A 73 1.629 0.559 -7.958 1.00 0.34 H new ATOM 0 HA GLU A 73 4.380 0.980 -8.487 1.00 0.36 H new ATOM 0 HB2 GLU A 73 2.229 2.838 -7.409 1.00 0.42 H new ATOM 0 HB3 GLU A 73 3.762 3.347 -8.089 1.00 0.42 H new ATOM 0 HG2 GLU A 73 3.133 2.464 -10.272 1.00 0.60 H new ATOM 0 HG3 GLU A 73 1.639 1.824 -9.616 1.00 0.60 H new ATOM 1093 N LEU A 74 3.311 1.299 -5.395 1.00 0.31 N ATOM 1094 CA LEU A 74 3.688 1.400 -3.997 1.00 0.32 C ATOM 1095 C LEU A 74 4.522 0.176 -3.632 1.00 0.30 C ATOM 1096 O LEU A 74 5.559 0.290 -2.984 1.00 0.31 O ATOM 1097 CB LEU A 74 2.394 1.535 -3.126 1.00 0.36 C ATOM 1098 CG LEU A 74 2.527 1.850 -1.605 1.00 0.39 C ATOM 1099 CD1 LEU A 74 3.039 0.664 -0.798 1.00 0.44 C ATOM 1100 CD2 LEU A 74 3.411 3.072 -1.379 1.00 0.44 C ATOM 0 H LEU A 74 2.308 1.188 -5.544 1.00 0.31 H new ATOM 0 HA LEU A 74 4.296 2.285 -3.808 1.00 0.32 H new ATOM 0 HB2 LEU A 74 1.780 2.319 -3.570 1.00 0.36 H new ATOM 0 HB3 LEU A 74 1.837 0.603 -3.220 1.00 0.36 H new ATOM 0 HG LEU A 74 1.521 2.067 -1.245 1.00 0.39 H new ATOM 0 HD11 LEU A 74 3.111 0.943 0.253 1.00 0.44 H new ATOM 0 HD12 LEU A 74 2.350 -0.174 -0.905 1.00 0.44 H new ATOM 0 HD13 LEU A 74 4.023 0.373 -1.164 1.00 0.44 H new ATOM 0 HD21 LEU A 74 3.489 3.272 -0.310 1.00 0.44 H new ATOM 0 HD22 LEU A 74 4.404 2.883 -1.786 1.00 0.44 H new ATOM 0 HD23 LEU A 74 2.973 3.936 -1.879 1.00 0.44 H new ATOM 1112 N LEU A 75 4.066 -0.983 -4.090 1.00 0.29 N ATOM 1113 CA LEU A 75 4.767 -2.244 -3.897 1.00 0.30 C ATOM 1114 C LEU A 75 6.186 -2.152 -4.459 1.00 0.29 C ATOM 1115 O LEU A 75 7.155 -2.541 -3.803 1.00 0.30 O ATOM 1116 CB LEU A 75 3.998 -3.386 -4.579 1.00 0.33 C ATOM 1117 CG LEU A 75 4.590 -4.787 -4.430 1.00 0.37 C ATOM 1118 CD1 LEU A 75 4.664 -5.175 -2.968 1.00 0.41 C ATOM 1119 CD2 LEU A 75 3.766 -5.802 -5.207 1.00 0.45 C ATOM 0 H LEU A 75 3.193 -1.074 -4.609 1.00 0.29 H new ATOM 0 HA LEU A 75 4.828 -2.451 -2.829 1.00 0.30 H new ATOM 0 HB2 LEU A 75 2.983 -3.400 -4.182 1.00 0.33 H new ATOM 0 HB3 LEU A 75 3.921 -3.159 -5.642 1.00 0.33 H new ATOM 0 HG LEU A 75 5.600 -4.779 -4.840 1.00 0.37 H new ATOM 0 HD11 LEU A 75 5.088 -6.175 -2.878 1.00 0.41 H new ATOM 0 HD12 LEU A 75 5.295 -4.464 -2.434 1.00 0.41 H new ATOM 0 HD13 LEU A 75 3.663 -5.165 -2.538 1.00 0.41 H new ATOM 0 HD21 LEU A 75 4.204 -6.793 -5.088 1.00 0.45 H new ATOM 0 HD22 LEU A 75 2.744 -5.809 -4.827 1.00 0.45 H new ATOM 0 HD23 LEU A 75 3.759 -5.533 -6.263 1.00 0.45 H new ATOM 1131 N ASP A 76 6.290 -1.609 -5.665 1.00 0.31 N ATOM 1132 CA ASP A 76 7.576 -1.415 -6.336 1.00 0.34 C ATOM 1133 C ASP A 76 8.514 -0.536 -5.518 1.00 0.32 C ATOM 1134 O ASP A 76 9.702 -0.836 -5.395 1.00 0.34 O ATOM 1135 CB ASP A 76 7.394 -0.819 -7.725 1.00 0.45 C ATOM 1136 CG ASP A 76 8.716 -0.616 -8.431 1.00 0.78 C ATOM 1137 OD1 ASP A 76 9.357 -1.605 -8.833 1.00 0.90 O ATOM 1138 OD2 ASP A 76 9.163 0.554 -8.560 1.00 1.25 O ATOM 0 H ASP A 76 5.488 -1.290 -6.208 1.00 0.31 H new ATOM 0 HA ASP A 76 8.028 -2.402 -6.434 1.00 0.34 H new ATOM 0 HB2 ASP A 76 6.761 -1.476 -8.322 1.00 0.45 H new ATOM 0 HB3 ASP A 76 6.875 0.136 -7.645 1.00 0.45 H new ATOM 1143 N LEU A 77 7.965 0.528 -4.935 1.00 0.32 N ATOM 1144 CA LEU A 77 8.743 1.448 -4.114 1.00 0.36 C ATOM 1145 C LEU A 77 9.291 0.703 -2.907 1.00 0.34 C ATOM 1146 O LEU A 77 10.472 0.838 -2.565 1.00 0.40 O ATOM 1147 CB LEU A 77 7.857 2.662 -3.691 1.00 0.41 C ATOM 1148 CG LEU A 77 8.520 3.855 -2.926 1.00 0.53 C ATOM 1149 CD1 LEU A 77 8.895 3.521 -1.485 1.00 0.94 C ATOM 1150 CD2 LEU A 77 9.730 4.376 -3.687 1.00 1.35 C ATOM 0 H LEU A 77 6.978 0.773 -5.018 1.00 0.32 H new ATOM 0 HA LEU A 77 9.586 1.839 -4.685 1.00 0.36 H new ATOM 0 HB2 LEU A 77 7.398 3.065 -4.594 1.00 0.41 H new ATOM 0 HB3 LEU A 77 7.050 2.279 -3.067 1.00 0.41 H new ATOM 0 HG LEU A 77 7.764 4.638 -2.871 1.00 0.53 H new ATOM 0 HD11 LEU A 77 9.349 4.394 -1.016 1.00 0.94 H new ATOM 0 HD12 LEU A 77 7.999 3.237 -0.932 1.00 0.94 H new ATOM 0 HD13 LEU A 77 9.604 2.694 -1.476 1.00 0.94 H new ATOM 0 HD21 LEU A 77 10.176 5.205 -3.138 1.00 1.35 H new ATOM 0 HD22 LEU A 77 10.463 3.577 -3.796 1.00 1.35 H new ATOM 0 HD23 LEU A 77 9.419 4.720 -4.673 1.00 1.35 H new ATOM 1162 N ILE A 78 8.453 -0.116 -2.308 1.00 0.30 N ATOM 1163 CA ILE A 78 8.837 -0.883 -1.143 1.00 0.32 C ATOM 1164 C ILE A 78 9.917 -1.888 -1.522 1.00 0.33 C ATOM 1165 O ILE A 78 10.988 -1.887 -0.933 1.00 0.39 O ATOM 1166 CB ILE A 78 7.613 -1.622 -0.525 1.00 0.33 C ATOM 1167 CG1 ILE A 78 6.541 -0.614 -0.083 1.00 0.36 C ATOM 1168 CG2 ILE A 78 8.039 -2.494 0.656 1.00 0.38 C ATOM 1169 CD1 ILE A 78 7.019 0.398 0.947 1.00 0.42 C ATOM 0 H ILE A 78 7.492 -0.268 -2.613 1.00 0.30 H new ATOM 0 HA ILE A 78 9.227 -0.194 -0.394 1.00 0.32 H new ATOM 0 HB ILE A 78 7.189 -2.270 -1.292 1.00 0.33 H new ATOM 0 HG12 ILE A 78 6.179 -0.078 -0.961 1.00 0.36 H new ATOM 0 HG13 ILE A 78 5.693 -1.161 0.329 1.00 0.36 H new ATOM 0 HG21 ILE A 78 7.166 -2.999 1.069 1.00 0.38 H new ATOM 0 HG22 ILE A 78 8.761 -3.237 0.318 1.00 0.38 H new ATOM 0 HG23 ILE A 78 8.494 -1.869 1.424 1.00 0.38 H new ATOM 0 HD11 ILE A 78 6.201 1.071 1.203 1.00 0.42 H new ATOM 0 HD12 ILE A 78 7.353 -0.125 1.843 1.00 0.42 H new ATOM 0 HD13 ILE A 78 7.847 0.974 0.534 1.00 0.42 H new ATOM 1181 N ASN A 79 9.650 -2.703 -2.527 1.00 0.33 N ATOM 1182 CA ASN A 79 10.610 -3.729 -2.957 1.00 0.38 C ATOM 1183 C ASN A 79 11.919 -3.132 -3.427 1.00 0.38 C ATOM 1184 O ASN A 79 12.980 -3.696 -3.181 1.00 0.42 O ATOM 1185 CB ASN A 79 10.026 -4.692 -4.007 1.00 0.46 C ATOM 1186 CG ASN A 79 8.977 -5.604 -3.413 1.00 0.57 C ATOM 1187 OD1 ASN A 79 9.011 -5.884 -2.229 1.00 1.18 O ATOM 1188 ND2 ASN A 79 8.073 -6.108 -4.219 1.00 0.82 N ATOM 0 H ASN A 79 8.783 -2.682 -3.064 1.00 0.33 H new ATOM 0 HA ASN A 79 10.823 -4.323 -2.068 1.00 0.38 H new ATOM 0 HB2 ASN A 79 9.588 -4.117 -4.823 1.00 0.46 H new ATOM 0 HB3 ASN A 79 10.829 -5.292 -4.435 1.00 0.46 H new ATOM 0 HD21 ASN A 79 7.372 -6.755 -3.858 1.00 0.82 H new ATOM 0 HD22 ASN A 79 8.071 -5.853 -5.207 1.00 0.82 H new ATOM 1195 N GLY A 80 11.849 -1.977 -4.063 1.00 0.38 N ATOM 1196 CA GLY A 80 13.049 -1.287 -4.488 1.00 0.46 C ATOM 1197 C GLY A 80 13.887 -0.838 -3.301 1.00 0.50 C ATOM 1198 O GLY A 80 15.113 -0.986 -3.298 1.00 0.62 O ATOM 0 H GLY A 80 10.978 -1.500 -4.295 1.00 0.38 H new ATOM 0 HA2 GLY A 80 13.641 -1.944 -5.124 1.00 0.46 H new ATOM 0 HA3 GLY A 80 12.777 -0.420 -5.091 1.00 0.46 H new ATOM 1202 N ALA A 81 13.219 -0.336 -2.272 1.00 0.47 N ATOM 1203 CA ALA A 81 13.887 0.139 -1.071 1.00 0.57 C ATOM 1204 C ALA A 81 14.410 -1.032 -0.239 1.00 0.62 C ATOM 1205 O ALA A 81 15.448 -0.923 0.430 1.00 0.80 O ATOM 1206 CB ALA A 81 12.942 1.003 -0.246 1.00 0.59 C ATOM 0 H ALA A 81 12.203 -0.247 -2.247 1.00 0.47 H new ATOM 0 HA ALA A 81 14.740 0.747 -1.372 1.00 0.57 H new ATOM 0 HB1 ALA A 81 13.456 1.351 0.650 1.00 0.59 H new ATOM 0 HB2 ALA A 81 12.623 1.861 -0.838 1.00 0.59 H new ATOM 0 HB3 ALA A 81 12.070 0.416 0.041 1.00 0.59 H new ATOM 1212 N LEU A 82 13.695 -2.142 -0.286 1.00 0.54 N ATOM 1213 CA LEU A 82 14.082 -3.349 0.427 1.00 0.61 C ATOM 1214 C LEU A 82 15.287 -3.998 -0.209 1.00 0.74 C ATOM 1215 O LEU A 82 16.270 -4.300 0.474 1.00 0.89 O ATOM 1216 CB LEU A 82 12.932 -4.357 0.481 1.00 0.54 C ATOM 1217 CG LEU A 82 11.706 -3.941 1.276 1.00 0.58 C ATOM 1218 CD1 LEU A 82 10.656 -5.041 1.249 1.00 0.63 C ATOM 1219 CD2 LEU A 82 12.099 -3.609 2.697 1.00 0.68 C ATOM 0 H LEU A 82 12.830 -2.233 -0.819 1.00 0.54 H new ATOM 0 HA LEU A 82 14.336 -3.049 1.444 1.00 0.61 H new ATOM 0 HB2 LEU A 82 12.619 -4.574 -0.540 1.00 0.54 H new ATOM 0 HB3 LEU A 82 13.313 -5.287 0.902 1.00 0.54 H new ATOM 0 HG LEU A 82 11.275 -3.051 0.819 1.00 0.58 H new ATOM 0 HD11 LEU A 82 9.785 -4.726 1.823 1.00 0.63 H new ATOM 0 HD12 LEU A 82 10.360 -5.236 0.218 1.00 0.63 H new ATOM 0 HD13 LEU A 82 11.070 -5.950 1.686 1.00 0.63 H new ATOM 0 HD21 LEU A 82 11.214 -3.312 3.259 1.00 0.68 H new ATOM 0 HD22 LEU A 82 12.549 -4.485 3.164 1.00 0.68 H new ATOM 0 HD23 LEU A 82 12.818 -2.790 2.694 1.00 0.68 H new