USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 531 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 76 MET CE :methyl -170:sc= 0 (180deg=-0.0216) USER MOD Set 1.2: A 77 THR OG1 : rot 95:sc= 0.694! USER MOD Set 2.1: A 68 THR OG1 : rot 180:sc=-0.000586 USER MOD Set 2.2: A 69 THR OG1 : rot 180:sc= 0.0163 USER MOD Set 3.1: A 16 CYS SG : rot 165:sc= 0.0109 USER MOD Set 3.2: A 47 THR OG1 : rot 83:sc= 1.02 USER MOD Single : A 5 THR OG1 : rot -67:sc= 0.182 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 87:sc= 0.803 USER MOD Single : A 39 TYR OH : rot -165:sc= -1.02 USER MOD Single : A 41 SER OG : rot 180:sc= -0.665 USER MOD Single : A 46 ASN :FLIP amide:sc= -0.457 F(o=-1.9,f=-0.46) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.0349 X(o=-0.035,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -8.33! C(o=-8.3!,f=-10!) USER MOD Single : A 80 SER OG : rot 180:sc= -2! USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 34 N LEU A 3 65.497 11.185 0.742 1.00 0.00 N ATOM 35 CA LEU A 3 65.386 9.922 0.018 1.00 0.00 C ATOM 36 C LEU A 3 66.682 9.120 0.146 1.00 0.00 C ATOM 37 O LEU A 3 67.537 9.430 0.976 1.00 0.00 O ATOM 38 CB LEU A 3 65.067 10.175 -1.458 1.00 0.00 C ATOM 39 CG LEU A 3 66.197 10.791 -2.285 1.00 0.00 C ATOM 40 CD1 LEU A 3 65.985 10.458 -3.764 1.00 0.00 C ATOM 41 CD2 LEU A 3 66.189 12.310 -2.098 1.00 0.00 C ATOM 0 HA LEU A 3 64.571 9.346 0.456 1.00 0.00 H new ATOM 0 HB2 LEU A 3 64.781 9.228 -1.916 1.00 0.00 H new ATOM 0 HB3 LEU A 3 64.199 10.832 -1.516 1.00 0.00 H new ATOM 0 HG LEU A 3 67.154 10.387 -1.956 1.00 0.00 H new ATOM 0 HD11 LEU A 3 66.789 10.896 -4.355 1.00 0.00 H new ATOM 0 HD12 LEU A 3 65.985 9.376 -3.897 1.00 0.00 H new ATOM 0 HD13 LEU A 3 65.029 10.864 -4.095 1.00 0.00 H new ATOM 0 HD21 LEU A 3 66.993 12.753 -2.686 1.00 0.00 H new ATOM 0 HD22 LEU A 3 65.232 12.712 -2.430 1.00 0.00 H new ATOM 0 HD23 LEU A 3 66.336 12.548 -1.044 1.00 0.00 H new ATOM 53 N LEU A 4 66.816 8.077 -0.671 1.00 0.00 N ATOM 54 CA LEU A 4 68.010 7.234 -0.623 1.00 0.00 C ATOM 55 C LEU A 4 68.743 7.269 -1.963 1.00 0.00 C ATOM 56 O LEU A 4 68.232 7.798 -2.951 1.00 0.00 O ATOM 57 CB LEU A 4 67.617 5.784 -0.293 1.00 0.00 C ATOM 58 CG LEU A 4 68.141 5.236 1.038 1.00 0.00 C ATOM 59 CD1 LEU A 4 67.745 3.757 1.177 1.00 0.00 C ATOM 60 CD2 LEU A 4 69.666 5.360 1.075 1.00 0.00 C ATOM 0 H LEU A 4 66.123 7.797 -1.365 1.00 0.00 H new ATOM 0 HA LEU A 4 68.672 7.618 0.154 1.00 0.00 H new ATOM 0 HB2 LEU A 4 66.529 5.715 -0.289 1.00 0.00 H new ATOM 0 HB3 LEU A 4 67.975 5.139 -1.096 1.00 0.00 H new ATOM 0 HG LEU A 4 67.709 5.806 1.860 1.00 0.00 H new ATOM 0 HD11 LEU A 4 68.118 3.368 2.124 1.00 0.00 H new ATOM 0 HD12 LEU A 4 66.659 3.667 1.150 1.00 0.00 H new ATOM 0 HD13 LEU A 4 68.177 3.186 0.355 1.00 0.00 H new ATOM 0 HD21 LEU A 4 70.040 4.970 2.022 1.00 0.00 H new ATOM 0 HD22 LEU A 4 70.097 4.790 0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 4 69.948 6.408 0.977 1.00 0.00 H new ATOM 72 N THR A 5 69.938 6.687 -1.989 1.00 0.00 N ATOM 73 CA THR A 5 70.721 6.647 -3.220 1.00 0.00 C ATOM 74 C THR A 5 71.602 5.406 -3.269 1.00 0.00 C ATOM 75 O THR A 5 71.733 4.672 -2.288 1.00 0.00 O ATOM 76 CB THR A 5 71.609 7.883 -3.347 1.00 0.00 C ATOM 77 OG1 THR A 5 72.257 8.133 -2.109 1.00 0.00 O ATOM 78 CG2 THR A 5 70.745 9.078 -3.727 1.00 0.00 C ATOM 0 H THR A 5 70.381 6.243 -1.185 1.00 0.00 H new ATOM 0 HA THR A 5 70.012 6.622 -4.048 1.00 0.00 H new ATOM 0 HB THR A 5 72.364 7.718 -4.116 1.00 0.00 H new ATOM 0 HG1 THR A 5 71.592 8.399 -1.440 1.00 0.00 H new ATOM 0 HG21 THR A 5 71.372 9.965 -3.820 1.00 0.00 H new ATOM 0 HG22 THR A 5 70.251 8.882 -4.678 1.00 0.00 H new ATOM 0 HG23 THR A 5 69.993 9.244 -2.955 1.00 0.00 H new ATOM 86 N LEU A 6 72.206 5.189 -4.431 1.00 0.00 N ATOM 87 CA LEU A 6 73.085 4.039 -4.623 1.00 0.00 C ATOM 88 C LEU A 6 74.314 4.166 -3.732 1.00 0.00 C ATOM 89 O LEU A 6 74.773 3.193 -3.135 1.00 0.00 O ATOM 90 CB LEU A 6 73.531 3.944 -6.082 1.00 0.00 C ATOM 91 CG LEU A 6 74.503 2.804 -6.392 1.00 0.00 C ATOM 92 CD1 LEU A 6 73.747 1.474 -6.387 1.00 0.00 C ATOM 93 CD2 LEU A 6 75.130 3.028 -7.769 1.00 0.00 C ATOM 0 H LEU A 6 72.105 5.789 -5.250 1.00 0.00 H new ATOM 0 HA LEU A 6 72.532 3.138 -4.358 1.00 0.00 H new ATOM 0 HB2 LEU A 6 72.647 3.827 -6.709 1.00 0.00 H new ATOM 0 HB3 LEU A 6 74.000 4.887 -6.364 1.00 0.00 H new ATOM 0 HG LEU A 6 75.287 2.780 -5.635 1.00 0.00 H new ATOM 0 HD11 LEU A 6 74.439 0.661 -6.608 1.00 0.00 H new ATOM 0 HD12 LEU A 6 73.300 1.313 -5.406 1.00 0.00 H new ATOM 0 HD13 LEU A 6 72.963 1.498 -7.144 1.00 0.00 H new ATOM 0 HD21 LEU A 6 75.823 2.216 -7.990 1.00 0.00 H new ATOM 0 HD22 LEU A 6 74.346 3.053 -8.526 1.00 0.00 H new ATOM 0 HD23 LEU A 6 75.669 3.976 -7.774 1.00 0.00 H new ATOM 105 N SER A 7 74.837 5.384 -3.647 1.00 0.00 N ATOM 106 CA SER A 7 76.014 5.645 -2.822 1.00 0.00 C ATOM 107 C SER A 7 75.712 5.340 -1.356 1.00 0.00 C ATOM 108 O SER A 7 76.591 4.927 -0.600 1.00 0.00 O ATOM 109 CB SER A 7 76.445 7.107 -2.957 1.00 0.00 C ATOM 110 OG SER A 7 77.857 7.168 -3.107 1.00 0.00 O ATOM 0 H SER A 7 74.469 6.201 -4.134 1.00 0.00 H new ATOM 0 HA SER A 7 76.822 4.999 -3.165 1.00 0.00 H new ATOM 0 HB2 SER A 7 75.956 7.564 -3.817 1.00 0.00 H new ATOM 0 HB3 SER A 7 76.136 7.672 -2.077 1.00 0.00 H new ATOM 0 HG SER A 7 78.136 8.103 -3.196 1.00 0.00 H new ATOM 116 N ASP A 8 74.457 5.549 -0.968 1.00 0.00 N ATOM 117 CA ASP A 8 74.042 5.296 0.403 1.00 0.00 C ATOM 118 C ASP A 8 74.121 3.808 0.714 1.00 0.00 C ATOM 119 O ASP A 8 74.896 3.376 1.566 1.00 0.00 O ATOM 120 CB ASP A 8 72.600 5.760 0.614 1.00 0.00 C ATOM 121 CG ASP A 8 72.522 7.283 0.555 1.00 0.00 C ATOM 122 OD1 ASP A 8 73.511 7.927 0.868 1.00 0.00 O ATOM 123 OD2 ASP A 8 71.467 7.785 0.201 1.00 0.00 O ATOM 0 H ASP A 8 73.716 5.890 -1.581 1.00 0.00 H new ATOM 0 HA ASP A 8 74.710 5.848 1.065 1.00 0.00 H new ATOM 0 HB2 ASP A 8 71.955 5.326 -0.150 1.00 0.00 H new ATOM 0 HB3 ASP A 8 72.234 5.407 1.578 1.00 0.00 H new ATOM 128 N LEU A 9 73.301 3.029 0.012 1.00 0.00 N ATOM 129 CA LEU A 9 73.265 1.577 0.215 1.00 0.00 C ATOM 130 C LEU A 9 74.659 0.964 0.091 1.00 0.00 C ATOM 131 O LEU A 9 74.998 0.018 0.799 1.00 0.00 O ATOM 132 CB LEU A 9 72.341 0.918 -0.810 1.00 0.00 C ATOM 133 CG LEU A 9 72.161 -0.592 -0.644 1.00 0.00 C ATOM 134 CD1 LEU A 9 71.397 -0.877 0.651 1.00 0.00 C ATOM 135 CD2 LEU A 9 71.371 -1.144 -1.833 1.00 0.00 C ATOM 0 H LEU A 9 72.655 3.373 -0.699 1.00 0.00 H new ATOM 0 HA LEU A 9 72.888 1.398 1.222 1.00 0.00 H new ATOM 0 HB2 LEU A 9 71.362 1.394 -0.752 1.00 0.00 H new ATOM 0 HB3 LEU A 9 72.732 1.114 -1.808 1.00 0.00 H new ATOM 0 HG LEU A 9 73.139 -1.072 -0.601 1.00 0.00 H new ATOM 0 HD11 LEU A 9 71.269 -1.953 0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 9 71.958 -0.483 1.499 1.00 0.00 H new ATOM 0 HD13 LEU A 9 70.419 -0.398 0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 9 71.242 -2.220 -1.716 1.00 0.00 H new ATOM 0 HD22 LEU A 9 70.393 -0.664 -1.875 1.00 0.00 H new ATOM 0 HD23 LEU A 9 71.914 -0.942 -2.756 1.00 0.00 H new ATOM 147 N LEU A 10 75.458 1.514 -0.818 1.00 0.00 N ATOM 148 CA LEU A 10 76.817 1.015 -1.035 1.00 0.00 C ATOM 149 C LEU A 10 77.634 1.084 0.257 1.00 0.00 C ATOM 150 O LEU A 10 78.169 0.079 0.727 1.00 0.00 O ATOM 151 CB LEU A 10 77.509 1.837 -2.131 1.00 0.00 C ATOM 152 CG LEU A 10 77.597 1.163 -3.508 1.00 0.00 C ATOM 153 CD1 LEU A 10 76.230 0.591 -3.905 1.00 0.00 C ATOM 154 CD2 LEU A 10 78.036 2.199 -4.548 1.00 0.00 C ATOM 0 H LEU A 10 75.194 2.299 -1.413 1.00 0.00 H new ATOM 0 HA LEU A 10 76.753 -0.027 -1.350 1.00 0.00 H new ATOM 0 HB2 LEU A 10 76.977 2.782 -2.242 1.00 0.00 H new ATOM 0 HB3 LEU A 10 78.519 2.076 -1.798 1.00 0.00 H new ATOM 0 HG LEU A 10 78.322 0.350 -3.463 1.00 0.00 H new ATOM 0 HD11 LEU A 10 76.305 0.116 -4.883 1.00 0.00 H new ATOM 0 HD12 LEU A 10 75.916 -0.146 -3.166 1.00 0.00 H new ATOM 0 HD13 LEU A 10 75.497 1.397 -3.948 1.00 0.00 H new ATOM 0 HD21 LEU A 10 78.100 1.726 -5.528 1.00 0.00 H new ATOM 0 HD22 LEU A 10 77.308 3.010 -4.583 1.00 0.00 H new ATOM 0 HD23 LEU A 10 79.012 2.599 -4.273 1.00 0.00 H new ATOM 166 N THR A 11 77.718 2.283 0.820 1.00 0.00 N ATOM 167 CA THR A 11 78.458 2.506 2.050 1.00 0.00 C ATOM 168 C THR A 11 77.939 1.609 3.174 1.00 0.00 C ATOM 169 O THR A 11 78.704 0.914 3.839 1.00 0.00 O ATOM 170 CB THR A 11 78.300 3.966 2.458 1.00 0.00 C ATOM 171 OG1 THR A 11 78.664 4.804 1.369 1.00 0.00 O ATOM 172 CG2 THR A 11 79.196 4.258 3.642 1.00 0.00 C ATOM 0 H THR A 11 77.278 3.120 0.438 1.00 0.00 H new ATOM 0 HA THR A 11 79.507 2.266 1.878 1.00 0.00 H new ATOM 0 HB THR A 11 77.262 4.157 2.732 1.00 0.00 H new ATOM 0 HG1 THR A 11 77.884 4.952 0.795 1.00 0.00 H new ATOM 0 HG21 THR A 11 79.084 5.302 3.935 1.00 0.00 H new ATOM 0 HG22 THR A 11 78.917 3.615 4.477 1.00 0.00 H new ATOM 0 HG23 THR A 11 80.234 4.067 3.369 1.00 0.00 H new ATOM 180 N LEU A 12 76.625 1.638 3.379 1.00 0.00 N ATOM 181 CA LEU A 12 76.005 0.825 4.429 1.00 0.00 C ATOM 182 C LEU A 12 76.364 -0.645 4.249 1.00 0.00 C ATOM 183 O LEU A 12 76.819 -1.308 5.180 1.00 0.00 O ATOM 184 CB LEU A 12 74.484 0.972 4.402 1.00 0.00 C ATOM 185 CG LEU A 12 73.973 2.410 4.462 1.00 0.00 C ATOM 186 CD1 LEU A 12 72.466 2.431 4.207 1.00 0.00 C ATOM 187 CD2 LEU A 12 74.265 2.992 5.847 1.00 0.00 C ATOM 0 H LEU A 12 75.973 2.208 2.840 1.00 0.00 H new ATOM 0 HA LEU A 12 76.384 1.178 5.388 1.00 0.00 H new ATOM 0 HB2 LEU A 12 74.105 0.505 3.493 1.00 0.00 H new ATOM 0 HB3 LEU A 12 74.066 0.418 5.243 1.00 0.00 H new ATOM 0 HG LEU A 12 74.475 3.007 3.700 1.00 0.00 H new ATOM 0 HD11 LEU A 12 72.104 3.458 4.250 1.00 0.00 H new ATOM 0 HD12 LEU A 12 72.258 2.014 3.222 1.00 0.00 H new ATOM 0 HD13 LEU A 12 71.960 1.836 4.967 1.00 0.00 H new ATOM 0 HD21 LEU A 12 73.902 4.019 5.894 1.00 0.00 H new ATOM 0 HD22 LEU A 12 73.762 2.394 6.607 1.00 0.00 H new ATOM 0 HD23 LEU A 12 75.340 2.979 6.028 1.00 0.00 H new ATOM 199 N LEU A 13 76.172 -1.139 3.030 1.00 0.00 N ATOM 200 CA LEU A 13 76.500 -2.533 2.728 1.00 0.00 C ATOM 201 C LEU A 13 77.995 -2.756 2.941 1.00 0.00 C ATOM 202 O LEU A 13 78.422 -3.790 3.455 1.00 0.00 O ATOM 203 CB LEU A 13 76.121 -2.888 1.284 1.00 0.00 C ATOM 204 CG LEU A 13 74.847 -3.726 1.139 1.00 0.00 C ATOM 205 CD1 LEU A 13 74.621 -4.072 -0.335 1.00 0.00 C ATOM 206 CD2 LEU A 13 74.995 -5.018 1.947 1.00 0.00 C ATOM 0 H LEU A 13 75.797 -0.607 2.245 1.00 0.00 H new ATOM 0 HA LEU A 13 75.930 -3.178 3.396 1.00 0.00 H new ATOM 0 HB2 LEU A 13 75.997 -1.964 0.719 1.00 0.00 H new ATOM 0 HB3 LEU A 13 76.949 -3.431 0.829 1.00 0.00 H new ATOM 0 HG LEU A 13 73.995 -3.156 1.510 1.00 0.00 H new ATOM 0 HD11 LEU A 13 73.714 -4.668 -0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 13 74.516 -3.153 -0.912 1.00 0.00 H new ATOM 0 HD13 LEU A 13 75.472 -4.641 -0.710 1.00 0.00 H new ATOM 0 HD21 LEU A 13 74.090 -5.616 1.846 1.00 0.00 H new ATOM 0 HD22 LEU A 13 75.848 -5.585 1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 13 75.153 -4.774 2.998 1.00 0.00 H new ATOM 218 N ARG A 14 78.779 -1.751 2.556 1.00 0.00 N ATOM 219 CA ARG A 14 80.227 -1.812 2.721 1.00 0.00 C ATOM 220 C ARG A 14 80.568 -1.924 4.210 1.00 0.00 C ATOM 221 O ARG A 14 81.288 -2.828 4.632 1.00 0.00 O ATOM 222 CB ARG A 14 80.877 -0.547 2.129 1.00 0.00 C ATOM 223 CG ARG A 14 82.378 -0.512 2.448 1.00 0.00 C ATOM 224 CD ARG A 14 82.630 0.418 3.636 1.00 0.00 C ATOM 225 NE ARG A 14 82.880 1.788 3.177 1.00 0.00 N ATOM 226 CZ ARG A 14 84.052 2.156 2.642 1.00 0.00 C ATOM 227 NH1 ARG A 14 85.037 1.301 2.504 1.00 0.00 N ATOM 228 NH2 ARG A 14 84.216 3.391 2.252 1.00 0.00 N ATOM 0 H ARG A 14 78.437 -0.890 2.130 1.00 0.00 H new ATOM 0 HA ARG A 14 80.612 -2.686 2.196 1.00 0.00 H new ATOM 0 HB2 ARG A 14 80.728 -0.526 1.049 1.00 0.00 H new ATOM 0 HB3 ARG A 14 80.393 0.341 2.534 1.00 0.00 H new ATOM 0 HG2 ARG A 14 82.734 -1.516 2.678 1.00 0.00 H new ATOM 0 HG3 ARG A 14 82.937 -0.167 1.578 1.00 0.00 H new ATOM 0 HD2 ARG A 14 81.769 0.404 4.304 1.00 0.00 H new ATOM 0 HD3 ARG A 14 83.485 0.060 4.210 1.00 0.00 H new ATOM 0 HE ARG A 14 82.139 2.483 3.268 1.00 0.00 H new ATOM 0 HH11 ARG A 14 84.919 0.334 2.807 1.00 0.00 H new ATOM 0 HH12 ARG A 14 85.921 1.603 2.094 1.00 0.00 H new ATOM 0 HH21 ARG A 14 83.456 4.064 2.356 1.00 0.00 H new ATOM 0 HH22 ARG A 14 85.104 3.683 1.843 1.00 0.00 H new ATOM 242 N GLU A 15 80.032 -0.991 4.997 1.00 0.00 N ATOM 243 CA GLU A 15 80.270 -0.979 6.441 1.00 0.00 C ATOM 244 C GLU A 15 79.879 -2.324 7.051 1.00 0.00 C ATOM 245 O GLU A 15 80.576 -2.866 7.909 1.00 0.00 O ATOM 246 CB GLU A 15 79.447 0.140 7.098 1.00 0.00 C ATOM 247 CG GLU A 15 79.681 0.156 8.617 1.00 0.00 C ATOM 248 CD GLU A 15 80.301 1.487 9.037 1.00 0.00 C ATOM 249 OE1 GLU A 15 79.933 2.497 8.461 1.00 0.00 O ATOM 250 OE2 GLU A 15 81.134 1.474 9.928 1.00 0.00 O ATOM 0 H GLU A 15 79.433 -0.237 4.661 1.00 0.00 H new ATOM 0 HA GLU A 15 81.331 -0.801 6.619 1.00 0.00 H new ATOM 0 HB2 GLU A 15 79.725 1.103 6.671 1.00 0.00 H new ATOM 0 HB3 GLU A 15 78.388 -0.008 6.888 1.00 0.00 H new ATOM 0 HG2 GLU A 15 78.737 0.004 9.140 1.00 0.00 H new ATOM 0 HG3 GLU A 15 80.338 -0.666 8.901 1.00 0.00 H new ATOM 257 N CYS A 16 78.757 -2.852 6.584 1.00 0.00 N ATOM 258 CA CYS A 16 78.266 -4.138 7.074 1.00 0.00 C ATOM 259 C CYS A 16 79.271 -5.241 6.761 1.00 0.00 C ATOM 260 O CYS A 16 79.651 -6.024 7.632 1.00 0.00 O ATOM 261 CB CYS A 16 76.932 -4.487 6.419 1.00 0.00 C ATOM 262 SG CYS A 16 76.072 -5.714 7.433 1.00 0.00 S ATOM 0 H CYS A 16 78.171 -2.416 5.872 1.00 0.00 H new ATOM 0 HA CYS A 16 78.131 -4.058 8.153 1.00 0.00 H new ATOM 0 HB2 CYS A 16 76.320 -3.591 6.314 1.00 0.00 H new ATOM 0 HB3 CYS A 16 77.098 -4.879 5.416 1.00 0.00 H new ATOM 0 HG CYS A 16 74.824 -5.777 7.073 1.00 0.00 H new ATOM 268 N ALA A 17 79.696 -5.287 5.505 1.00 0.00 N ATOM 269 CA ALA A 17 80.663 -6.292 5.069 1.00 0.00 C ATOM 270 C ALA A 17 81.969 -6.146 5.843 1.00 0.00 C ATOM 271 O ALA A 17 82.652 -7.130 6.130 1.00 0.00 O ATOM 272 CB ALA A 17 80.954 -6.144 3.575 1.00 0.00 C ATOM 0 H ALA A 17 79.390 -4.646 4.773 1.00 0.00 H new ATOM 0 HA ALA A 17 80.233 -7.275 5.260 1.00 0.00 H new ATOM 0 HB1 ALA A 17 81.676 -6.901 3.268 1.00 0.00 H new ATOM 0 HB2 ALA A 17 80.031 -6.273 3.010 1.00 0.00 H new ATOM 0 HB3 ALA A 17 81.363 -5.152 3.380 1.00 0.00 H new ATOM 417 N VAL A 29 77.137 -3.998 -9.915 1.00 0.00 N ATOM 418 CA VAL A 29 76.114 -4.996 -9.612 1.00 0.00 C ATOM 419 C VAL A 29 74.851 -4.322 -9.084 1.00 0.00 C ATOM 420 O VAL A 29 74.138 -4.877 -8.247 1.00 0.00 O ATOM 421 CB VAL A 29 76.626 -5.986 -8.565 1.00 0.00 C ATOM 422 CG1 VAL A 29 77.769 -6.813 -9.158 1.00 0.00 C ATOM 423 CG2 VAL A 29 77.136 -5.218 -7.342 1.00 0.00 C ATOM 0 HA VAL A 29 75.882 -5.530 -10.533 1.00 0.00 H new ATOM 0 HB VAL A 29 75.814 -6.649 -8.267 1.00 0.00 H new ATOM 0 HG11 VAL A 29 78.133 -7.518 -8.411 1.00 0.00 H new ATOM 0 HG12 VAL A 29 77.408 -7.361 -10.029 1.00 0.00 H new ATOM 0 HG13 VAL A 29 78.581 -6.150 -9.457 1.00 0.00 H new ATOM 0 HG21 VAL A 29 77.501 -5.923 -6.596 1.00 0.00 H new ATOM 0 HG22 VAL A 29 77.947 -4.554 -7.641 1.00 0.00 H new ATOM 0 HG23 VAL A 29 76.323 -4.629 -6.917 1.00 0.00 H new ATOM 433 N GLU A 30 74.582 -3.119 -9.582 1.00 0.00 N ATOM 434 CA GLU A 30 73.404 -2.376 -9.157 1.00 0.00 C ATOM 435 C GLU A 30 72.121 -3.087 -9.595 1.00 0.00 C ATOM 436 O GLU A 30 71.071 -2.946 -8.967 1.00 0.00 O ATOM 437 CB GLU A 30 73.436 -0.961 -9.747 1.00 0.00 C ATOM 438 CG GLU A 30 73.370 -1.024 -11.277 1.00 0.00 C ATOM 439 CD GLU A 30 74.271 0.051 -11.877 1.00 0.00 C ATOM 440 OE1 GLU A 30 73.966 1.219 -11.696 1.00 0.00 O ATOM 441 OE2 GLU A 30 75.252 -0.308 -12.506 1.00 0.00 O ATOM 0 H GLU A 30 75.159 -2.642 -10.275 1.00 0.00 H new ATOM 0 HA GLU A 30 73.413 -2.317 -8.069 1.00 0.00 H new ATOM 0 HB2 GLU A 30 72.597 -0.380 -9.363 1.00 0.00 H new ATOM 0 HB3 GLU A 30 74.347 -0.450 -9.436 1.00 0.00 H new ATOM 0 HG2 GLU A 30 73.683 -2.009 -11.624 1.00 0.00 H new ATOM 0 HG3 GLU A 30 72.343 -0.880 -11.612 1.00 0.00 H new ATOM 448 N ASP A 31 72.224 -3.848 -10.684 1.00 0.00 N ATOM 449 CA ASP A 31 71.076 -4.578 -11.208 1.00 0.00 C ATOM 450 C ASP A 31 71.310 -6.087 -11.121 1.00 0.00 C ATOM 451 O ASP A 31 70.758 -6.861 -11.901 1.00 0.00 O ATOM 452 CB ASP A 31 70.818 -4.193 -12.666 1.00 0.00 C ATOM 453 CG ASP A 31 70.070 -2.866 -12.716 1.00 0.00 C ATOM 454 OD1 ASP A 31 69.003 -2.787 -12.129 1.00 0.00 O ATOM 455 OD2 ASP A 31 70.573 -1.948 -13.342 1.00 0.00 O ATOM 0 H ASP A 31 73.085 -3.973 -11.216 1.00 0.00 H new ATOM 0 HA ASP A 31 70.208 -4.314 -10.604 1.00 0.00 H new ATOM 0 HB2 ASP A 31 71.762 -4.111 -13.204 1.00 0.00 H new ATOM 0 HB3 ASP A 31 70.235 -4.970 -13.161 1.00 0.00 H new ATOM 460 N VAL A 32 72.126 -6.493 -10.149 1.00 0.00 N ATOM 461 CA VAL A 32 72.420 -7.906 -9.946 1.00 0.00 C ATOM 462 C VAL A 32 71.960 -8.322 -8.552 1.00 0.00 C ATOM 463 O VAL A 32 72.097 -7.565 -7.591 1.00 0.00 O ATOM 464 CB VAL A 32 73.921 -8.165 -10.081 1.00 0.00 C ATOM 465 CG1 VAL A 32 74.190 -9.668 -10.014 1.00 0.00 C ATOM 466 CG2 VAL A 32 74.412 -7.618 -11.423 1.00 0.00 C ATOM 0 H VAL A 32 72.592 -5.865 -9.494 1.00 0.00 H new ATOM 0 HA VAL A 32 71.893 -8.487 -10.702 1.00 0.00 H new ATOM 0 HB VAL A 32 74.450 -7.667 -9.268 1.00 0.00 H new ATOM 0 HG11 VAL A 32 75.260 -9.851 -10.110 1.00 0.00 H new ATOM 0 HG12 VAL A 32 73.840 -10.058 -9.058 1.00 0.00 H new ATOM 0 HG13 VAL A 32 73.662 -10.169 -10.826 1.00 0.00 H new ATOM 0 HG21 VAL A 32 75.482 -7.802 -11.521 1.00 0.00 H new ATOM 0 HG22 VAL A 32 73.882 -8.116 -12.235 1.00 0.00 H new ATOM 0 HG23 VAL A 32 74.222 -6.546 -11.470 1.00 0.00 H new ATOM 476 N ALA A 33 71.402 -9.526 -8.447 1.00 0.00 N ATOM 477 CA ALA A 33 70.916 -10.017 -7.157 1.00 0.00 C ATOM 478 C ALA A 33 72.029 -10.004 -6.113 1.00 0.00 C ATOM 479 O ALA A 33 73.208 -10.153 -6.436 1.00 0.00 O ATOM 480 CB ALA A 33 70.376 -11.441 -7.284 1.00 0.00 C ATOM 0 H ALA A 33 71.276 -10.172 -9.226 1.00 0.00 H new ATOM 0 HA ALA A 33 70.114 -9.351 -6.839 1.00 0.00 H new ATOM 0 HB1 ALA A 33 70.021 -11.783 -6.312 1.00 0.00 H new ATOM 0 HB2 ALA A 33 69.552 -11.455 -7.997 1.00 0.00 H new ATOM 0 HB3 ALA A 33 71.170 -12.101 -7.633 1.00 0.00 H new ATOM 486 N PHE A 34 71.637 -9.821 -4.854 1.00 0.00 N ATOM 487 CA PHE A 34 72.605 -9.785 -3.753 1.00 0.00 C ATOM 488 C PHE A 34 73.460 -11.050 -3.739 1.00 0.00 C ATOM 489 O PHE A 34 74.686 -10.990 -3.660 1.00 0.00 O ATOM 490 CB PHE A 34 71.883 -9.661 -2.413 1.00 0.00 C ATOM 491 CG PHE A 34 71.214 -8.311 -2.325 1.00 0.00 C ATOM 492 CD1 PHE A 34 71.988 -7.146 -2.332 1.00 0.00 C ATOM 493 CD2 PHE A 34 69.821 -8.225 -2.231 1.00 0.00 C ATOM 494 CE1 PHE A 34 71.371 -5.892 -2.248 1.00 0.00 C ATOM 495 CE2 PHE A 34 69.202 -6.969 -2.146 1.00 0.00 C ATOM 496 CZ PHE A 34 69.978 -5.805 -2.154 1.00 0.00 C ATOM 0 H PHE A 34 70.666 -9.696 -4.569 1.00 0.00 H new ATOM 0 HA PHE A 34 73.248 -8.918 -3.906 1.00 0.00 H new ATOM 0 HB2 PHE A 34 71.141 -10.453 -2.313 1.00 0.00 H new ATOM 0 HB3 PHE A 34 72.591 -9.782 -1.593 1.00 0.00 H new ATOM 0 HD1 PHE A 34 73.064 -7.214 -2.402 1.00 0.00 H new ATOM 0 HD2 PHE A 34 69.223 -9.124 -2.224 1.00 0.00 H new ATOM 0 HE1 PHE A 34 71.970 -4.993 -2.256 1.00 0.00 H new ATOM 0 HE2 PHE A 34 68.127 -6.901 -2.074 1.00 0.00 H new ATOM 0 HZ PHE A 34 69.501 -4.838 -2.088 1.00 0.00 H new ATOM 506 N ASP A 35 72.797 -12.197 -3.821 1.00 0.00 N ATOM 507 CA ASP A 35 73.502 -13.470 -3.824 1.00 0.00 C ATOM 508 C ASP A 35 74.385 -13.607 -5.067 1.00 0.00 C ATOM 509 O ASP A 35 75.296 -14.435 -5.103 1.00 0.00 O ATOM 510 CB ASP A 35 72.499 -14.624 -3.797 1.00 0.00 C ATOM 511 CG ASP A 35 71.512 -14.472 -4.949 1.00 0.00 C ATOM 512 OD1 ASP A 35 70.535 -13.762 -4.777 1.00 0.00 O ATOM 513 OD2 ASP A 35 71.749 -15.068 -5.987 1.00 0.00 O ATOM 0 H ASP A 35 71.782 -12.271 -3.886 1.00 0.00 H new ATOM 0 HA ASP A 35 74.134 -13.504 -2.936 1.00 0.00 H new ATOM 0 HB2 ASP A 35 73.023 -15.576 -3.877 1.00 0.00 H new ATOM 0 HB3 ASP A 35 71.965 -14.633 -2.847 1.00 0.00 H new ATOM 518 N ALA A 36 74.104 -12.799 -6.093 1.00 0.00 N ATOM 519 CA ALA A 36 74.876 -12.858 -7.327 1.00 0.00 C ATOM 520 C ALA A 36 76.144 -12.012 -7.236 1.00 0.00 C ATOM 521 O ALA A 36 77.125 -12.276 -7.933 1.00 0.00 O ATOM 522 CB ALA A 36 74.034 -12.364 -8.504 1.00 0.00 C ATOM 0 H ALA A 36 73.356 -12.106 -6.090 1.00 0.00 H new ATOM 0 HA ALA A 36 75.160 -13.899 -7.482 1.00 0.00 H new ATOM 0 HB1 ALA A 36 74.624 -12.414 -9.419 1.00 0.00 H new ATOM 0 HB2 ALA A 36 73.149 -12.992 -8.608 1.00 0.00 H new ATOM 0 HB3 ALA A 36 73.728 -11.333 -8.325 1.00 0.00 H new ATOM 528 N LEU A 37 76.125 -10.986 -6.382 1.00 0.00 N ATOM 529 CA LEU A 37 77.296 -10.123 -6.244 1.00 0.00 C ATOM 530 C LEU A 37 78.228 -10.627 -5.138 1.00 0.00 C ATOM 531 O LEU A 37 79.427 -10.352 -5.155 1.00 0.00 O ATOM 532 CB LEU A 37 76.884 -8.669 -5.967 1.00 0.00 C ATOM 533 CG LEU A 37 76.436 -8.350 -4.535 1.00 0.00 C ATOM 534 CD1 LEU A 37 77.659 -8.011 -3.673 1.00 0.00 C ATOM 535 CD2 LEU A 37 75.478 -7.153 -4.562 1.00 0.00 C ATOM 0 H LEU A 37 75.332 -10.738 -5.790 1.00 0.00 H new ATOM 0 HA LEU A 37 77.836 -10.154 -7.190 1.00 0.00 H new ATOM 0 HB2 LEU A 37 77.726 -8.022 -6.214 1.00 0.00 H new ATOM 0 HB3 LEU A 37 76.072 -8.408 -6.646 1.00 0.00 H new ATOM 0 HG LEU A 37 75.929 -9.216 -4.110 1.00 0.00 H new ATOM 0 HD11 LEU A 37 77.336 -7.785 -2.657 1.00 0.00 H new ATOM 0 HD12 LEU A 37 78.340 -8.862 -3.657 1.00 0.00 H new ATOM 0 HD13 LEU A 37 78.171 -7.145 -4.092 1.00 0.00 H new ATOM 0 HD21 LEU A 37 75.156 -6.922 -3.547 1.00 0.00 H new ATOM 0 HD22 LEU A 37 75.988 -6.288 -4.987 1.00 0.00 H new ATOM 0 HD23 LEU A 37 74.608 -7.397 -5.172 1.00 0.00 H new ATOM 547 N GLY A 38 77.676 -11.381 -4.186 1.00 0.00 N ATOM 548 CA GLY A 38 78.498 -11.919 -3.102 1.00 0.00 C ATOM 549 C GLY A 38 77.854 -11.746 -1.722 1.00 0.00 C ATOM 550 O GLY A 38 78.430 -12.161 -0.717 1.00 0.00 O ATOM 0 H GLY A 38 76.687 -11.628 -4.142 1.00 0.00 H new ATOM 0 HA2 GLY A 38 78.680 -12.979 -3.282 1.00 0.00 H new ATOM 0 HA3 GLY A 38 79.469 -11.424 -3.109 1.00 0.00 H new ATOM 554 N TYR A 39 76.665 -11.139 -1.663 1.00 0.00 N ATOM 555 CA TYR A 39 76.002 -10.946 -0.377 1.00 0.00 C ATOM 556 C TYR A 39 75.193 -12.186 -0.011 1.00 0.00 C ATOM 557 O TYR A 39 74.770 -12.945 -0.881 1.00 0.00 O ATOM 558 CB TYR A 39 75.074 -9.733 -0.433 1.00 0.00 C ATOM 559 CG TYR A 39 75.893 -8.465 -0.386 1.00 0.00 C ATOM 560 CD1 TYR A 39 76.828 -8.265 0.638 1.00 0.00 C ATOM 561 CD2 TYR A 39 75.716 -7.488 -1.372 1.00 0.00 C ATOM 562 CE1 TYR A 39 77.584 -7.088 0.675 1.00 0.00 C ATOM 563 CE2 TYR A 39 76.472 -6.310 -1.334 1.00 0.00 C ATOM 564 CZ TYR A 39 77.407 -6.111 -0.311 1.00 0.00 C ATOM 565 OH TYR A 39 78.154 -4.951 -0.274 1.00 0.00 O ATOM 0 H TYR A 39 76.155 -10.782 -2.471 1.00 0.00 H new ATOM 0 HA TYR A 39 76.767 -10.776 0.381 1.00 0.00 H new ATOM 0 HB2 TYR A 39 74.479 -9.760 -1.346 1.00 0.00 H new ATOM 0 HB3 TYR A 39 74.376 -9.758 0.404 1.00 0.00 H new ATOM 0 HD1 TYR A 39 76.965 -9.019 1.399 1.00 0.00 H new ATOM 0 HD2 TYR A 39 74.996 -7.643 -2.162 1.00 0.00 H new ATOM 0 HE1 TYR A 39 78.304 -6.934 1.465 1.00 0.00 H new ATOM 0 HE2 TYR A 39 76.334 -5.555 -2.094 1.00 0.00 H new ATOM 0 HH TYR A 39 77.754 -4.285 -0.871 1.00 0.00 H new ATOM 575 N ASP A 40 74.986 -12.387 1.288 1.00 0.00 N ATOM 576 CA ASP A 40 74.230 -13.547 1.752 1.00 0.00 C ATOM 577 C ASP A 40 72.812 -13.141 2.135 1.00 0.00 C ATOM 578 O ASP A 40 71.856 -13.408 1.407 1.00 0.00 O ATOM 579 CB ASP A 40 74.922 -14.190 2.960 1.00 0.00 C ATOM 580 CG ASP A 40 76.021 -15.128 2.476 1.00 0.00 C ATOM 581 OD1 ASP A 40 75.730 -15.972 1.645 1.00 0.00 O ATOM 582 OD2 ASP A 40 77.139 -14.989 2.944 1.00 0.00 O ATOM 0 H ASP A 40 75.325 -11.772 2.028 1.00 0.00 H new ATOM 0 HA ASP A 40 74.187 -14.271 0.938 1.00 0.00 H new ATOM 0 HB2 ASP A 40 75.345 -13.419 3.604 1.00 0.00 H new ATOM 0 HB3 ASP A 40 74.196 -14.741 3.558 1.00 0.00 H new ATOM 587 N SER A 41 72.695 -12.500 3.288 1.00 0.00 N ATOM 588 CA SER A 41 71.400 -12.056 3.793 1.00 0.00 C ATOM 589 C SER A 41 71.597 -11.407 5.147 1.00 0.00 C ATOM 590 O SER A 41 71.102 -10.314 5.421 1.00 0.00 O ATOM 591 CB SER A 41 70.453 -13.242 3.965 1.00 0.00 C ATOM 592 OG SER A 41 70.917 -14.061 5.031 1.00 0.00 O ATOM 0 H SER A 41 73.483 -12.274 3.895 1.00 0.00 H new ATOM 0 HA SER A 41 70.971 -11.352 3.080 1.00 0.00 H new ATOM 0 HB2 SER A 41 69.443 -12.889 4.175 1.00 0.00 H new ATOM 0 HB3 SER A 41 70.403 -13.820 3.042 1.00 0.00 H new ATOM 0 HG SER A 41 70.311 -14.823 5.146 1.00 0.00 H new ATOM 598 N LEU A 42 72.342 -12.114 5.990 1.00 0.00 N ATOM 599 CA LEU A 42 72.636 -11.640 7.345 1.00 0.00 C ATOM 600 C LEU A 42 73.199 -10.219 7.314 1.00 0.00 C ATOM 601 O LEU A 42 72.830 -9.370 8.127 1.00 0.00 O ATOM 602 CB LEU A 42 73.647 -12.566 8.024 1.00 0.00 C ATOM 603 CG LEU A 42 73.418 -12.788 9.520 1.00 0.00 C ATOM 604 CD1 LEU A 42 74.338 -13.905 10.019 1.00 0.00 C ATOM 605 CD2 LEU A 42 73.726 -11.497 10.281 1.00 0.00 C ATOM 0 H LEU A 42 72.755 -13.018 5.762 1.00 0.00 H new ATOM 0 HA LEU A 42 71.703 -11.641 7.909 1.00 0.00 H new ATOM 0 HB2 LEU A 42 73.626 -13.533 7.521 1.00 0.00 H new ATOM 0 HB3 LEU A 42 74.646 -12.155 7.882 1.00 0.00 H new ATOM 0 HG LEU A 42 72.379 -13.071 9.689 1.00 0.00 H new ATOM 0 HD11 LEU A 42 74.174 -14.062 11.085 1.00 0.00 H new ATOM 0 HD12 LEU A 42 74.119 -14.826 9.478 1.00 0.00 H new ATOM 0 HD13 LEU A 42 75.377 -13.623 9.849 1.00 0.00 H new ATOM 0 HD21 LEU A 42 73.563 -11.655 11.347 1.00 0.00 H new ATOM 0 HD22 LEU A 42 74.765 -11.213 10.111 1.00 0.00 H new ATOM 0 HD23 LEU A 42 73.070 -10.701 9.928 1.00 0.00 H new ATOM 617 N ALA A 43 74.087 -9.967 6.356 1.00 0.00 N ATOM 618 CA ALA A 43 74.681 -8.641 6.224 1.00 0.00 C ATOM 619 C ALA A 43 73.621 -7.645 5.785 1.00 0.00 C ATOM 620 O ALA A 43 73.505 -6.553 6.339 1.00 0.00 O ATOM 621 CB ALA A 43 75.814 -8.656 5.195 1.00 0.00 C ATOM 0 H ALA A 43 74.407 -10.651 5.670 1.00 0.00 H new ATOM 0 HA ALA A 43 75.087 -8.348 7.193 1.00 0.00 H new ATOM 0 HB1 ALA A 43 76.243 -7.658 5.112 1.00 0.00 H new ATOM 0 HB2 ALA A 43 76.585 -9.357 5.513 1.00 0.00 H new ATOM 0 HB3 ALA A 43 75.421 -8.964 4.226 1.00 0.00 H new ATOM 627 N LEU A 44 72.835 -8.043 4.793 1.00 0.00 N ATOM 628 CA LEU A 44 71.769 -7.185 4.286 1.00 0.00 C ATOM 629 C LEU A 44 70.768 -6.888 5.391 1.00 0.00 C ATOM 630 O LEU A 44 70.280 -5.769 5.532 1.00 0.00 O ATOM 631 CB LEU A 44 71.052 -7.867 3.127 1.00 0.00 C ATOM 632 CG LEU A 44 71.712 -7.662 1.767 1.00 0.00 C ATOM 633 CD1 LEU A 44 71.040 -8.558 0.728 1.00 0.00 C ATOM 634 CD2 LEU A 44 71.559 -6.197 1.363 1.00 0.00 C ATOM 0 H LEU A 44 72.913 -8.946 4.326 1.00 0.00 H new ATOM 0 HA LEU A 44 72.212 -6.252 3.937 1.00 0.00 H new ATOM 0 HB2 LEU A 44 70.994 -8.936 3.331 1.00 0.00 H new ATOM 0 HB3 LEU A 44 70.029 -7.495 3.080 1.00 0.00 H new ATOM 0 HG LEU A 44 72.769 -7.921 1.825 1.00 0.00 H new ATOM 0 HD11 LEU A 44 71.514 -8.409 -0.242 1.00 0.00 H new ATOM 0 HD12 LEU A 44 71.143 -9.601 1.026 1.00 0.00 H new ATOM 0 HD13 LEU A 44 69.982 -8.304 0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 44 72.027 -6.037 0.392 1.00 0.00 H new ATOM 0 HD22 LEU A 44 70.500 -5.945 1.302 1.00 0.00 H new ATOM 0 HD23 LEU A 44 72.040 -5.562 2.107 1.00 0.00 H new ATOM 646 N LEU A 45 70.480 -7.915 6.181 1.00 0.00 N ATOM 647 CA LEU A 45 69.544 -7.786 7.298 1.00 0.00 C ATOM 648 C LEU A 45 69.970 -6.645 8.225 1.00 0.00 C ATOM 649 O LEU A 45 69.151 -5.833 8.653 1.00 0.00 O ATOM 650 CB LEU A 45 69.489 -9.102 8.089 1.00 0.00 C ATOM 651 CG LEU A 45 68.773 -9.046 9.446 1.00 0.00 C ATOM 652 CD1 LEU A 45 67.393 -8.408 9.276 1.00 0.00 C ATOM 653 CD2 LEU A 45 68.611 -10.465 9.994 1.00 0.00 C ATOM 0 H LEU A 45 70.879 -8.847 6.071 1.00 0.00 H new ATOM 0 HA LEU A 45 68.555 -7.563 6.898 1.00 0.00 H new ATOM 0 HB2 LEU A 45 68.996 -9.853 7.472 1.00 0.00 H new ATOM 0 HB3 LEU A 45 70.510 -9.446 8.254 1.00 0.00 H new ATOM 0 HG LEU A 45 69.364 -8.449 10.141 1.00 0.00 H new ATOM 0 HD11 LEU A 45 66.888 -8.370 10.241 1.00 0.00 H new ATOM 0 HD12 LEU A 45 67.505 -7.397 8.885 1.00 0.00 H new ATOM 0 HD13 LEU A 45 66.801 -9.002 8.580 1.00 0.00 H new ATOM 0 HD21 LEU A 45 68.103 -10.427 10.958 1.00 0.00 H new ATOM 0 HD22 LEU A 45 68.022 -11.060 9.296 1.00 0.00 H new ATOM 0 HD23 LEU A 45 69.593 -10.921 10.120 1.00 0.00 H new ATOM 665 N ASN A 46 71.264 -6.596 8.523 1.00 0.00 N ATOM 666 CA ASN A 46 71.795 -5.552 9.391 1.00 0.00 C ATOM 667 C ASN A 46 71.788 -4.209 8.670 1.00 0.00 C ATOM 668 O ASN A 46 71.299 -3.208 9.195 1.00 0.00 O ATOM 669 CB ASN A 46 73.228 -5.878 9.812 1.00 0.00 C ATOM 670 CG ASN A 46 73.264 -7.242 10.489 1.00 0.00 C ATOM 671 OD1 ASN A 46 74.082 -8.154 10.044 1.00 0.00 O flip ATOM 672 ND2 ASN A 46 72.531 -7.486 11.448 1.00 0.00 N flip ATOM 0 H ASN A 46 71.958 -7.260 8.180 1.00 0.00 H new ATOM 0 HA ASN A 46 71.161 -5.498 10.276 1.00 0.00 H new ATOM 0 HB2 ASN A 46 73.883 -5.876 8.941 1.00 0.00 H new ATOM 0 HB3 ASN A 46 73.601 -5.113 10.493 1.00 0.00 H new ATOM 0 HD21 ASN A 46 71.891 -6.772 11.796 1.00 0.00 H new ATOM 0 HD22 ASN A 46 72.564 -8.402 11.895 1.00 0.00 H new ATOM 679 N THR A 47 72.341 -4.201 7.459 1.00 0.00 N ATOM 680 CA THR A 47 72.404 -2.972 6.663 1.00 0.00 C ATOM 681 C THR A 47 71.009 -2.388 6.447 1.00 0.00 C ATOM 682 O THR A 47 70.764 -1.209 6.709 1.00 0.00 O ATOM 683 CB THR A 47 73.043 -3.252 5.300 1.00 0.00 C ATOM 684 OG1 THR A 47 73.982 -4.310 5.427 1.00 0.00 O ATOM 685 CG2 THR A 47 73.758 -1.998 4.802 1.00 0.00 C ATOM 0 H THR A 47 72.748 -5.021 7.009 1.00 0.00 H new ATOM 0 HA THR A 47 73.011 -2.252 7.213 1.00 0.00 H new ATOM 0 HB THR A 47 72.267 -3.534 4.588 1.00 0.00 H new ATOM 0 HG1 THR A 47 73.514 -5.170 5.379 1.00 0.00 H new ATOM 0 HG21 THR A 47 74.212 -2.199 3.832 1.00 0.00 H new ATOM 0 HG22 THR A 47 73.040 -1.184 4.705 1.00 0.00 H new ATOM 0 HG23 THR A 47 74.533 -1.714 5.514 1.00 0.00 H new ATOM 693 N VAL A 48 70.098 -3.228 5.967 1.00 0.00 N ATOM 694 CA VAL A 48 68.726 -2.789 5.717 1.00 0.00 C ATOM 695 C VAL A 48 68.074 -2.330 7.019 1.00 0.00 C ATOM 696 O VAL A 48 67.265 -1.404 7.029 1.00 0.00 O ATOM 697 CB VAL A 48 67.898 -3.926 5.106 1.00 0.00 C ATOM 698 CG1 VAL A 48 66.501 -3.414 4.741 1.00 0.00 C ATOM 699 CG2 VAL A 48 68.590 -4.440 3.840 1.00 0.00 C ATOM 0 H VAL A 48 70.280 -4.207 5.745 1.00 0.00 H new ATOM 0 HA VAL A 48 68.758 -1.956 5.014 1.00 0.00 H new ATOM 0 HB VAL A 48 67.811 -4.733 5.833 1.00 0.00 H new ATOM 0 HG11 VAL A 48 65.918 -4.226 4.307 1.00 0.00 H new ATOM 0 HG12 VAL A 48 66.002 -3.047 5.638 1.00 0.00 H new ATOM 0 HG13 VAL A 48 66.588 -2.603 4.017 1.00 0.00 H new ATOM 0 HG21 VAL A 48 68.001 -5.248 3.406 1.00 0.00 H new ATOM 0 HG22 VAL A 48 68.679 -3.628 3.119 1.00 0.00 H new ATOM 0 HG23 VAL A 48 69.583 -4.810 4.093 1.00 0.00 H new ATOM 709 N GLY A 49 68.440 -2.989 8.116 1.00 0.00 N ATOM 710 CA GLY A 49 67.890 -2.642 9.425 1.00 0.00 C ATOM 711 C GLY A 49 68.222 -1.196 9.785 1.00 0.00 C ATOM 712 O GLY A 49 67.392 -0.464 10.329 1.00 0.00 O ATOM 0 H GLY A 49 69.109 -3.759 8.126 1.00 0.00 H new ATOM 0 HA2 GLY A 49 66.809 -2.781 9.419 1.00 0.00 H new ATOM 0 HA3 GLY A 49 68.294 -3.313 10.184 1.00 0.00 H new ATOM 716 N ARG A 50 69.450 -0.794 9.477 1.00 0.00 N ATOM 717 CA ARG A 50 69.889 0.563 9.773 1.00 0.00 C ATOM 718 C ARG A 50 69.130 1.568 8.917 1.00 0.00 C ATOM 719 O ARG A 50 68.810 2.667 9.367 1.00 0.00 O ATOM 720 CB ARG A 50 71.389 0.714 9.511 1.00 0.00 C ATOM 721 CG ARG A 50 71.914 1.950 10.246 1.00 0.00 C ATOM 722 CD ARG A 50 73.349 1.697 10.710 1.00 0.00 C ATOM 723 NE ARG A 50 73.674 2.536 11.866 1.00 0.00 N ATOM 724 CZ ARG A 50 74.762 2.323 12.619 1.00 0.00 C ATOM 725 NH1 ARG A 50 75.594 1.344 12.351 1.00 0.00 N ATOM 726 NH2 ARG A 50 74.999 3.102 13.639 1.00 0.00 N ATOM 0 H ARG A 50 70.152 -1.382 9.027 1.00 0.00 H new ATOM 0 HA ARG A 50 69.686 0.757 10.826 1.00 0.00 H new ATOM 0 HB2 ARG A 50 71.919 -0.176 9.849 1.00 0.00 H new ATOM 0 HB3 ARG A 50 71.574 0.808 8.441 1.00 0.00 H new ATOM 0 HG2 ARG A 50 71.881 2.819 9.588 1.00 0.00 H new ATOM 0 HG3 ARG A 50 71.278 2.174 11.102 1.00 0.00 H new ATOM 0 HD2 ARG A 50 73.472 0.646 10.971 1.00 0.00 H new ATOM 0 HD3 ARG A 50 74.042 1.907 9.896 1.00 0.00 H new ATOM 0 HE ARG A 50 73.052 3.308 12.106 1.00 0.00 H new ATOM 0 HH11 ARG A 50 75.418 0.728 11.557 1.00 0.00 H new ATOM 0 HH12 ARG A 50 76.416 1.199 12.937 1.00 0.00 H new ATOM 0 HH21 ARG A 50 74.359 3.865 13.857 1.00 0.00 H new ATOM 0 HH22 ARG A 50 75.825 2.947 14.218 1.00 0.00 H new ATOM 740 N ILE A 51 68.843 1.184 7.676 1.00 0.00 N ATOM 741 CA ILE A 51 68.117 2.070 6.769 1.00 0.00 C ATOM 742 C ILE A 51 66.672 2.236 7.230 1.00 0.00 C ATOM 743 O ILE A 51 66.161 3.350 7.313 1.00 0.00 O ATOM 744 CB ILE A 51 68.133 1.520 5.338 1.00 0.00 C ATOM 745 CG1 ILE A 51 69.583 1.278 4.902 1.00 0.00 C ATOM 746 CG2 ILE A 51 67.484 2.531 4.388 1.00 0.00 C ATOM 747 CD1 ILE A 51 69.647 0.095 3.929 1.00 0.00 C ATOM 0 H ILE A 51 69.097 0.279 7.279 1.00 0.00 H new ATOM 0 HA ILE A 51 68.615 3.040 6.781 1.00 0.00 H new ATOM 0 HB ILE A 51 67.577 0.583 5.307 1.00 0.00 H new ATOM 0 HG12 ILE A 51 69.983 2.173 4.426 1.00 0.00 H new ATOM 0 HG13 ILE A 51 70.205 1.076 5.774 1.00 0.00 H new ATOM 0 HG21 ILE A 51 67.497 2.136 3.372 1.00 0.00 H new ATOM 0 HG22 ILE A 51 66.453 2.709 4.695 1.00 0.00 H new ATOM 0 HG23 ILE A 51 68.039 3.469 4.420 1.00 0.00 H new ATOM 0 HD11 ILE A 51 70.680 -0.070 3.624 1.00 0.00 H new ATOM 0 HD12 ILE A 51 69.266 -0.801 4.420 1.00 0.00 H new ATOM 0 HD13 ILE A 51 69.040 0.313 3.050 1.00 0.00 H new ATOM 759 N GLU A 52 66.015 1.120 7.527 1.00 0.00 N ATOM 760 CA GLU A 52 64.627 1.172 7.975 1.00 0.00 C ATOM 761 C GLU A 52 64.502 1.973 9.270 1.00 0.00 C ATOM 762 O GLU A 52 63.439 2.510 9.575 1.00 0.00 O ATOM 763 CB GLU A 52 64.069 -0.236 8.200 1.00 0.00 C ATOM 764 CG GLU A 52 64.944 -0.984 9.204 1.00 0.00 C ATOM 765 CD GLU A 52 64.326 -2.346 9.504 1.00 0.00 C ATOM 766 OE1 GLU A 52 64.061 -3.074 8.561 1.00 0.00 O ATOM 767 OE2 GLU A 52 64.128 -2.641 10.670 1.00 0.00 O ATOM 0 H GLU A 52 66.412 0.182 7.467 1.00 0.00 H new ATOM 0 HA GLU A 52 64.051 1.663 7.191 1.00 0.00 H new ATOM 0 HB2 GLU A 52 63.045 -0.177 8.569 1.00 0.00 H new ATOM 0 HB3 GLU A 52 64.037 -0.780 7.256 1.00 0.00 H new ATOM 0 HG2 GLU A 52 65.950 -1.110 8.803 1.00 0.00 H new ATOM 0 HG3 GLU A 52 65.037 -0.405 10.123 1.00 0.00 H new ATOM 774 N ARG A 53 65.593 2.052 10.034 1.00 0.00 N ATOM 775 CA ARG A 53 65.564 2.798 11.289 1.00 0.00 C ATOM 776 C ARG A 53 66.067 4.226 11.085 1.00 0.00 C ATOM 777 O ARG A 53 65.560 5.169 11.691 1.00 0.00 O ATOM 778 CB ARG A 53 66.431 2.110 12.345 1.00 0.00 C ATOM 779 CG ARG A 53 66.124 2.699 13.722 1.00 0.00 C ATOM 780 CD ARG A 53 66.908 1.936 14.792 1.00 0.00 C ATOM 781 NE ARG A 53 66.281 2.095 16.106 1.00 0.00 N ATOM 782 CZ ARG A 53 66.654 1.365 17.167 1.00 0.00 C ATOM 783 NH1 ARG A 53 67.608 0.469 17.076 1.00 0.00 N ATOM 784 NH2 ARG A 53 66.057 1.550 18.313 1.00 0.00 N ATOM 0 H ARG A 53 66.489 1.618 9.811 1.00 0.00 H new ATOM 0 HA ARG A 53 64.529 2.827 11.631 1.00 0.00 H new ATOM 0 HB2 ARG A 53 66.238 1.037 12.346 1.00 0.00 H new ATOM 0 HB3 ARG A 53 67.486 2.244 12.108 1.00 0.00 H new ATOM 0 HG2 ARG A 53 66.391 3.755 13.745 1.00 0.00 H new ATOM 0 HG3 ARG A 53 65.055 2.636 13.926 1.00 0.00 H new ATOM 0 HD2 ARG A 53 66.954 0.879 14.531 1.00 0.00 H new ATOM 0 HD3 ARG A 53 67.935 2.301 14.827 1.00 0.00 H new ATOM 0 HE ARG A 53 65.537 2.783 16.218 1.00 0.00 H new ATOM 0 HH11 ARG A 53 68.082 0.317 16.185 1.00 0.00 H new ATOM 0 HH12 ARG A 53 67.876 -0.076 17.896 1.00 0.00 H new ATOM 0 HH21 ARG A 53 65.314 2.245 18.395 1.00 0.00 H new ATOM 0 HH22 ARG A 53 66.333 1.000 19.126 1.00 0.00 H new ATOM 798 N ASP A 54 67.071 4.373 10.228 1.00 0.00 N ATOM 799 CA ASP A 54 67.641 5.685 9.953 1.00 0.00 C ATOM 800 C ASP A 54 66.724 6.492 9.041 1.00 0.00 C ATOM 801 O ASP A 54 66.586 7.706 9.190 1.00 0.00 O ATOM 802 CB ASP A 54 69.007 5.544 9.282 1.00 0.00 C ATOM 803 CG ASP A 54 70.064 5.232 10.335 1.00 0.00 C ATOM 804 OD1 ASP A 54 69.815 4.367 11.158 1.00 0.00 O ATOM 805 OD2 ASP A 54 71.108 5.863 10.303 1.00 0.00 O ATOM 0 H ASP A 54 67.504 3.605 9.715 1.00 0.00 H new ATOM 0 HA ASP A 54 67.752 6.205 10.905 1.00 0.00 H new ATOM 0 HB2 ASP A 54 68.977 4.750 8.536 1.00 0.00 H new ATOM 0 HB3 ASP A 54 69.262 6.465 8.757 1.00 0.00 H new ATOM 810 N TYR A 55 66.100 5.802 8.091 1.00 0.00 N ATOM 811 CA TYR A 55 65.197 6.459 7.152 1.00 0.00 C ATOM 812 C TYR A 55 63.750 6.334 7.622 1.00 0.00 C ATOM 813 O TYR A 55 62.910 7.177 7.310 1.00 0.00 O ATOM 814 CB TYR A 55 65.331 5.838 5.760 1.00 0.00 C ATOM 815 CG TYR A 55 66.673 6.207 5.173 1.00 0.00 C ATOM 816 CD1 TYR A 55 67.835 5.575 5.630 1.00 0.00 C ATOM 817 CD2 TYR A 55 66.754 7.184 4.173 1.00 0.00 C ATOM 818 CE1 TYR A 55 69.079 5.919 5.087 1.00 0.00 C ATOM 819 CE2 TYR A 55 67.998 7.528 3.630 1.00 0.00 C ATOM 820 CZ TYR A 55 69.160 6.895 4.087 1.00 0.00 C ATOM 821 OH TYR A 55 70.386 7.234 3.552 1.00 0.00 O ATOM 0 H TYR A 55 66.202 4.797 7.951 1.00 0.00 H new ATOM 0 HA TYR A 55 65.468 7.514 7.105 1.00 0.00 H new ATOM 0 HB2 TYR A 55 65.235 4.754 5.823 1.00 0.00 H new ATOM 0 HB3 TYR A 55 64.529 6.192 5.113 1.00 0.00 H new ATOM 0 HD1 TYR A 55 67.772 4.822 6.402 1.00 0.00 H new ATOM 0 HD2 TYR A 55 65.857 7.672 3.821 1.00 0.00 H new ATOM 0 HE1 TYR A 55 69.976 5.431 5.440 1.00 0.00 H new ATOM 0 HE2 TYR A 55 68.061 8.281 2.859 1.00 0.00 H new ATOM 0 HH TYR A 55 70.265 7.926 2.869 1.00 0.00 H new ATOM 831 N GLY A 56 63.465 5.274 8.380 1.00 0.00 N ATOM 832 CA GLY A 56 62.112 5.063 8.884 1.00 0.00 C ATOM 833 C GLY A 56 61.176 4.628 7.762 1.00 0.00 C ATOM 834 O GLY A 56 60.035 5.081 7.679 1.00 0.00 O ATOM 0 H GLY A 56 64.141 4.561 8.653 1.00 0.00 H new ATOM 0 HA2 GLY A 56 62.125 4.305 9.667 1.00 0.00 H new ATOM 0 HA3 GLY A 56 61.741 5.982 9.337 1.00 0.00 H new ATOM 838 N VAL A 57 61.670 3.746 6.895 1.00 0.00 N ATOM 839 CA VAL A 57 60.858 3.262 5.778 1.00 0.00 C ATOM 840 C VAL A 57 59.605 2.552 6.294 1.00 0.00 C ATOM 841 O VAL A 57 59.625 1.920 7.350 1.00 0.00 O ATOM 842 CB VAL A 57 61.662 2.297 4.898 1.00 0.00 C ATOM 843 CG1 VAL A 57 62.883 3.026 4.331 1.00 0.00 C ATOM 844 CG2 VAL A 57 62.127 1.095 5.731 1.00 0.00 C ATOM 0 H VAL A 57 62.612 3.357 6.941 1.00 0.00 H new ATOM 0 HA VAL A 57 60.563 4.125 5.181 1.00 0.00 H new ATOM 0 HB VAL A 57 61.032 1.945 4.082 1.00 0.00 H new ATOM 0 HG11 VAL A 57 63.457 2.342 3.705 1.00 0.00 H new ATOM 0 HG12 VAL A 57 62.554 3.876 3.733 1.00 0.00 H new ATOM 0 HG13 VAL A 57 63.509 3.379 5.151 1.00 0.00 H new ATOM 0 HG21 VAL A 57 62.697 0.414 5.100 1.00 0.00 H new ATOM 0 HG22 VAL A 57 62.756 1.442 6.551 1.00 0.00 H new ATOM 0 HG23 VAL A 57 61.259 0.574 6.135 1.00 0.00 H new ATOM 854 N GLN A 58 58.516 2.664 5.537 1.00 0.00 N ATOM 855 CA GLN A 58 57.262 2.028 5.932 1.00 0.00 C ATOM 856 C GLN A 58 56.323 1.902 4.732 1.00 0.00 C ATOM 857 O GLN A 58 55.260 2.523 4.681 1.00 0.00 O ATOM 858 CB GLN A 58 56.575 2.843 7.034 1.00 0.00 C ATOM 859 CG GLN A 58 55.512 1.981 7.718 1.00 0.00 C ATOM 860 CD GLN A 58 55.021 2.684 8.978 1.00 0.00 C ATOM 861 OE1 GLN A 58 54.950 2.078 10.047 1.00 0.00 O ATOM 862 NE2 GLN A 58 54.673 3.941 8.916 1.00 0.00 N ATOM 0 H GLN A 58 58.476 3.181 4.659 1.00 0.00 H new ATOM 0 HA GLN A 58 57.491 1.032 6.311 1.00 0.00 H new ATOM 0 HB2 GLN A 58 57.311 3.180 7.764 1.00 0.00 H new ATOM 0 HB3 GLN A 58 56.116 3.736 6.609 1.00 0.00 H new ATOM 0 HG2 GLN A 58 54.678 1.806 7.038 1.00 0.00 H new ATOM 0 HG3 GLN A 58 55.927 1.006 7.971 1.00 0.00 H new ATOM 0 HE21 GLN A 58 54.732 4.443 8.030 1.00 0.00 H new ATOM 0 HE22 GLN A 58 54.342 4.421 9.753 1.00 0.00 H new ATOM 871 N LEU A 59 56.731 1.088 3.764 1.00 0.00 N ATOM 872 CA LEU A 59 55.921 0.881 2.564 1.00 0.00 C ATOM 873 C LEU A 59 55.492 -0.580 2.438 1.00 0.00 C ATOM 874 O LEU A 59 54.399 -0.879 1.956 1.00 0.00 O ATOM 875 CB LEU A 59 56.700 1.287 1.310 1.00 0.00 C ATOM 876 CG LEU A 59 57.915 0.415 0.978 1.00 0.00 C ATOM 877 CD1 LEU A 59 58.305 0.627 -0.487 1.00 0.00 C ATOM 878 CD2 LEU A 59 59.092 0.799 1.885 1.00 0.00 C ATOM 0 H LEU A 59 57.607 0.565 3.783 1.00 0.00 H new ATOM 0 HA LEU A 59 55.032 1.506 2.656 1.00 0.00 H new ATOM 0 HB2 LEU A 59 56.019 1.270 0.459 1.00 0.00 H new ATOM 0 HB3 LEU A 59 57.036 2.317 1.429 1.00 0.00 H new ATOM 0 HG LEU A 59 57.665 -0.633 1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 59 59.169 0.008 -0.727 1.00 0.00 H new ATOM 0 HD12 LEU A 59 57.470 0.349 -1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 59 58.554 1.676 -0.649 1.00 0.00 H new ATOM 0 HD21 LEU A 59 59.954 0.176 1.646 1.00 0.00 H new ATOM 0 HD22 LEU A 59 59.346 1.847 1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 59 58.813 0.647 2.928 1.00 0.00 H new ATOM 890 N GLY A 60 56.361 -1.489 2.877 1.00 0.00 N ATOM 891 CA GLY A 60 56.055 -2.913 2.807 1.00 0.00 C ATOM 892 C GLY A 60 57.117 -3.731 3.535 1.00 0.00 C ATOM 893 O GLY A 60 58.302 -3.668 3.208 1.00 0.00 O ATOM 0 H GLY A 60 57.271 -1.267 3.280 1.00 0.00 H new ATOM 0 HA2 GLY A 60 55.077 -3.102 3.250 1.00 0.00 H new ATOM 0 HA3 GLY A 60 55.999 -3.227 1.765 1.00 0.00 H new ATOM 897 N ASP A 61 56.677 -4.500 4.527 1.00 0.00 N ATOM 898 CA ASP A 61 57.596 -5.330 5.301 1.00 0.00 C ATOM 899 C ASP A 61 58.276 -6.357 4.401 1.00 0.00 C ATOM 900 O ASP A 61 59.424 -6.742 4.629 1.00 0.00 O ATOM 901 CB ASP A 61 56.846 -6.062 6.415 1.00 0.00 C ATOM 902 CG ASP A 61 56.443 -5.066 7.497 1.00 0.00 C ATOM 903 OD1 ASP A 61 57.273 -4.253 7.865 1.00 0.00 O ATOM 904 OD2 ASP A 61 55.307 -5.131 7.941 1.00 0.00 O ATOM 0 H ASP A 61 55.700 -4.566 4.812 1.00 0.00 H new ATOM 0 HA ASP A 61 58.350 -4.677 5.739 1.00 0.00 H new ATOM 0 HB2 ASP A 61 55.961 -6.553 6.010 1.00 0.00 H new ATOM 0 HB3 ASP A 61 57.477 -6.842 6.841 1.00 0.00 H new ATOM 909 N ASP A 62 57.555 -6.796 3.372 1.00 0.00 N ATOM 910 CA ASP A 62 58.101 -7.781 2.444 1.00 0.00 C ATOM 911 C ASP A 62 59.054 -7.140 1.431 1.00 0.00 C ATOM 912 O ASP A 62 59.625 -7.833 0.590 1.00 0.00 O ATOM 913 CB ASP A 62 56.976 -8.487 1.687 1.00 0.00 C ATOM 914 CG ASP A 62 56.083 -7.449 1.015 1.00 0.00 C ATOM 915 OD1 ASP A 62 56.458 -6.968 -0.041 1.00 0.00 O ATOM 916 OD2 ASP A 62 55.036 -7.152 1.567 1.00 0.00 O ATOM 0 H ASP A 62 56.605 -6.490 3.162 1.00 0.00 H new ATOM 0 HA ASP A 62 58.659 -8.504 3.040 1.00 0.00 H new ATOM 0 HB2 ASP A 62 57.394 -9.161 0.939 1.00 0.00 H new ATOM 0 HB3 ASP A 62 56.389 -9.097 2.373 1.00 0.00 H new ATOM 921 N ALA A 63 59.243 -5.820 1.523 1.00 0.00 N ATOM 922 CA ALA A 63 60.153 -5.129 0.613 1.00 0.00 C ATOM 923 C ALA A 63 61.550 -5.731 0.717 1.00 0.00 C ATOM 924 O ALA A 63 62.294 -5.795 -0.261 1.00 0.00 O ATOM 925 CB ALA A 63 60.230 -3.645 0.968 1.00 0.00 C ATOM 0 H ALA A 63 58.785 -5.219 2.208 1.00 0.00 H new ATOM 0 HA ALA A 63 59.775 -5.243 -0.403 1.00 0.00 H new ATOM 0 HB1 ALA A 63 60.912 -3.142 0.282 1.00 0.00 H new ATOM 0 HB2 ALA A 63 59.239 -3.199 0.886 1.00 0.00 H new ATOM 0 HB3 ALA A 63 60.595 -3.534 1.989 1.00 0.00 H new ATOM 931 N VAL A 64 61.885 -6.179 1.922 1.00 0.00 N ATOM 932 CA VAL A 64 63.188 -6.792 2.160 1.00 0.00 C ATOM 933 C VAL A 64 63.279 -8.135 1.439 1.00 0.00 C ATOM 934 O VAL A 64 64.362 -8.576 1.054 1.00 0.00 O ATOM 935 CB VAL A 64 63.413 -7.013 3.659 1.00 0.00 C ATOM 936 CG1 VAL A 64 64.851 -7.477 3.899 1.00 0.00 C ATOM 937 CG2 VAL A 64 63.173 -5.701 4.411 1.00 0.00 C ATOM 0 H VAL A 64 61.280 -6.131 2.742 1.00 0.00 H new ATOM 0 HA VAL A 64 63.954 -6.118 1.777 1.00 0.00 H new ATOM 0 HB VAL A 64 62.720 -7.773 4.019 1.00 0.00 H new ATOM 0 HG11 VAL A 64 65.009 -7.634 4.966 1.00 0.00 H new ATOM 0 HG12 VAL A 64 65.026 -8.411 3.365 1.00 0.00 H new ATOM 0 HG13 VAL A 64 65.544 -6.717 3.537 1.00 0.00 H new ATOM 0 HG21 VAL A 64 63.333 -5.858 5.478 1.00 0.00 H new ATOM 0 HG22 VAL A 64 63.866 -4.942 4.048 1.00 0.00 H new ATOM 0 HG23 VAL A 64 62.149 -5.368 4.243 1.00 0.00 H new ATOM 947 N GLU A 65 62.127 -8.784 1.260 1.00 0.00 N ATOM 948 CA GLU A 65 62.092 -10.075 0.586 1.00 0.00 C ATOM 949 C GLU A 65 62.336 -9.903 -0.910 1.00 0.00 C ATOM 950 O GLU A 65 63.280 -10.461 -1.470 1.00 0.00 O ATOM 951 CB GLU A 65 60.736 -10.751 0.795 1.00 0.00 C ATOM 952 CG GLU A 65 60.882 -12.262 0.606 1.00 0.00 C ATOM 953 CD GLU A 65 59.815 -12.983 1.421 1.00 0.00 C ATOM 954 OE1 GLU A 65 58.645 -12.759 1.161 1.00 0.00 O ATOM 955 OE2 GLU A 65 60.183 -13.751 2.295 1.00 0.00 O ATOM 0 H GLU A 65 61.218 -8.439 1.569 1.00 0.00 H new ATOM 0 HA GLU A 65 62.878 -10.698 1.013 1.00 0.00 H new ATOM 0 HB2 GLU A 65 60.360 -10.534 1.795 1.00 0.00 H new ATOM 0 HB3 GLU A 65 60.008 -10.354 0.088 1.00 0.00 H new ATOM 0 HG2 GLU A 65 60.784 -12.518 -0.449 1.00 0.00 H new ATOM 0 HG3 GLU A 65 61.875 -12.584 0.921 1.00 0.00 H new ATOM 962 N LYS A 66 61.471 -9.123 -1.551 1.00 0.00 N ATOM 963 CA LYS A 66 61.593 -8.877 -2.985 1.00 0.00 C ATOM 964 C LYS A 66 62.925 -8.202 -3.310 1.00 0.00 C ATOM 965 O LYS A 66 63.452 -8.342 -4.413 1.00 0.00 O ATOM 966 CB LYS A 66 60.451 -7.985 -3.475 1.00 0.00 C ATOM 967 CG LYS A 66 59.145 -8.782 -3.477 1.00 0.00 C ATOM 968 CD LYS A 66 58.949 -9.437 -4.846 1.00 0.00 C ATOM 969 CE LYS A 66 57.454 -9.636 -5.107 1.00 0.00 C ATOM 970 NZ LYS A 66 57.268 -10.685 -6.150 1.00 0.00 N ATOM 0 H LYS A 66 60.683 -8.653 -1.105 1.00 0.00 H new ATOM 0 HA LYS A 66 61.546 -9.841 -3.491 1.00 0.00 H new ATOM 0 HB2 LYS A 66 60.355 -7.112 -2.830 1.00 0.00 H new ATOM 0 HB3 LYS A 66 60.667 -7.618 -4.478 1.00 0.00 H new ATOM 0 HG2 LYS A 66 59.170 -9.544 -2.698 1.00 0.00 H new ATOM 0 HG3 LYS A 66 58.305 -8.125 -3.253 1.00 0.00 H new ATOM 0 HD2 LYS A 66 59.385 -8.812 -5.626 1.00 0.00 H new ATOM 0 HD3 LYS A 66 59.466 -10.396 -4.880 1.00 0.00 H new ATOM 0 HE2 LYS A 66 56.949 -9.929 -4.187 1.00 0.00 H new ATOM 0 HE3 LYS A 66 57.003 -8.699 -5.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 56.252 -10.821 -6.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 57.737 -10.387 -7.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 57.685 -11.579 -5.821 1.00 0.00 H new ATOM 984 N ALA A 67 63.462 -7.462 -2.340 1.00 0.00 N ATOM 985 CA ALA A 67 64.732 -6.764 -2.540 1.00 0.00 C ATOM 986 C ALA A 67 65.844 -7.748 -2.897 1.00 0.00 C ATOM 987 O ALA A 67 66.464 -8.353 -2.023 1.00 0.00 O ATOM 988 CB ALA A 67 65.135 -6.006 -1.275 1.00 0.00 C ATOM 0 H ALA A 67 63.044 -7.331 -1.419 1.00 0.00 H new ATOM 0 HA ALA A 67 64.593 -6.061 -3.361 1.00 0.00 H new ATOM 0 HB1 ALA A 67 66.082 -5.494 -1.444 1.00 0.00 H new ATOM 0 HB2 ALA A 67 64.366 -5.274 -1.029 1.00 0.00 H new ATOM 0 HB3 ALA A 67 65.245 -6.709 -0.449 1.00 0.00 H new ATOM 994 N THR A 68 66.089 -7.892 -4.195 1.00 0.00 N ATOM 995 CA THR A 68 67.129 -8.785 -4.680 1.00 0.00 C ATOM 996 C THR A 68 68.354 -7.979 -5.079 1.00 0.00 C ATOM 997 O THR A 68 69.489 -8.416 -4.916 1.00 0.00 O ATOM 998 CB THR A 68 66.632 -9.546 -5.898 1.00 0.00 C ATOM 999 OG1 THR A 68 66.182 -8.624 -6.881 1.00 0.00 O ATOM 1000 CG2 THR A 68 65.485 -10.453 -5.482 1.00 0.00 C ATOM 0 H THR A 68 65.580 -7.400 -4.929 1.00 0.00 H new ATOM 0 HA THR A 68 67.386 -9.485 -3.885 1.00 0.00 H new ATOM 0 HB THR A 68 67.440 -10.147 -6.314 1.00 0.00 H new ATOM 0 HG1 THR A 68 65.863 -9.114 -7.667 1.00 0.00 H new ATOM 0 HG21 THR A 68 65.122 -11.003 -6.351 1.00 0.00 H new ATOM 0 HG22 THR A 68 65.834 -11.157 -4.726 1.00 0.00 H new ATOM 0 HG23 THR A 68 64.675 -9.850 -5.070 1.00 0.00 H new ATOM 1008 N THR A 69 68.101 -6.792 -5.606 1.00 0.00 N ATOM 1009 CA THR A 69 69.180 -5.910 -6.031 1.00 0.00 C ATOM 1010 C THR A 69 69.267 -4.714 -5.082 1.00 0.00 C ATOM 1011 O THR A 69 68.355 -4.485 -4.288 1.00 0.00 O ATOM 1012 CB THR A 69 68.927 -5.390 -7.458 1.00 0.00 C ATOM 1013 OG1 THR A 69 67.566 -5.602 -7.812 1.00 0.00 O ATOM 1014 CG2 THR A 69 69.827 -6.124 -8.450 1.00 0.00 C ATOM 0 H THR A 69 67.164 -6.417 -5.750 1.00 0.00 H new ATOM 0 HA THR A 69 70.112 -6.475 -6.015 1.00 0.00 H new ATOM 0 HB THR A 69 69.151 -4.324 -7.489 1.00 0.00 H new ATOM 0 HG1 THR A 69 67.408 -5.268 -8.720 1.00 0.00 H new ATOM 0 HG21 THR A 69 69.641 -5.749 -9.456 1.00 0.00 H new ATOM 0 HG22 THR A 69 70.871 -5.955 -8.188 1.00 0.00 H new ATOM 0 HG23 THR A 69 69.612 -7.192 -8.415 1.00 0.00 H new ATOM 1022 N PRO A 70 70.340 -3.916 -5.163 1.00 0.00 N ATOM 1023 CA PRO A 70 70.477 -2.733 -4.299 1.00 0.00 C ATOM 1024 C PRO A 70 69.464 -1.669 -4.685 1.00 0.00 C ATOM 1025 O PRO A 70 68.908 -0.977 -3.834 1.00 0.00 O ATOM 1026 CB PRO A 70 71.907 -2.281 -4.566 1.00 0.00 C ATOM 1027 CG PRO A 70 72.286 -2.843 -5.925 1.00 0.00 C ATOM 1028 CD PRO A 70 71.462 -4.118 -6.110 1.00 0.00 C ATOM 0 HA PRO A 70 70.291 -2.933 -3.244 1.00 0.00 H new ATOM 0 HB2 PRO A 70 71.978 -1.193 -4.562 1.00 0.00 H new ATOM 0 HB3 PRO A 70 72.581 -2.648 -3.792 1.00 0.00 H new ATOM 0 HG2 PRO A 70 72.072 -2.124 -6.716 1.00 0.00 H new ATOM 0 HG3 PRO A 70 73.353 -3.060 -5.972 1.00 0.00 H new ATOM 0 HD2 PRO A 70 71.112 -4.229 -7.136 1.00 0.00 H new ATOM 0 HD3 PRO A 70 72.038 -5.012 -5.871 1.00 0.00 H new ATOM 1036 N ARG A 71 69.204 -1.571 -5.990 1.00 0.00 N ATOM 1037 CA ARG A 71 68.224 -0.614 -6.488 1.00 0.00 C ATOM 1038 C ARG A 71 66.847 -0.900 -5.880 1.00 0.00 C ATOM 1039 O ARG A 71 66.012 -0.004 -5.755 1.00 0.00 O ATOM 1040 CB ARG A 71 68.120 -0.696 -8.012 1.00 0.00 C ATOM 1041 CG ARG A 71 69.488 -0.417 -8.634 1.00 0.00 C ATOM 1042 CD ARG A 71 69.742 1.091 -8.653 1.00 0.00 C ATOM 1043 NE ARG A 71 70.756 1.430 -9.653 1.00 0.00 N ATOM 1044 CZ ARG A 71 71.156 2.692 -9.864 1.00 0.00 C ATOM 1045 NH1 ARG A 71 70.653 3.690 -9.177 1.00 0.00 N ATOM 1046 NH2 ARG A 71 72.063 2.933 -10.770 1.00 0.00 N ATOM 0 H ARG A 71 69.654 -2.136 -6.710 1.00 0.00 H new ATOM 0 HA ARG A 71 68.552 0.385 -6.201 1.00 0.00 H new ATOM 0 HB2 ARG A 71 67.768 -1.684 -8.310 1.00 0.00 H new ATOM 0 HB3 ARG A 71 67.389 0.026 -8.376 1.00 0.00 H new ATOM 0 HG2 ARG A 71 70.268 -0.921 -8.063 1.00 0.00 H new ATOM 0 HG3 ARG A 71 69.527 -0.816 -9.648 1.00 0.00 H new ATOM 0 HD2 ARG A 71 68.814 1.619 -8.874 1.00 0.00 H new ATOM 0 HD3 ARG A 71 70.070 1.422 -7.668 1.00 0.00 H new ATOM 0 HE ARG A 71 71.172 0.682 -10.207 1.00 0.00 H new ATOM 0 HH11 ARG A 71 69.943 3.513 -8.466 1.00 0.00 H new ATOM 0 HH12 ARG A 71 70.972 4.643 -9.354 1.00 0.00 H new ATOM 0 HH21 ARG A 71 72.461 2.165 -11.310 1.00 0.00 H new ATOM 0 HH22 ARG A 71 72.374 3.890 -10.938 1.00 0.00 H new ATOM 1060 N ALA A 72 66.622 -2.162 -5.495 1.00 0.00 N ATOM 1061 CA ALA A 72 65.348 -2.549 -4.894 1.00 0.00 C ATOM 1062 C ALA A 72 65.188 -1.876 -3.538 1.00 0.00 C ATOM 1063 O ALA A 72 64.230 -1.143 -3.298 1.00 0.00 O ATOM 1064 CB ALA A 72 65.278 -4.066 -4.712 1.00 0.00 C ATOM 0 H ALA A 72 67.298 -2.920 -5.589 1.00 0.00 H new ATOM 0 HA ALA A 72 64.545 -2.232 -5.560 1.00 0.00 H new ATOM 0 HB1 ALA A 72 64.322 -4.335 -4.263 1.00 0.00 H new ATOM 0 HB2 ALA A 72 65.373 -4.554 -5.682 1.00 0.00 H new ATOM 0 HB3 ALA A 72 66.089 -4.392 -4.061 1.00 0.00 H new ATOM 1070 N LEU A 73 66.152 -2.131 -2.655 1.00 0.00 N ATOM 1071 CA LEU A 73 66.134 -1.539 -1.312 1.00 0.00 C ATOM 1072 C LEU A 73 66.047 -0.021 -1.407 1.00 0.00 C ATOM 1073 O LEU A 73 65.348 0.631 -0.632 1.00 0.00 O ATOM 1074 CB LEU A 73 67.401 -1.909 -0.539 1.00 0.00 C ATOM 1075 CG LEU A 73 67.729 -3.402 -0.495 1.00 0.00 C ATOM 1076 CD1 LEU A 73 69.146 -3.597 0.046 1.00 0.00 C ATOM 1077 CD2 LEU A 73 66.732 -4.114 0.422 1.00 0.00 C ATOM 0 H LEU A 73 66.951 -2.738 -2.840 1.00 0.00 H new ATOM 0 HA LEU A 73 65.262 -1.930 -0.787 1.00 0.00 H new ATOM 0 HB2 LEU A 73 68.245 -1.382 -0.984 1.00 0.00 H new ATOM 0 HB3 LEU A 73 67.302 -1.546 0.484 1.00 0.00 H new ATOM 0 HG LEU A 73 67.663 -3.819 -1.500 1.00 0.00 H new ATOM 0 HD11 LEU A 73 69.380 -4.661 0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 73 69.857 -3.088 -0.605 1.00 0.00 H new ATOM 0 HD13 LEU A 73 69.212 -3.181 1.051 1.00 0.00 H new ATOM 0 HD21 LEU A 73 66.964 -5.179 0.455 1.00 0.00 H new ATOM 0 HD22 LEU A 73 66.800 -3.697 1.427 1.00 0.00 H new ATOM 0 HD23 LEU A 73 65.721 -3.975 0.039 1.00 0.00 H new ATOM 1089 N ILE A 74 66.758 0.532 -2.382 1.00 0.00 N ATOM 1090 CA ILE A 74 66.744 1.974 -2.591 1.00 0.00 C ATOM 1091 C ILE A 74 65.377 2.388 -3.133 1.00 0.00 C ATOM 1092 O ILE A 74 64.846 3.441 -2.788 1.00 0.00 O ATOM 1093 CB ILE A 74 67.841 2.385 -3.589 1.00 0.00 C ATOM 1094 CG1 ILE A 74 69.209 1.976 -3.038 1.00 0.00 C ATOM 1095 CG2 ILE A 74 67.825 3.903 -3.801 1.00 0.00 C ATOM 1096 CD1 ILE A 74 70.273 2.160 -4.122 1.00 0.00 C ATOM 0 H ILE A 74 67.345 0.011 -3.033 1.00 0.00 H new ATOM 0 HA ILE A 74 66.934 2.473 -1.641 1.00 0.00 H new ATOM 0 HB ILE A 74 67.655 1.887 -4.540 1.00 0.00 H new ATOM 0 HG12 ILE A 74 69.456 2.580 -2.165 1.00 0.00 H new ATOM 0 HG13 ILE A 74 69.185 0.937 -2.710 1.00 0.00 H new ATOM 0 HG21 ILE A 74 68.606 4.180 -4.509 1.00 0.00 H new ATOM 0 HG22 ILE A 74 66.855 4.205 -4.195 1.00 0.00 H new ATOM 0 HG23 ILE A 74 68.003 4.405 -2.850 1.00 0.00 H new ATOM 0 HD11 ILE A 74 71.247 1.869 -3.729 1.00 0.00 H new ATOM 0 HD12 ILE A 74 70.028 1.537 -4.982 1.00 0.00 H new ATOM 0 HD13 ILE A 74 70.303 3.206 -4.428 1.00 0.00 H new ATOM 1108 N GLU A 75 64.816 1.538 -3.986 1.00 0.00 N ATOM 1109 CA GLU A 75 63.513 1.814 -4.579 1.00 0.00 C ATOM 1110 C GLU A 75 62.427 1.881 -3.511 1.00 0.00 C ATOM 1111 O GLU A 75 61.580 2.774 -3.524 1.00 0.00 O ATOM 1112 CB GLU A 75 63.148 0.725 -5.589 1.00 0.00 C ATOM 1113 CG GLU A 75 63.668 1.117 -6.974 1.00 0.00 C ATOM 1114 CD GLU A 75 62.704 2.107 -7.619 1.00 0.00 C ATOM 1115 OE1 GLU A 75 62.195 2.957 -6.907 1.00 0.00 O ATOM 1116 OE2 GLU A 75 62.489 2.000 -8.815 1.00 0.00 O ATOM 0 H GLU A 75 65.240 0.658 -4.281 1.00 0.00 H new ATOM 0 HA GLU A 75 63.577 2.779 -5.082 1.00 0.00 H new ATOM 0 HB2 GLU A 75 63.579 -0.228 -5.284 1.00 0.00 H new ATOM 0 HB3 GLU A 75 62.067 0.590 -5.620 1.00 0.00 H new ATOM 0 HG2 GLU A 75 64.660 1.562 -6.889 1.00 0.00 H new ATOM 0 HG3 GLU A 75 63.769 0.231 -7.600 1.00 0.00 H new ATOM 1123 N MET A 76 62.451 0.921 -2.593 1.00 0.00 N ATOM 1124 CA MET A 76 61.454 0.878 -1.531 1.00 0.00 C ATOM 1125 C MET A 76 61.637 2.043 -0.563 1.00 0.00 C ATOM 1126 O MET A 76 60.668 2.557 -0.003 1.00 0.00 O ATOM 1127 CB MET A 76 61.548 -0.442 -0.764 1.00 0.00 C ATOM 1128 CG MET A 76 62.957 -0.620 -0.194 1.00 0.00 C ATOM 1129 SD MET A 76 62.981 -2.049 0.916 1.00 0.00 S ATOM 1130 CE MET A 76 64.300 -1.466 2.008 1.00 0.00 C ATOM 0 H MET A 76 63.141 0.171 -2.562 1.00 0.00 H new ATOM 0 HA MET A 76 60.470 0.957 -1.994 1.00 0.00 H new ATOM 0 HB2 MET A 76 60.816 -0.455 0.044 1.00 0.00 H new ATOM 0 HB3 MET A 76 61.307 -1.274 -1.426 1.00 0.00 H new ATOM 0 HG2 MET A 76 63.673 -0.762 -1.003 1.00 0.00 H new ATOM 0 HG3 MET A 76 63.259 0.278 0.345 1.00 0.00 H new ATOM 0 HE1 MET A 76 64.607 -2.274 2.672 1.00 0.00 H new ATOM 0 HE2 MET A 76 65.152 -1.144 1.410 1.00 0.00 H new ATOM 0 HE3 MET A 76 63.937 -0.627 2.602 1.00 0.00 H new ATOM 1140 N THR A 77 62.885 2.457 -0.370 1.00 0.00 N ATOM 1141 CA THR A 77 63.168 3.565 0.538 1.00 0.00 C ATOM 1142 C THR A 77 62.800 4.897 -0.108 1.00 0.00 C ATOM 1143 O THR A 77 62.336 5.818 0.560 1.00 0.00 O ATOM 1144 CB THR A 77 64.650 3.592 0.916 1.00 0.00 C ATOM 1145 OG1 THR A 77 65.082 2.273 1.220 1.00 0.00 O ATOM 1146 CG2 THR A 77 64.853 4.491 2.137 1.00 0.00 C ATOM 0 H THR A 77 63.705 2.051 -0.821 1.00 0.00 H new ATOM 0 HA THR A 77 62.568 3.417 1.436 1.00 0.00 H new ATOM 0 HB THR A 77 65.231 3.983 0.081 1.00 0.00 H new ATOM 0 HG1 THR A 77 65.484 1.868 0.423 1.00 0.00 H new ATOM 0 HG21 THR A 77 65.910 4.509 2.404 1.00 0.00 H new ATOM 0 HG22 THR A 77 64.521 5.503 1.903 1.00 0.00 H new ATOM 0 HG23 THR A 77 64.273 4.103 2.975 1.00 0.00 H new ATOM 1154 N ASN A 78 63.016 4.991 -1.415 1.00 0.00 N ATOM 1155 CA ASN A 78 62.704 6.222 -2.137 1.00 0.00 C ATOM 1156 C ASN A 78 61.213 6.309 -2.429 1.00 0.00 C ATOM 1157 O ASN A 78 60.624 7.385 -2.394 1.00 0.00 O ATOM 1158 CB ASN A 78 63.458 6.272 -3.467 1.00 0.00 C ATOM 1159 CG ASN A 78 64.901 6.692 -3.226 1.00 0.00 C ATOM 1160 OD1 ASN A 78 65.289 7.817 -3.534 1.00 0.00 O ATOM 1161 ND2 ASN A 78 65.729 5.849 -2.687 1.00 0.00 N ATOM 0 H ASN A 78 63.400 4.242 -1.991 1.00 0.00 H new ATOM 0 HA ASN A 78 63.008 7.058 -1.507 1.00 0.00 H new ATOM 0 HB2 ASN A 78 63.430 5.295 -3.949 1.00 0.00 H new ATOM 0 HB3 ASN A 78 62.973 6.975 -4.144 1.00 0.00 H new ATOM 0 HD21 ASN A 78 66.698 6.121 -2.521 1.00 0.00 H new ATOM 0 HD22 ASN A 78 65.410 4.915 -2.430 1.00 0.00 H new ATOM 1168 N ALA A 79 60.620 5.159 -2.730 1.00 0.00 N ATOM 1169 CA ALA A 79 59.196 5.097 -3.051 1.00 0.00 C ATOM 1170 C ALA A 79 58.347 5.474 -1.846 1.00 0.00 C ATOM 1171 O ALA A 79 57.327 6.149 -1.976 1.00 0.00 O ATOM 1172 CB ALA A 79 58.815 3.686 -3.504 1.00 0.00 C ATOM 0 H ALA A 79 61.100 4.259 -2.759 1.00 0.00 H new ATOM 0 HA ALA A 79 59.007 5.808 -3.856 1.00 0.00 H new ATOM 0 HB1 ALA A 79 57.751 3.654 -3.740 1.00 0.00 H new ATOM 0 HB2 ALA A 79 59.391 3.420 -4.390 1.00 0.00 H new ATOM 0 HB3 ALA A 79 59.031 2.977 -2.705 1.00 0.00 H new ATOM 1178 N SER A 80 58.774 5.026 -0.675 1.00 0.00 N ATOM 1179 CA SER A 80 58.042 5.319 0.544 1.00 0.00 C ATOM 1180 C SER A 80 58.235 6.775 0.934 1.00 0.00 C ATOM 1181 O SER A 80 57.288 7.466 1.309 1.00 0.00 O ATOM 1182 CB SER A 80 58.513 4.405 1.676 1.00 0.00 C ATOM 1183 OG SER A 80 59.719 4.910 2.233 1.00 0.00 O ATOM 0 H SER A 80 59.615 4.464 -0.545 1.00 0.00 H new ATOM 0 HA SER A 80 56.982 5.140 0.367 1.00 0.00 H new ATOM 0 HB2 SER A 80 57.745 4.340 2.447 1.00 0.00 H new ATOM 0 HB3 SER A 80 58.671 3.395 1.298 1.00 0.00 H new ATOM 0 HG SER A 80 60.016 4.322 2.958 1.00 0.00 H new ATOM 1189 N LEU A 81 59.475 7.237 0.835 1.00 0.00 N ATOM 1190 CA LEU A 81 59.785 8.614 1.170 1.00 0.00 C ATOM 1191 C LEU A 81 59.163 9.563 0.153 1.00 0.00 C ATOM 1192 O LEU A 81 58.497 10.532 0.515 1.00 0.00 O ATOM 1193 CB LEU A 81 61.301 8.807 1.203 1.00 0.00 C ATOM 1194 CG LEU A 81 62.019 8.350 2.490 1.00 0.00 C ATOM 1195 CD1 LEU A 81 61.310 7.154 3.150 1.00 0.00 C ATOM 1196 CD2 LEU A 81 63.453 7.945 2.146 1.00 0.00 C ATOM 0 H LEU A 81 60.273 6.681 0.528 1.00 0.00 H new ATOM 0 HA LEU A 81 59.370 8.838 2.153 1.00 0.00 H new ATOM 0 HB2 LEU A 81 61.733 8.268 0.360 1.00 0.00 H new ATOM 0 HB3 LEU A 81 61.515 9.865 1.049 1.00 0.00 H new ATOM 0 HG LEU A 81 62.006 9.182 3.194 1.00 0.00 H new ATOM 0 HD11 LEU A 81 61.848 6.865 4.052 1.00 0.00 H new ATOM 0 HD12 LEU A 81 60.289 7.435 3.411 1.00 0.00 H new ATOM 0 HD13 LEU A 81 61.289 6.315 2.455 1.00 0.00 H new ATOM 0 HD21 LEU A 81 63.967 7.621 3.051 1.00 0.00 H new ATOM 0 HD22 LEU A 81 63.437 7.128 1.425 1.00 0.00 H new ATOM 0 HD23 LEU A 81 63.979 8.798 1.716 1.00 0.00 H new ATOM 1208 N THR A 82 59.382 9.272 -1.126 1.00 0.00 N ATOM 1209 CA THR A 82 58.826 10.114 -2.185 1.00 0.00 C ATOM 1210 C THR A 82 57.293 10.098 -2.135 1.00 0.00 C ATOM 1211 O THR A 82 56.638 11.057 -2.544 1.00 0.00 O ATOM 1212 CB THR A 82 59.314 9.655 -3.575 1.00 0.00 C ATOM 1213 OG1 THR A 82 58.991 10.653 -4.533 1.00 0.00 O ATOM 1214 CG2 THR A 82 58.656 8.329 -3.986 1.00 0.00 C ATOM 0 H THR A 82 59.930 8.476 -1.452 1.00 0.00 H new ATOM 0 HA THR A 82 59.175 11.133 -2.019 1.00 0.00 H new ATOM 0 HB THR A 82 60.392 9.503 -3.529 1.00 0.00 H new ATOM 0 HG1 THR A 82 59.300 10.369 -5.419 1.00 0.00 H new ATOM 0 HG21 THR A 82 59.020 8.032 -4.970 1.00 0.00 H new ATOM 0 HG22 THR A 82 58.907 7.557 -3.258 1.00 0.00 H new ATOM 0 HG23 THR A 82 57.574 8.456 -4.022 1.00 0.00 H new ATOM 1222 N GLY A 83 56.732 8.995 -1.636 1.00 0.00 N ATOM 1223 CA GLY A 83 55.280 8.868 -1.549 1.00 0.00 C ATOM 1224 C GLY A 83 54.767 9.256 -0.165 1.00 0.00 C ATOM 1225 O GLY A 83 53.717 8.785 0.274 1.00 0.00 O ATOM 0 H GLY A 83 57.253 8.189 -1.291 1.00 0.00 H new ATOM 0 HA2 GLY A 83 54.812 9.502 -2.302 1.00 0.00 H new ATOM 0 HA3 GLY A 83 54.989 7.841 -1.771 1.00 0.00 H new