USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 804 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 59 SER OG : rot 180:sc=-0.00953 USER MOD Set 1.2: A 69 LYS NZ :NH3+ -141:sc= -0.223 (180deg=-1.67!) USER MOD Set 2.1: A 57 TYR OH : rot 125:sc= 0.0722 USER MOD Set 2.2: A 71 LYS NZ :NH3+ 158:sc= 1.24 (180deg=1.16) USER MOD Set 3.1: A 11 LYS NZ :NH3+ 171:sc= 0.957 (180deg=0.79) USER MOD Set 3.2: A 56 TYR OH : rot 100:sc= 0.00347 USER MOD Single : A 0 SER OG : rot 130:sc= 0.00203 USER MOD Single : A 9 LYS NZ :NH3+ 179:sc= 1.26 (180deg=1.19) USER MOD Single : A -1 GLY N :NH3+ 169:sc= 0.932 (180deg=0.833) USER MOD Single : A 13 LYS NZ :NH3+ -162:sc= 1.1 (180deg=0.578) USER MOD Single : A 19 ASN : amide:sc= -0.204 K(o=-0.2,f=-4.9!) USER MOD Single : A 23 LYS NZ :NH3+ 165:sc= -0.0376 (180deg=-0.245) USER MOD Single : A 28 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0336) USER MOD Single : A 30 GLN : amide:sc= 0.131 X(o=0.13,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -165:sc= -0.0461 (180deg=-0.249) USER MOD Single : A 37 TYR OH : rot 180:sc= 0.211 USER MOD Single : A 41 THR OG1 : rot 110:sc= -0.0731 USER MOD Single : A 42 LYS NZ :NH3+ 131:sc= 1.12 (180deg=0.588) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 162:sc= -0.079 (180deg=-0.515) USER MOD Single : A 49 THR OG1 : rot 154:sc= 0.833 USER MOD Single : A 50 SER OG : rot -22:sc= 0.754 USER MOD Single : A 53 LYS NZ :NH3+ 157:sc= 1.25 (180deg=1.08) USER MOD Single : A 67 LYS NZ :NH3+ 133:sc= 1.47 (180deg=0.489) USER MOD Single : A 74 LYS NZ :NH3+ -166:sc= 2.22 (180deg=1.44) USER MOD Single : A 80 LYS NZ :NH3+ -148:sc= 1.25 (180deg=1.06) USER MOD Single : A 81 MET CE :methyl 166:sc= -1.49 (180deg=-2.08!) USER MOD Single : A 85 LYS NZ :NH3+ -170:sc=-0.00727 (180deg=-0.11) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 18:sc= 0.00729 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 6.685 7.144 6.591 1.00 0.00 N ATOM 2 CA GLY A -1 7.693 6.735 5.585 1.00 0.00 C ATOM 3 C GLY A -1 8.156 5.311 5.782 1.00 0.00 C ATOM 4 O GLY A -1 7.714 4.633 6.709 1.00 0.00 O ATOM 0 H1 GLY A -1 6.536 8.172 6.535 1.00 0.00 H new ATOM 0 H2 GLY A -1 5.788 6.653 6.403 1.00 0.00 H new ATOM 0 H3 GLY A -1 7.023 6.895 7.542 1.00 0.00 H new ATOM 0 HA2 GLY A -1 7.270 6.842 4.586 1.00 0.00 H new ATOM 0 HA3 GLY A -1 8.551 7.405 5.641 1.00 0.00 H new ATOM 10 N SER A 0 9.037 4.848 4.902 1.00 0.00 N ATOM 11 CA SER A 0 9.608 3.516 5.023 1.00 0.00 C ATOM 12 C SER A 0 10.873 3.605 5.867 1.00 0.00 C ATOM 13 O SER A 0 11.249 4.696 6.302 1.00 0.00 O ATOM 14 CB SER A 0 9.920 2.921 3.635 1.00 0.00 C ATOM 15 OG SER A 0 10.089 1.515 3.712 1.00 0.00 O ATOM 0 H SER A 0 9.370 5.378 4.097 1.00 0.00 H new ATOM 0 HA SER A 0 8.888 2.855 5.505 1.00 0.00 H new ATOM 0 HB2 SER A 0 9.111 3.156 2.944 1.00 0.00 H new ATOM 0 HB3 SER A 0 10.825 3.378 3.234 1.00 0.00 H new ATOM 0 HG SER A 0 9.536 1.081 3.029 1.00 0.00 H new ATOM 21 N LEU A 1 11.517 2.476 6.120 1.00 0.00 N ATOM 22 CA LEU A 1 12.747 2.480 6.904 1.00 0.00 C ATOM 23 C LEU A 1 13.488 1.154 6.778 1.00 0.00 C ATOM 24 O LEU A 1 14.317 0.804 7.620 1.00 0.00 O ATOM 25 CB LEU A 1 12.461 2.779 8.388 1.00 0.00 C ATOM 26 CG LEU A 1 11.725 1.679 9.170 1.00 0.00 C ATOM 27 CD1 LEU A 1 11.801 1.957 10.663 1.00 0.00 C ATOM 28 CD2 LEU A 1 10.268 1.568 8.737 1.00 0.00 C ATOM 0 H LEU A 1 11.215 1.556 5.800 1.00 0.00 H new ATOM 0 HA LEU A 1 13.380 3.272 6.504 1.00 0.00 H new ATOM 0 HB2 LEU A 1 13.409 2.978 8.887 1.00 0.00 H new ATOM 0 HB3 LEU A 1 11.872 3.694 8.446 1.00 0.00 H new ATOM 0 HG LEU A 1 12.216 0.730 8.953 1.00 0.00 H new ATOM 0 HD11 LEU A 1 11.276 1.171 11.207 1.00 0.00 H new ATOM 0 HD12 LEU A 1 12.845 1.980 10.976 1.00 0.00 H new ATOM 0 HD13 LEU A 1 11.336 2.919 10.878 1.00 0.00 H new ATOM 0 HD21 LEU A 1 9.777 0.781 9.310 1.00 0.00 H new ATOM 0 HD22 LEU A 1 9.762 2.517 8.916 1.00 0.00 H new ATOM 0 HD23 LEU A 1 10.221 1.327 7.675 1.00 0.00 H new ATOM 40 N ILE A 2 13.199 0.423 5.720 1.00 0.00 N ATOM 41 CA ILE A 2 13.886 -0.828 5.462 1.00 0.00 C ATOM 42 C ILE A 2 14.956 -0.609 4.394 1.00 0.00 C ATOM 43 O ILE A 2 14.646 -0.387 3.230 1.00 0.00 O ATOM 44 CB ILE A 2 12.889 -1.954 5.060 1.00 0.00 C ATOM 45 CG1 ILE A 2 13.589 -3.042 4.234 1.00 0.00 C ATOM 46 CG2 ILE A 2 11.674 -1.384 4.333 1.00 0.00 C ATOM 47 CD1 ILE A 2 12.695 -4.207 3.869 1.00 0.00 C ATOM 0 H ILE A 2 12.495 0.672 5.026 1.00 0.00 H new ATOM 0 HA ILE A 2 14.373 -1.160 6.379 1.00 0.00 H new ATOM 0 HB ILE A 2 12.526 -2.423 5.974 1.00 0.00 H new ATOM 0 HG12 ILE A 2 13.978 -2.595 3.319 1.00 0.00 H new ATOM 0 HG13 ILE A 2 14.445 -3.416 4.796 1.00 0.00 H new ATOM 0 HG21 ILE A 2 10.997 -2.195 4.065 1.00 0.00 H new ATOM 0 HG22 ILE A 2 11.157 -0.680 4.985 1.00 0.00 H new ATOM 0 HG23 ILE A 2 11.999 -0.870 3.429 1.00 0.00 H new ATOM 0 HD11 ILE A 2 13.263 -4.933 3.286 1.00 0.00 H new ATOM 0 HD12 ILE A 2 12.326 -4.681 4.778 1.00 0.00 H new ATOM 0 HD13 ILE A 2 11.852 -3.848 3.279 1.00 0.00 H new ATOM 59 N LEU A 3 16.218 -0.626 4.811 1.00 0.00 N ATOM 60 CA LEU A 3 17.321 -0.298 3.912 1.00 0.00 C ATOM 61 C LEU A 3 18.306 -1.442 3.780 1.00 0.00 C ATOM 62 O LEU A 3 18.048 -2.400 3.063 1.00 0.00 O ATOM 63 CB LEU A 3 18.070 0.960 4.377 1.00 0.00 C ATOM 64 CG LEU A 3 17.377 2.292 4.094 1.00 0.00 C ATOM 65 CD1 LEU A 3 16.921 2.334 2.646 1.00 0.00 C ATOM 66 CD2 LEU A 3 16.206 2.511 5.038 1.00 0.00 C ATOM 0 H LEU A 3 16.503 -0.862 5.762 1.00 0.00 H new ATOM 0 HA LEU A 3 16.872 -0.110 2.937 1.00 0.00 H new ATOM 0 HB2 LEU A 3 18.240 0.882 5.451 1.00 0.00 H new ATOM 0 HB3 LEU A 3 19.050 0.973 3.899 1.00 0.00 H new ATOM 0 HG LEU A 3 18.089 3.100 4.264 1.00 0.00 H new ATOM 0 HD11 LEU A 3 16.427 3.285 2.448 1.00 0.00 H new ATOM 0 HD12 LEU A 3 17.785 2.230 1.989 1.00 0.00 H new ATOM 0 HD13 LEU A 3 16.223 1.517 2.460 1.00 0.00 H new ATOM 0 HD21 LEU A 3 15.732 3.466 4.814 1.00 0.00 H new ATOM 0 HD22 LEU A 3 15.481 1.707 4.911 1.00 0.00 H new ATOM 0 HD23 LEU A 3 16.565 2.517 6.067 1.00 0.00 H new ATOM 78 N ASP A 4 19.434 -1.328 4.486 1.00 0.00 N ATOM 79 CA ASP A 4 20.576 -2.227 4.306 1.00 0.00 C ATOM 80 C ASP A 4 21.240 -1.952 2.960 1.00 0.00 C ATOM 81 O ASP A 4 22.113 -2.703 2.524 1.00 0.00 O ATOM 82 CB ASP A 4 20.173 -3.706 4.400 1.00 0.00 C ATOM 83 CG ASP A 4 19.734 -4.114 5.789 1.00 0.00 C ATOM 84 OD1 ASP A 4 18.523 -4.033 6.087 1.00 0.00 O ATOM 85 OD2 ASP A 4 20.599 -4.531 6.590 1.00 0.00 O ATOM 0 H ASP A 4 19.581 -0.611 5.197 1.00 0.00 H new ATOM 0 HA ASP A 4 21.280 -2.031 5.115 1.00 0.00 H new ATOM 0 HB2 ASP A 4 19.363 -3.901 3.697 1.00 0.00 H new ATOM 0 HB3 ASP A 4 21.016 -4.326 4.095 1.00 0.00 H new ATOM 90 N GLY A 5 20.824 -0.857 2.323 1.00 0.00 N ATOM 91 CA GLY A 5 21.354 -0.482 1.025 1.00 0.00 C ATOM 92 C GLY A 5 20.901 -1.423 -0.072 1.00 0.00 C ATOM 93 O GLY A 5 21.478 -2.500 -0.235 1.00 0.00 O ATOM 0 H GLY A 5 20.120 -0.217 2.691 1.00 0.00 H new ATOM 0 HA2 GLY A 5 21.037 0.533 0.785 1.00 0.00 H new ATOM 0 HA3 GLY A 5 22.443 -0.474 1.068 1.00 0.00 H new ATOM 97 N ASP A 6 19.841 -1.039 -0.806 1.00 0.00 N ATOM 98 CA ASP A 6 19.306 -1.874 -1.896 1.00 0.00 C ATOM 99 C ASP A 6 18.556 -3.076 -1.318 1.00 0.00 C ATOM 100 O ASP A 6 17.963 -3.878 -2.044 1.00 0.00 O ATOM 101 CB ASP A 6 20.433 -2.299 -2.857 1.00 0.00 C ATOM 102 CG ASP A 6 19.988 -3.249 -3.948 1.00 0.00 C ATOM 103 OD1 ASP A 6 20.559 -4.360 -4.038 1.00 0.00 O ATOM 104 OD2 ASP A 6 19.082 -2.891 -4.729 1.00 0.00 O ATOM 0 H ASP A 6 19.341 -0.161 -0.665 1.00 0.00 H new ATOM 0 HA ASP A 6 18.593 -1.290 -2.478 1.00 0.00 H new ATOM 0 HB2 ASP A 6 20.859 -1.408 -3.317 1.00 0.00 H new ATOM 0 HB3 ASP A 6 21.229 -2.771 -2.281 1.00 0.00 H new ATOM 109 N LEU A 7 18.584 -3.165 0.010 1.00 0.00 N ATOM 110 CA LEU A 7 17.718 -4.052 0.773 1.00 0.00 C ATOM 111 C LEU A 7 18.116 -5.515 0.722 1.00 0.00 C ATOM 112 O LEU A 7 18.999 -5.932 -0.027 1.00 0.00 O ATOM 113 CB LEU A 7 16.272 -3.916 0.309 1.00 0.00 C ATOM 114 CG LEU A 7 15.480 -2.774 0.928 1.00 0.00 C ATOM 115 CD1 LEU A 7 16.064 -1.416 0.558 1.00 0.00 C ATOM 116 CD2 LEU A 7 14.043 -2.882 0.482 1.00 0.00 C ATOM 0 H LEU A 7 19.217 -2.615 0.591 1.00 0.00 H new ATOM 0 HA LEU A 7 17.828 -3.732 1.809 1.00 0.00 H new ATOM 0 HB2 LEU A 7 16.269 -3.790 -0.774 1.00 0.00 H new ATOM 0 HB3 LEU A 7 15.753 -4.850 0.523 1.00 0.00 H new ATOM 0 HG LEU A 7 15.536 -2.853 2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 7 15.470 -0.627 1.019 1.00 0.00 H new ATOM 0 HD12 LEU A 7 17.092 -1.353 0.915 1.00 0.00 H new ATOM 0 HD13 LEU A 7 16.048 -1.296 -0.525 1.00 0.00 H new ATOM 0 HD21 LEU A 7 13.464 -2.068 0.919 1.00 0.00 H new ATOM 0 HD22 LEU A 7 13.994 -2.819 -0.605 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.631 -3.837 0.809 1.00 0.00 H new ATOM 128 N LEU A 8 17.420 -6.281 1.555 1.00 0.00 N ATOM 129 CA LEU A 8 17.515 -7.731 1.572 1.00 0.00 C ATOM 130 C LEU A 8 16.696 -8.311 0.421 1.00 0.00 C ATOM 131 O LEU A 8 16.574 -9.531 0.281 1.00 0.00 O ATOM 132 CB LEU A 8 16.995 -8.251 2.923 1.00 0.00 C ATOM 133 CG LEU A 8 17.226 -9.736 3.213 1.00 0.00 C ATOM 134 CD1 LEU A 8 18.630 -10.163 2.812 1.00 0.00 C ATOM 135 CD2 LEU A 8 16.977 -10.030 4.683 1.00 0.00 C ATOM 0 H LEU A 8 16.768 -5.906 2.244 1.00 0.00 H new ATOM 0 HA LEU A 8 18.553 -8.040 1.447 1.00 0.00 H new ATOM 0 HB2 LEU A 8 17.465 -7.670 3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 8 15.924 -8.055 2.976 1.00 0.00 H new ATOM 0 HG LEU A 8 16.520 -10.312 2.616 1.00 0.00 H new ATOM 0 HD11 LEU A 8 18.764 -11.223 3.030 1.00 0.00 H new ATOM 0 HD12 LEU A 8 18.772 -9.991 1.745 1.00 0.00 H new ATOM 0 HD13 LEU A 8 19.361 -9.582 3.373 1.00 0.00 H new ATOM 0 HD21 LEU A 8 17.145 -11.090 4.876 1.00 0.00 H new ATOM 0 HD22 LEU A 8 17.659 -9.438 5.293 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.948 -9.774 4.936 1.00 0.00 H new ATOM 147 N LYS A 9 16.124 -7.409 -0.391 1.00 0.00 N ATOM 148 CA LYS A 9 15.294 -7.774 -1.537 1.00 0.00 C ATOM 149 C LYS A 9 13.947 -8.266 -1.047 1.00 0.00 C ATOM 150 O LYS A 9 12.957 -7.543 -1.118 1.00 0.00 O ATOM 151 CB LYS A 9 15.978 -8.823 -2.426 1.00 0.00 C ATOM 152 CG LYS A 9 17.250 -8.313 -3.081 1.00 0.00 C ATOM 153 CD LYS A 9 16.945 -7.293 -4.162 1.00 0.00 C ATOM 154 CE LYS A 9 18.013 -6.214 -4.240 1.00 0.00 C ATOM 155 NZ LYS A 9 19.383 -6.760 -4.424 1.00 0.00 N ATOM 0 H LYS A 9 16.228 -6.402 -0.266 1.00 0.00 H new ATOM 0 HA LYS A 9 15.148 -6.888 -2.155 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.213 -9.702 -1.825 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.281 -9.144 -3.201 1.00 0.00 H new ATOM 0 HG2 LYS A 9 17.895 -7.863 -2.326 1.00 0.00 H new ATOM 0 HG3 LYS A 9 17.800 -9.150 -3.513 1.00 0.00 H new ATOM 0 HD2 LYS A 9 16.867 -7.797 -5.125 1.00 0.00 H new ATOM 0 HD3 LYS A 9 15.977 -6.832 -3.964 1.00 0.00 H new ATOM 0 HE2 LYS A 9 17.782 -5.542 -5.067 1.00 0.00 H new ATOM 0 HE3 LYS A 9 17.986 -5.618 -3.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 20.064 -5.976 -4.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 19.627 -7.366 -3.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 19.419 -7.320 -5.299 1.00 0.00 H new ATOM 169 N ASP A 10 13.930 -9.471 -0.518 1.00 0.00 N ATOM 170 CA ASP A 10 12.743 -10.024 0.106 1.00 0.00 C ATOM 171 C ASP A 10 13.162 -10.896 1.277 1.00 0.00 C ATOM 172 O ASP A 10 14.132 -11.655 1.186 1.00 0.00 O ATOM 173 CB ASP A 10 11.910 -10.841 -0.891 1.00 0.00 C ATOM 174 CG ASP A 10 12.533 -12.182 -1.217 1.00 0.00 C ATOM 175 OD1 ASP A 10 12.060 -13.210 -0.689 1.00 0.00 O ATOM 176 OD2 ASP A 10 13.504 -12.218 -1.999 1.00 0.00 O ATOM 0 H ASP A 10 14.736 -10.095 -0.507 1.00 0.00 H new ATOM 0 HA ASP A 10 12.118 -9.202 0.456 1.00 0.00 H new ATOM 0 HB2 ASP A 10 10.913 -10.999 -0.480 1.00 0.00 H new ATOM 0 HB3 ASP A 10 11.789 -10.269 -1.811 1.00 0.00 H new ATOM 181 N LYS A 11 12.473 -10.741 2.388 1.00 0.00 N ATOM 182 CA LYS A 11 12.720 -11.571 3.557 1.00 0.00 C ATOM 183 C LYS A 11 11.422 -12.147 4.101 1.00 0.00 C ATOM 184 O LYS A 11 11.364 -12.621 5.233 1.00 0.00 O ATOM 185 CB LYS A 11 13.469 -10.783 4.640 1.00 0.00 C ATOM 186 CG LYS A 11 13.398 -9.266 4.500 1.00 0.00 C ATOM 187 CD LYS A 11 12.244 -8.652 5.291 1.00 0.00 C ATOM 188 CE LYS A 11 10.911 -8.792 4.569 1.00 0.00 C ATOM 189 NZ LYS A 11 9.821 -8.031 5.231 1.00 0.00 N ATOM 0 H LYS A 11 11.735 -10.047 2.510 1.00 0.00 H new ATOM 0 HA LYS A 11 13.352 -12.404 3.250 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.067 -11.062 5.614 1.00 0.00 H new ATOM 0 HB3 LYS A 11 14.516 -11.085 4.629 1.00 0.00 H new ATOM 0 HG2 LYS A 11 14.338 -8.830 4.839 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.289 -9.008 3.447 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.179 -9.133 6.267 1.00 0.00 H new ATOM 0 HD3 LYS A 11 12.449 -7.596 5.469 1.00 0.00 H new ATOM 0 HE2 LYS A 11 11.020 -8.444 3.542 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.637 -9.846 4.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.977 -8.033 4.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.592 -8.475 6.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.130 -7.051 5.391 1.00 0.00 H new ATOM 203 N LEU A 12 10.384 -12.112 3.280 1.00 0.00 N ATOM 204 CA LEU A 12 9.091 -12.659 3.660 1.00 0.00 C ATOM 205 C LEU A 12 8.390 -13.297 2.464 1.00 0.00 C ATOM 206 O LEU A 12 7.705 -12.623 1.696 1.00 0.00 O ATOM 207 CB LEU A 12 8.206 -11.572 4.278 1.00 0.00 C ATOM 208 CG LEU A 12 8.382 -11.357 5.782 1.00 0.00 C ATOM 209 CD1 LEU A 12 7.422 -10.288 6.276 1.00 0.00 C ATOM 210 CD2 LEU A 12 8.162 -12.657 6.537 1.00 0.00 C ATOM 0 H LEU A 12 10.412 -11.709 2.343 1.00 0.00 H new ATOM 0 HA LEU A 12 9.263 -13.435 4.406 1.00 0.00 H new ATOM 0 HB2 LEU A 12 8.408 -10.630 3.768 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.163 -11.823 4.084 1.00 0.00 H new ATOM 0 HG LEU A 12 9.403 -11.022 5.967 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.557 -10.145 7.348 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.622 -9.351 5.756 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.397 -10.600 6.078 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.292 -12.484 7.605 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.152 -13.021 6.348 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.884 -13.400 6.200 1.00 0.00 H new ATOM 222 N LYS A 13 8.585 -14.599 2.304 1.00 0.00 N ATOM 223 CA LYS A 13 7.926 -15.355 1.243 1.00 0.00 C ATOM 224 C LYS A 13 6.660 -16.018 1.767 1.00 0.00 C ATOM 225 O LYS A 13 6.316 -17.131 1.365 1.00 0.00 O ATOM 226 CB LYS A 13 8.856 -16.435 0.684 1.00 0.00 C ATOM 227 CG LYS A 13 10.117 -15.902 0.033 1.00 0.00 C ATOM 228 CD LYS A 13 10.884 -17.020 -0.655 1.00 0.00 C ATOM 229 CE LYS A 13 12.152 -16.513 -1.317 1.00 0.00 C ATOM 230 NZ LYS A 13 11.888 -15.363 -2.218 1.00 0.00 N ATOM 0 H LYS A 13 9.197 -15.158 2.898 1.00 0.00 H new ATOM 0 HA LYS A 13 7.670 -14.654 0.449 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.137 -17.109 1.493 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.306 -17.027 -0.048 1.00 0.00 H new ATOM 0 HG2 LYS A 13 9.859 -15.132 -0.694 1.00 0.00 H new ATOM 0 HG3 LYS A 13 10.749 -15.431 0.786 1.00 0.00 H new ATOM 0 HD2 LYS A 13 11.138 -17.789 0.075 1.00 0.00 H new ATOM 0 HD3 LYS A 13 10.247 -17.490 -1.404 1.00 0.00 H new ATOM 0 HE2 LYS A 13 12.867 -16.216 -0.550 1.00 0.00 H new ATOM 0 HE3 LYS A 13 12.612 -17.321 -1.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 12.689 -15.241 -2.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 11.022 -15.542 -2.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 11.768 -14.499 -1.652 1.00 0.00 H new ATOM 244 N LEU A 14 5.963 -15.339 2.659 1.00 0.00 N ATOM 245 CA LEU A 14 4.756 -15.895 3.245 1.00 0.00 C ATOM 246 C LEU A 14 3.586 -15.744 2.283 1.00 0.00 C ATOM 247 O LEU A 14 3.338 -14.654 1.766 1.00 0.00 O ATOM 248 CB LEU A 14 4.419 -15.210 4.570 1.00 0.00 C ATOM 249 CG LEU A 14 5.556 -15.147 5.593 1.00 0.00 C ATOM 250 CD1 LEU A 14 5.073 -14.479 6.872 1.00 0.00 C ATOM 251 CD2 LEU A 14 6.096 -16.537 5.893 1.00 0.00 C ATOM 0 H LEU A 14 6.209 -14.407 2.993 1.00 0.00 H new ATOM 0 HA LEU A 14 4.936 -16.953 3.437 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.089 -14.193 4.358 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.576 -15.731 5.023 1.00 0.00 H new ATOM 0 HG LEU A 14 6.366 -14.554 5.168 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.890 -14.440 7.593 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.737 -13.466 6.649 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.246 -15.052 7.292 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.903 -16.464 6.622 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.297 -17.159 6.297 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.476 -16.986 4.975 1.00 0.00 H new ATOM 263 N PRO A 15 2.868 -16.842 2.013 1.00 0.00 N ATOM 264 CA PRO A 15 1.670 -16.818 1.175 1.00 0.00 C ATOM 265 C PRO A 15 0.584 -15.986 1.835 1.00 0.00 C ATOM 266 O PRO A 15 0.105 -16.348 2.909 1.00 0.00 O ATOM 267 CB PRO A 15 1.252 -18.293 1.091 1.00 0.00 C ATOM 268 CG PRO A 15 2.455 -19.055 1.510 1.00 0.00 C ATOM 269 CD PRO A 15 3.150 -18.191 2.513 1.00 0.00 C ATOM 0 HA PRO A 15 1.843 -16.376 0.194 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.405 -18.501 1.744 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.947 -18.560 0.079 1.00 0.00 H new ATOM 0 HG2 PRO A 15 2.179 -20.016 1.945 1.00 0.00 H new ATOM 0 HG3 PRO A 15 3.102 -19.265 0.658 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.759 -18.341 3.519 1.00 0.00 H new ATOM 0 HD3 PRO A 15 4.220 -18.394 2.553 1.00 0.00 H new ATOM 277 N VAL A 16 0.213 -14.881 1.180 1.00 0.00 N ATOM 278 CA VAL A 16 -0.638 -13.835 1.758 1.00 0.00 C ATOM 279 C VAL A 16 -0.272 -13.535 3.206 1.00 0.00 C ATOM 280 O VAL A 16 -0.694 -14.197 4.157 1.00 0.00 O ATOM 281 CB VAL A 16 -2.161 -14.086 1.597 1.00 0.00 C ATOM 282 CG1 VAL A 16 -2.588 -15.449 2.115 1.00 0.00 C ATOM 283 CG2 VAL A 16 -2.964 -12.979 2.276 1.00 0.00 C ATOM 0 H VAL A 16 0.499 -14.685 0.221 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.427 -12.946 1.164 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.371 -14.074 0.527 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.662 -15.570 1.977 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.061 -16.229 1.565 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.347 -15.527 3.175 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.029 -13.174 2.152 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.721 -12.953 3.338 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.715 -12.019 1.823 1.00 0.00 H new ATOM 293 N ILE A 17 0.531 -12.511 3.337 1.00 0.00 N ATOM 294 CA ILE A 17 1.046 -12.077 4.621 1.00 0.00 C ATOM 295 C ILE A 17 -0.066 -11.377 5.398 1.00 0.00 C ATOM 296 O ILE A 17 -1.016 -10.872 4.793 1.00 0.00 O ATOM 297 CB ILE A 17 2.259 -11.129 4.421 1.00 0.00 C ATOM 298 CG1 ILE A 17 3.321 -11.803 3.550 1.00 0.00 C ATOM 299 CG2 ILE A 17 2.872 -10.723 5.747 1.00 0.00 C ATOM 300 CD1 ILE A 17 4.494 -10.907 3.208 1.00 0.00 C ATOM 0 H ILE A 17 0.852 -11.946 2.551 1.00 0.00 H new ATOM 0 HA ILE A 17 1.386 -12.943 5.189 1.00 0.00 H new ATOM 0 HB ILE A 17 1.895 -10.230 3.923 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.691 -12.689 4.066 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.855 -12.144 2.625 1.00 0.00 H new ATOM 0 HG21 ILE A 17 3.718 -10.060 5.569 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.126 -10.205 6.349 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.213 -11.612 6.277 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.203 -11.456 2.589 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.137 -10.033 2.663 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.986 -10.586 4.126 1.00 0.00 H new ATOM 312 N ASP A 18 0.048 -11.366 6.726 1.00 0.00 N ATOM 313 CA ASP A 18 -0.980 -10.805 7.605 1.00 0.00 C ATOM 314 C ASP A 18 -1.493 -9.462 7.106 1.00 0.00 C ATOM 315 O ASP A 18 -0.714 -8.580 6.731 1.00 0.00 O ATOM 316 CB ASP A 18 -0.438 -10.636 9.026 1.00 0.00 C ATOM 317 CG ASP A 18 -0.178 -11.957 9.711 1.00 0.00 C ATOM 318 OD1 ASP A 18 0.882 -12.568 9.454 1.00 0.00 O ATOM 319 OD2 ASP A 18 -1.024 -12.390 10.515 1.00 0.00 O ATOM 0 H ASP A 18 0.854 -11.745 7.223 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.811 -11.510 7.605 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.487 -10.061 8.992 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.150 -10.059 9.616 1.00 0.00 H new ATOM 324 N ASN A 19 -2.809 -9.315 7.107 1.00 0.00 N ATOM 325 CA ASN A 19 -3.446 -8.063 6.725 1.00 0.00 C ATOM 326 C ASN A 19 -3.041 -6.955 7.689 1.00 0.00 C ATOM 327 O ASN A 19 -2.962 -5.789 7.314 1.00 0.00 O ATOM 328 CB ASN A 19 -4.977 -8.217 6.690 1.00 0.00 C ATOM 329 CG ASN A 19 -5.571 -8.672 8.015 1.00 0.00 C ATOM 330 OD1 ASN A 19 -4.935 -9.389 8.790 1.00 0.00 O ATOM 331 ND2 ASN A 19 -6.804 -8.270 8.275 1.00 0.00 N ATOM 0 H ASN A 19 -3.462 -10.053 7.370 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.111 -7.796 5.723 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.424 -7.263 6.409 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.244 -8.935 5.915 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -7.261 -8.553 9.142 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.298 -7.677 7.608 1.00 0.00 H new ATOM 338 N LEU A 20 -2.758 -7.339 8.927 1.00 0.00 N ATOM 339 CA LEU A 20 -2.267 -6.417 9.932 1.00 0.00 C ATOM 340 C LEU A 20 -0.858 -5.942 9.587 1.00 0.00 C ATOM 341 O LEU A 20 -0.540 -4.767 9.747 1.00 0.00 O ATOM 342 CB LEU A 20 -2.284 -7.094 11.301 1.00 0.00 C ATOM 343 CG LEU A 20 -1.530 -6.356 12.404 1.00 0.00 C ATOM 344 CD1 LEU A 20 -2.099 -4.959 12.609 1.00 0.00 C ATOM 345 CD2 LEU A 20 -1.575 -7.154 13.694 1.00 0.00 C ATOM 0 H LEU A 20 -2.864 -8.298 9.258 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.919 -5.544 9.958 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.321 -7.219 11.613 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.859 -8.093 11.199 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.489 -6.250 12.100 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.545 -4.453 13.400 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.010 -4.391 11.683 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.149 -5.032 12.891 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.034 -6.617 14.473 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.612 -7.291 14.001 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.112 -8.128 13.536 1.00 0.00 H new ATOM 357 N PHE A 21 -0.022 -6.854 9.099 1.00 0.00 N ATOM 358 CA PHE A 21 1.326 -6.491 8.670 1.00 0.00 C ATOM 359 C PHE A 21 1.237 -5.498 7.521 1.00 0.00 C ATOM 360 O PHE A 21 2.045 -4.574 7.412 1.00 0.00 O ATOM 361 CB PHE A 21 2.119 -7.730 8.242 1.00 0.00 C ATOM 362 CG PHE A 21 3.543 -7.431 7.860 1.00 0.00 C ATOM 363 CD1 PHE A 21 3.910 -7.324 6.527 1.00 0.00 C ATOM 364 CD2 PHE A 21 4.513 -7.252 8.833 1.00 0.00 C ATOM 365 CE1 PHE A 21 5.217 -7.043 6.174 1.00 0.00 C ATOM 366 CE2 PHE A 21 5.821 -6.972 8.485 1.00 0.00 C ATOM 367 CZ PHE A 21 6.174 -6.867 7.153 1.00 0.00 C ATOM 0 H PHE A 21 -0.251 -7.842 8.991 1.00 0.00 H new ATOM 0 HA PHE A 21 1.851 -6.033 9.508 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.115 -8.453 9.057 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.616 -8.199 7.397 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.167 -7.462 5.756 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.244 -7.332 9.876 1.00 0.00 H new ATOM 0 HE1 PHE A 21 5.489 -6.961 5.132 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.567 -6.835 9.254 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.195 -6.648 6.879 1.00 0.00 H new ATOM 377 N GLY A 22 0.241 -5.697 6.669 1.00 0.00 N ATOM 378 CA GLY A 22 -0.034 -4.746 5.620 1.00 0.00 C ATOM 379 C GLY A 22 -0.502 -3.426 6.192 1.00 0.00 C ATOM 380 O GLY A 22 0.033 -2.377 5.855 1.00 0.00 O ATOM 0 H GLY A 22 -0.382 -6.505 6.689 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.864 -4.589 5.022 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.796 -5.147 4.952 1.00 0.00 H new ATOM 384 N LYS A 23 -1.488 -3.489 7.081 1.00 0.00 N ATOM 385 CA LYS A 23 -2.017 -2.309 7.743 1.00 0.00 C ATOM 386 C LYS A 23 -0.898 -1.498 8.387 1.00 0.00 C ATOM 387 O LYS A 23 -0.937 -0.270 8.394 1.00 0.00 O ATOM 388 CB LYS A 23 -3.050 -2.724 8.789 1.00 0.00 C ATOM 389 CG LYS A 23 -4.444 -2.932 8.222 1.00 0.00 C ATOM 390 CD LYS A 23 -4.990 -1.649 7.611 1.00 0.00 C ATOM 391 CE LYS A 23 -6.411 -1.827 7.099 1.00 0.00 C ATOM 392 NZ LYS A 23 -7.359 -2.169 8.192 1.00 0.00 N ATOM 0 H LYS A 23 -1.940 -4.360 7.360 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.500 -1.677 6.997 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.720 -3.647 9.266 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.094 -1.961 9.566 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.418 -3.715 7.465 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.113 -3.274 9.012 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.969 -0.854 8.356 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.345 -1.334 6.791 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.738 -0.909 6.610 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.429 -2.614 6.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.335 -2.033 7.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.223 -3.161 8.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.183 -1.552 9.010 1.00 0.00 H new ATOM 406 N GLU A 24 0.100 -2.198 8.905 1.00 0.00 N ATOM 407 CA GLU A 24 1.286 -1.581 9.445 1.00 0.00 C ATOM 408 C GLU A 24 2.014 -0.765 8.380 1.00 0.00 C ATOM 409 O GLU A 24 2.261 0.424 8.573 1.00 0.00 O ATOM 410 CB GLU A 24 2.183 -2.667 9.999 1.00 0.00 C ATOM 411 CG GLU A 24 1.769 -3.135 11.376 1.00 0.00 C ATOM 412 CD GLU A 24 2.010 -2.092 12.445 1.00 0.00 C ATOM 413 OE1 GLU A 24 1.148 -1.203 12.628 1.00 0.00 O ATOM 414 OE2 GLU A 24 3.061 -2.157 13.115 1.00 0.00 O ATOM 0 H GLU A 24 0.103 -3.217 8.959 1.00 0.00 H new ATOM 0 HA GLU A 24 1.007 -0.892 10.242 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.178 -3.517 9.317 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.208 -2.297 10.040 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.711 -3.398 11.363 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.320 -4.041 11.628 1.00 0.00 H new ATOM 421 N LEU A 25 2.339 -1.412 7.258 1.00 0.00 N ATOM 422 CA LEU A 25 2.963 -0.739 6.119 1.00 0.00 C ATOM 423 C LEU A 25 2.150 0.486 5.718 1.00 0.00 C ATOM 424 O LEU A 25 2.604 1.625 5.829 1.00 0.00 O ATOM 425 CB LEU A 25 3.011 -1.677 4.910 1.00 0.00 C ATOM 426 CG LEU A 25 3.703 -3.014 5.121 1.00 0.00 C ATOM 427 CD1 LEU A 25 3.429 -3.930 3.941 1.00 0.00 C ATOM 428 CD2 LEU A 25 5.197 -2.820 5.317 1.00 0.00 C ATOM 0 H LEU A 25 2.178 -2.409 7.115 1.00 0.00 H new ATOM 0 HA LEU A 25 3.970 -0.447 6.416 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.988 -1.869 4.585 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.513 -1.157 4.094 1.00 0.00 H new ATOM 0 HG LEU A 25 3.304 -3.477 6.023 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.928 -4.886 4.099 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.355 -4.092 3.848 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.807 -3.470 3.028 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.673 -3.789 5.466 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.620 -2.340 4.435 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.371 -2.192 6.191 1.00 0.00 H new ATOM 440 N LEU A 26 0.924 0.219 5.285 1.00 0.00 N ATOM 441 CA LEU A 26 0.059 1.226 4.697 1.00 0.00 C ATOM 442 C LEU A 26 -0.146 2.409 5.631 1.00 0.00 C ATOM 443 O LEU A 26 -0.252 3.544 5.183 1.00 0.00 O ATOM 444 CB LEU A 26 -1.296 0.613 4.329 1.00 0.00 C ATOM 445 CG LEU A 26 -1.326 -0.240 3.052 1.00 0.00 C ATOM 446 CD1 LEU A 26 -0.471 -1.474 3.193 1.00 0.00 C ATOM 447 CD2 LEU A 26 -2.756 -0.614 2.699 1.00 0.00 C ATOM 0 H LEU A 26 0.502 -0.709 5.334 1.00 0.00 H new ATOM 0 HA LEU A 26 0.549 1.592 3.795 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.631 -0.005 5.162 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.020 1.421 4.220 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.911 0.357 2.240 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.515 -2.054 2.271 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.561 -1.181 3.389 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.840 -2.079 4.021 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.761 -1.218 1.792 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.195 -1.184 3.517 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.339 0.292 2.534 1.00 0.00 H new ATOM 459 N ASP A 27 -0.206 2.138 6.924 1.00 0.00 N ATOM 460 CA ASP A 27 -0.376 3.193 7.923 1.00 0.00 C ATOM 461 C ASP A 27 0.841 4.121 7.956 1.00 0.00 C ATOM 462 O ASP A 27 0.703 5.333 8.123 1.00 0.00 O ATOM 463 CB ASP A 27 -0.604 2.585 9.309 1.00 0.00 C ATOM 464 CG ASP A 27 -0.921 3.626 10.366 1.00 0.00 C ATOM 465 OD1 ASP A 27 0.020 4.140 11.002 1.00 0.00 O ATOM 466 OD2 ASP A 27 -2.115 3.920 10.584 1.00 0.00 O ATOM 0 H ASP A 27 -0.140 1.197 7.312 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.250 3.781 7.643 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.423 1.868 9.255 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.286 2.031 9.608 1.00 0.00 H new ATOM 471 N LYS A 28 2.026 3.546 7.763 1.00 0.00 N ATOM 472 CA LYS A 28 3.277 4.302 7.811 1.00 0.00 C ATOM 473 C LYS A 28 3.407 5.234 6.611 1.00 0.00 C ATOM 474 O LYS A 28 3.974 6.323 6.716 1.00 0.00 O ATOM 475 CB LYS A 28 4.481 3.352 7.836 1.00 0.00 C ATOM 476 CG LYS A 28 4.488 2.391 9.010 1.00 0.00 C ATOM 477 CD LYS A 28 5.608 1.369 8.887 1.00 0.00 C ATOM 478 CE LYS A 28 5.527 0.315 9.978 1.00 0.00 C ATOM 479 NZ LYS A 28 5.720 0.897 11.332 1.00 0.00 N ATOM 0 H LYS A 28 2.147 2.552 7.570 1.00 0.00 H new ATOM 0 HA LYS A 28 3.260 4.898 8.723 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.496 2.777 6.910 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.396 3.943 7.859 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.604 2.950 9.938 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.529 1.876 9.066 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.556 0.887 7.911 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.571 1.876 8.941 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.557 -0.181 9.932 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.284 -0.449 9.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.742 0.134 12.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.618 1.420 11.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.935 1.545 11.547 1.00 0.00 H new ATOM 493 N PHE A 29 2.899 4.798 5.469 1.00 0.00 N ATOM 494 CA PHE A 29 3.034 5.569 4.234 1.00 0.00 C ATOM 495 C PHE A 29 1.757 6.333 3.924 1.00 0.00 C ATOM 496 O PHE A 29 1.699 7.084 2.949 1.00 0.00 O ATOM 497 CB PHE A 29 3.355 4.644 3.059 1.00 0.00 C ATOM 498 CG PHE A 29 4.365 3.591 3.389 1.00 0.00 C ATOM 499 CD1 PHE A 29 4.004 2.258 3.416 1.00 0.00 C ATOM 500 CD2 PHE A 29 5.665 3.933 3.692 1.00 0.00 C ATOM 501 CE1 PHE A 29 4.926 1.283 3.743 1.00 0.00 C ATOM 502 CE2 PHE A 29 6.589 2.963 4.014 1.00 0.00 C ATOM 503 CZ PHE A 29 6.221 1.637 4.042 1.00 0.00 C ATOM 0 H PHE A 29 2.391 3.919 5.367 1.00 0.00 H new ATOM 0 HA PHE A 29 3.849 6.279 4.378 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.436 4.163 2.724 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.724 5.242 2.226 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.989 1.975 3.179 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.962 4.971 3.677 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.631 0.244 3.764 1.00 0.00 H new ATOM 0 HE2 PHE A 29 7.606 3.244 4.245 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.946 0.878 4.298 1.00 0.00 H new ATOM 513 N GLN A 30 0.746 6.154 4.769 1.00 0.00 N ATOM 514 CA GLN A 30 -0.594 6.649 4.488 1.00 0.00 C ATOM 515 C GLN A 30 -0.604 8.156 4.268 1.00 0.00 C ATOM 516 O GLN A 30 -1.414 8.665 3.502 1.00 0.00 O ATOM 517 CB GLN A 30 -1.544 6.276 5.625 1.00 0.00 C ATOM 518 CG GLN A 30 -1.660 7.321 6.698 1.00 0.00 C ATOM 519 CD GLN A 30 -2.673 6.960 7.762 1.00 0.00 C ATOM 520 OE1 GLN A 30 -3.854 7.288 7.651 1.00 0.00 O ATOM 521 NE2 GLN A 30 -2.216 6.288 8.804 1.00 0.00 N ATOM 0 H GLN A 30 0.833 5.666 5.660 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.934 6.177 3.566 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -2.534 6.087 5.209 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.204 5.344 6.076 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.686 7.465 7.165 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.940 8.272 6.244 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -1.229 6.036 8.856 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.850 6.021 9.557 1.00 0.00 H new ATOM 530 N ASP A 31 0.306 8.861 4.929 1.00 0.00 N ATOM 531 CA ASP A 31 0.374 10.310 4.814 1.00 0.00 C ATOM 532 C ASP A 31 0.687 10.720 3.383 1.00 0.00 C ATOM 533 O ASP A 31 0.113 11.669 2.863 1.00 0.00 O ATOM 534 CB ASP A 31 1.425 10.879 5.768 1.00 0.00 C ATOM 535 CG ASP A 31 1.474 12.394 5.738 1.00 0.00 C ATOM 536 OD1 ASP A 31 0.615 13.032 6.384 1.00 0.00 O ATOM 537 OD2 ASP A 31 2.380 12.954 5.088 1.00 0.00 O ATOM 0 H ASP A 31 1.005 8.452 5.549 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.599 10.717 5.088 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.209 10.545 6.783 1.00 0.00 H new ATOM 0 HB3 ASP A 31 2.405 10.481 5.504 1.00 0.00 H new ATOM 542 N ASP A 32 1.568 9.969 2.736 1.00 0.00 N ATOM 543 CA ASP A 32 1.948 10.253 1.359 1.00 0.00 C ATOM 544 C ASP A 32 0.947 9.640 0.401 1.00 0.00 C ATOM 545 O ASP A 32 0.703 10.163 -0.684 1.00 0.00 O ATOM 546 CB ASP A 32 3.358 9.741 1.068 1.00 0.00 C ATOM 547 CG ASP A 32 4.414 10.693 1.578 1.00 0.00 C ATOM 548 OD1 ASP A 32 4.813 10.575 2.753 1.00 0.00 O ATOM 549 OD2 ASP A 32 4.850 11.567 0.804 1.00 0.00 O ATOM 0 H ASP A 32 2.033 9.158 3.143 1.00 0.00 H new ATOM 0 HA ASP A 32 1.947 11.334 1.217 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.494 8.764 1.532 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.481 9.603 -0.006 1.00 0.00 H new ATOM 554 N ILE A 33 0.355 8.534 0.820 1.00 0.00 N ATOM 555 CA ILE A 33 -0.721 7.910 0.069 1.00 0.00 C ATOM 556 C ILE A 33 -1.926 8.848 0.013 1.00 0.00 C ATOM 557 O ILE A 33 -2.669 8.890 -0.966 1.00 0.00 O ATOM 558 CB ILE A 33 -1.126 6.564 0.714 1.00 0.00 C ATOM 559 CG1 ILE A 33 0.083 5.622 0.744 1.00 0.00 C ATOM 560 CG2 ILE A 33 -2.280 5.928 -0.050 1.00 0.00 C ATOM 561 CD1 ILE A 33 -0.139 4.340 1.519 1.00 0.00 C ATOM 0 H ILE A 33 0.603 8.048 1.681 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.371 7.715 -0.945 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.459 6.748 1.736 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.357 5.370 -0.281 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.930 6.152 1.179 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.550 4.982 0.420 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.139 6.598 -0.036 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.978 5.748 -1.082 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.767 3.734 1.488 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.381 4.578 2.555 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.963 3.783 1.073 1.00 0.00 H new ATOM 573 N LYS A 34 -2.083 9.626 1.066 1.00 0.00 N ATOM 574 CA LYS A 34 -3.175 10.567 1.179 1.00 0.00 C ATOM 575 C LYS A 34 -2.780 11.902 0.568 1.00 0.00 C ATOM 576 O LYS A 34 -3.582 12.562 -0.086 1.00 0.00 O ATOM 577 CB LYS A 34 -3.533 10.721 2.641 1.00 0.00 C ATOM 578 CG LYS A 34 -4.860 11.404 2.886 1.00 0.00 C ATOM 579 CD LYS A 34 -5.289 11.177 4.315 1.00 0.00 C ATOM 580 CE LYS A 34 -6.716 11.623 4.562 1.00 0.00 C ATOM 581 NZ LYS A 34 -7.111 11.412 5.978 1.00 0.00 N ATOM 0 H LYS A 34 -1.454 9.622 1.869 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.045 10.199 0.635 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.554 9.735 3.104 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.747 11.290 3.138 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.773 12.472 2.687 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.614 11.013 2.203 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.194 10.119 4.557 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.620 11.718 4.984 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.819 12.678 4.307 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.390 11.070 3.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.093 11.727 6.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.036 10.402 6.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.482 11.960 6.599 1.00 0.00 H new ATOM 595 N ASP A 35 -1.532 12.285 0.780 1.00 0.00 N ATOM 596 CA ASP A 35 -0.985 13.498 0.188 1.00 0.00 C ATOM 597 C ASP A 35 -1.050 13.452 -1.333 1.00 0.00 C ATOM 598 O ASP A 35 -1.452 14.418 -1.979 1.00 0.00 O ATOM 599 CB ASP A 35 0.458 13.700 0.636 1.00 0.00 C ATOM 600 CG ASP A 35 1.148 14.820 -0.112 1.00 0.00 C ATOM 601 OD1 ASP A 35 0.706 15.981 0.003 1.00 0.00 O ATOM 602 OD2 ASP A 35 2.137 14.544 -0.823 1.00 0.00 O ATOM 0 H ASP A 35 -0.872 11.769 1.363 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.591 14.337 0.530 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.476 13.916 1.704 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.013 12.774 0.489 1.00 0.00 H new ATOM 607 N LYS A 36 -0.655 12.323 -1.900 1.00 0.00 N ATOM 608 CA LYS A 36 -0.637 12.162 -3.346 1.00 0.00 C ATOM 609 C LYS A 36 -2.013 11.838 -3.900 1.00 0.00 C ATOM 610 O LYS A 36 -2.503 12.499 -4.816 1.00 0.00 O ATOM 611 CB LYS A 36 0.319 11.054 -3.743 1.00 0.00 C ATOM 612 CG LYS A 36 1.767 11.388 -3.501 1.00 0.00 C ATOM 613 CD LYS A 36 2.617 10.169 -3.709 1.00 0.00 C ATOM 614 CE LYS A 36 4.089 10.460 -3.493 1.00 0.00 C ATOM 615 NZ LYS A 36 4.590 11.505 -4.423 1.00 0.00 N ATOM 0 H LYS A 36 -0.342 11.503 -1.380 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.308 13.113 -3.765 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.066 10.151 -3.187 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.179 10.827 -4.800 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.084 12.182 -4.178 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.897 11.763 -2.486 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.298 9.383 -3.024 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.467 9.790 -4.720 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.248 10.783 -2.464 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.664 9.545 -3.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.630 11.498 -4.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.240 11.312 -5.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.251 12.438 -4.112 1.00 0.00 H new ATOM 629 N TYR A 37 -2.634 10.816 -3.338 1.00 0.00 N ATOM 630 CA TYR A 37 -3.817 10.228 -3.941 1.00 0.00 C ATOM 631 C TYR A 37 -5.085 10.627 -3.193 1.00 0.00 C ATOM 632 O TYR A 37 -6.152 10.751 -3.791 1.00 0.00 O ATOM 633 CB TYR A 37 -3.668 8.706 -3.963 1.00 0.00 C ATOM 634 CG TYR A 37 -2.314 8.230 -4.454 1.00 0.00 C ATOM 635 CD1 TYR A 37 -2.020 8.158 -5.811 1.00 0.00 C ATOM 636 CD2 TYR A 37 -1.331 7.842 -3.552 1.00 0.00 C ATOM 637 CE1 TYR A 37 -0.787 7.710 -6.252 1.00 0.00 C ATOM 638 CE2 TYR A 37 -0.097 7.398 -3.983 1.00 0.00 C ATOM 639 CZ TYR A 37 0.171 7.332 -5.333 1.00 0.00 C ATOM 640 OH TYR A 37 1.397 6.872 -5.761 1.00 0.00 O ATOM 0 H TYR A 37 -2.339 10.376 -2.466 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.909 10.604 -4.960 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -3.836 8.319 -2.958 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.444 8.284 -4.601 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -2.766 8.457 -6.533 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.536 7.889 -2.493 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.576 7.656 -7.310 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.655 7.104 -3.266 1.00 0.00 H new ATOM 0 HH TYR A 37 1.952 6.650 -4.985 1.00 0.00 H new ATOM 650 N GLY A 38 -4.960 10.843 -1.895 1.00 0.00 N ATOM 651 CA GLY A 38 -6.118 11.171 -1.082 1.00 0.00 C ATOM 652 C GLY A 38 -6.828 9.928 -0.589 1.00 0.00 C ATOM 653 O GLY A 38 -8.041 9.782 -0.745 1.00 0.00 O ATOM 0 H GLY A 38 -4.078 10.798 -1.385 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.805 11.773 -0.229 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.811 11.779 -1.664 1.00 0.00 H new ATOM 657 N VAL A 39 -6.065 9.025 0.004 1.00 0.00 N ATOM 658 CA VAL A 39 -6.586 7.748 0.442 1.00 0.00 C ATOM 659 C VAL A 39 -6.371 7.558 1.939 1.00 0.00 C ATOM 660 O VAL A 39 -5.406 8.068 2.502 1.00 0.00 O ATOM 661 CB VAL A 39 -5.866 6.602 -0.282 1.00 0.00 C ATOM 662 CG1 VAL A 39 -6.555 5.276 -0.028 1.00 0.00 C ATOM 663 CG2 VAL A 39 -5.757 6.871 -1.774 1.00 0.00 C ATOM 0 H VAL A 39 -5.072 9.159 0.193 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.652 7.736 0.214 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.856 6.544 0.124 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.023 4.483 -0.553 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.556 5.066 1.041 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.582 5.325 -0.389 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.242 6.040 -2.257 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.755 6.975 -2.199 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.195 7.791 -1.938 1.00 0.00 H new ATOM 673 N ASP A 40 -7.269 6.821 2.566 1.00 0.00 N ATOM 674 CA ASP A 40 -7.075 6.383 3.939 1.00 0.00 C ATOM 675 C ASP A 40 -6.774 4.893 3.933 1.00 0.00 C ATOM 676 O ASP A 40 -7.602 4.088 3.501 1.00 0.00 O ATOM 677 CB ASP A 40 -8.309 6.663 4.796 1.00 0.00 C ATOM 678 CG ASP A 40 -8.067 6.358 6.262 1.00 0.00 C ATOM 679 OD1 ASP A 40 -7.996 5.170 6.629 1.00 0.00 O ATOM 680 OD2 ASP A 40 -7.944 7.312 7.055 1.00 0.00 O ATOM 0 H ASP A 40 -8.145 6.511 2.145 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.243 6.938 4.373 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -8.596 7.709 4.686 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.144 6.063 4.435 1.00 0.00 H new ATOM 685 N THR A 41 -5.594 4.526 4.400 1.00 0.00 N ATOM 686 CA THR A 41 -5.119 3.157 4.278 1.00 0.00 C ATOM 687 C THR A 41 -5.730 2.242 5.328 1.00 0.00 C ATOM 688 O THR A 41 -5.791 1.027 5.145 1.00 0.00 O ATOM 689 CB THR A 41 -3.594 3.102 4.385 1.00 0.00 C ATOM 690 OG1 THR A 41 -3.170 3.698 5.617 1.00 0.00 O ATOM 691 CG2 THR A 41 -2.955 3.832 3.217 1.00 0.00 C ATOM 0 H THR A 41 -4.945 5.158 4.869 1.00 0.00 H new ATOM 0 HA THR A 41 -5.432 2.803 3.295 1.00 0.00 H new ATOM 0 HB THR A 41 -3.281 2.058 4.362 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.829 3.002 6.217 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.870 3.784 3.308 1.00 0.00 H new ATOM 0 HG22 THR A 41 -3.262 3.363 2.282 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.274 4.874 3.221 1.00 0.00 H new ATOM 699 N LYS A 42 -6.189 2.826 6.420 1.00 0.00 N ATOM 700 CA LYS A 42 -6.784 2.062 7.495 1.00 0.00 C ATOM 701 C LYS A 42 -8.211 1.694 7.121 1.00 0.00 C ATOM 702 O LYS A 42 -8.791 0.751 7.660 1.00 0.00 O ATOM 703 CB LYS A 42 -6.754 2.884 8.779 1.00 0.00 C ATOM 704 CG LYS A 42 -5.402 3.528 9.044 1.00 0.00 C ATOM 705 CD LYS A 42 -5.407 4.358 10.316 1.00 0.00 C ATOM 706 CE LYS A 42 -5.408 3.487 11.560 1.00 0.00 C ATOM 707 NZ LYS A 42 -4.183 2.648 11.653 1.00 0.00 N ATOM 0 H LYS A 42 -6.160 3.832 6.584 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.219 1.144 7.658 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.515 3.662 8.723 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.015 2.242 9.620 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.640 2.753 9.120 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.130 4.161 8.199 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.532 5.008 10.329 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.285 5.004 10.324 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.483 4.119 12.445 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.288 2.844 11.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.771 2.739 12.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.429 1.653 11.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.491 2.965 10.944 1.00 0.00 H new ATOM 721 N ASP A 43 -8.749 2.440 6.168 1.00 0.00 N ATOM 722 CA ASP A 43 -10.092 2.217 5.660 1.00 0.00 C ATOM 723 C ASP A 43 -10.048 1.209 4.523 1.00 0.00 C ATOM 724 O ASP A 43 -11.015 0.487 4.267 1.00 0.00 O ATOM 725 CB ASP A 43 -10.689 3.544 5.181 1.00 0.00 C ATOM 726 CG ASP A 43 -12.024 3.384 4.487 1.00 0.00 C ATOM 727 OD1 ASP A 43 -12.065 3.476 3.240 1.00 0.00 O ATOM 728 OD2 ASP A 43 -13.041 3.177 5.183 1.00 0.00 O ATOM 0 H ASP A 43 -8.264 3.220 5.724 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.722 1.818 6.455 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -10.809 4.210 6.036 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -9.988 4.025 4.499 1.00 0.00 H new ATOM 733 N LEU A 44 -8.900 1.159 3.857 1.00 0.00 N ATOM 734 CA LEU A 44 -8.681 0.234 2.757 1.00 0.00 C ATOM 735 C LEU A 44 -8.826 -1.206 3.221 1.00 0.00 C ATOM 736 O LEU A 44 -8.476 -1.548 4.352 1.00 0.00 O ATOM 737 CB LEU A 44 -7.289 0.435 2.159 1.00 0.00 C ATOM 738 CG LEU A 44 -7.056 1.780 1.477 1.00 0.00 C ATOM 739 CD1 LEU A 44 -5.627 1.872 0.969 1.00 0.00 C ATOM 740 CD2 LEU A 44 -8.044 1.976 0.336 1.00 0.00 C ATOM 0 H LEU A 44 -8.100 1.756 4.065 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.435 0.438 1.997 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.551 0.317 2.952 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.106 -0.357 1.433 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.215 2.573 2.207 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.474 2.836 0.485 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.936 1.773 1.806 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.444 1.073 0.251 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.864 2.940 -0.140 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.915 1.180 -0.397 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.061 1.948 0.727 1.00 0.00 H new ATOM 752 N LYS A 45 -9.348 -2.042 2.347 1.00 0.00 N ATOM 753 CA LYS A 45 -9.530 -3.446 2.653 1.00 0.00 C ATOM 754 C LYS A 45 -8.372 -4.252 2.093 1.00 0.00 C ATOM 755 O LYS A 45 -8.299 -4.482 0.890 1.00 0.00 O ATOM 756 CB LYS A 45 -10.839 -3.941 2.051 1.00 0.00 C ATOM 757 CG LYS A 45 -11.220 -5.346 2.476 1.00 0.00 C ATOM 758 CD LYS A 45 -12.393 -5.850 1.661 1.00 0.00 C ATOM 759 CE LYS A 45 -12.907 -7.181 2.176 1.00 0.00 C ATOM 760 NZ LYS A 45 -13.946 -7.744 1.277 1.00 0.00 N ATOM 0 H LYS A 45 -9.655 -1.771 1.413 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.562 -3.572 3.735 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.639 -3.257 2.334 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.762 -3.909 0.964 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.368 -6.014 2.349 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.476 -5.354 3.535 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -13.197 -5.115 1.688 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.093 -5.955 0.618 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.079 -7.884 2.262 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -13.320 -7.051 3.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -14.277 -8.654 1.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -14.746 -7.083 1.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.543 -7.890 0.329 1.00 0.00 H new ATOM 774 N ILE A 46 -7.464 -4.667 2.954 1.00 0.00 N ATOM 775 CA ILE A 46 -6.304 -5.411 2.508 1.00 0.00 C ATOM 776 C ILE A 46 -6.676 -6.851 2.188 1.00 0.00 C ATOM 777 O ILE A 46 -7.211 -7.583 3.023 1.00 0.00 O ATOM 778 CB ILE A 46 -5.156 -5.359 3.534 1.00 0.00 C ATOM 779 CG1 ILE A 46 -4.702 -3.903 3.714 1.00 0.00 C ATOM 780 CG2 ILE A 46 -3.998 -6.242 3.079 1.00 0.00 C ATOM 781 CD1 ILE A 46 -3.505 -3.727 4.616 1.00 0.00 C ATOM 0 H ILE A 46 -7.506 -4.503 3.960 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.945 -4.934 1.596 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.507 -5.739 4.494 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.468 -3.485 2.735 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.533 -3.324 4.117 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.194 -6.195 3.814 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.342 -7.272 2.982 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.629 -5.891 2.115 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.254 -2.668 4.686 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.738 -4.111 5.609 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.657 -4.274 4.206 1.00 0.00 H new ATOM 793 N LEU A 47 -6.407 -7.230 0.954 1.00 0.00 N ATOM 794 CA LEU A 47 -6.733 -8.547 0.448 1.00 0.00 C ATOM 795 C LEU A 47 -5.560 -9.483 0.669 1.00 0.00 C ATOM 796 O LEU A 47 -5.713 -10.596 1.171 1.00 0.00 O ATOM 797 CB LEU A 47 -7.018 -8.466 -1.053 1.00 0.00 C ATOM 798 CG LEU A 47 -7.764 -7.215 -1.519 1.00 0.00 C ATOM 799 CD1 LEU A 47 -7.939 -7.236 -3.029 1.00 0.00 C ATOM 800 CD2 LEU A 47 -9.113 -7.102 -0.828 1.00 0.00 C ATOM 0 H LEU A 47 -5.952 -6.626 0.269 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.612 -8.921 0.974 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.070 -8.522 -1.588 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.599 -9.342 -1.342 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.170 -6.342 -1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.472 -6.339 -3.346 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.960 -7.265 -3.508 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.511 -8.118 -3.317 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -9.626 -6.205 -1.175 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -9.717 -7.979 -1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.966 -7.041 0.250 1.00 0.00 H new ATOM 812 N LYS A 48 -4.383 -9.008 0.290 1.00 0.00 N ATOM 813 CA LYS A 48 -3.180 -9.813 0.318 1.00 0.00 C ATOM 814 C LYS A 48 -1.947 -8.961 0.517 1.00 0.00 C ATOM 815 O LYS A 48 -1.546 -8.211 -0.374 1.00 0.00 O ATOM 816 CB LYS A 48 -3.038 -10.608 -0.977 1.00 0.00 C ATOM 817 CG LYS A 48 -3.532 -12.029 -0.854 1.00 0.00 C ATOM 818 CD LYS A 48 -3.473 -12.764 -2.181 1.00 0.00 C ATOM 819 CE LYS A 48 -4.148 -14.123 -2.096 1.00 0.00 C ATOM 820 NZ LYS A 48 -5.586 -14.007 -1.742 1.00 0.00 N ATOM 0 H LYS A 48 -4.239 -8.055 -0.044 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.269 -10.498 1.161 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.592 -10.104 -1.769 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.990 -10.618 -1.278 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.930 -12.561 -0.117 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.558 -12.026 -0.485 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.956 -12.164 -2.952 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.433 -12.891 -2.482 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.050 -14.637 -3.052 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.639 -14.735 -1.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.076 -14.891 -1.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.679 -13.830 -0.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.011 -13.218 -2.270 1.00 0.00 H new ATOM 834 N THR A 49 -1.359 -9.073 1.686 1.00 0.00 N ATOM 835 CA THR A 49 -0.071 -8.465 1.940 1.00 0.00 C ATOM 836 C THR A 49 1.010 -9.381 1.387 1.00 0.00 C ATOM 837 O THR A 49 0.991 -10.580 1.638 1.00 0.00 O ATOM 838 CB THR A 49 0.166 -8.251 3.446 1.00 0.00 C ATOM 839 OG1 THR A 49 -0.987 -7.647 4.045 1.00 0.00 O ATOM 840 CG2 THR A 49 1.385 -7.372 3.683 1.00 0.00 C ATOM 0 H THR A 49 -1.752 -9.581 2.478 1.00 0.00 H new ATOM 0 HA THR A 49 -0.043 -7.489 1.455 1.00 0.00 H new ATOM 0 HB THR A 49 0.344 -9.224 3.904 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.027 -7.888 4.994 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.532 -7.235 4.754 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.266 -7.849 3.254 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.231 -6.402 3.211 1.00 0.00 H new ATOM 848 N SER A 50 1.911 -8.847 0.592 1.00 0.00 N ATOM 849 CA SER A 50 3.007 -9.640 0.066 1.00 0.00 C ATOM 850 C SER A 50 4.188 -8.737 -0.261 1.00 0.00 C ATOM 851 O SER A 50 4.114 -7.520 -0.081 1.00 0.00 O ATOM 852 CB SER A 50 2.569 -10.394 -1.194 1.00 0.00 C ATOM 853 OG SER A 50 1.412 -11.178 -0.947 1.00 0.00 O ATOM 0 H SER A 50 1.909 -7.871 0.295 1.00 0.00 H new ATOM 0 HA SER A 50 3.304 -10.366 0.823 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.365 -9.683 -1.994 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.380 -11.036 -1.537 1.00 0.00 H new ATOM 0 HG SER A 50 1.341 -11.363 0.013 1.00 0.00 H new ATOM 859 N GLU A 51 5.270 -9.328 -0.738 1.00 0.00 N ATOM 860 CA GLU A 51 6.424 -8.559 -1.164 1.00 0.00 C ATOM 861 C GLU A 51 7.256 -9.341 -2.166 1.00 0.00 C ATOM 862 O GLU A 51 7.142 -10.566 -2.275 1.00 0.00 O ATOM 863 CB GLU A 51 7.293 -8.158 0.030 1.00 0.00 C ATOM 864 CG GLU A 51 7.893 -9.329 0.787 1.00 0.00 C ATOM 865 CD GLU A 51 8.840 -8.882 1.878 1.00 0.00 C ATOM 866 OE1 GLU A 51 10.060 -8.784 1.610 1.00 0.00 O ATOM 867 OE2 GLU A 51 8.376 -8.609 3.001 1.00 0.00 O ATOM 0 H GLU A 51 5.372 -10.338 -0.840 1.00 0.00 H new ATOM 0 HA GLU A 51 6.054 -7.653 -1.644 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.100 -7.516 -0.322 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.692 -7.565 0.719 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.092 -9.924 1.226 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.425 -9.976 0.089 1.00 0.00 H new ATOM 874 N ASP A 52 8.077 -8.622 -2.900 1.00 0.00 N ATOM 875 CA ASP A 52 9.002 -9.221 -3.842 1.00 0.00 C ATOM 876 C ASP A 52 10.346 -8.508 -3.707 1.00 0.00 C ATOM 877 O ASP A 52 10.606 -7.878 -2.677 1.00 0.00 O ATOM 878 CB ASP A 52 8.452 -9.107 -5.271 1.00 0.00 C ATOM 879 CG ASP A 52 9.057 -10.128 -6.216 1.00 0.00 C ATOM 880 OD1 ASP A 52 8.475 -11.225 -6.364 1.00 0.00 O ATOM 881 OD2 ASP A 52 10.114 -9.842 -6.808 1.00 0.00 O ATOM 0 H ASP A 52 8.123 -7.604 -2.862 1.00 0.00 H new ATOM 0 HA ASP A 52 9.131 -10.282 -3.628 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.370 -9.234 -5.250 1.00 0.00 H new ATOM 0 HB3 ASP A 52 8.648 -8.105 -5.652 1.00 0.00 H new ATOM 886 N LYS A 53 11.185 -8.594 -4.728 1.00 0.00 N ATOM 887 CA LYS A 53 12.507 -7.984 -4.694 1.00 0.00 C ATOM 888 C LYS A 53 12.402 -6.462 -4.606 1.00 0.00 C ATOM 889 O LYS A 53 11.998 -5.809 -5.563 1.00 0.00 O ATOM 890 CB LYS A 53 13.307 -8.372 -5.941 1.00 0.00 C ATOM 891 CG LYS A 53 13.379 -9.870 -6.198 1.00 0.00 C ATOM 892 CD LYS A 53 14.079 -10.609 -5.071 1.00 0.00 C ATOM 893 CE LYS A 53 14.152 -12.100 -5.355 1.00 0.00 C ATOM 894 NZ LYS A 53 14.748 -12.854 -4.222 1.00 0.00 N ATOM 0 H LYS A 53 10.972 -9.084 -5.597 1.00 0.00 H new ATOM 0 HA LYS A 53 13.023 -8.352 -3.807 1.00 0.00 H new ATOM 0 HB2 LYS A 53 12.861 -7.887 -6.810 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.320 -7.983 -5.844 1.00 0.00 H new ATOM 0 HG2 LYS A 53 12.371 -10.266 -6.319 1.00 0.00 H new ATOM 0 HG3 LYS A 53 13.907 -10.052 -7.134 1.00 0.00 H new ATOM 0 HD2 LYS A 53 15.085 -10.211 -4.941 1.00 0.00 H new ATOM 0 HD3 LYS A 53 13.546 -10.440 -4.135 1.00 0.00 H new ATOM 0 HE2 LYS A 53 13.150 -12.480 -5.556 1.00 0.00 H new ATOM 0 HE3 LYS A 53 14.744 -12.269 -6.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 14.439 -13.846 -4.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 15.785 -12.811 -4.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 14.437 -12.433 -3.323 1.00 0.00 H new ATOM 908 N ARG A 54 12.731 -5.920 -3.431 1.00 0.00 N ATOM 909 CA ARG A 54 12.788 -4.469 -3.197 1.00 0.00 C ATOM 910 C ARG A 54 11.402 -3.829 -3.092 1.00 0.00 C ATOM 911 O ARG A 54 11.267 -2.719 -2.580 1.00 0.00 O ATOM 912 CB ARG A 54 13.598 -3.752 -4.286 1.00 0.00 C ATOM 913 CG ARG A 54 15.080 -4.080 -4.279 1.00 0.00 C ATOM 914 CD ARG A 54 15.832 -3.278 -5.331 1.00 0.00 C ATOM 915 NE ARG A 54 15.409 -3.609 -6.692 1.00 0.00 N ATOM 916 CZ ARG A 54 15.661 -2.847 -7.758 1.00 0.00 C ATOM 917 NH1 ARG A 54 16.388 -1.744 -7.634 1.00 0.00 N ATOM 918 NH2 ARG A 54 15.205 -3.204 -8.954 1.00 0.00 N ATOM 0 H ARG A 54 12.967 -6.476 -2.609 1.00 0.00 H new ATOM 0 HA ARG A 54 13.289 -4.348 -2.236 1.00 0.00 H new ATOM 0 HB2 ARG A 54 13.185 -4.012 -5.261 1.00 0.00 H new ATOM 0 HB3 ARG A 54 13.475 -2.676 -4.165 1.00 0.00 H new ATOM 0 HG2 ARG A 54 15.496 -3.870 -3.294 1.00 0.00 H new ATOM 0 HG3 ARG A 54 15.219 -5.145 -4.463 1.00 0.00 H new ATOM 0 HD2 ARG A 54 15.676 -2.214 -5.153 1.00 0.00 H new ATOM 0 HD3 ARG A 54 16.901 -3.464 -5.230 1.00 0.00 H new ATOM 0 HE ARG A 54 14.890 -4.475 -6.835 1.00 0.00 H new ATOM 0 HH11 ARG A 54 16.756 -1.476 -6.721 1.00 0.00 H new ATOM 0 HH12 ARG A 54 16.578 -1.164 -8.451 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.662 -4.061 -9.058 1.00 0.00 H new ATOM 0 HH22 ARG A 54 15.398 -2.621 -9.768 1.00 0.00 H new ATOM 932 N PHE A 55 10.370 -4.512 -3.563 1.00 0.00 N ATOM 933 CA PHE A 55 9.038 -3.920 -3.588 1.00 0.00 C ATOM 934 C PHE A 55 8.052 -4.719 -2.741 1.00 0.00 C ATOM 935 O PHE A 55 7.983 -5.943 -2.847 1.00 0.00 O ATOM 936 CB PHE A 55 8.518 -3.836 -5.029 1.00 0.00 C ATOM 937 CG PHE A 55 9.566 -3.445 -6.035 1.00 0.00 C ATOM 938 CD1 PHE A 55 9.838 -4.268 -7.115 1.00 0.00 C ATOM 939 CD2 PHE A 55 10.285 -2.270 -5.896 1.00 0.00 C ATOM 940 CE1 PHE A 55 10.809 -3.927 -8.037 1.00 0.00 C ATOM 941 CE2 PHE A 55 11.258 -1.923 -6.815 1.00 0.00 C ATOM 942 CZ PHE A 55 11.519 -2.753 -7.885 1.00 0.00 C ATOM 0 H PHE A 55 10.425 -5.463 -3.928 1.00 0.00 H new ATOM 0 HA PHE A 55 9.120 -2.918 -3.168 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.101 -4.803 -5.311 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.703 -3.113 -5.069 1.00 0.00 H new ATOM 0 HD1 PHE A 55 9.285 -5.187 -7.238 1.00 0.00 H new ATOM 0 HD2 PHE A 55 10.083 -1.617 -5.060 1.00 0.00 H new ATOM 0 HE1 PHE A 55 11.012 -4.578 -8.875 1.00 0.00 H new ATOM 0 HE2 PHE A 55 11.812 -1.004 -6.695 1.00 0.00 H new ATOM 0 HZ PHE A 55 12.279 -2.484 -8.604 1.00 0.00 H new ATOM 952 N TYR A 56 7.325 -4.027 -1.875 1.00 0.00 N ATOM 953 CA TYR A 56 6.176 -4.617 -1.203 1.00 0.00 C ATOM 954 C TYR A 56 4.999 -4.617 -2.161 1.00 0.00 C ATOM 955 O TYR A 56 4.959 -3.811 -3.089 1.00 0.00 O ATOM 956 CB TYR A 56 5.790 -3.839 0.063 1.00 0.00 C ATOM 957 CG TYR A 56 6.530 -4.252 1.314 1.00 0.00 C ATOM 958 CD1 TYR A 56 7.429 -3.394 1.933 1.00 0.00 C ATOM 959 CD2 TYR A 56 6.319 -5.500 1.883 1.00 0.00 C ATOM 960 CE1 TYR A 56 8.101 -3.772 3.081 1.00 0.00 C ATOM 961 CE2 TYR A 56 6.985 -5.885 3.030 1.00 0.00 C ATOM 962 CZ TYR A 56 7.875 -5.020 3.626 1.00 0.00 C ATOM 963 OH TYR A 56 8.545 -5.404 4.765 1.00 0.00 O ATOM 0 H TYR A 56 7.510 -3.057 -1.621 1.00 0.00 H new ATOM 0 HA TYR A 56 6.441 -5.631 -0.905 1.00 0.00 H new ATOM 0 HB2 TYR A 56 5.967 -2.778 -0.112 1.00 0.00 H new ATOM 0 HB3 TYR A 56 4.720 -3.960 0.234 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.606 -2.416 1.511 1.00 0.00 H new ATOM 0 HD2 TYR A 56 5.621 -6.183 1.421 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.799 -3.094 3.549 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.808 -6.861 3.458 1.00 0.00 H new ATOM 0 HH TYR A 56 7.959 -5.292 5.543 1.00 0.00 H new ATOM 973 N TYR A 57 4.059 -5.514 -1.944 1.00 0.00 N ATOM 974 CA TYR A 57 2.860 -5.574 -2.763 1.00 0.00 C ATOM 975 C TYR A 57 1.641 -5.850 -1.898 1.00 0.00 C ATOM 976 O TYR A 57 1.311 -7.003 -1.615 1.00 0.00 O ATOM 977 CB TYR A 57 2.991 -6.643 -3.853 1.00 0.00 C ATOM 978 CG TYR A 57 3.934 -6.261 -4.969 1.00 0.00 C ATOM 979 CD1 TYR A 57 3.578 -5.285 -5.891 1.00 0.00 C ATOM 980 CD2 TYR A 57 5.175 -6.870 -5.104 1.00 0.00 C ATOM 981 CE1 TYR A 57 4.429 -4.925 -6.913 1.00 0.00 C ATOM 982 CE2 TYR A 57 6.034 -6.514 -6.127 1.00 0.00 C ATOM 983 CZ TYR A 57 5.655 -5.541 -7.028 1.00 0.00 C ATOM 984 OH TYR A 57 6.503 -5.184 -8.052 1.00 0.00 O ATOM 0 H TYR A 57 4.100 -6.215 -1.205 1.00 0.00 H new ATOM 0 HA TYR A 57 2.735 -4.607 -3.249 1.00 0.00 H new ATOM 0 HB2 TYR A 57 3.337 -7.572 -3.399 1.00 0.00 H new ATOM 0 HB3 TYR A 57 2.006 -6.842 -4.274 1.00 0.00 H new ATOM 0 HD1 TYR A 57 2.617 -4.800 -5.805 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.473 -7.633 -4.400 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.136 -4.163 -7.620 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.996 -6.995 -6.220 1.00 0.00 H new ATOM 0 HH TYR A 57 7.372 -4.923 -7.681 1.00 0.00 H new ATOM 994 N VAL A 58 0.991 -4.787 -1.451 1.00 0.00 N ATOM 995 CA VAL A 58 -0.195 -4.922 -0.618 1.00 0.00 C ATOM 996 C VAL A 58 -1.452 -4.796 -1.461 1.00 0.00 C ATOM 997 O VAL A 58 -1.883 -3.691 -1.783 1.00 0.00 O ATOM 998 CB VAL A 58 -0.253 -3.866 0.505 1.00 0.00 C ATOM 999 CG1 VAL A 58 -1.316 -4.245 1.524 1.00 0.00 C ATOM 1000 CG2 VAL A 58 1.103 -3.692 1.167 1.00 0.00 C ATOM 0 H VAL A 58 1.263 -3.824 -1.650 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.137 -5.909 -0.160 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.524 -2.907 0.063 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.349 -3.493 2.312 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.288 -4.299 1.033 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.075 -5.215 1.958 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.030 -2.941 1.954 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.422 -4.641 1.599 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.832 -3.369 0.424 1.00 0.00 H new ATOM 1010 N SER A 59 -2.018 -5.928 -1.836 1.00 0.00 N ATOM 1011 CA SER A 59 -3.249 -5.952 -2.606 1.00 0.00 C ATOM 1012 C SER A 59 -4.408 -5.528 -1.718 1.00 0.00 C ATOM 1013 O SER A 59 -4.693 -6.189 -0.725 1.00 0.00 O ATOM 1014 CB SER A 59 -3.494 -7.363 -3.144 1.00 0.00 C ATOM 1015 OG SER A 59 -4.506 -7.389 -4.136 1.00 0.00 O ATOM 0 H SER A 59 -1.641 -6.851 -1.618 1.00 0.00 H new ATOM 0 HA SER A 59 -3.167 -5.262 -3.446 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.568 -7.757 -3.562 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.777 -8.020 -2.321 1.00 0.00 H new ATOM 0 HG SER A 59 -4.629 -8.308 -4.454 1.00 0.00 H new ATOM 1021 N VAL A 60 -5.050 -4.420 -2.050 1.00 0.00 N ATOM 1022 CA VAL A 60 -6.189 -3.940 -1.283 1.00 0.00 C ATOM 1023 C VAL A 60 -7.349 -3.596 -2.199 1.00 0.00 C ATOM 1024 O VAL A 60 -7.165 -3.369 -3.397 1.00 0.00 O ATOM 1025 CB VAL A 60 -5.845 -2.686 -0.439 1.00 0.00 C ATOM 1026 CG1 VAL A 60 -4.569 -2.905 0.349 1.00 0.00 C ATOM 1027 CG2 VAL A 60 -5.741 -1.447 -1.316 1.00 0.00 C ATOM 0 H VAL A 60 -4.801 -3.834 -2.847 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.465 -4.751 -0.609 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.657 -2.522 0.270 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.345 -2.013 0.934 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.696 -3.756 1.018 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.747 -3.104 -0.338 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.499 -0.583 -0.698 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.957 -1.592 -2.059 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.692 -1.277 -1.820 1.00 0.00 H new ATOM 1037 N ASP A 61 -8.538 -3.569 -1.627 1.00 0.00 N ATOM 1038 CA ASP A 61 -9.717 -3.099 -2.327 1.00 0.00 C ATOM 1039 C ASP A 61 -10.100 -1.741 -1.765 1.00 0.00 C ATOM 1040 O ASP A 61 -10.139 -1.554 -0.545 1.00 0.00 O ATOM 1041 CB ASP A 61 -10.881 -4.079 -2.163 1.00 0.00 C ATOM 1042 CG ASP A 61 -12.005 -3.812 -3.147 1.00 0.00 C ATOM 1043 OD1 ASP A 61 -12.054 -4.491 -4.196 1.00 0.00 O ATOM 1044 OD2 ASP A 61 -12.847 -2.931 -2.872 1.00 0.00 O ATOM 0 H ASP A 61 -8.713 -3.871 -0.669 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.496 -3.021 -3.391 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.517 -5.097 -2.299 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.268 -4.012 -1.146 1.00 0.00 H new ATOM 1049 N ALA A 62 -10.365 -0.794 -2.646 1.00 0.00 N ATOM 1050 CA ALA A 62 -10.659 0.570 -2.234 1.00 0.00 C ATOM 1051 C ALA A 62 -12.134 0.739 -1.877 1.00 0.00 C ATOM 1052 O ALA A 62 -12.612 1.857 -1.683 1.00 0.00 O ATOM 1053 CB ALA A 62 -10.248 1.543 -3.329 1.00 0.00 C ATOM 0 H ALA A 62 -10.383 -0.943 -3.655 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.082 0.789 -1.335 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.471 2.562 -3.013 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -9.179 1.448 -3.518 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.799 1.317 -4.242 1.00 0.00 H new ATOM 1059 N GLY A 63 -12.854 -0.374 -1.809 1.00 0.00 N ATOM 1060 CA GLY A 63 -14.234 -0.346 -1.372 1.00 0.00 C ATOM 1061 C GLY A 63 -15.207 -0.395 -2.526 1.00 0.00 C ATOM 1062 O GLY A 63 -16.272 -1.004 -2.429 1.00 0.00 O ATOM 0 H GLY A 63 -12.503 -1.301 -2.051 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -14.419 -1.191 -0.709 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -14.410 0.559 -0.791 1.00 0.00 H new ATOM 1066 N ASP A 64 -14.832 0.236 -3.627 1.00 0.00 N ATOM 1067 CA ASP A 64 -15.693 0.313 -4.803 1.00 0.00 C ATOM 1068 C ASP A 64 -15.375 -0.820 -5.781 1.00 0.00 C ATOM 1069 O ASP A 64 -15.977 -0.931 -6.849 1.00 0.00 O ATOM 1070 CB ASP A 64 -15.520 1.677 -5.485 1.00 0.00 C ATOM 1071 CG ASP A 64 -16.454 1.876 -6.664 1.00 0.00 C ATOM 1072 OD1 ASP A 64 -15.962 2.005 -7.806 1.00 0.00 O ATOM 1073 OD2 ASP A 64 -17.687 1.895 -6.460 1.00 0.00 O ATOM 0 H ASP A 64 -13.933 0.706 -3.734 1.00 0.00 H new ATOM 0 HA ASP A 64 -16.730 0.204 -4.487 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -15.694 2.467 -4.754 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -14.489 1.779 -5.825 1.00 0.00 H new ATOM 1078 N GLY A 65 -14.438 -1.674 -5.405 1.00 0.00 N ATOM 1079 CA GLY A 65 -14.015 -2.744 -6.287 1.00 0.00 C ATOM 1080 C GLY A 65 -12.670 -2.449 -6.909 1.00 0.00 C ATOM 1081 O GLY A 65 -11.973 -3.355 -7.367 1.00 0.00 O ATOM 0 H GLY A 65 -13.961 -1.647 -4.504 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.962 -3.678 -5.728 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -14.757 -2.885 -7.073 1.00 0.00 H new ATOM 1085 N GLU A 66 -12.311 -1.172 -6.925 1.00 0.00 N ATOM 1086 CA GLU A 66 -11.017 -0.743 -7.399 1.00 0.00 C ATOM 1087 C GLU A 66 -9.938 -1.306 -6.491 1.00 0.00 C ATOM 1088 O GLU A 66 -10.098 -1.334 -5.272 1.00 0.00 O ATOM 1089 CB GLU A 66 -10.978 0.781 -7.434 1.00 0.00 C ATOM 1090 CG GLU A 66 -9.609 1.364 -7.682 1.00 0.00 C ATOM 1091 CD GLU A 66 -9.656 2.860 -7.908 1.00 0.00 C ATOM 1092 OE1 GLU A 66 -9.915 3.604 -6.940 1.00 0.00 O ATOM 1093 OE2 GLU A 66 -9.455 3.298 -9.058 1.00 0.00 O ATOM 0 H GLU A 66 -12.913 -0.412 -6.609 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.838 -1.113 -8.408 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -11.655 1.132 -8.213 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.356 1.164 -6.486 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.964 1.147 -6.830 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.162 0.881 -8.551 1.00 0.00 H new ATOM 1100 N LYS A 67 -8.851 -1.758 -7.080 1.00 0.00 N ATOM 1101 CA LYS A 67 -7.848 -2.490 -6.334 1.00 0.00 C ATOM 1102 C LYS A 67 -6.458 -1.914 -6.530 1.00 0.00 C ATOM 1103 O LYS A 67 -6.104 -1.433 -7.611 1.00 0.00 O ATOM 1104 CB LYS A 67 -7.879 -3.969 -6.714 1.00 0.00 C ATOM 1105 CG LYS A 67 -9.114 -4.689 -6.197 1.00 0.00 C ATOM 1106 CD LYS A 67 -9.209 -6.107 -6.727 1.00 0.00 C ATOM 1107 CE LYS A 67 -10.416 -6.833 -6.153 1.00 0.00 C ATOM 1108 NZ LYS A 67 -11.678 -6.073 -6.357 1.00 0.00 N ATOM 0 H LYS A 67 -8.639 -1.632 -8.070 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.089 -2.391 -5.276 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -7.839 -4.061 -7.799 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.988 -4.458 -6.320 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.092 -4.710 -5.107 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.006 -4.133 -6.487 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.278 -6.087 -7.815 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.300 -6.653 -6.475 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.505 -7.813 -6.621 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.264 -7.001 -5.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.413 -6.712 -6.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.990 -5.669 -5.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.515 -5.306 -7.040 1.00 0.00 H new ATOM 1122 N CYS A 68 -5.689 -1.970 -5.463 1.00 0.00 N ATOM 1123 CA CYS A 68 -4.330 -1.472 -5.442 1.00 0.00 C ATOM 1124 C CYS A 68 -3.410 -2.550 -4.912 1.00 0.00 C ATOM 1125 O CYS A 68 -3.618 -3.054 -3.819 1.00 0.00 O ATOM 1126 CB CYS A 68 -4.230 -0.270 -4.514 1.00 0.00 C ATOM 1127 SG CYS A 68 -5.449 1.034 -4.836 1.00 0.00 S ATOM 0 H CYS A 68 -5.994 -2.368 -4.575 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.046 -1.186 -6.455 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.345 -0.611 -3.485 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.230 0.156 -4.599 1.00 0.00 H new ATOM 1132 N LYS A 69 -2.406 -2.905 -5.674 1.00 0.00 N ATOM 1133 CA LYS A 69 -1.386 -3.818 -5.193 1.00 0.00 C ATOM 1134 C LYS A 69 -0.209 -2.986 -4.706 1.00 0.00 C ATOM 1135 O LYS A 69 0.846 -2.981 -5.331 1.00 0.00 O ATOM 1136 CB LYS A 69 -0.949 -4.781 -6.303 1.00 0.00 C ATOM 1137 CG LYS A 69 0.081 -5.806 -5.858 1.00 0.00 C ATOM 1138 CD LYS A 69 -0.553 -7.016 -5.194 1.00 0.00 C ATOM 1139 CE LYS A 69 -1.362 -7.833 -6.189 1.00 0.00 C ATOM 1140 NZ LYS A 69 -1.831 -9.118 -5.609 1.00 0.00 N ATOM 0 H LYS A 69 -2.268 -2.579 -6.631 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.780 -4.425 -4.378 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.827 -5.304 -6.683 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.538 -4.203 -7.131 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.661 -6.132 -6.721 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.778 -5.338 -5.163 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.224 -7.641 -4.754 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.199 -6.689 -4.379 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.222 -7.251 -6.521 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.754 -8.035 -7.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.763 -9.868 -6.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.238 -9.367 -4.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.820 -9.020 -5.303 1.00 0.00 H new ATOM 1154 N PHE A 70 -0.432 -2.264 -3.601 1.00 0.00 N ATOM 1155 CA PHE A 70 0.498 -1.242 -3.103 1.00 0.00 C ATOM 1156 C PHE A 70 1.944 -1.647 -3.278 1.00 0.00 C ATOM 1157 O PHE A 70 2.455 -2.492 -2.545 1.00 0.00 O ATOM 1158 CB PHE A 70 0.239 -0.940 -1.629 1.00 0.00 C ATOM 1159 CG PHE A 70 -0.802 0.111 -1.401 1.00 0.00 C ATOM 1160 CD1 PHE A 70 -0.432 1.431 -1.219 1.00 0.00 C ATOM 1161 CD2 PHE A 70 -2.145 -0.216 -1.367 1.00 0.00 C ATOM 1162 CE1 PHE A 70 -1.382 2.407 -1.007 1.00 0.00 C ATOM 1163 CE2 PHE A 70 -3.101 0.757 -1.155 1.00 0.00 C ATOM 1164 CZ PHE A 70 -2.718 2.070 -0.975 1.00 0.00 C ATOM 0 H PHE A 70 -1.266 -2.373 -3.024 1.00 0.00 H new ATOM 0 HA PHE A 70 0.319 -0.347 -3.699 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.069 -1.858 -1.129 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.172 -0.621 -1.164 1.00 0.00 H new ATOM 0 HD1 PHE A 70 0.614 1.700 -1.243 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.449 -1.243 -1.508 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.080 3.434 -0.866 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.147 0.491 -1.130 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.464 2.833 -0.809 1.00 0.00 H new ATOM 1174 N LYS A 71 2.592 -1.029 -4.250 1.00 0.00 N ATOM 1175 CA LYS A 71 3.957 -1.354 -4.562 1.00 0.00 C ATOM 1176 C LYS A 71 4.879 -0.466 -3.758 1.00 0.00 C ATOM 1177 O LYS A 71 5.325 0.597 -4.200 1.00 0.00 O ATOM 1178 CB LYS A 71 4.205 -1.237 -6.065 1.00 0.00 C ATOM 1179 CG LYS A 71 5.651 -1.450 -6.475 1.00 0.00 C ATOM 1180 CD LYS A 71 5.717 -1.838 -7.938 1.00 0.00 C ATOM 1181 CE LYS A 71 7.140 -1.964 -8.443 1.00 0.00 C ATOM 1182 NZ LYS A 71 7.174 -2.421 -9.857 1.00 0.00 N ATOM 0 H LYS A 71 2.186 -0.298 -4.834 1.00 0.00 H new ATOM 0 HA LYS A 71 4.163 -2.389 -4.289 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.581 -1.966 -6.583 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.886 -0.250 -6.399 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.225 -0.539 -6.304 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.102 -2.230 -5.862 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.199 -2.786 -8.083 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.189 -1.092 -8.532 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.645 -1.002 -8.358 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.689 -2.668 -7.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.081 -2.150 -10.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.070 -3.455 -9.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.395 -1.978 -10.384 1.00 0.00 H new ATOM 1196 N ILE A 72 5.112 -0.897 -2.541 1.00 0.00 N ATOM 1197 CA ILE A 72 5.928 -0.152 -1.622 1.00 0.00 C ATOM 1198 C ILE A 72 7.391 -0.467 -1.858 1.00 0.00 C ATOM 1199 O ILE A 72 7.912 -1.459 -1.348 1.00 0.00 O ATOM 1200 CB ILE A 72 5.548 -0.461 -0.160 1.00 0.00 C ATOM 1201 CG1 ILE A 72 4.069 -0.141 0.078 1.00 0.00 C ATOM 1202 CG2 ILE A 72 6.427 0.335 0.794 1.00 0.00 C ATOM 1203 CD1 ILE A 72 3.521 -0.704 1.379 1.00 0.00 C ATOM 0 H ILE A 72 4.742 -1.770 -2.165 1.00 0.00 H new ATOM 0 HA ILE A 72 5.755 0.910 -1.797 1.00 0.00 H new ATOM 0 HB ILE A 72 5.709 -1.522 0.029 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.936 0.941 0.077 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.483 -0.535 -0.753 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.147 0.107 1.823 1.00 0.00 H new ATOM 0 HG22 ILE A 72 7.472 0.068 0.634 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.292 1.401 0.609 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.469 -0.436 1.477 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.620 -1.789 1.376 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.080 -0.291 2.218 1.00 0.00 H new ATOM 1215 N ARG A 73 8.022 0.334 -2.705 1.00 0.00 N ATOM 1216 CA ARG A 73 9.466 0.290 -2.864 1.00 0.00 C ATOM 1217 C ARG A 73 10.074 0.558 -1.500 1.00 0.00 C ATOM 1218 O ARG A 73 10.169 1.706 -1.081 1.00 0.00 O ATOM 1219 CB ARG A 73 9.918 1.340 -3.886 1.00 0.00 C ATOM 1220 CG ARG A 73 11.198 0.996 -4.630 1.00 0.00 C ATOM 1221 CD ARG A 73 11.363 1.864 -5.872 1.00 0.00 C ATOM 1222 NE ARG A 73 12.487 1.437 -6.707 1.00 0.00 N ATOM 1223 CZ ARG A 73 12.426 1.311 -8.038 1.00 0.00 C ATOM 1224 NH1 ARG A 73 11.299 1.580 -8.686 1.00 0.00 N ATOM 1225 NH2 ARG A 73 13.500 0.925 -8.716 1.00 0.00 N ATOM 0 H ARG A 73 7.554 1.023 -3.293 1.00 0.00 H new ATOM 0 HA ARG A 73 9.791 -0.682 -3.237 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.120 1.486 -4.614 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.058 2.291 -3.371 1.00 0.00 H new ATOM 0 HG2 ARG A 73 12.054 1.135 -3.970 1.00 0.00 H new ATOM 0 HG3 ARG A 73 11.184 -0.055 -4.917 1.00 0.00 H new ATOM 0 HD2 ARG A 73 10.445 1.831 -6.459 1.00 0.00 H new ATOM 0 HD3 ARG A 73 11.512 2.901 -5.570 1.00 0.00 H new ATOM 0 HE ARG A 73 13.371 1.222 -6.246 1.00 0.00 H new ATOM 0 HH11 ARG A 73 10.474 1.884 -8.169 1.00 0.00 H new ATOM 0 HH12 ARG A 73 11.258 1.482 -9.700 1.00 0.00 H new ATOM 0 HH21 ARG A 73 14.370 0.725 -8.223 1.00 0.00 H new ATOM 0 HH22 ARG A 73 13.455 0.828 -9.730 1.00 0.00 H new ATOM 1239 N LYS A 74 10.408 -0.524 -0.804 1.00 0.00 N ATOM 1240 CA LYS A 74 10.755 -0.488 0.624 1.00 0.00 C ATOM 1241 C LYS A 74 11.957 0.415 0.901 1.00 0.00 C ATOM 1242 O LYS A 74 13.081 -0.057 0.989 1.00 0.00 O ATOM 1243 CB LYS A 74 11.044 -1.907 1.131 1.00 0.00 C ATOM 1244 CG LYS A 74 10.326 -2.998 0.348 1.00 0.00 C ATOM 1245 CD LYS A 74 10.843 -4.394 0.679 1.00 0.00 C ATOM 1246 CE LYS A 74 10.092 -5.447 -0.122 1.00 0.00 C ATOM 1247 NZ LYS A 74 10.666 -6.810 0.027 1.00 0.00 N ATOM 0 H LYS A 74 10.448 -1.458 -1.211 1.00 0.00 H new ATOM 0 HA LYS A 74 9.899 -0.073 1.157 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.118 -2.087 1.086 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.754 -1.974 2.179 1.00 0.00 H new ATOM 0 HG2 LYS A 74 9.258 -2.950 0.561 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.447 -2.813 -0.719 1.00 0.00 H new ATOM 0 HD2 LYS A 74 11.909 -4.454 0.460 1.00 0.00 H new ATOM 0 HD3 LYS A 74 10.725 -4.588 1.745 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.049 -5.461 0.195 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.101 -5.168 -1.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.276 -7.433 -0.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 11.700 -6.764 -0.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 10.424 -7.188 0.965 1.00 0.00 H new ATOM 1261 N ASP A 75 11.691 1.716 1.011 1.00 0.00 N ATOM 1262 CA ASP A 75 12.722 2.749 1.186 1.00 0.00 C ATOM 1263 C ASP A 75 13.857 2.577 0.173 1.00 0.00 C ATOM 1264 O ASP A 75 14.984 3.023 0.388 1.00 0.00 O ATOM 1265 CB ASP A 75 13.267 2.764 2.617 1.00 0.00 C ATOM 1266 CG ASP A 75 13.461 4.189 3.120 1.00 0.00 C ATOM 1267 OD1 ASP A 75 14.620 4.634 3.268 1.00 0.00 O ATOM 1268 OD2 ASP A 75 12.445 4.879 3.361 1.00 0.00 O ATOM 0 H ASP A 75 10.743 2.091 0.981 1.00 0.00 H new ATOM 0 HA ASP A 75 12.248 3.713 1.002 1.00 0.00 H new ATOM 0 HB2 ASP A 75 12.579 2.234 3.276 1.00 0.00 H new ATOM 0 HB3 ASP A 75 14.217 2.231 2.652 1.00 0.00 H new ATOM 1273 N VAL A 76 13.544 1.945 -0.952 1.00 0.00 N ATOM 1274 CA VAL A 76 14.530 1.711 -1.993 1.00 0.00 C ATOM 1275 C VAL A 76 14.707 2.968 -2.820 1.00 0.00 C ATOM 1276 O VAL A 76 13.751 3.428 -3.453 1.00 0.00 O ATOM 1277 CB VAL A 76 14.124 0.564 -2.938 1.00 0.00 C ATOM 1278 CG1 VAL A 76 15.243 0.257 -3.920 1.00 0.00 C ATOM 1279 CG2 VAL A 76 13.740 -0.678 -2.159 1.00 0.00 C ATOM 0 H VAL A 76 12.613 1.586 -1.164 1.00 0.00 H new ATOM 0 HA VAL A 76 15.459 1.434 -1.495 1.00 0.00 H new ATOM 0 HB VAL A 76 13.250 0.889 -3.502 1.00 0.00 H new ATOM 0 HG11 VAL A 76 14.936 -0.556 -4.578 1.00 0.00 H new ATOM 0 HG12 VAL A 76 15.459 1.144 -4.515 1.00 0.00 H new ATOM 0 HG13 VAL A 76 16.138 -0.038 -3.372 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.458 -1.470 -2.853 1.00 0.00 H new ATOM 0 HG22 VAL A 76 14.588 -1.007 -1.558 1.00 0.00 H new ATOM 0 HG23 VAL A 76 12.898 -0.452 -1.505 1.00 0.00 H new ATOM 1289 N ASP A 77 15.929 3.498 -2.824 1.00 0.00 N ATOM 1290 CA ASP A 77 16.243 4.754 -3.522 1.00 0.00 C ATOM 1291 C ASP A 77 15.563 5.946 -2.851 1.00 0.00 C ATOM 1292 O ASP A 77 16.218 6.787 -2.237 1.00 0.00 O ATOM 1293 CB ASP A 77 15.817 4.688 -4.989 1.00 0.00 C ATOM 1294 CG ASP A 77 16.260 5.905 -5.775 1.00 0.00 C ATOM 1295 OD1 ASP A 77 15.392 6.682 -6.213 1.00 0.00 O ATOM 1296 OD2 ASP A 77 17.484 6.084 -5.967 1.00 0.00 O ATOM 0 H ASP A 77 16.727 3.077 -2.349 1.00 0.00 H new ATOM 0 HA ASP A 77 17.323 4.889 -3.469 1.00 0.00 H new ATOM 0 HB2 ASP A 77 16.236 3.792 -5.446 1.00 0.00 H new ATOM 0 HB3 ASP A 77 14.732 4.597 -5.046 1.00 0.00 H new ATOM 1301 N VAL A 78 14.248 6.012 -2.979 1.00 0.00 N ATOM 1302 CA VAL A 78 13.463 7.052 -2.338 1.00 0.00 C ATOM 1303 C VAL A 78 13.020 6.567 -0.964 1.00 0.00 C ATOM 1304 O VAL A 78 13.275 5.420 -0.603 1.00 0.00 O ATOM 1305 CB VAL A 78 12.205 7.418 -3.167 1.00 0.00 C ATOM 1306 CG1 VAL A 78 12.553 7.631 -4.629 1.00 0.00 C ATOM 1307 CG2 VAL A 78 11.125 6.358 -3.010 1.00 0.00 C ATOM 0 H VAL A 78 13.698 5.350 -3.527 1.00 0.00 H new ATOM 0 HA VAL A 78 14.088 7.941 -2.256 1.00 0.00 H new ATOM 0 HB VAL A 78 11.812 8.359 -2.781 1.00 0.00 H new ATOM 0 HG11 VAL A 78 11.651 7.886 -5.184 1.00 0.00 H new ATOM 0 HG12 VAL A 78 13.275 8.443 -4.717 1.00 0.00 H new ATOM 0 HG13 VAL A 78 12.984 6.717 -5.037 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.253 6.637 -3.601 1.00 0.00 H new ATOM 0 HG22 VAL A 78 11.505 5.397 -3.356 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.842 6.279 -1.960 1.00 0.00 H new ATOM 1317 N PRO A 79 12.362 7.418 -0.176 1.00 0.00 N ATOM 1318 CA PRO A 79 11.740 6.992 1.054 1.00 0.00 C ATOM 1319 C PRO A 79 10.365 6.390 0.801 1.00 0.00 C ATOM 1320 O PRO A 79 9.909 6.324 -0.336 1.00 0.00 O ATOM 1321 CB PRO A 79 11.598 8.281 1.866 1.00 0.00 C ATOM 1322 CG PRO A 79 11.910 9.419 0.950 1.00 0.00 C ATOM 1323 CD PRO A 79 12.184 8.854 -0.410 1.00 0.00 C ATOM 0 HA PRO A 79 12.325 6.224 1.559 1.00 0.00 H new ATOM 0 HB2 PRO A 79 10.588 8.375 2.265 1.00 0.00 H new ATOM 0 HB3 PRO A 79 12.278 8.276 2.718 1.00 0.00 H new ATOM 0 HG2 PRO A 79 11.074 10.118 0.911 1.00 0.00 H new ATOM 0 HG3 PRO A 79 12.774 9.975 1.313 1.00 0.00 H new ATOM 0 HD2 PRO A 79 11.358 9.046 -1.094 1.00 0.00 H new ATOM 0 HD3 PRO A 79 13.075 9.298 -0.853 1.00 0.00 H new ATOM 1331 N LYS A 80 9.731 5.943 1.873 1.00 0.00 N ATOM 1332 CA LYS A 80 8.319 5.532 1.886 1.00 0.00 C ATOM 1333 C LYS A 80 7.980 4.409 0.892 1.00 0.00 C ATOM 1334 O LYS A 80 7.987 3.236 1.259 1.00 0.00 O ATOM 1335 CB LYS A 80 7.379 6.758 1.740 1.00 0.00 C ATOM 1336 CG LYS A 80 7.433 7.509 0.414 1.00 0.00 C ATOM 1337 CD LYS A 80 7.066 8.968 0.587 1.00 0.00 C ATOM 1338 CE LYS A 80 7.297 9.754 -0.690 1.00 0.00 C ATOM 1339 NZ LYS A 80 7.106 11.215 -0.485 1.00 0.00 N ATOM 0 H LYS A 80 10.185 5.850 2.782 1.00 0.00 H new ATOM 0 HA LYS A 80 8.144 5.088 2.866 1.00 0.00 H new ATOM 0 HB2 LYS A 80 6.354 6.422 1.899 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.611 7.462 2.539 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.435 7.432 -0.008 1.00 0.00 H new ATOM 0 HG3 LYS A 80 6.751 7.043 -0.297 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.020 9.049 0.881 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.658 9.400 1.394 1.00 0.00 H new ATOM 0 HE2 LYS A 80 8.308 9.568 -1.053 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.611 9.403 -1.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.738 11.643 -1.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.429 11.371 0.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 8.017 11.654 -0.242 1.00 0.00 H new ATOM 1353 N MET A 81 7.710 4.754 -0.352 1.00 0.00 N ATOM 1354 CA MET A 81 7.197 3.810 -1.320 1.00 0.00 C ATOM 1355 C MET A 81 7.254 4.427 -2.703 1.00 0.00 C ATOM 1356 O MET A 81 7.163 5.647 -2.855 1.00 0.00 O ATOM 1357 CB MET A 81 5.753 3.407 -0.998 1.00 0.00 C ATOM 1358 CG MET A 81 4.775 4.560 -0.992 1.00 0.00 C ATOM 1359 SD MET A 81 3.068 3.997 -1.073 1.00 0.00 S ATOM 1360 CE MET A 81 2.309 5.429 -1.820 1.00 0.00 C ATOM 0 H MET A 81 7.841 5.697 -0.718 1.00 0.00 H new ATOM 0 HA MET A 81 7.815 2.913 -1.283 1.00 0.00 H new ATOM 0 HB2 MET A 81 5.422 2.668 -1.728 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.732 2.922 -0.022 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.919 5.153 -0.088 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.981 5.215 -1.839 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.310 5.170 -2.171 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.239 6.229 -1.083 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.914 5.764 -2.663 1.00 0.00 H new ATOM 1370 N VAL A 82 7.419 3.585 -3.699 1.00 0.00 N ATOM 1371 CA VAL A 82 7.490 4.058 -5.079 1.00 0.00 C ATOM 1372 C VAL A 82 6.113 4.435 -5.635 1.00 0.00 C ATOM 1373 O VAL A 82 5.962 5.502 -6.231 1.00 0.00 O ATOM 1374 CB VAL A 82 8.180 3.041 -6.028 1.00 0.00 C ATOM 1375 CG1 VAL A 82 7.382 1.751 -6.178 1.00 0.00 C ATOM 1376 CG2 VAL A 82 8.440 3.674 -7.387 1.00 0.00 C ATOM 0 H VAL A 82 7.507 2.575 -3.589 1.00 0.00 H new ATOM 0 HA VAL A 82 8.107 4.956 -5.043 1.00 0.00 H new ATOM 0 HB VAL A 82 9.133 2.772 -5.573 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.908 1.074 -6.852 1.00 0.00 H new ATOM 0 HG12 VAL A 82 7.269 1.277 -5.203 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.397 1.978 -6.587 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.924 2.948 -8.040 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.494 3.986 -7.830 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.088 4.542 -7.266 1.00 0.00 H new ATOM 1386 N GLY A 83 5.104 3.590 -5.432 1.00 0.00 N ATOM 1387 CA GLY A 83 3.826 3.852 -6.058 1.00 0.00 C ATOM 1388 C GLY A 83 2.672 3.066 -5.475 1.00 0.00 C ATOM 1389 O GLY A 83 2.786 1.868 -5.196 1.00 0.00 O ATOM 0 H GLY A 83 5.149 2.748 -4.858 1.00 0.00 H new ATOM 0 HA2 GLY A 83 3.605 4.916 -5.973 1.00 0.00 H new ATOM 0 HA3 GLY A 83 3.903 3.626 -7.122 1.00 0.00 H new ATOM 1393 N ARG A 84 1.552 3.751 -5.294 1.00 0.00 N ATOM 1394 CA ARG A 84 0.301 3.100 -4.949 1.00 0.00 C ATOM 1395 C ARG A 84 -0.214 2.373 -6.184 1.00 0.00 C ATOM 1396 O ARG A 84 -0.726 3.002 -7.109 1.00 0.00 O ATOM 1397 CB ARG A 84 -0.720 4.136 -4.486 1.00 0.00 C ATOM 1398 CG ARG A 84 -2.061 3.552 -4.089 1.00 0.00 C ATOM 1399 CD ARG A 84 -3.109 4.639 -3.933 1.00 0.00 C ATOM 1400 NE ARG A 84 -3.410 5.290 -5.212 1.00 0.00 N ATOM 1401 CZ ARG A 84 -4.646 5.563 -5.643 1.00 0.00 C ATOM 1402 NH1 ARG A 84 -5.699 5.237 -4.905 1.00 0.00 N ATOM 1403 NH2 ARG A 84 -4.824 6.149 -6.822 1.00 0.00 N ATOM 0 H ARG A 84 1.487 4.765 -5.382 1.00 0.00 H new ATOM 0 HA ARG A 84 0.460 2.391 -4.136 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.308 4.681 -3.637 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.874 4.860 -5.286 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -2.386 2.835 -4.843 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.959 3.004 -3.152 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -4.021 4.208 -3.520 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.757 5.384 -3.219 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.627 5.551 -5.811 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -5.568 4.776 -4.005 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -6.640 5.447 -5.238 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.018 6.391 -7.398 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -5.767 6.357 -7.151 1.00 0.00 H new ATOM 1417 N LYS A 85 -0.073 1.056 -6.203 1.00 0.00 N ATOM 1418 CA LYS A 85 -0.279 0.300 -7.427 1.00 0.00 C ATOM 1419 C LYS A 85 -1.754 0.013 -7.693 1.00 0.00 C ATOM 1420 O LYS A 85 -2.187 -1.138 -7.709 1.00 0.00 O ATOM 1421 CB LYS A 85 0.538 -0.993 -7.397 1.00 0.00 C ATOM 1422 CG LYS A 85 0.563 -1.750 -8.717 1.00 0.00 C ATOM 1423 CD LYS A 85 1.465 -2.968 -8.644 1.00 0.00 C ATOM 1424 CE LYS A 85 1.493 -3.721 -9.962 1.00 0.00 C ATOM 1425 NZ LYS A 85 0.173 -4.322 -10.297 1.00 0.00 N ATOM 0 H LYS A 85 0.181 0.493 -5.391 1.00 0.00 H new ATOM 0 HA LYS A 85 0.071 0.917 -8.254 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.562 -0.755 -7.109 1.00 0.00 H new ATOM 0 HB3 LYS A 85 0.133 -1.647 -6.625 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.449 -2.061 -8.978 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.908 -1.088 -9.511 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.476 -2.658 -8.380 1.00 0.00 H new ATOM 0 HD3 LYS A 85 1.118 -3.632 -7.852 1.00 0.00 H new ATOM 0 HE2 LYS A 85 1.793 -3.042 -10.760 1.00 0.00 H new ATOM 0 HE3 LYS A 85 2.246 -4.508 -9.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 0.279 -4.962 -11.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -0.183 -4.857 -9.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -0.501 -3.567 -10.537 1.00 0.00 H new ATOM 1439 N CYS A 86 -2.525 1.066 -7.889 1.00 0.00 N ATOM 1440 CA CYS A 86 -3.881 0.917 -8.375 1.00 0.00 C ATOM 1441 C CYS A 86 -3.897 1.245 -9.839 1.00 0.00 C ATOM 1442 O CYS A 86 -3.220 2.179 -10.274 1.00 0.00 O ATOM 1443 CB CYS A 86 -4.862 1.853 -7.686 1.00 0.00 C ATOM 1444 SG CYS A 86 -4.407 2.321 -5.993 1.00 0.00 S ATOM 0 H CYS A 86 -2.236 2.029 -7.720 1.00 0.00 H new ATOM 0 HA CYS A 86 -4.188 -0.109 -8.170 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -4.960 2.759 -8.284 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -5.843 1.378 -7.665 1.00 0.00 H new ATOM 1449 N ARG A 87 -4.637 0.465 -10.588 1.00 0.00 N ATOM 1450 CA ARG A 87 -4.882 0.752 -11.980 1.00 0.00 C ATOM 1451 C ARG A 87 -5.919 -0.220 -12.502 1.00 0.00 C ATOM 1452 O ARG A 87 -5.672 -1.049 -13.375 1.00 0.00 O ATOM 1453 CB ARG A 87 -3.579 0.764 -12.793 1.00 0.00 C ATOM 1454 CG ARG A 87 -2.694 -0.458 -12.648 1.00 0.00 C ATOM 1455 CD ARG A 87 -1.224 -0.057 -12.641 1.00 0.00 C ATOM 1456 NE ARG A 87 -0.329 -1.191 -12.865 1.00 0.00 N ATOM 1457 CZ ARG A 87 1.005 -1.096 -12.887 1.00 0.00 C ATOM 1458 NH1 ARG A 87 1.597 0.080 -12.705 1.00 0.00 N ATOM 1459 NH2 ARG A 87 1.738 -2.179 -13.106 1.00 0.00 N ATOM 0 H ARG A 87 -5.086 -0.386 -10.250 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.285 1.759 -12.090 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -3.833 0.882 -13.847 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.002 1.642 -12.504 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.938 -0.983 -11.724 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -2.884 -1.151 -13.468 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.053 0.694 -13.412 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.983 0.408 -11.685 1.00 0.00 H new ATOM 0 HE ARG A 87 -0.747 -2.110 -13.013 1.00 0.00 H new ATOM 0 HH11 ARG A 87 1.034 0.916 -12.548 1.00 0.00 H new ATOM 0 HH12 ARG A 87 2.615 0.147 -12.723 1.00 0.00 H new ATOM 0 HH21 ARG A 87 1.284 -3.080 -13.257 1.00 0.00 H new ATOM 0 HH22 ARG A 87 2.756 -2.111 -13.124 1.00 0.00 H new ATOM 1473 N LYS A 88 -7.083 -0.126 -11.877 1.00 0.00 N ATOM 1474 CA LYS A 88 -8.231 -0.956 -12.195 1.00 0.00 C ATOM 1475 C LYS A 88 -9.175 -0.209 -13.127 1.00 0.00 C ATOM 1476 O LYS A 88 -10.175 -0.752 -13.602 1.00 0.00 O ATOM 1477 CB LYS A 88 -8.946 -1.346 -10.899 1.00 0.00 C ATOM 1478 CG LYS A 88 -8.402 -2.612 -10.259 1.00 0.00 C ATOM 1479 CD LYS A 88 -8.634 -3.816 -11.154 1.00 0.00 C ATOM 1480 CE LYS A 88 -8.207 -5.109 -10.487 1.00 0.00 C ATOM 1481 NZ LYS A 88 -8.466 -6.285 -11.360 1.00 0.00 N ATOM 0 H LYS A 88 -7.257 0.539 -11.124 1.00 0.00 H new ATOM 0 HA LYS A 88 -7.899 -1.861 -12.703 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -8.863 -0.525 -10.187 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -10.007 -1.481 -11.107 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -7.335 -2.497 -10.067 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -8.884 -2.773 -9.295 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -9.690 -3.875 -11.416 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -8.081 -3.688 -12.085 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -7.145 -5.061 -10.245 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -8.743 -5.228 -9.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -8.162 -7.152 -10.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -9.483 -6.344 -11.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -7.934 -6.182 -12.248 1.00 0.00 H new ATOM 1495 N ASP A 89 -8.833 1.043 -13.375 1.00 0.00 N ATOM 1496 CA ASP A 89 -9.577 1.908 -14.279 1.00 0.00 C ATOM 1497 C ASP A 89 -8.597 2.805 -15.004 1.00 0.00 C ATOM 1498 O ASP A 89 -8.613 2.926 -16.228 1.00 0.00 O ATOM 1499 CB ASP A 89 -10.584 2.758 -13.505 1.00 0.00 C ATOM 1500 CG ASP A 89 -11.202 3.845 -14.356 1.00 0.00 C ATOM 1501 OD1 ASP A 89 -10.740 5.003 -14.279 1.00 0.00 O ATOM 1502 OD2 ASP A 89 -12.161 3.554 -15.097 1.00 0.00 O ATOM 0 H ASP A 89 -8.023 1.494 -12.951 1.00 0.00 H new ATOM 0 HA ASP A 89 -10.128 1.297 -14.994 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -11.373 2.115 -13.114 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -10.088 3.211 -12.647 1.00 0.00 H new ATOM 1507 N ASP A 90 -7.736 3.424 -14.218 1.00 0.00 N ATOM 1508 CA ASP A 90 -6.602 4.164 -14.735 1.00 0.00 C ATOM 1509 C ASP A 90 -5.476 3.188 -15.032 1.00 0.00 C ATOM 1510 O ASP A 90 -5.632 1.984 -14.815 1.00 0.00 O ATOM 1511 CB ASP A 90 -6.134 5.189 -13.700 1.00 0.00 C ATOM 1512 CG ASP A 90 -5.656 4.529 -12.419 1.00 0.00 C ATOM 1513 OD1 ASP A 90 -6.453 3.795 -11.791 1.00 0.00 O ATOM 1514 OD2 ASP A 90 -4.487 4.743 -12.036 1.00 0.00 O ATOM 0 H ASP A 90 -7.804 3.427 -13.200 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.890 4.689 -15.646 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -5.327 5.787 -14.122 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.952 5.873 -13.472 1.00 0.00 H new ATOM 1519 N ASP A 91 -4.363 3.702 -15.538 1.00 0.00 N ATOM 1520 CA ASP A 91 -3.164 2.898 -15.756 1.00 0.00 C ATOM 1521 C ASP A 91 -2.048 3.750 -16.335 1.00 0.00 C ATOM 1522 O ASP A 91 -2.062 4.103 -17.517 1.00 0.00 O ATOM 1523 CB ASP A 91 -3.442 1.712 -16.681 1.00 0.00 C ATOM 1524 CG ASP A 91 -2.184 0.956 -17.056 1.00 0.00 C ATOM 1525 OD1 ASP A 91 -1.648 0.218 -16.205 1.00 0.00 O ATOM 1526 OD2 ASP A 91 -1.732 1.082 -18.213 1.00 0.00 O ATOM 0 H ASP A 91 -4.264 4.681 -15.808 1.00 0.00 H new ATOM 0 HA ASP A 91 -2.853 2.508 -14.787 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -4.138 1.031 -16.192 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -3.930 2.070 -17.588 1.00 0.00 H new ATOM 1531 N ASP A 92 -1.109 4.113 -15.484 1.00 0.00 N ATOM 1532 CA ASP A 92 0.073 4.845 -15.909 1.00 0.00 C ATOM 1533 C ASP A 92 1.311 4.208 -15.296 1.00 0.00 C ATOM 1534 O ASP A 92 1.552 4.325 -14.094 1.00 0.00 O ATOM 1535 CB ASP A 92 -0.027 6.316 -15.498 1.00 0.00 C ATOM 1536 CG ASP A 92 1.051 7.172 -16.132 1.00 0.00 C ATOM 1537 OD1 ASP A 92 0.795 7.752 -17.210 1.00 0.00 O ATOM 1538 OD2 ASP A 92 2.155 7.280 -15.560 1.00 0.00 O ATOM 0 H ASP A 92 -1.141 3.912 -14.485 1.00 0.00 H new ATOM 0 HA ASP A 92 0.146 4.801 -16.996 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -1.006 6.703 -15.781 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.045 6.392 -14.413 1.00 0.00 H new ATOM 1543 N ASP A 93 2.072 3.499 -16.116 1.00 0.00 N ATOM 1544 CA ASP A 93 3.255 2.797 -15.636 1.00 0.00 C ATOM 1545 C ASP A 93 4.379 3.779 -15.324 1.00 0.00 C ATOM 1546 O ASP A 93 5.002 4.339 -16.231 1.00 0.00 O ATOM 1547 CB ASP A 93 3.728 1.769 -16.667 1.00 0.00 C ATOM 1548 CG ASP A 93 4.826 0.871 -16.131 1.00 0.00 C ATOM 1549 OD1 ASP A 93 5.985 1.326 -16.027 1.00 0.00 O ATOM 1550 OD2 ASP A 93 4.535 -0.299 -15.810 1.00 0.00 O ATOM 0 H ASP A 93 1.893 3.394 -17.115 1.00 0.00 H new ATOM 0 HA ASP A 93 2.986 2.275 -14.718 1.00 0.00 H new ATOM 0 HB2 ASP A 93 2.882 1.156 -16.979 1.00 0.00 H new ATOM 0 HB3 ASP A 93 4.089 2.289 -17.554 1.00 0.00 H new ATOM 1555 N ASP A 94 4.617 4.001 -14.040 1.00 0.00 N ATOM 1556 CA ASP A 94 5.688 4.881 -13.596 1.00 0.00 C ATOM 1557 C ASP A 94 6.209 4.439 -12.236 1.00 0.00 C ATOM 1558 O ASP A 94 5.553 4.647 -11.213 1.00 0.00 O ATOM 1559 CB ASP A 94 5.203 6.332 -13.519 1.00 0.00 C ATOM 1560 CG ASP A 94 6.301 7.289 -13.098 1.00 0.00 C ATOM 1561 OD1 ASP A 94 6.321 7.705 -11.919 1.00 0.00 O ATOM 1562 OD2 ASP A 94 7.146 7.639 -13.949 1.00 0.00 O ATOM 0 H ASP A 94 4.079 3.581 -13.282 1.00 0.00 H new ATOM 0 HA ASP A 94 6.497 4.821 -14.324 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.815 6.634 -14.492 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.376 6.398 -12.812 1.00 0.00 H new ATOM 1567 N GLY A 95 7.373 3.806 -12.232 1.00 0.00 N ATOM 1568 CA GLY A 95 7.969 3.345 -10.994 1.00 0.00 C ATOM 1569 C GLY A 95 7.367 2.044 -10.510 1.00 0.00 C ATOM 1570 O GLY A 95 8.065 1.036 -10.366 1.00 0.00 O ATOM 0 H GLY A 95 7.919 3.602 -13.069 1.00 0.00 H new ATOM 0 HA2 GLY A 95 9.042 3.214 -11.138 1.00 0.00 H new ATOM 0 HA3 GLY A 95 7.841 4.108 -10.227 1.00 0.00 H new ATOM 1574 N TYR A 96 6.075 2.064 -10.238 1.00 0.00 N ATOM 1575 CA TYR A 96 5.381 0.876 -9.794 1.00 0.00 C ATOM 1576 C TYR A 96 4.837 0.080 -10.979 1.00 0.00 C ATOM 1577 O TYR A 96 5.179 -1.115 -11.087 1.00 0.00 O ATOM 1578 CB TYR A 96 4.274 1.219 -8.784 1.00 0.00 C ATOM 1579 CG TYR A 96 3.052 1.932 -9.329 1.00 0.00 C ATOM 1580 CD1 TYR A 96 1.876 1.234 -9.561 1.00 0.00 C ATOM 1581 CD2 TYR A 96 3.053 3.300 -9.558 1.00 0.00 C ATOM 1582 CE1 TYR A 96 0.740 1.867 -10.004 1.00 0.00 C ATOM 1583 CE2 TYR A 96 1.918 3.946 -10.014 1.00 0.00 C ATOM 1584 CZ TYR A 96 0.762 3.224 -10.234 1.00 0.00 C ATOM 1585 OH TYR A 96 -0.375 3.860 -10.676 1.00 0.00 O ATOM 1586 OXT TYR A 96 4.110 0.654 -11.815 1.00 0.00 O ATOM 0 H TYR A 96 5.487 2.893 -10.318 1.00 0.00 H new ATOM 0 HA TYR A 96 6.103 0.242 -9.279 1.00 0.00 H new ATOM 0 HB2 TYR A 96 3.945 0.293 -8.312 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.709 1.840 -8.000 1.00 0.00 H new ATOM 0 HD1 TYR A 96 1.853 0.168 -9.389 1.00 0.00 H new ATOM 0 HD2 TYR A 96 3.953 3.869 -9.378 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -0.166 1.303 -10.171 1.00 0.00 H new ATOM 0 HE2 TYR A 96 1.936 5.010 -10.197 1.00 0.00 H new ATOM 0 HH TYR A 96 -1.156 3.294 -10.501 1.00 0.00 H new TER 1596 TYR A 96