USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 577 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 Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot -130:sc= -2.21 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0.381 K(o=0.38,f=-0.46) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 156:sc= 0.492 (180deg=0.117) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.176 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -1.67 K(o=-1.7,f=-2.7!) USER MOD Single : A 62 SER OG : rot 109:sc= 0.657 USER MOD Single : A 67 GLN : amide:sc= -2.26! C(o=-2.3!,f=-3.5!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.682 X(o=-0.68,f=-0.58) USER MOD ----------------------------------------------------------------- ATOM 48 N GLU A 4 5.661 5.956 -4.788 1.00 0.00 N ATOM 49 CA GLU A 4 6.631 6.159 -5.850 1.00 0.00 C ATOM 50 C GLU A 4 6.633 4.962 -6.803 1.00 0.00 C ATOM 51 O GLU A 4 6.990 5.095 -7.973 1.00 0.00 O ATOM 52 CB GLU A 4 8.028 6.406 -5.278 1.00 0.00 C ATOM 53 CG GLU A 4 8.664 7.650 -5.902 1.00 0.00 C ATOM 54 CD GLU A 4 9.586 7.271 -7.063 1.00 0.00 C ATOM 55 OE1 GLU A 4 10.490 6.442 -6.821 1.00 0.00 O ATOM 56 OE2 GLU A 4 9.366 7.818 -8.165 1.00 0.00 O ATOM 0 HA GLU A 4 6.343 7.047 -6.413 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.966 6.529 -4.197 1.00 0.00 H new ATOM 0 HB3 GLU A 4 8.660 5.538 -5.464 1.00 0.00 H new ATOM 0 HG2 GLU A 4 7.883 8.322 -6.258 1.00 0.00 H new ATOM 0 HG3 GLU A 4 9.231 8.192 -5.145 1.00 0.00 H new ATOM 63 N GLU A 5 6.229 3.819 -6.267 1.00 0.00 N ATOM 64 CA GLU A 5 6.180 2.599 -7.055 1.00 0.00 C ATOM 65 C GLU A 5 5.093 2.704 -8.127 1.00 0.00 C ATOM 66 O GLU A 5 5.241 2.161 -9.221 1.00 0.00 O ATOM 67 CB GLU A 5 5.953 1.378 -6.162 1.00 0.00 C ATOM 68 CG GLU A 5 7.240 0.567 -6.005 1.00 0.00 C ATOM 69 CD GLU A 5 6.948 -0.935 -6.030 1.00 0.00 C ATOM 70 OE1 GLU A 5 6.557 -1.455 -4.963 1.00 0.00 O ATOM 71 OE2 GLU A 5 7.123 -1.529 -7.116 1.00 0.00 O ATOM 0 H GLU A 5 5.933 3.712 -5.297 1.00 0.00 H new ATOM 0 HA GLU A 5 7.142 2.471 -7.551 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.600 1.700 -5.182 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.173 0.749 -6.591 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.933 0.820 -6.807 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.728 0.831 -5.067 1.00 0.00 H new ATOM 78 N LEU A 6 4.025 3.405 -7.776 1.00 0.00 N ATOM 79 CA LEU A 6 2.914 3.587 -8.695 1.00 0.00 C ATOM 80 C LEU A 6 3.408 4.311 -9.949 1.00 0.00 C ATOM 81 O LEU A 6 3.084 3.915 -11.067 1.00 0.00 O ATOM 82 CB LEU A 6 1.751 4.294 -7.995 1.00 0.00 C ATOM 83 CG LEU A 6 0.808 3.397 -7.190 1.00 0.00 C ATOM 84 CD1 LEU A 6 -0.211 4.232 -6.413 1.00 0.00 C ATOM 85 CD2 LEU A 6 0.133 2.362 -8.092 1.00 0.00 C ATOM 0 H LEU A 6 3.905 3.854 -6.868 1.00 0.00 H new ATOM 0 HA LEU A 6 2.524 2.622 -9.017 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.161 5.050 -7.325 1.00 0.00 H new ATOM 0 HB3 LEU A 6 1.165 4.820 -8.749 1.00 0.00 H new ATOM 0 HG LEU A 6 1.400 2.848 -6.458 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.869 3.571 -5.849 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.312 4.896 -5.725 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.803 4.825 -7.110 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.532 1.738 -7.495 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.444 2.872 -8.863 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.893 1.738 -8.561 1.00 0.00 H new ATOM 97 N LYS A 7 4.186 5.359 -9.720 1.00 0.00 N ATOM 98 CA LYS A 7 4.728 6.142 -10.818 1.00 0.00 C ATOM 99 C LYS A 7 5.525 5.225 -11.748 1.00 0.00 C ATOM 100 O LYS A 7 5.262 5.173 -12.949 1.00 0.00 O ATOM 101 CB LYS A 7 5.535 7.327 -10.284 1.00 0.00 C ATOM 102 CG LYS A 7 5.316 8.572 -11.145 1.00 0.00 C ATOM 103 CD LYS A 7 5.888 9.817 -10.464 1.00 0.00 C ATOM 104 CE LYS A 7 7.108 10.345 -11.220 1.00 0.00 C ATOM 105 NZ LYS A 7 7.627 11.572 -10.576 1.00 0.00 N ATOM 0 H LYS A 7 4.454 5.684 -8.791 1.00 0.00 H new ATOM 0 HA LYS A 7 3.922 6.576 -11.410 1.00 0.00 H new ATOM 0 HB2 LYS A 7 5.243 7.536 -9.255 1.00 0.00 H new ATOM 0 HB3 LYS A 7 6.595 7.073 -10.269 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.790 8.434 -12.117 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.250 8.710 -11.327 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.123 10.592 -10.414 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.167 9.578 -9.438 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.887 9.582 -11.243 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.838 10.557 -12.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.455 11.917 -11.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.888 12.303 -10.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.904 11.359 -9.596 1.00 0.00 H new ATOM 119 N GLY A 8 6.481 4.523 -11.158 1.00 0.00 N ATOM 120 CA GLY A 8 7.318 3.611 -11.919 1.00 0.00 C ATOM 121 C GLY A 8 6.470 2.555 -12.632 1.00 0.00 C ATOM 122 O GLY A 8 6.585 2.376 -13.843 1.00 0.00 O ATOM 0 H GLY A 8 6.695 4.567 -10.162 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.900 4.171 -12.651 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.029 3.123 -11.253 1.00 0.00 H new ATOM 126 N ILE A 9 5.638 1.883 -11.849 1.00 0.00 N ATOM 127 CA ILE A 9 4.772 0.850 -12.391 1.00 0.00 C ATOM 128 C ILE A 9 3.957 1.429 -13.549 1.00 0.00 C ATOM 129 O ILE A 9 3.903 0.842 -14.629 1.00 0.00 O ATOM 130 CB ILE A 9 3.914 0.235 -11.283 1.00 0.00 C ATOM 131 CG1 ILE A 9 4.655 -0.909 -10.587 1.00 0.00 C ATOM 132 CG2 ILE A 9 2.554 -0.209 -11.825 1.00 0.00 C ATOM 133 CD1 ILE A 9 3.767 -1.578 -9.536 1.00 0.00 C ATOM 0 H ILE A 9 5.546 2.034 -10.844 1.00 0.00 H new ATOM 0 HA ILE A 9 5.365 0.030 -12.797 1.00 0.00 H new ATOM 0 HB ILE A 9 3.726 1.002 -10.531 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.969 -1.646 -11.326 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.560 -0.527 -10.114 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.964 -0.642 -11.017 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.028 0.652 -12.237 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.700 -0.954 -12.608 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.317 -2.387 -9.056 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.475 -0.843 -8.786 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.875 -1.981 -10.016 1.00 0.00 H new ATOM 145 N PHE A 10 3.344 2.573 -13.285 1.00 0.00 N ATOM 146 CA PHE A 10 2.534 3.238 -14.292 1.00 0.00 C ATOM 147 C PHE A 10 3.309 3.395 -15.602 1.00 0.00 C ATOM 148 O PHE A 10 2.848 2.959 -16.656 1.00 0.00 O ATOM 149 CB PHE A 10 2.192 4.626 -13.746 1.00 0.00 C ATOM 150 CG PHE A 10 1.620 5.583 -14.794 1.00 0.00 C ATOM 151 CD1 PHE A 10 2.456 6.249 -15.635 1.00 0.00 C ATOM 152 CD2 PHE A 10 0.276 5.767 -14.885 1.00 0.00 C ATOM 153 CE1 PHE A 10 1.925 7.137 -16.607 1.00 0.00 C ATOM 154 CE2 PHE A 10 -0.255 6.655 -15.857 1.00 0.00 C ATOM 155 CZ PHE A 10 0.581 7.322 -16.698 1.00 0.00 C ATOM 0 H PHE A 10 3.392 3.057 -12.388 1.00 0.00 H new ATOM 0 HA PHE A 10 1.639 2.650 -14.498 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.472 4.519 -12.935 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.091 5.068 -13.317 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.524 6.102 -15.563 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.388 5.237 -14.218 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.589 7.666 -17.275 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.323 6.801 -15.929 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.177 7.998 -17.437 1.00 0.00 H new ATOM 165 N GLU A 11 4.473 4.019 -15.493 1.00 0.00 N ATOM 166 CA GLU A 11 5.316 4.239 -16.656 1.00 0.00 C ATOM 167 C GLU A 11 5.745 2.901 -17.262 1.00 0.00 C ATOM 168 O GLU A 11 5.864 2.777 -18.479 1.00 0.00 O ATOM 169 CB GLU A 11 6.533 5.093 -16.297 1.00 0.00 C ATOM 170 CG GLU A 11 6.418 6.494 -16.902 1.00 0.00 C ATOM 171 CD GLU A 11 7.785 7.178 -16.965 1.00 0.00 C ATOM 172 OE1 GLU A 11 8.511 7.090 -15.951 1.00 0.00 O ATOM 173 OE2 GLU A 11 8.074 7.772 -18.026 1.00 0.00 O ATOM 0 H GLU A 11 4.852 4.379 -14.617 1.00 0.00 H new ATOM 0 HA GLU A 11 4.737 4.784 -17.402 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.623 5.167 -15.213 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.440 4.610 -16.659 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.994 6.428 -17.904 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.733 7.097 -16.305 1.00 0.00 H new ATOM 180 N LYS A 12 5.964 1.933 -16.383 1.00 0.00 N ATOM 181 CA LYS A 12 6.376 0.609 -16.816 1.00 0.00 C ATOM 182 C LYS A 12 5.342 0.052 -17.796 1.00 0.00 C ATOM 183 O LYS A 12 5.683 -0.716 -18.694 1.00 0.00 O ATOM 184 CB LYS A 12 6.628 -0.296 -15.608 1.00 0.00 C ATOM 185 CG LYS A 12 8.056 -0.844 -15.622 1.00 0.00 C ATOM 186 CD LYS A 12 8.085 -2.309 -15.181 1.00 0.00 C ATOM 187 CE LYS A 12 9.139 -2.533 -14.094 1.00 0.00 C ATOM 188 NZ LYS A 12 8.843 -3.768 -13.333 1.00 0.00 N ATOM 0 H LYS A 12 5.864 2.040 -15.374 1.00 0.00 H new ATOM 0 HA LYS A 12 7.325 0.662 -17.349 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.458 0.264 -14.688 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.917 -1.123 -15.614 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.474 -0.754 -16.625 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.684 -0.249 -14.960 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.103 -2.599 -14.806 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.300 -2.947 -16.038 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.128 -2.606 -14.547 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.160 -1.678 -13.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.567 -3.906 -12.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.908 -3.684 -12.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.845 -4.583 -13.979 1.00 0.00 H new ATOM 202 N TYR A 13 4.099 0.462 -17.591 1.00 0.00 N ATOM 203 CA TYR A 13 3.012 0.013 -18.445 1.00 0.00 C ATOM 204 C TYR A 13 2.731 1.030 -19.553 1.00 0.00 C ATOM 205 O TYR A 13 2.453 0.653 -20.691 1.00 0.00 O ATOM 206 CB TYR A 13 1.782 -0.093 -17.542 1.00 0.00 C ATOM 207 CG TYR A 13 1.615 -1.459 -16.875 1.00 0.00 C ATOM 208 CD1 TYR A 13 2.357 -1.776 -15.755 1.00 0.00 C ATOM 209 CD2 TYR A 13 0.723 -2.376 -17.393 1.00 0.00 C ATOM 210 CE1 TYR A 13 2.201 -3.062 -15.127 1.00 0.00 C ATOM 211 CE2 TYR A 13 0.566 -3.662 -16.765 1.00 0.00 C ATOM 212 CZ TYR A 13 1.313 -3.942 -15.663 1.00 0.00 C ATOM 213 OH TYR A 13 1.165 -5.156 -15.070 1.00 0.00 O ATOM 0 H TYR A 13 3.820 1.100 -16.846 1.00 0.00 H new ATOM 0 HA TYR A 13 3.264 -0.935 -18.921 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.845 0.672 -16.768 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.891 0.123 -18.132 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.055 -1.059 -15.350 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.143 -2.129 -18.270 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.776 -3.322 -14.250 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.129 -4.388 -17.160 1.00 0.00 H new ATOM 0 HH TYR A 13 1.233 -5.861 -15.747 1.00 0.00 H new ATOM 223 N ALA A 14 2.812 2.299 -19.183 1.00 0.00 N ATOM 224 CA ALA A 14 2.570 3.373 -20.131 1.00 0.00 C ATOM 225 C ALA A 14 3.669 3.365 -21.196 1.00 0.00 C ATOM 226 O ALA A 14 3.461 3.842 -22.311 1.00 0.00 O ATOM 227 CB ALA A 14 2.491 4.706 -19.384 1.00 0.00 C ATOM 0 H ALA A 14 3.042 2.608 -18.239 1.00 0.00 H new ATOM 0 HA ALA A 14 1.617 3.228 -20.640 1.00 0.00 H new ATOM 0 HB1 ALA A 14 2.309 5.512 -20.095 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.676 4.670 -18.661 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.431 4.887 -18.863 1.00 0.00 H new ATOM 233 N ALA A 15 4.814 2.818 -20.814 1.00 0.00 N ATOM 234 CA ALA A 15 5.946 2.742 -21.722 1.00 0.00 C ATOM 235 C ALA A 15 5.796 1.508 -22.614 1.00 0.00 C ATOM 236 O ALA A 15 6.405 1.431 -23.680 1.00 0.00 O ATOM 237 CB ALA A 15 7.246 2.725 -20.917 1.00 0.00 C ATOM 0 H ALA A 15 4.982 2.423 -19.889 1.00 0.00 H new ATOM 0 HA ALA A 15 5.977 3.617 -22.372 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.095 2.668 -21.598 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.318 3.636 -20.323 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.253 1.859 -20.255 1.00 0.00 H new ATOM 243 N LYS A 16 4.982 0.574 -22.146 1.00 0.00 N ATOM 244 CA LYS A 16 4.745 -0.653 -22.888 1.00 0.00 C ATOM 245 C LYS A 16 4.294 -0.305 -24.308 1.00 0.00 C ATOM 246 O LYS A 16 5.000 -0.588 -25.274 1.00 0.00 O ATOM 247 CB LYS A 16 3.765 -1.554 -22.134 1.00 0.00 C ATOM 248 CG LYS A 16 4.316 -2.975 -22.004 1.00 0.00 C ATOM 249 CD LYS A 16 3.222 -3.949 -21.560 1.00 0.00 C ATOM 250 CE LYS A 16 3.457 -5.342 -22.146 1.00 0.00 C ATOM 251 NZ LYS A 16 4.593 -6.005 -21.467 1.00 0.00 N ATOM 0 H LYS A 16 4.478 0.642 -21.262 1.00 0.00 H new ATOM 0 HA LYS A 16 5.666 -1.229 -22.978 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.575 -1.142 -21.143 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.810 -1.577 -22.658 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.729 -3.298 -22.960 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.133 -2.987 -21.283 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.202 -4.007 -20.472 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.248 -3.577 -21.877 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.557 -5.946 -22.035 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.659 -5.264 -23.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.739 -6.950 -21.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.454 -5.435 -21.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.385 -6.096 -20.452 1.00 0.00 H new ATOM 265 N GLU A 17 3.119 0.303 -24.389 1.00 0.00 N ATOM 266 CA GLU A 17 2.565 0.692 -25.675 1.00 0.00 C ATOM 267 C GLU A 17 2.419 2.213 -25.751 1.00 0.00 C ATOM 268 O GLU A 17 1.878 2.835 -24.838 1.00 0.00 O ATOM 269 CB GLU A 17 1.225 -0.002 -25.927 1.00 0.00 C ATOM 270 CG GLU A 17 1.432 -1.458 -26.348 1.00 0.00 C ATOM 271 CD GLU A 17 0.605 -1.792 -27.591 1.00 0.00 C ATOM 272 OE1 GLU A 17 -0.586 -1.412 -27.599 1.00 0.00 O ATOM 273 OE2 GLU A 17 1.182 -2.420 -28.505 1.00 0.00 O ATOM 0 H GLU A 17 2.536 0.536 -23.585 1.00 0.00 H new ATOM 0 HA GLU A 17 3.254 0.373 -26.458 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.616 0.036 -25.024 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.676 0.530 -26.704 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.488 -1.635 -26.551 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.149 -2.121 -25.530 1.00 0.00 H new ATOM 280 N GLY A 18 2.909 2.768 -26.850 1.00 0.00 N ATOM 281 CA GLY A 18 2.839 4.205 -27.057 1.00 0.00 C ATOM 282 C GLY A 18 3.683 4.950 -26.021 1.00 0.00 C ATOM 283 O GLY A 18 4.313 4.330 -25.165 1.00 0.00 O ATOM 0 H GLY A 18 3.356 2.249 -27.606 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.189 4.449 -28.060 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.802 4.535 -26.992 1.00 0.00 H new ATOM 287 N ASP A 19 3.669 6.270 -26.132 1.00 0.00 N ATOM 288 CA ASP A 19 4.425 7.107 -25.216 1.00 0.00 C ATOM 289 C ASP A 19 3.985 6.811 -23.781 1.00 0.00 C ATOM 290 O ASP A 19 2.795 6.651 -23.513 1.00 0.00 O ATOM 291 CB ASP A 19 4.175 8.591 -25.491 1.00 0.00 C ATOM 292 CG ASP A 19 5.347 9.517 -25.158 1.00 0.00 C ATOM 293 OD1 ASP A 19 5.508 9.818 -23.955 1.00 0.00 O ATOM 294 OD2 ASP A 19 6.055 9.902 -26.113 1.00 0.00 O ATOM 0 H ASP A 19 3.146 6.781 -26.843 1.00 0.00 H new ATOM 0 HA ASP A 19 5.484 6.888 -25.355 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.924 8.712 -26.545 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.305 8.910 -24.917 1.00 0.00 H new ATOM 299 N PRO A 20 4.994 6.746 -22.871 1.00 0.00 N ATOM 300 CA PRO A 20 4.722 6.473 -21.470 1.00 0.00 C ATOM 301 C PRO A 20 4.130 7.701 -20.777 1.00 0.00 C ATOM 302 O PRO A 20 3.840 7.664 -19.582 1.00 0.00 O ATOM 303 CB PRO A 20 6.060 6.049 -20.886 1.00 0.00 C ATOM 304 CG PRO A 20 7.116 6.544 -21.860 1.00 0.00 C ATOM 305 CD PRO A 20 6.415 6.931 -23.152 1.00 0.00 C ATOM 0 HA PRO A 20 3.975 5.691 -21.331 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.209 6.481 -19.896 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.111 4.966 -20.772 1.00 0.00 H new ATOM 0 HG2 PRO A 20 7.648 7.399 -21.444 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.858 5.767 -22.046 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.633 7.963 -23.428 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.740 6.304 -23.982 1.00 0.00 H new ATOM 313 N ASN A 21 3.968 8.761 -21.556 1.00 0.00 N ATOM 314 CA ASN A 21 3.415 9.998 -21.032 1.00 0.00 C ATOM 315 C ASN A 21 1.892 9.971 -21.172 1.00 0.00 C ATOM 316 O ASN A 21 1.185 10.664 -20.443 1.00 0.00 O ATOM 317 CB ASN A 21 3.940 11.208 -21.807 1.00 0.00 C ATOM 318 CG ASN A 21 5.339 11.602 -21.327 1.00 0.00 C ATOM 319 OD1 ASN A 21 5.539 12.619 -20.685 1.00 0.00 O ATOM 320 ND2 ASN A 21 6.292 10.741 -21.674 1.00 0.00 N ATOM 0 H ASN A 21 4.210 8.788 -22.546 1.00 0.00 H new ATOM 0 HA ASN A 21 3.711 10.083 -19.987 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.969 10.978 -22.872 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.258 12.049 -21.681 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.260 10.914 -21.401 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.055 9.908 -22.213 1.00 0.00 H new ATOM 327 N GLN A 22 1.431 9.163 -22.116 1.00 0.00 N ATOM 328 CA GLN A 22 0.004 9.037 -22.362 1.00 0.00 C ATOM 329 C GLN A 22 -0.401 7.561 -22.389 1.00 0.00 C ATOM 330 O GLN A 22 0.114 6.788 -23.195 1.00 0.00 O ATOM 331 CB GLN A 22 -0.392 9.739 -23.662 1.00 0.00 C ATOM 332 CG GLN A 22 0.753 9.703 -24.676 1.00 0.00 C ATOM 333 CD GLN A 22 0.304 10.257 -26.030 1.00 0.00 C ATOM 334 OE1 GLN A 22 -0.627 11.039 -26.131 1.00 0.00 O ATOM 335 NE2 GLN A 22 1.016 9.810 -27.060 1.00 0.00 N ATOM 0 H GLN A 22 2.020 8.589 -22.719 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.531 9.525 -21.547 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -1.273 9.257 -24.086 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -0.664 10.773 -23.452 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.594 10.286 -24.301 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.105 8.678 -24.797 1.00 0.00 H new ATOM 0 HE21 GLN A 22 1.783 9.156 -26.904 1.00 0.00 H new ATOM 0 HE22 GLN A 22 0.795 10.121 -28.006 1.00 0.00 H new ATOM 344 N LEU A 23 -1.319 7.216 -21.499 1.00 0.00 N ATOM 345 CA LEU A 23 -1.800 5.848 -21.412 1.00 0.00 C ATOM 346 C LEU A 23 -2.889 5.625 -22.463 1.00 0.00 C ATOM 347 O LEU A 23 -3.308 6.566 -23.136 1.00 0.00 O ATOM 348 CB LEU A 23 -2.248 5.528 -19.985 1.00 0.00 C ATOM 349 CG LEU A 23 -1.468 4.424 -19.268 1.00 0.00 C ATOM 350 CD1 LEU A 23 -0.803 4.959 -17.998 1.00 0.00 C ATOM 351 CD2 LEU A 23 -2.363 3.217 -18.981 1.00 0.00 C ATOM 0 H LEU A 23 -1.743 7.860 -20.831 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.995 5.147 -21.634 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.178 6.439 -19.391 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.300 5.244 -20.011 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.672 4.084 -19.930 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.255 4.154 -17.507 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.113 5.761 -18.259 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.567 5.343 -17.322 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.784 2.447 -18.471 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.195 3.524 -18.348 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.749 2.819 -19.919 1.00 0.00 H new ATOM 363 N SER A 24 -3.315 4.376 -22.572 1.00 0.00 N ATOM 364 CA SER A 24 -4.347 4.018 -23.531 1.00 0.00 C ATOM 365 C SER A 24 -5.239 2.918 -22.953 1.00 0.00 C ATOM 366 O SER A 24 -4.909 2.320 -21.930 1.00 0.00 O ATOM 367 CB SER A 24 -3.734 3.562 -24.856 1.00 0.00 C ATOM 368 OG SER A 24 -3.078 4.629 -25.536 1.00 0.00 O ATOM 0 H SER A 24 -2.965 3.599 -22.012 1.00 0.00 H new ATOM 0 HA SER A 24 -4.952 4.903 -23.728 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.021 2.759 -24.668 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.516 3.151 -25.495 1.00 0.00 H new ATOM 0 HG SER A 24 -2.698 4.297 -26.376 1.00 0.00 H new ATOM 374 N LYS A 25 -6.352 2.685 -23.632 1.00 0.00 N ATOM 375 CA LYS A 25 -7.294 1.667 -23.199 1.00 0.00 C ATOM 376 C LYS A 25 -6.565 0.329 -23.061 1.00 0.00 C ATOM 377 O LYS A 25 -6.558 -0.270 -21.987 1.00 0.00 O ATOM 378 CB LYS A 25 -8.499 1.616 -24.141 1.00 0.00 C ATOM 379 CG LYS A 25 -9.621 0.760 -23.551 1.00 0.00 C ATOM 380 CD LYS A 25 -10.515 0.191 -24.654 1.00 0.00 C ATOM 381 CE LYS A 25 -11.956 0.682 -24.500 1.00 0.00 C ATOM 382 NZ LYS A 25 -12.351 1.502 -25.667 1.00 0.00 N ATOM 0 H LYS A 25 -6.623 3.184 -24.479 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.697 1.914 -22.217 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.865 2.626 -24.324 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.194 1.208 -25.105 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.193 -0.056 -22.968 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.220 1.361 -22.866 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.128 0.487 -25.629 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.493 -0.898 -24.620 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.628 -0.170 -24.402 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.051 1.269 -23.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.386 1.488 -25.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.029 2.481 -25.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.915 1.113 -26.528 1.00 0.00 H new ATOM 396 N GLU A 26 -5.970 -0.101 -24.164 1.00 0.00 N ATOM 397 CA GLU A 26 -5.240 -1.357 -24.179 1.00 0.00 C ATOM 398 C GLU A 26 -4.137 -1.343 -23.118 1.00 0.00 C ATOM 399 O GLU A 26 -3.951 -2.323 -22.398 1.00 0.00 O ATOM 400 CB GLU A 26 -4.661 -1.638 -25.567 1.00 0.00 C ATOM 401 CG GLU A 26 -5.109 -3.008 -26.081 1.00 0.00 C ATOM 402 CD GLU A 26 -4.015 -4.057 -25.869 1.00 0.00 C ATOM 403 OE1 GLU A 26 -3.850 -4.478 -24.704 1.00 0.00 O ATOM 404 OE2 GLU A 26 -3.369 -4.415 -26.878 1.00 0.00 O ATOM 0 H GLU A 26 -5.979 0.398 -25.054 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.936 -2.162 -23.941 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.981 -0.862 -26.262 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.572 -1.599 -25.526 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.018 -3.315 -25.564 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.353 -2.941 -27.141 1.00 0.00 H new ATOM 411 N GLU A 27 -3.435 -0.221 -23.054 1.00 0.00 N ATOM 412 CA GLU A 27 -2.357 -0.067 -22.093 1.00 0.00 C ATOM 413 C GLU A 27 -2.888 -0.229 -20.668 1.00 0.00 C ATOM 414 O GLU A 27 -2.427 -1.093 -19.924 1.00 0.00 O ATOM 415 CB GLU A 27 -1.656 1.282 -22.267 1.00 0.00 C ATOM 416 CG GLU A 27 -0.385 1.136 -23.106 1.00 0.00 C ATOM 417 CD GLU A 27 0.676 2.150 -22.675 1.00 0.00 C ATOM 418 OE1 GLU A 27 0.273 3.284 -22.336 1.00 0.00 O ATOM 419 OE2 GLU A 27 1.866 1.769 -22.694 1.00 0.00 O ATOM 0 H GLU A 27 -3.592 0.590 -23.652 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.620 -0.849 -22.276 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.333 1.988 -22.747 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.405 1.694 -21.290 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.009 0.125 -23.002 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.622 1.279 -24.160 1.00 0.00 H new ATOM 426 N LEU A 28 -3.851 0.616 -20.330 1.00 0.00 N ATOM 427 CA LEU A 28 -4.451 0.578 -19.007 1.00 0.00 C ATOM 428 C LEU A 28 -4.988 -0.829 -18.736 1.00 0.00 C ATOM 429 O LEU A 28 -4.809 -1.366 -17.643 1.00 0.00 O ATOM 430 CB LEU A 28 -5.506 1.676 -18.864 1.00 0.00 C ATOM 431 CG LEU A 28 -5.775 2.167 -17.440 1.00 0.00 C ATOM 432 CD1 LEU A 28 -4.608 1.824 -16.512 1.00 0.00 C ATOM 433 CD2 LEU A 28 -6.096 3.663 -17.427 1.00 0.00 C ATOM 0 H LEU A 28 -4.231 1.331 -20.950 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.702 0.787 -18.244 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.198 2.529 -19.469 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.443 1.309 -19.283 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.653 1.646 -17.060 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.825 2.184 -15.506 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.468 0.743 -16.488 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.699 2.300 -16.880 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.283 3.986 -16.403 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.252 4.220 -17.835 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.982 3.850 -18.034 1.00 0.00 H new ATOM 445 N LYS A 29 -5.635 -1.386 -19.749 1.00 0.00 N ATOM 446 CA LYS A 29 -6.199 -2.721 -19.633 1.00 0.00 C ATOM 447 C LYS A 29 -5.193 -3.636 -18.932 1.00 0.00 C ATOM 448 O LYS A 29 -5.508 -4.240 -17.907 1.00 0.00 O ATOM 449 CB LYS A 29 -6.645 -3.234 -21.004 1.00 0.00 C ATOM 450 CG LYS A 29 -7.281 -4.621 -20.889 1.00 0.00 C ATOM 451 CD LYS A 29 -8.311 -4.845 -21.999 1.00 0.00 C ATOM 452 CE LYS A 29 -7.777 -5.817 -23.053 1.00 0.00 C ATOM 453 NZ LYS A 29 -8.206 -5.399 -24.407 1.00 0.00 N ATOM 0 H LYS A 29 -5.781 -0.938 -20.654 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.098 -2.703 -19.016 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.360 -2.537 -21.442 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.788 -3.277 -21.677 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.507 -5.386 -20.946 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.761 -4.726 -19.916 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.233 -5.238 -21.571 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.558 -3.893 -22.469 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.689 -5.853 -23.005 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.139 -6.824 -22.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.835 -6.069 -25.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.245 -5.387 -24.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.839 -4.447 -24.609 1.00 0.00 H new ATOM 467 N LEU A 30 -4.004 -3.710 -19.511 1.00 0.00 N ATOM 468 CA LEU A 30 -2.951 -4.541 -18.954 1.00 0.00 C ATOM 469 C LEU A 30 -2.744 -4.178 -17.482 1.00 0.00 C ATOM 470 O LEU A 30 -2.870 -5.031 -16.605 1.00 0.00 O ATOM 471 CB LEU A 30 -1.679 -4.432 -19.798 1.00 0.00 C ATOM 472 CG LEU A 30 -1.825 -4.790 -21.279 1.00 0.00 C ATOM 473 CD1 LEU A 30 -0.470 -5.151 -21.891 1.00 0.00 C ATOM 474 CD2 LEU A 30 -2.857 -5.902 -21.476 1.00 0.00 C ATOM 0 H LEU A 30 -3.747 -3.208 -20.361 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.239 -5.592 -18.986 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.305 -3.411 -19.726 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.920 -5.080 -19.361 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.194 -3.911 -21.808 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.601 -5.401 -22.944 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.207 -4.302 -21.802 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.049 -6.008 -21.364 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.941 -6.137 -22.537 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.541 -6.792 -20.931 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.825 -5.571 -21.100 1.00 0.00 H new ATOM 486 N LEU A 31 -2.432 -2.910 -17.257 1.00 0.00 N ATOM 487 CA LEU A 31 -2.207 -2.423 -15.907 1.00 0.00 C ATOM 488 C LEU A 31 -3.356 -2.882 -15.006 1.00 0.00 C ATOM 489 O LEU A 31 -3.145 -3.651 -14.069 1.00 0.00 O ATOM 490 CB LEU A 31 -1.998 -0.908 -15.911 1.00 0.00 C ATOM 491 CG LEU A 31 -1.200 -0.337 -14.737 1.00 0.00 C ATOM 492 CD1 LEU A 31 -0.032 0.519 -15.232 1.00 0.00 C ATOM 493 CD2 LEU A 31 -2.110 0.434 -13.779 1.00 0.00 C ATOM 0 H LEU A 31 -2.330 -2.205 -17.987 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.290 -2.847 -15.498 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.491 -0.634 -16.836 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.976 -0.427 -15.928 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.774 -1.169 -14.177 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.518 0.913 -14.377 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.633 -0.091 -15.842 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.415 1.347 -15.829 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.518 0.829 -12.954 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.585 1.258 -14.312 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.877 -0.235 -13.388 1.00 0.00 H new ATOM 505 N LEU A 32 -4.545 -2.392 -15.322 1.00 0.00 N ATOM 506 CA LEU A 32 -5.727 -2.743 -14.553 1.00 0.00 C ATOM 507 C LEU A 32 -5.774 -4.260 -14.360 1.00 0.00 C ATOM 508 O LEU A 32 -6.399 -4.751 -13.421 1.00 0.00 O ATOM 509 CB LEU A 32 -6.984 -2.168 -15.210 1.00 0.00 C ATOM 510 CG LEU A 32 -6.979 -0.658 -15.461 1.00 0.00 C ATOM 511 CD1 LEU A 32 -8.106 -0.257 -16.415 1.00 0.00 C ATOM 512 CD2 LEU A 32 -7.039 0.117 -14.144 1.00 0.00 C ATOM 0 H LEU A 32 -4.716 -1.755 -16.100 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.681 -2.296 -13.560 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.136 -2.674 -16.163 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.841 -2.409 -14.581 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.039 -0.395 -15.946 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.080 0.821 -16.576 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.976 -0.770 -17.368 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.066 -0.536 -15.981 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.034 1.187 -14.351 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.952 -0.145 -13.609 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.174 -0.138 -13.532 1.00 0.00 H new ATOM 524 N GLN A 33 -5.104 -4.960 -15.264 1.00 0.00 N ATOM 525 CA GLN A 33 -5.061 -6.411 -15.205 1.00 0.00 C ATOM 526 C GLN A 33 -4.211 -6.869 -14.018 1.00 0.00 C ATOM 527 O GLN A 33 -4.723 -7.483 -13.083 1.00 0.00 O ATOM 528 CB GLN A 33 -4.534 -6.998 -16.516 1.00 0.00 C ATOM 529 CG GLN A 33 -5.375 -8.197 -16.957 1.00 0.00 C ATOM 530 CD GLN A 33 -4.797 -8.836 -18.222 1.00 0.00 C ATOM 531 OE1 GLN A 33 -3.828 -9.575 -18.188 1.00 0.00 O ATOM 532 NE2 GLN A 33 -5.446 -8.510 -19.336 1.00 0.00 N ATOM 0 H GLN A 33 -4.587 -4.549 -16.041 1.00 0.00 H new ATOM 0 HA GLN A 33 -6.077 -6.780 -15.063 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.549 -6.233 -17.293 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.496 -7.304 -16.390 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.411 -8.935 -16.156 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -6.401 -7.878 -17.142 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -6.251 -7.885 -19.293 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -5.139 -8.885 -20.233 1.00 0.00 H new ATOM 541 N THR A 34 -2.927 -6.552 -14.094 1.00 0.00 N ATOM 542 CA THR A 34 -2.001 -6.923 -13.037 1.00 0.00 C ATOM 543 C THR A 34 -2.115 -5.951 -11.862 1.00 0.00 C ATOM 544 O THR A 34 -2.254 -6.373 -10.714 1.00 0.00 O ATOM 545 CB THR A 34 -0.596 -6.985 -13.640 1.00 0.00 C ATOM 546 OG1 THR A 34 -0.340 -8.379 -13.784 1.00 0.00 O ATOM 547 CG2 THR A 34 0.482 -6.508 -12.664 1.00 0.00 C ATOM 0 H THR A 34 -2.506 -6.043 -14.871 1.00 0.00 H new ATOM 0 HA THR A 34 -2.240 -7.905 -12.629 1.00 0.00 H new ATOM 0 HB THR A 34 -0.563 -6.377 -14.544 1.00 0.00 H new ATOM 0 HG1 THR A 34 0.551 -8.510 -14.171 1.00 0.00 H new ATOM 0 HG21 THR A 34 1.460 -6.572 -13.142 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.284 -5.474 -12.380 1.00 0.00 H new ATOM 0 HG23 THR A 34 0.471 -7.137 -11.774 1.00 0.00 H new ATOM 555 N GLU A 35 -2.053 -4.668 -12.187 1.00 0.00 N ATOM 556 CA GLU A 35 -2.148 -3.633 -11.173 1.00 0.00 C ATOM 557 C GLU A 35 -3.311 -3.926 -10.223 1.00 0.00 C ATOM 558 O GLU A 35 -3.109 -4.094 -9.022 1.00 0.00 O ATOM 559 CB GLU A 35 -2.296 -2.251 -11.812 1.00 0.00 C ATOM 560 CG GLU A 35 -2.396 -1.160 -10.743 1.00 0.00 C ATOM 561 CD GLU A 35 -3.679 -0.344 -10.911 1.00 0.00 C ATOM 562 OE1 GLU A 35 -4.622 -0.888 -11.525 1.00 0.00 O ATOM 563 OE2 GLU A 35 -3.688 0.806 -10.422 1.00 0.00 O ATOM 0 H GLU A 35 -1.938 -4.322 -13.140 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.224 -3.632 -10.595 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.442 -2.053 -12.460 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.186 -2.231 -12.442 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.377 -1.614 -9.752 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.530 -0.501 -10.809 1.00 0.00 H new ATOM 570 N PHE A 36 -4.504 -3.977 -10.798 1.00 0.00 N ATOM 571 CA PHE A 36 -5.700 -4.246 -10.018 1.00 0.00 C ATOM 572 C PHE A 36 -6.770 -4.929 -10.872 1.00 0.00 C ATOM 573 O PHE A 36 -7.605 -4.260 -11.478 1.00 0.00 O ATOM 574 CB PHE A 36 -6.234 -2.895 -9.537 1.00 0.00 C ATOM 575 CG PHE A 36 -5.890 -2.573 -8.082 1.00 0.00 C ATOM 576 CD1 PHE A 36 -4.631 -2.176 -7.752 1.00 0.00 C ATOM 577 CD2 PHE A 36 -6.843 -2.682 -7.117 1.00 0.00 C ATOM 578 CE1 PHE A 36 -4.312 -1.877 -6.401 1.00 0.00 C ATOM 579 CE2 PHE A 36 -6.523 -2.382 -5.767 1.00 0.00 C ATOM 580 CZ PHE A 36 -5.265 -1.986 -5.437 1.00 0.00 C ATOM 0 H PHE A 36 -4.668 -3.837 -11.795 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.460 -4.908 -9.186 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.833 -2.109 -10.177 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.317 -2.881 -9.655 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.874 -2.088 -8.518 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.843 -2.997 -7.378 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.312 -1.563 -6.139 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.280 -2.468 -5.001 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.023 -1.758 -4.410 1.00 0.00 H new ATOM 590 N PRO A 37 -6.707 -6.287 -10.894 1.00 0.00 N ATOM 591 CA PRO A 37 -7.660 -7.068 -11.664 1.00 0.00 C ATOM 592 C PRO A 37 -9.024 -7.108 -10.971 1.00 0.00 C ATOM 593 O PRO A 37 -9.959 -7.733 -11.469 1.00 0.00 O ATOM 594 CB PRO A 37 -7.024 -8.442 -11.801 1.00 0.00 C ATOM 595 CG PRO A 37 -5.962 -8.519 -10.716 1.00 0.00 C ATOM 596 CD PRO A 37 -5.731 -7.113 -10.189 1.00 0.00 C ATOM 0 HA PRO A 37 -7.861 -6.637 -12.645 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.767 -9.230 -11.677 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -6.583 -8.572 -12.789 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.285 -9.180 -9.912 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.037 -8.933 -11.116 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.878 -7.066 -9.110 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.713 -6.778 -10.387 1.00 0.00 H new ATOM 604 N SER A 38 -9.093 -6.432 -9.834 1.00 0.00 N ATOM 605 CA SER A 38 -10.327 -6.381 -9.068 1.00 0.00 C ATOM 606 C SER A 38 -11.188 -5.207 -9.537 1.00 0.00 C ATOM 607 O SER A 38 -12.414 -5.266 -9.472 1.00 0.00 O ATOM 608 CB SER A 38 -10.040 -6.263 -7.569 1.00 0.00 C ATOM 609 OG SER A 38 -10.631 -7.327 -6.827 1.00 0.00 O ATOM 0 H SER A 38 -8.315 -5.915 -9.425 1.00 0.00 H new ATOM 0 HA SER A 38 -10.871 -7.311 -9.235 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.962 -6.262 -7.405 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.420 -5.310 -7.201 1.00 0.00 H new ATOM 0 HG SER A 38 -10.424 -7.217 -5.876 1.00 0.00 H new ATOM 615 N LEU A 39 -10.510 -4.167 -10.001 1.00 0.00 N ATOM 616 CA LEU A 39 -11.198 -2.980 -10.482 1.00 0.00 C ATOM 617 C LEU A 39 -11.940 -3.316 -11.776 1.00 0.00 C ATOM 618 O LEU A 39 -12.887 -2.624 -12.150 1.00 0.00 O ATOM 619 CB LEU A 39 -10.218 -1.813 -10.619 1.00 0.00 C ATOM 620 CG LEU A 39 -10.477 -0.610 -9.710 1.00 0.00 C ATOM 621 CD1 LEU A 39 -11.534 0.317 -10.313 1.00 0.00 C ATOM 622 CD2 LEU A 39 -10.850 -1.061 -8.296 1.00 0.00 C ATOM 0 H LEU A 39 -9.492 -4.122 -10.054 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.947 -2.654 -9.761 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.212 -2.184 -10.420 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -10.233 -1.471 -11.654 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.553 -0.037 -9.632 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.699 1.164 -9.646 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.190 0.679 -11.282 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -12.468 -0.231 -10.441 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.029 -0.186 -7.670 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.753 -1.670 -8.335 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.034 -1.648 -7.874 1.00 0.00 H new ATOM 634 N LEU A 40 -11.484 -4.377 -12.425 1.00 0.00 N ATOM 635 CA LEU A 40 -12.094 -4.813 -13.670 1.00 0.00 C ATOM 636 C LEU A 40 -13.431 -5.491 -13.368 1.00 0.00 C ATOM 637 O LEU A 40 -14.334 -5.491 -14.203 1.00 0.00 O ATOM 638 CB LEU A 40 -11.124 -5.691 -14.463 1.00 0.00 C ATOM 639 CG LEU A 40 -9.875 -4.992 -15.004 1.00 0.00 C ATOM 640 CD1 LEU A 40 -8.874 -6.009 -15.558 1.00 0.00 C ATOM 641 CD2 LEU A 40 -10.247 -3.931 -16.042 1.00 0.00 C ATOM 0 H LEU A 40 -10.699 -4.948 -12.112 1.00 0.00 H new ATOM 0 HA LEU A 40 -12.308 -3.957 -14.310 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.807 -6.516 -13.825 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.664 -6.128 -15.303 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.387 -4.477 -14.177 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.996 -5.486 -15.936 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.575 -6.694 -14.765 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.338 -6.572 -16.368 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.341 -3.449 -16.411 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.771 -4.403 -16.873 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.894 -3.184 -15.583 1.00 0.00 H new ATOM 653 N LYS A 41 -13.516 -6.053 -12.171 1.00 0.00 N ATOM 654 CA LYS A 41 -14.728 -6.734 -11.748 1.00 0.00 C ATOM 655 C LYS A 41 -15.837 -5.702 -11.528 1.00 0.00 C ATOM 656 O LYS A 41 -17.003 -5.968 -11.814 1.00 0.00 O ATOM 657 CB LYS A 41 -14.452 -7.611 -10.526 1.00 0.00 C ATOM 658 CG LYS A 41 -13.484 -8.744 -10.871 1.00 0.00 C ATOM 659 CD LYS A 41 -13.902 -10.049 -10.191 1.00 0.00 C ATOM 660 CE LYS A 41 -13.664 -11.248 -11.111 1.00 0.00 C ATOM 661 NZ LYS A 41 -14.854 -11.498 -11.954 1.00 0.00 N ATOM 0 H LYS A 41 -12.765 -6.051 -11.481 1.00 0.00 H new ATOM 0 HA LYS A 41 -15.074 -7.414 -12.526 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -14.034 -7.002 -9.724 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -15.388 -8.028 -10.155 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -13.455 -8.886 -11.951 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -12.476 -8.473 -10.558 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.339 -10.178 -9.267 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.956 -9.999 -9.918 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.796 -11.062 -11.743 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.441 -12.133 -10.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.676 -12.315 -12.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -15.674 -11.696 -11.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -15.049 -10.659 -12.537 1.00 0.00 H new ATOM 675 N GLY A 42 -15.433 -4.547 -11.020 1.00 0.00 N ATOM 676 CA GLY A 42 -16.377 -3.474 -10.757 1.00 0.00 C ATOM 677 C GLY A 42 -17.402 -3.357 -11.887 1.00 0.00 C ATOM 678 O GLY A 42 -17.204 -3.908 -12.969 1.00 0.00 O ATOM 0 H GLY A 42 -14.465 -4.331 -10.783 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -16.890 -3.659 -9.813 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -15.841 -2.531 -10.648 1.00 0.00 H new ATOM 682 N MET A 43 -18.475 -2.635 -11.598 1.00 0.00 N ATOM 683 CA MET A 43 -19.531 -2.439 -12.576 1.00 0.00 C ATOM 684 C MET A 43 -19.070 -1.512 -13.702 1.00 0.00 C ATOM 685 O MET A 43 -19.801 -1.288 -14.666 1.00 0.00 O ATOM 686 CB MET A 43 -20.758 -1.836 -11.889 1.00 0.00 C ATOM 687 CG MET A 43 -21.270 -2.755 -10.777 1.00 0.00 C ATOM 688 SD MET A 43 -22.356 -3.995 -11.462 1.00 0.00 S ATOM 689 CE MET A 43 -22.732 -4.926 -9.987 1.00 0.00 C ATOM 0 H MET A 43 -18.635 -2.179 -10.700 1.00 0.00 H new ATOM 0 HA MET A 43 -19.784 -3.407 -13.008 1.00 0.00 H new ATOM 0 HB2 MET A 43 -20.504 -0.861 -11.472 1.00 0.00 H new ATOM 0 HB3 MET A 43 -21.547 -1.673 -12.623 1.00 0.00 H new ATOM 0 HG2 MET A 43 -20.430 -3.233 -10.274 1.00 0.00 H new ATOM 0 HG3 MET A 43 -21.801 -2.170 -10.026 1.00 0.00 H new ATOM 0 HE1 MET A 43 -23.405 -5.746 -10.236 1.00 0.00 H new ATOM 0 HE2 MET A 43 -21.811 -5.328 -9.566 1.00 0.00 H new ATOM 0 HE3 MET A 43 -23.210 -4.273 -9.257 1.00 0.00 H new ATOM 699 N SER A 44 -17.859 -0.997 -13.543 1.00 0.00 N ATOM 700 CA SER A 44 -17.291 -0.099 -14.535 1.00 0.00 C ATOM 701 C SER A 44 -16.448 -0.891 -15.536 1.00 0.00 C ATOM 702 O SER A 44 -15.292 -1.210 -15.265 1.00 0.00 O ATOM 703 CB SER A 44 -16.445 0.989 -13.872 1.00 0.00 C ATOM 704 OG SER A 44 -17.187 1.729 -12.907 1.00 0.00 O ATOM 0 H SER A 44 -17.256 -1.184 -12.742 1.00 0.00 H new ATOM 0 HA SER A 44 -18.110 0.388 -15.065 1.00 0.00 H new ATOM 0 HB2 SER A 44 -15.580 0.533 -13.392 1.00 0.00 H new ATOM 0 HB3 SER A 44 -16.065 1.668 -14.635 1.00 0.00 H new ATOM 0 HG SER A 44 -16.611 2.413 -12.505 1.00 0.00 H new ATOM 710 N THR A 45 -17.061 -1.187 -16.674 1.00 0.00 N ATOM 711 CA THR A 45 -16.381 -1.935 -17.717 1.00 0.00 C ATOM 712 C THR A 45 -15.178 -1.148 -18.241 1.00 0.00 C ATOM 713 O THR A 45 -15.010 0.025 -17.914 1.00 0.00 O ATOM 714 CB THR A 45 -17.406 -2.272 -18.802 1.00 0.00 C ATOM 715 OG1 THR A 45 -17.768 -1.004 -19.343 1.00 0.00 O ATOM 716 CG2 THR A 45 -18.714 -2.817 -18.223 1.00 0.00 C ATOM 0 H THR A 45 -18.021 -0.922 -16.896 1.00 0.00 H new ATOM 0 HA THR A 45 -15.974 -2.870 -17.332 1.00 0.00 H new ATOM 0 HB THR A 45 -16.980 -3.004 -19.489 1.00 0.00 H new ATOM 0 HG1 THR A 45 -18.429 -1.129 -20.056 1.00 0.00 H new ATOM 0 HG21 THR A 45 -19.406 -3.040 -19.035 1.00 0.00 H new ATOM 0 HG22 THR A 45 -18.511 -3.727 -17.659 1.00 0.00 H new ATOM 0 HG23 THR A 45 -19.158 -2.072 -17.562 1.00 0.00 H new ATOM 724 N LEU A 46 -14.373 -1.826 -19.046 1.00 0.00 N ATOM 725 CA LEU A 46 -13.191 -1.205 -19.618 1.00 0.00 C ATOM 726 C LEU A 46 -13.585 0.116 -20.282 1.00 0.00 C ATOM 727 O LEU A 46 -13.117 1.181 -19.879 1.00 0.00 O ATOM 728 CB LEU A 46 -12.478 -2.177 -20.560 1.00 0.00 C ATOM 729 CG LEU A 46 -10.968 -1.978 -20.712 1.00 0.00 C ATOM 730 CD1 LEU A 46 -10.194 -3.065 -19.965 1.00 0.00 C ATOM 731 CD2 LEU A 46 -10.571 -1.902 -22.188 1.00 0.00 C ATOM 0 H LEU A 46 -14.516 -2.799 -19.315 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.470 -0.967 -18.836 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.657 -3.192 -20.206 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -12.936 -2.098 -21.546 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.701 -1.024 -20.258 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.124 -2.900 -20.089 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.446 -3.028 -18.905 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.460 -4.043 -20.367 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.493 -1.760 -22.268 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.854 -2.828 -22.689 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -11.083 -1.063 -22.660 1.00 0.00 H new ATOM 743 N ASP A 47 -14.441 0.005 -21.287 1.00 0.00 N ATOM 744 CA ASP A 47 -14.903 1.178 -22.010 1.00 0.00 C ATOM 745 C ASP A 47 -15.257 2.281 -21.010 1.00 0.00 C ATOM 746 O ASP A 47 -14.756 3.399 -21.112 1.00 0.00 O ATOM 747 CB ASP A 47 -16.156 0.862 -22.829 1.00 0.00 C ATOM 748 CG ASP A 47 -16.221 1.538 -24.199 1.00 0.00 C ATOM 749 OD1 ASP A 47 -15.481 1.077 -25.095 1.00 0.00 O ATOM 750 OD2 ASP A 47 -17.009 2.501 -24.320 1.00 0.00 O ATOM 0 H ASP A 47 -14.827 -0.879 -21.618 1.00 0.00 H new ATOM 0 HA ASP A 47 -14.105 1.497 -22.681 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.217 -0.217 -22.970 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.033 1.158 -22.253 1.00 0.00 H new ATOM 755 N GLU A 48 -16.119 1.927 -20.068 1.00 0.00 N ATOM 756 CA GLU A 48 -16.546 2.873 -19.051 1.00 0.00 C ATOM 757 C GLU A 48 -15.331 3.465 -18.333 1.00 0.00 C ATOM 758 O GLU A 48 -15.265 4.673 -18.109 1.00 0.00 O ATOM 759 CB GLU A 48 -17.503 2.214 -18.056 1.00 0.00 C ATOM 760 CG GLU A 48 -18.921 2.766 -18.212 1.00 0.00 C ATOM 761 CD GLU A 48 -19.680 2.712 -16.885 1.00 0.00 C ATOM 762 OE1 GLU A 48 -19.016 2.905 -15.843 1.00 0.00 O ATOM 763 OE2 GLU A 48 -20.907 2.479 -16.941 1.00 0.00 O ATOM 0 H GLU A 48 -16.533 0.998 -19.988 1.00 0.00 H new ATOM 0 HA GLU A 48 -17.085 3.684 -19.541 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -17.510 1.135 -18.212 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -17.151 2.387 -17.039 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -18.877 3.795 -18.568 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -19.458 2.190 -18.966 1.00 0.00 H new ATOM 770 N LEU A 49 -14.399 2.587 -17.992 1.00 0.00 N ATOM 771 CA LEU A 49 -13.190 3.008 -17.304 1.00 0.00 C ATOM 772 C LEU A 49 -12.375 3.918 -18.225 1.00 0.00 C ATOM 773 O LEU A 49 -11.909 4.975 -17.804 1.00 0.00 O ATOM 774 CB LEU A 49 -12.413 1.792 -16.796 1.00 0.00 C ATOM 775 CG LEU A 49 -11.860 1.897 -15.373 1.00 0.00 C ATOM 776 CD1 LEU A 49 -12.890 1.420 -14.348 1.00 0.00 C ATOM 777 CD2 LEU A 49 -10.533 1.147 -15.244 1.00 0.00 C ATOM 0 H LEU A 49 -14.457 1.586 -18.179 1.00 0.00 H new ATOM 0 HA LEU A 49 -13.439 3.592 -16.418 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -13.066 0.921 -16.848 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -11.581 1.607 -17.475 1.00 0.00 H new ATOM 0 HG LEU A 49 -11.658 2.947 -15.162 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -12.472 1.505 -13.345 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -13.787 2.035 -14.420 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -13.146 0.379 -14.547 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -10.162 1.237 -14.223 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.685 0.094 -15.483 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -9.805 1.574 -15.934 1.00 0.00 H new ATOM 789 N PHE A 50 -12.228 3.473 -19.465 1.00 0.00 N ATOM 790 CA PHE A 50 -11.477 4.234 -20.449 1.00 0.00 C ATOM 791 C PHE A 50 -12.048 5.646 -20.602 1.00 0.00 C ATOM 792 O PHE A 50 -11.323 6.630 -20.467 1.00 0.00 O ATOM 793 CB PHE A 50 -11.610 3.496 -21.782 1.00 0.00 C ATOM 794 CG PHE A 50 -10.735 4.067 -22.900 1.00 0.00 C ATOM 795 CD1 PHE A 50 -9.425 4.346 -22.663 1.00 0.00 C ATOM 796 CD2 PHE A 50 -11.268 4.297 -24.130 1.00 0.00 C ATOM 797 CE1 PHE A 50 -8.613 4.876 -23.700 1.00 0.00 C ATOM 798 CE2 PHE A 50 -10.456 4.827 -25.167 1.00 0.00 C ATOM 799 CZ PHE A 50 -9.146 5.106 -24.931 1.00 0.00 C ATOM 0 H PHE A 50 -12.616 2.595 -19.810 1.00 0.00 H new ATOM 0 HA PHE A 50 -10.437 4.323 -20.136 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -11.352 2.448 -21.632 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -12.652 3.526 -22.099 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -9.002 4.164 -21.686 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -12.308 4.077 -24.318 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -7.573 5.097 -23.512 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -10.879 5.009 -26.144 1.00 0.00 H new ATOM 0 HZ PHE A 50 -8.529 5.510 -25.720 1.00 0.00 H new ATOM 809 N GLU A 51 -13.342 5.699 -20.882 1.00 0.00 N ATOM 810 CA GLU A 51 -14.018 6.973 -21.056 1.00 0.00 C ATOM 811 C GLU A 51 -14.018 7.757 -19.742 1.00 0.00 C ATOM 812 O GLU A 51 -13.841 8.974 -19.741 1.00 0.00 O ATOM 813 CB GLU A 51 -15.443 6.771 -21.574 1.00 0.00 C ATOM 814 CG GLU A 51 -15.654 7.507 -22.899 1.00 0.00 C ATOM 815 CD GLU A 51 -17.009 7.151 -23.514 1.00 0.00 C ATOM 816 OE1 GLU A 51 -17.133 6.001 -23.987 1.00 0.00 O ATOM 817 OE2 GLU A 51 -17.890 8.038 -23.498 1.00 0.00 O ATOM 0 H GLU A 51 -13.940 4.880 -20.993 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.474 7.552 -21.802 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.637 5.707 -21.710 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -16.157 7.133 -20.835 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -15.597 8.583 -22.735 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.856 7.248 -23.594 1.00 0.00 H new ATOM 824 N GLU A 52 -14.219 7.027 -18.654 1.00 0.00 N ATOM 825 CA GLU A 52 -14.245 7.639 -17.337 1.00 0.00 C ATOM 826 C GLU A 52 -12.910 8.327 -17.045 1.00 0.00 C ATOM 827 O GLU A 52 -12.879 9.506 -16.696 1.00 0.00 O ATOM 828 CB GLU A 52 -14.576 6.605 -16.259 1.00 0.00 C ATOM 829 CG GLU A 52 -14.560 7.239 -14.867 1.00 0.00 C ATOM 830 CD GLU A 52 -14.949 6.219 -13.794 1.00 0.00 C ATOM 831 OE1 GLU A 52 -16.046 5.637 -13.937 1.00 0.00 O ATOM 832 OE2 GLU A 52 -14.141 6.046 -12.856 1.00 0.00 O ATOM 0 H GLU A 52 -14.365 6.018 -18.658 1.00 0.00 H new ATOM 0 HA GLU A 52 -15.031 8.394 -17.324 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -15.557 6.173 -16.454 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -13.854 5.789 -16.299 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -13.566 7.634 -14.655 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -15.251 8.082 -14.840 1.00 0.00 H new ATOM 839 N LEU A 53 -11.840 7.561 -17.198 1.00 0.00 N ATOM 840 CA LEU A 53 -10.506 8.082 -16.955 1.00 0.00 C ATOM 841 C LEU A 53 -10.289 9.335 -17.806 1.00 0.00 C ATOM 842 O LEU A 53 -9.947 10.394 -17.282 1.00 0.00 O ATOM 843 CB LEU A 53 -9.455 6.993 -17.184 1.00 0.00 C ATOM 844 CG LEU A 53 -9.598 5.732 -16.330 1.00 0.00 C ATOM 845 CD1 LEU A 53 -9.096 4.499 -17.084 1.00 0.00 C ATOM 846 CD2 LEU A 53 -8.900 5.903 -14.979 1.00 0.00 C ATOM 0 H LEU A 53 -11.870 6.583 -17.487 1.00 0.00 H new ATOM 0 HA LEU A 53 -10.399 8.382 -15.913 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.485 6.702 -18.234 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.470 7.422 -17.000 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.657 5.575 -16.127 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.209 3.616 -16.454 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.677 4.370 -17.997 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.044 4.631 -17.338 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.017 4.992 -14.391 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.840 6.098 -15.139 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -9.346 6.741 -14.443 1.00 0.00 H new ATOM 858 N ASP A 54 -10.498 9.172 -19.104 1.00 0.00 N ATOM 859 CA ASP A 54 -10.330 10.277 -20.033 1.00 0.00 C ATOM 860 C ASP A 54 -11.492 11.258 -19.867 1.00 0.00 C ATOM 861 O ASP A 54 -12.594 11.009 -20.354 1.00 0.00 O ATOM 862 CB ASP A 54 -10.330 9.784 -21.481 1.00 0.00 C ATOM 863 CG ASP A 54 -10.045 10.860 -22.531 1.00 0.00 C ATOM 864 OD1 ASP A 54 -9.233 11.757 -22.218 1.00 0.00 O ATOM 865 OD2 ASP A 54 -10.646 10.761 -23.622 1.00 0.00 O ATOM 0 H ASP A 54 -10.782 8.292 -19.534 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.376 10.758 -19.816 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.585 8.995 -21.580 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -11.300 9.336 -21.696 1.00 0.00 H new ATOM 870 N LYS A 55 -11.206 12.353 -19.178 1.00 0.00 N ATOM 871 CA LYS A 55 -12.214 13.373 -18.943 1.00 0.00 C ATOM 872 C LYS A 55 -11.848 14.636 -19.724 1.00 0.00 C ATOM 873 O LYS A 55 -12.712 15.462 -20.016 1.00 0.00 O ATOM 874 CB LYS A 55 -12.396 13.610 -17.442 1.00 0.00 C ATOM 875 CG LYS A 55 -13.873 13.533 -17.050 1.00 0.00 C ATOM 876 CD LYS A 55 -14.072 13.926 -15.584 1.00 0.00 C ATOM 877 CE LYS A 55 -15.559 13.987 -15.231 1.00 0.00 C ATOM 878 NZ LYS A 55 -16.015 12.690 -14.682 1.00 0.00 N ATOM 0 H LYS A 55 -10.291 12.556 -18.775 1.00 0.00 H new ATOM 0 HA LYS A 55 -13.185 13.041 -19.311 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.828 12.867 -16.881 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.995 14.587 -17.173 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -14.458 14.194 -17.690 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -14.244 12.521 -17.213 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -13.571 13.205 -14.939 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -13.610 14.895 -15.398 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -15.734 14.779 -14.502 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -16.140 14.237 -16.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -17.027 12.749 -14.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -15.866 11.942 -15.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -15.473 12.467 -13.823 1.00 0.00 H new ATOM 892 N ASN A 56 -10.567 14.746 -20.042 1.00 0.00 N ATOM 893 CA ASN A 56 -10.076 15.895 -20.785 1.00 0.00 C ATOM 894 C ASN A 56 -10.639 15.856 -22.207 1.00 0.00 C ATOM 895 O ASN A 56 -11.223 16.833 -22.674 1.00 0.00 O ATOM 896 CB ASN A 56 -8.549 15.878 -20.880 1.00 0.00 C ATOM 897 CG ASN A 56 -7.917 15.604 -19.514 1.00 0.00 C ATOM 898 OD1 ASN A 56 -7.270 14.594 -19.291 1.00 0.00 O ATOM 899 ND2 ASN A 56 -8.140 16.559 -18.615 1.00 0.00 N ATOM 0 H ASN A 56 -9.854 14.059 -19.799 1.00 0.00 H new ATOM 0 HA ASN A 56 -10.395 16.796 -20.261 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -8.234 15.114 -21.590 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -8.194 16.835 -21.263 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -7.760 16.471 -17.672 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.691 17.379 -18.868 1.00 0.00 H new ATOM 906 N GLY A 57 -10.444 14.717 -22.855 1.00 0.00 N ATOM 907 CA GLY A 57 -10.925 14.538 -24.215 1.00 0.00 C ATOM 908 C GLY A 57 -9.764 14.526 -25.210 1.00 0.00 C ATOM 909 O GLY A 57 -9.709 15.356 -26.116 1.00 0.00 O ATOM 0 H GLY A 57 -9.960 13.909 -22.464 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -11.481 13.603 -24.288 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -11.617 15.341 -24.468 1.00 0.00 H new ATOM 913 N ASP A 58 -8.864 13.575 -25.009 1.00 0.00 N ATOM 914 CA ASP A 58 -7.706 13.443 -25.877 1.00 0.00 C ATOM 915 C ASP A 58 -7.512 11.970 -26.241 1.00 0.00 C ATOM 916 O ASP A 58 -7.395 11.627 -27.417 1.00 0.00 O ATOM 917 CB ASP A 58 -6.435 13.929 -25.179 1.00 0.00 C ATOM 918 CG ASP A 58 -6.608 15.184 -24.321 1.00 0.00 C ATOM 919 OD1 ASP A 58 -6.963 16.229 -24.908 1.00 0.00 O ATOM 920 OD2 ASP A 58 -6.382 15.070 -23.097 1.00 0.00 O ATOM 0 H ASP A 58 -8.913 12.888 -24.257 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.882 14.048 -26.767 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.055 13.125 -24.548 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.676 14.126 -25.936 1.00 0.00 H new ATOM 925 N GLY A 59 -7.483 11.138 -25.210 1.00 0.00 N ATOM 926 CA GLY A 59 -7.305 9.709 -25.406 1.00 0.00 C ATOM 927 C GLY A 59 -6.132 9.184 -24.576 1.00 0.00 C ATOM 928 O GLY A 59 -5.809 7.998 -24.632 1.00 0.00 O ATOM 0 H GLY A 59 -7.580 11.426 -24.236 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.218 9.183 -25.126 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.130 9.502 -26.462 1.00 0.00 H new ATOM 932 N GLU A 60 -5.527 10.092 -23.825 1.00 0.00 N ATOM 933 CA GLU A 60 -4.397 9.735 -22.984 1.00 0.00 C ATOM 934 C GLU A 60 -4.816 9.716 -21.512 1.00 0.00 C ATOM 935 O GLU A 60 -5.330 10.708 -20.997 1.00 0.00 O ATOM 936 CB GLU A 60 -3.223 10.690 -23.208 1.00 0.00 C ATOM 937 CG GLU A 60 -3.640 12.140 -22.954 1.00 0.00 C ATOM 938 CD GLU A 60 -2.444 13.085 -23.083 1.00 0.00 C ATOM 939 OE1 GLU A 60 -1.757 12.993 -24.123 1.00 0.00 O ATOM 940 OE2 GLU A 60 -2.243 13.878 -22.138 1.00 0.00 O ATOM 0 H GLU A 60 -5.798 11.074 -23.781 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.065 8.734 -23.260 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.400 10.423 -22.545 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.855 10.587 -24.229 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.415 12.429 -23.664 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.072 12.229 -21.957 1.00 0.00 H new ATOM 947 N VAL A 61 -4.580 8.577 -20.877 1.00 0.00 N ATOM 948 CA VAL A 61 -4.927 8.417 -19.475 1.00 0.00 C ATOM 949 C VAL A 61 -3.673 8.608 -18.620 1.00 0.00 C ATOM 950 O VAL A 61 -3.265 7.699 -17.898 1.00 0.00 O ATOM 951 CB VAL A 61 -5.600 7.061 -19.255 1.00 0.00 C ATOM 952 CG1 VAL A 61 -5.752 6.761 -17.762 1.00 0.00 C ATOM 953 CG2 VAL A 61 -6.952 6.998 -19.968 1.00 0.00 C ATOM 0 H VAL A 61 -4.153 7.757 -21.307 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.648 9.176 -19.170 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.958 6.294 -19.687 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.233 5.792 -17.633 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.768 6.743 -17.292 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.363 7.534 -17.296 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.409 6.024 -19.796 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.605 7.779 -19.579 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.806 7.146 -21.038 1.00 0.00 H new ATOM 963 N SER A 62 -3.096 9.796 -18.729 1.00 0.00 N ATOM 964 CA SER A 62 -1.897 10.118 -17.974 1.00 0.00 C ATOM 965 C SER A 62 -2.133 9.865 -16.483 1.00 0.00 C ATOM 966 O SER A 62 -3.272 9.693 -16.052 1.00 0.00 O ATOM 967 CB SER A 62 -1.473 11.570 -18.206 1.00 0.00 C ATOM 968 OG SER A 62 -2.275 12.208 -19.196 1.00 0.00 O ATOM 0 H SER A 62 -3.437 10.547 -19.329 1.00 0.00 H new ATOM 0 HA SER A 62 -1.090 9.473 -18.322 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.545 12.123 -17.269 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.428 11.598 -18.513 1.00 0.00 H new ATOM 0 HG SER A 62 -2.856 12.871 -18.769 1.00 0.00 H new ATOM 974 N PHE A 63 -1.038 9.852 -15.737 1.00 0.00 N ATOM 975 CA PHE A 63 -1.112 9.623 -14.304 1.00 0.00 C ATOM 976 C PHE A 63 -2.168 10.523 -13.659 1.00 0.00 C ATOM 977 O PHE A 63 -2.784 10.147 -12.663 1.00 0.00 O ATOM 978 CB PHE A 63 0.260 9.971 -13.725 1.00 0.00 C ATOM 979 CG PHE A 63 0.484 9.455 -12.302 1.00 0.00 C ATOM 980 CD1 PHE A 63 0.447 8.119 -12.049 1.00 0.00 C ATOM 981 CD2 PHE A 63 0.720 10.332 -11.290 1.00 0.00 C ATOM 982 CE1 PHE A 63 0.654 7.640 -10.729 1.00 0.00 C ATOM 983 CE2 PHE A 63 0.928 9.853 -9.969 1.00 0.00 C ATOM 984 CZ PHE A 63 0.891 8.517 -9.716 1.00 0.00 C ATOM 0 H PHE A 63 -0.095 9.996 -16.098 1.00 0.00 H new ATOM 0 HA PHE A 63 -1.387 8.587 -14.106 1.00 0.00 H new ATOM 0 HB2 PHE A 63 1.032 9.560 -14.375 1.00 0.00 H new ATOM 0 HB3 PHE A 63 0.381 11.054 -13.731 1.00 0.00 H new ATOM 0 HD1 PHE A 63 0.260 7.422 -12.853 1.00 0.00 H new ATOM 0 HD2 PHE A 63 0.749 11.393 -11.491 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.623 6.579 -10.529 1.00 0.00 H new ATOM 0 HE2 PHE A 63 1.116 10.550 -9.165 1.00 0.00 H new ATOM 0 HZ PHE A 63 1.050 8.153 -8.712 1.00 0.00 H new ATOM 994 N GLU A 64 -2.346 11.693 -14.254 1.00 0.00 N ATOM 995 CA GLU A 64 -3.317 12.649 -13.750 1.00 0.00 C ATOM 996 C GLU A 64 -4.686 11.984 -13.595 1.00 0.00 C ATOM 997 O GLU A 64 -5.275 12.012 -12.516 1.00 0.00 O ATOM 998 CB GLU A 64 -3.403 13.875 -14.661 1.00 0.00 C ATOM 999 CG GLU A 64 -3.249 13.479 -16.131 1.00 0.00 C ATOM 1000 CD GLU A 64 -4.374 14.075 -16.980 1.00 0.00 C ATOM 1001 OE1 GLU A 64 -5.469 14.274 -16.412 1.00 0.00 O ATOM 1002 OE2 GLU A 64 -4.112 14.318 -18.178 1.00 0.00 O ATOM 0 H GLU A 64 -1.834 12.001 -15.081 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.987 12.989 -12.768 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.360 14.375 -14.514 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -2.625 14.589 -14.390 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.285 13.823 -16.505 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.257 12.393 -16.221 1.00 0.00 H new ATOM 1009 N GLU A 65 -5.152 11.401 -14.690 1.00 0.00 N ATOM 1010 CA GLU A 65 -6.441 10.730 -14.689 1.00 0.00 C ATOM 1011 C GLU A 65 -6.381 9.467 -13.828 1.00 0.00 C ATOM 1012 O GLU A 65 -7.373 9.085 -13.210 1.00 0.00 O ATOM 1013 CB GLU A 65 -6.888 10.401 -16.115 1.00 0.00 C ATOM 1014 CG GLU A 65 -6.965 11.667 -16.971 1.00 0.00 C ATOM 1015 CD GLU A 65 -7.549 11.360 -18.352 1.00 0.00 C ATOM 1016 OE1 GLU A 65 -7.542 10.165 -18.718 1.00 0.00 O ATOM 1017 OE2 GLU A 65 -7.990 12.328 -19.009 1.00 0.00 O ATOM 0 H GLU A 65 -4.660 11.379 -15.583 1.00 0.00 H new ATOM 0 HA GLU A 65 -7.180 11.405 -14.258 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.190 9.695 -16.565 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -7.863 9.914 -16.091 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.581 12.413 -16.469 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.970 12.097 -17.081 1.00 0.00 H new ATOM 1024 N PHE A 66 -5.207 8.852 -13.816 1.00 0.00 N ATOM 1025 CA PHE A 66 -5.005 7.640 -13.041 1.00 0.00 C ATOM 1026 C PHE A 66 -5.287 7.884 -11.558 1.00 0.00 C ATOM 1027 O PHE A 66 -5.826 7.016 -10.873 1.00 0.00 O ATOM 1028 CB PHE A 66 -3.537 7.241 -13.210 1.00 0.00 C ATOM 1029 CG PHE A 66 -3.208 5.843 -12.684 1.00 0.00 C ATOM 1030 CD1 PHE A 66 -3.784 4.749 -13.252 1.00 0.00 C ATOM 1031 CD2 PHE A 66 -2.340 5.693 -11.648 1.00 0.00 C ATOM 1032 CE1 PHE A 66 -3.479 3.451 -12.763 1.00 0.00 C ATOM 1033 CE2 PHE A 66 -2.035 4.395 -11.159 1.00 0.00 C ATOM 1034 CZ PHE A 66 -2.611 3.302 -11.727 1.00 0.00 C ATOM 0 H PHE A 66 -4.386 9.171 -14.331 1.00 0.00 H new ATOM 0 HA PHE A 66 -5.682 6.859 -13.388 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.277 7.291 -14.267 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.911 7.969 -12.693 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.473 4.868 -14.075 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.882 6.561 -11.197 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.936 2.583 -13.214 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.346 4.276 -10.336 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.379 2.315 -11.355 1.00 0.00 H new ATOM 1044 N GLN A 67 -4.910 9.070 -11.104 1.00 0.00 N ATOM 1045 CA GLN A 67 -5.116 9.440 -9.714 1.00 0.00 C ATOM 1046 C GLN A 67 -6.606 9.407 -9.371 1.00 0.00 C ATOM 1047 O GLN A 67 -6.977 9.402 -8.198 1.00 0.00 O ATOM 1048 CB GLN A 67 -4.515 10.815 -9.417 1.00 0.00 C ATOM 1049 CG GLN A 67 -3.013 10.832 -9.710 1.00 0.00 C ATOM 1050 CD GLN A 67 -2.207 11.052 -8.428 1.00 0.00 C ATOM 1051 OE1 GLN A 67 -2.696 10.894 -7.322 1.00 0.00 O ATOM 1052 NE2 GLN A 67 -0.947 11.423 -8.638 1.00 0.00 N ATOM 0 H GLN A 67 -4.463 9.788 -11.674 1.00 0.00 H new ATOM 0 HA GLN A 67 -4.602 8.713 -9.085 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -5.015 11.573 -10.020 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -4.688 11.074 -8.372 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.718 9.890 -10.172 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.787 11.622 -10.426 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -0.601 11.537 -9.591 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -0.327 11.593 -7.846 1.00 0.00 H new ATOM 1061 N VAL A 68 -7.421 9.386 -10.416 1.00 0.00 N ATOM 1062 CA VAL A 68 -8.863 9.354 -10.240 1.00 0.00 C ATOM 1063 C VAL A 68 -9.295 7.934 -9.868 1.00 0.00 C ATOM 1064 O VAL A 68 -10.199 7.750 -9.053 1.00 0.00 O ATOM 1065 CB VAL A 68 -9.555 9.879 -11.499 1.00 0.00 C ATOM 1066 CG1 VAL A 68 -11.068 9.977 -11.293 1.00 0.00 C ATOM 1067 CG2 VAL A 68 -8.971 11.228 -11.924 1.00 0.00 C ATOM 0 H VAL A 68 -7.110 9.391 -11.387 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.163 10.010 -9.423 1.00 0.00 H new ATOM 0 HB VAL A 68 -9.372 9.166 -12.303 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -11.536 10.353 -12.203 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -11.468 8.990 -11.060 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -11.280 10.658 -10.469 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.481 11.579 -12.821 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.109 11.953 -11.122 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.907 11.115 -12.132 1.00 0.00 H new ATOM 1077 N LEU A 69 -8.631 6.967 -10.482 1.00 0.00 N ATOM 1078 CA LEU A 69 -8.935 5.570 -10.226 1.00 0.00 C ATOM 1079 C LEU A 69 -8.332 5.159 -8.881 1.00 0.00 C ATOM 1080 O LEU A 69 -8.833 4.248 -8.224 1.00 0.00 O ATOM 1081 CB LEU A 69 -8.478 4.698 -11.397 1.00 0.00 C ATOM 1082 CG LEU A 69 -9.338 3.467 -11.693 1.00 0.00 C ATOM 1083 CD1 LEU A 69 -10.723 3.875 -12.200 1.00 0.00 C ATOM 1084 CD2 LEU A 69 -8.627 2.522 -12.663 1.00 0.00 C ATOM 0 H LEU A 69 -7.883 7.123 -11.157 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.012 5.423 -10.151 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.444 5.317 -12.294 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.459 4.366 -11.200 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.485 2.920 -10.761 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.314 2.982 -12.403 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -11.225 4.478 -11.443 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.618 4.457 -13.116 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.260 1.656 -12.856 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.429 3.043 -13.600 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.685 2.193 -12.225 1.00 0.00 H new ATOM 1096 N VAL A 70 -7.264 5.851 -8.512 1.00 0.00 N ATOM 1097 CA VAL A 70 -6.587 5.570 -7.258 1.00 0.00 C ATOM 1098 C VAL A 70 -7.615 5.533 -6.125 1.00 0.00 C ATOM 1099 O VAL A 70 -7.419 4.842 -5.127 1.00 0.00 O ATOM 1100 CB VAL A 70 -5.474 6.594 -7.023 1.00 0.00 C ATOM 1101 CG1 VAL A 70 -5.239 6.815 -5.527 1.00 0.00 C ATOM 1102 CG2 VAL A 70 -4.182 6.171 -7.724 1.00 0.00 C ATOM 0 H VAL A 70 -6.851 6.606 -9.060 1.00 0.00 H new ATOM 0 HA VAL A 70 -6.108 4.592 -7.294 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.795 7.542 -7.456 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.443 7.547 -5.388 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.155 7.183 -5.065 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.951 5.873 -5.061 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.408 6.916 -7.541 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.856 5.206 -7.335 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.360 6.089 -8.796 1.00 0.00 H new ATOM 1112 N LYS A 71 -8.688 6.286 -6.318 1.00 0.00 N ATOM 1113 CA LYS A 71 -9.747 6.349 -5.325 1.00 0.00 C ATOM 1114 C LYS A 71 -10.510 5.023 -5.317 1.00 0.00 C ATOM 1115 O LYS A 71 -10.779 4.464 -4.255 1.00 0.00 O ATOM 1116 CB LYS A 71 -10.636 7.570 -5.567 1.00 0.00 C ATOM 1117 CG LYS A 71 -10.980 8.267 -4.249 1.00 0.00 C ATOM 1118 CD LYS A 71 -12.474 8.586 -4.171 1.00 0.00 C ATOM 1119 CE LYS A 71 -13.211 7.554 -3.315 1.00 0.00 C ATOM 1120 NZ LYS A 71 -14.650 7.526 -3.662 1.00 0.00 N ATOM 0 H LYS A 71 -8.847 6.858 -7.148 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.328 6.482 -4.328 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.127 8.269 -6.230 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.553 7.263 -6.070 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -10.696 7.629 -3.412 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.403 9.187 -4.159 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -12.615 9.581 -3.749 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -12.899 8.602 -5.175 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.775 6.567 -3.468 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.090 7.795 -2.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -15.136 6.821 -3.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -15.066 8.464 -3.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -14.760 7.274 -4.665 1.00 0.00 H new ATOM 1134 N LYS A 72 -10.839 4.558 -6.513 1.00 0.00 N ATOM 1135 CA LYS A 72 -11.566 3.309 -6.657 1.00 0.00 C ATOM 1136 C LYS A 72 -10.608 2.137 -6.432 1.00 0.00 C ATOM 1137 O LYS A 72 -11.042 0.995 -6.291 1.00 0.00 O ATOM 1138 CB LYS A 72 -12.289 3.262 -8.005 1.00 0.00 C ATOM 1139 CG LYS A 72 -13.390 4.322 -8.073 1.00 0.00 C ATOM 1140 CD LYS A 72 -14.555 3.964 -7.148 1.00 0.00 C ATOM 1141 CE LYS A 72 -15.897 4.307 -7.798 1.00 0.00 C ATOM 1142 NZ LYS A 72 -17.010 4.044 -6.859 1.00 0.00 N ATOM 0 H LYS A 72 -10.615 5.025 -7.392 1.00 0.00 H new ATOM 0 HA LYS A 72 -12.346 3.233 -5.900 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -11.574 3.423 -8.811 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -12.722 2.273 -8.156 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -12.983 5.293 -7.791 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -13.750 4.413 -9.098 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -14.523 2.900 -6.912 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.455 4.503 -6.206 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -15.906 5.355 -8.097 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -16.030 3.716 -8.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -17.913 4.282 -7.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -17.010 3.038 -6.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -16.890 4.627 -6.006 1.00 0.00 H new ATOM 1156 N ILE A 73 -9.324 2.461 -6.406 1.00 0.00 N ATOM 1157 CA ILE A 73 -8.301 1.449 -6.201 1.00 0.00 C ATOM 1158 C ILE A 73 -8.292 1.031 -4.729 1.00 0.00 C ATOM 1159 O ILE A 73 -8.348 -0.158 -4.418 1.00 0.00 O ATOM 1160 CB ILE A 73 -6.946 1.948 -6.707 1.00 0.00 C ATOM 1161 CG1 ILE A 73 -6.889 1.925 -8.236 1.00 0.00 C ATOM 1162 CG2 ILE A 73 -5.800 1.152 -6.079 1.00 0.00 C ATOM 1163 CD1 ILE A 73 -5.679 2.706 -8.751 1.00 0.00 C ATOM 0 H ILE A 73 -8.968 3.410 -6.523 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.525 0.556 -6.785 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.826 2.986 -6.396 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.837 0.894 -8.586 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.804 2.354 -8.644 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.848 1.526 -6.455 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -5.831 1.263 -4.995 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.904 0.098 -6.339 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.662 2.674 -9.840 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -5.747 3.742 -8.419 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.765 2.259 -8.361 1.00 0.00 H new ATOM 1175 N SER A 74 -8.221 2.031 -3.863 1.00 0.00 N ATOM 1176 CA SER A 74 -8.204 1.781 -2.432 1.00 0.00 C ATOM 1177 C SER A 74 -9.603 1.388 -1.953 1.00 0.00 C ATOM 1178 O SER A 74 -9.749 0.501 -1.113 1.00 0.00 O ATOM 1179 CB SER A 74 -7.706 3.007 -1.665 1.00 0.00 C ATOM 1180 OG SER A 74 -6.322 2.907 -1.339 1.00 0.00 O ATOM 0 H SER A 74 -8.175 3.016 -4.125 1.00 0.00 H new ATOM 0 HA SER A 74 -7.515 0.959 -2.236 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.874 3.902 -2.264 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.287 3.123 -0.750 1.00 0.00 H new ATOM 0 HG SER A 74 -6.042 3.710 -0.851 1.00 0.00 H new ATOM 1186 N GLN A 75 -10.596 2.066 -2.507 1.00 0.00 N ATOM 1187 CA GLN A 75 -11.978 1.799 -2.147 1.00 0.00 C ATOM 1188 C GLN A 75 -12.418 0.442 -2.699 1.00 0.00 C ATOM 1189 O GLN A 75 -12.528 -0.530 -1.953 1.00 0.00 O ATOM 1190 CB GLN A 75 -12.900 2.916 -2.641 1.00 0.00 C ATOM 1191 CG GLN A 75 -14.008 3.202 -1.626 1.00 0.00 C ATOM 1192 CD GLN A 75 -13.421 3.531 -0.251 1.00 0.00 C ATOM 1193 OE1 GLN A 75 -13.741 2.916 0.752 1.00 0.00 O ATOM 1194 NE2 GLN A 75 -12.546 4.533 -0.263 1.00 0.00 N ATOM 0 H GLN A 75 -10.471 2.801 -3.203 1.00 0.00 H new ATOM 0 HA GLN A 75 -12.049 1.768 -1.060 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -12.319 3.822 -2.815 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -13.342 2.632 -3.596 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -14.618 4.036 -1.974 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -14.666 2.337 -1.547 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -12.323 5.005 -1.139 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -12.098 4.829 0.604 1.00 0.00 H new