USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 615 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 12 THR OG1 : rot 180:sc= 0.331 USER MOD Set 1.2: A 50 GLN : amide:sc= 0.464 X(o=0.79,f=0.75) USER MOD Single : A 1 SER N :NH3+ -136:sc= 0.161 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0823 USER MOD Single : A 6 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00746) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.243 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -1.57 K(o=-1.6,f=-3.8!) USER MOD Single : A 24 LYS NZ :NH3+ 139:sc= 0.853 (180deg=0.0583) USER MOD Single : A 27 HIS : no HD1:sc= -0.0154 X(o=-0.015,f=0) USER MOD Single : A 28 CYS SG : rot 10:sc= 0.0127 USER MOD Single : A 29 LYS NZ :NH3+ -178:sc= 1.2 (180deg=1.19) USER MOD Single : A 30 LYS NZ :NH3+ 164:sc= -0.0164 (180deg=-0.205) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0.121 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0275 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0.776 K(o=0.78,f=0) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 160:sc= 0.0519 (180deg=0.00631) USER MOD Single : A 56 GLN : amide:sc= -0.136 K(o=-0.14,f=-0.77) USER MOD Single : A 57 ASN : amide:sc= -0.08 X(o=-0.08,f=-0.034) USER MOD Single : A 61 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0101) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0156) USER MOD Single : A 69 ASN : amide:sc= -0.079 K(o=-0.079,f=-0.6) USER MOD Single : A 71 SER OG : rot 180:sc= 0.0427 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -18.321 -18.601 -8.900 1.00 0.00 N ATOM 2 CA SER A 1 -18.996 -17.517 -9.624 1.00 0.00 C ATOM 3 C SER A 1 -17.971 -16.768 -10.475 1.00 0.00 C ATOM 4 O SER A 1 -16.765 -16.916 -10.262 1.00 0.00 O ATOM 5 CB SER A 1 -19.717 -16.595 -8.629 1.00 0.00 C ATOM 6 OG SER A 1 -18.881 -16.298 -7.527 1.00 0.00 O ATOM 0 H1 SER A 1 -18.897 -19.465 -8.953 1.00 0.00 H new ATOM 0 H2 SER A 1 -17.390 -18.778 -9.329 1.00 0.00 H new ATOM 0 H3 SER A 1 -18.197 -18.329 -7.904 1.00 0.00 H new ATOM 0 HA SER A 1 -19.755 -17.921 -10.294 1.00 0.00 H new ATOM 0 HB2 SER A 1 -20.011 -15.672 -9.128 1.00 0.00 H new ATOM 0 HB3 SER A 1 -20.632 -17.073 -8.279 1.00 0.00 H new ATOM 0 HG SER A 1 -19.357 -15.709 -6.905 1.00 0.00 H new ATOM 12 N ALA A 2 -18.433 -15.989 -11.453 1.00 0.00 N ATOM 13 CA ALA A 2 -17.625 -15.213 -12.379 1.00 0.00 C ATOM 14 C ALA A 2 -18.105 -13.759 -12.345 1.00 0.00 C ATOM 15 O ALA A 2 -18.996 -13.402 -13.123 1.00 0.00 O ATOM 16 CB ALA A 2 -17.707 -15.823 -13.784 1.00 0.00 C ATOM 0 H ALA A 2 -19.432 -15.880 -11.625 1.00 0.00 H new ATOM 0 HA ALA A 2 -16.575 -15.233 -12.087 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -17.099 -15.236 -14.472 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -17.337 -16.848 -13.758 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -18.743 -15.819 -14.122 1.00 0.00 H new ATOM 22 N PRO A 3 -17.616 -12.928 -11.409 1.00 0.00 N ATOM 23 CA PRO A 3 -17.840 -11.494 -11.478 1.00 0.00 C ATOM 24 C PRO A 3 -17.089 -10.897 -12.673 1.00 0.00 C ATOM 25 O PRO A 3 -16.267 -11.551 -13.330 1.00 0.00 O ATOM 26 CB PRO A 3 -17.369 -10.937 -10.134 1.00 0.00 C ATOM 27 CG PRO A 3 -16.306 -11.935 -9.683 1.00 0.00 C ATOM 28 CD PRO A 3 -16.762 -13.266 -10.280 1.00 0.00 C ATOM 0 HA PRO A 3 -18.887 -11.238 -11.639 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -16.957 -9.933 -10.238 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -18.188 -10.873 -9.418 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -15.317 -11.654 -10.045 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -16.244 -11.987 -8.596 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -15.908 -13.862 -10.602 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -17.305 -13.858 -9.544 1.00 0.00 H new ATOM 36 N GLY A 4 -17.370 -9.630 -12.965 1.00 0.00 N ATOM 37 CA GLY A 4 -16.827 -8.981 -14.135 1.00 0.00 C ATOM 38 C GLY A 4 -16.938 -7.476 -14.033 1.00 0.00 C ATOM 39 O GLY A 4 -17.846 -6.971 -13.369 1.00 0.00 O ATOM 0 H GLY A 4 -17.975 -9.037 -12.398 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.781 -9.263 -14.257 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.356 -9.327 -15.023 1.00 0.00 H new ATOM 43 N GLY A 5 -16.059 -6.783 -14.749 1.00 0.00 N ATOM 44 CA GLY A 5 -15.869 -5.342 -14.748 1.00 0.00 C ATOM 45 C GLY A 5 -14.419 -5.079 -14.360 1.00 0.00 C ATOM 46 O GLY A 5 -13.897 -5.690 -13.420 1.00 0.00 O ATOM 0 H GLY A 5 -15.417 -7.249 -15.390 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -16.086 -4.925 -15.731 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -16.549 -4.865 -14.042 1.00 0.00 H new ATOM 50 N LYS A 6 -13.728 -4.225 -15.113 1.00 0.00 N ATOM 51 CA LYS A 6 -12.285 -4.030 -15.010 1.00 0.00 C ATOM 52 C LYS A 6 -12.012 -2.545 -15.195 1.00 0.00 C ATOM 53 O LYS A 6 -12.614 -1.919 -16.063 1.00 0.00 O ATOM 54 CB LYS A 6 -11.574 -4.855 -16.098 1.00 0.00 C ATOM 55 CG LYS A 6 -11.542 -6.362 -15.791 1.00 0.00 C ATOM 56 CD LYS A 6 -11.062 -7.177 -16.996 1.00 0.00 C ATOM 57 CE LYS A 6 -10.785 -8.656 -16.695 1.00 0.00 C ATOM 58 NZ LYS A 6 -9.632 -8.868 -15.794 1.00 0.00 N ATOM 0 H LYS A 6 -14.164 -3.639 -15.825 1.00 0.00 H new ATOM 0 HA LYS A 6 -11.911 -4.361 -14.041 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -12.076 -4.696 -17.052 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.552 -4.492 -16.211 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.884 -6.546 -14.942 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -12.538 -6.695 -15.500 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.813 -7.114 -17.783 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.152 -6.722 -17.387 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -11.673 -9.100 -16.246 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.605 -9.182 -17.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -9.469 -9.888 -15.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.784 -8.428 -16.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -9.831 -8.437 -14.869 1.00 0.00 H new ATOM 72 N SER A 7 -11.118 -1.987 -14.383 1.00 0.00 N ATOM 73 CA SER A 7 -10.662 -0.613 -14.524 1.00 0.00 C ATOM 74 C SER A 7 -9.171 -0.548 -14.166 1.00 0.00 C ATOM 75 O SER A 7 -8.641 -1.483 -13.556 1.00 0.00 O ATOM 76 CB SER A 7 -11.503 0.309 -13.625 1.00 0.00 C ATOM 77 OG SER A 7 -12.902 0.200 -13.836 1.00 0.00 O ATOM 0 H SER A 7 -10.688 -2.483 -13.602 1.00 0.00 H new ATOM 0 HA SER A 7 -10.787 -0.273 -15.552 1.00 0.00 H new ATOM 0 HB2 SER A 7 -11.284 0.081 -12.582 1.00 0.00 H new ATOM 0 HB3 SER A 7 -11.199 1.342 -13.796 1.00 0.00 H new ATOM 0 HG SER A 7 -13.373 0.811 -13.232 1.00 0.00 H new ATOM 83 N ARG A 8 -8.504 0.564 -14.495 1.00 0.00 N ATOM 84 CA ARG A 8 -7.130 0.913 -14.101 1.00 0.00 C ATOM 85 C ARG A 8 -7.040 2.366 -13.609 1.00 0.00 C ATOM 86 O ARG A 8 -5.958 2.949 -13.533 1.00 0.00 O ATOM 87 CB ARG A 8 -6.160 0.612 -15.265 1.00 0.00 C ATOM 88 CG ARG A 8 -4.683 0.479 -14.837 1.00 0.00 C ATOM 89 CD ARG A 8 -3.756 1.565 -15.409 1.00 0.00 C ATOM 90 NE ARG A 8 -2.353 1.277 -15.058 1.00 0.00 N ATOM 91 CZ ARG A 8 -1.358 2.158 -14.880 1.00 0.00 C ATOM 92 NH1 ARG A 8 -1.534 3.455 -15.097 1.00 0.00 N ATOM 93 NH2 ARG A 8 -0.169 1.761 -14.444 1.00 0.00 N ATOM 0 H ARG A 8 -8.930 1.286 -15.076 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.832 0.294 -13.255 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.470 -0.312 -15.752 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -6.242 1.407 -16.007 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -4.629 0.508 -13.749 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -4.314 -0.498 -15.149 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -3.865 1.612 -16.493 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.043 2.541 -15.017 1.00 0.00 H new ATOM 0 HE ARG A 8 -2.111 0.293 -14.937 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -2.442 3.802 -15.406 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -0.761 4.105 -14.954 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -0.004 0.775 -14.240 1.00 0.00 H new ATOM 0 HH22 ARG A 8 0.579 2.442 -14.313 1.00 0.00 H new ATOM 107 N ARG A 9 -8.182 2.968 -13.291 1.00 0.00 N ATOM 108 CA ARG A 9 -8.338 4.368 -12.910 1.00 0.00 C ATOM 109 C ARG A 9 -7.864 4.637 -11.487 1.00 0.00 C ATOM 110 O ARG A 9 -8.431 4.092 -10.545 1.00 0.00 O ATOM 111 CB ARG A 9 -9.795 4.806 -13.104 1.00 0.00 C ATOM 112 CG ARG A 9 -10.870 3.941 -12.417 1.00 0.00 C ATOM 113 CD ARG A 9 -12.133 3.917 -13.280 1.00 0.00 C ATOM 114 NE ARG A 9 -12.856 5.194 -13.234 1.00 0.00 N ATOM 115 CZ ARG A 9 -13.815 5.523 -12.361 1.00 0.00 C ATOM 116 NH1 ARG A 9 -14.176 4.697 -11.385 1.00 0.00 N ATOM 117 NH2 ARG A 9 -14.401 6.705 -12.476 1.00 0.00 N ATOM 0 H ARG A 9 -9.070 2.466 -13.292 1.00 0.00 H new ATOM 0 HA ARG A 9 -7.701 4.963 -13.564 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -9.895 5.828 -12.740 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -10.006 4.827 -14.173 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -10.497 2.927 -12.271 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -11.099 4.342 -11.430 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -11.863 3.691 -14.311 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -12.790 3.116 -12.939 1.00 0.00 H new ATOM 0 HE ARG A 9 -12.604 5.894 -13.931 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -13.719 3.790 -11.289 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -14.910 4.970 -10.731 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -14.119 7.344 -13.219 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -15.135 6.976 -11.821 1.00 0.00 H new ATOM 131 N ARG A 10 -6.868 5.506 -11.290 1.00 0.00 N ATOM 132 CA ARG A 10 -6.599 6.091 -9.983 1.00 0.00 C ATOM 133 C ARG A 10 -7.793 6.952 -9.570 1.00 0.00 C ATOM 134 O ARG A 10 -7.812 8.134 -9.907 1.00 0.00 O ATOM 135 CB ARG A 10 -5.332 6.961 -10.014 1.00 0.00 C ATOM 136 CG ARG A 10 -3.991 6.255 -10.232 1.00 0.00 C ATOM 137 CD ARG A 10 -2.878 7.257 -9.888 1.00 0.00 C ATOM 138 NE ARG A 10 -1.611 6.954 -10.569 1.00 0.00 N ATOM 139 CZ ARG A 10 -1.102 7.602 -11.627 1.00 0.00 C ATOM 140 NH1 ARG A 10 -1.801 8.521 -12.292 1.00 0.00 N ATOM 141 NH2 ARG A 10 0.133 7.325 -12.023 1.00 0.00 N ATOM 0 H ARG A 10 -6.235 5.818 -12.026 1.00 0.00 H new ATOM 0 HA ARG A 10 -6.442 5.285 -9.266 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.453 7.703 -10.804 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.275 7.505 -9.071 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.917 5.369 -9.601 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.898 5.919 -11.265 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.202 8.261 -10.162 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.715 7.257 -8.810 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.066 6.175 -10.201 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.751 8.749 -12.000 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.386 8.997 -13.093 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.684 6.626 -11.524 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.532 7.811 -12.826 1.00 0.00 H new ATOM 155 N ARG A 11 -8.758 6.389 -8.840 1.00 0.00 N ATOM 156 CA ARG A 11 -9.705 7.139 -8.015 1.00 0.00 C ATOM 157 C ARG A 11 -9.938 6.364 -6.719 1.00 0.00 C ATOM 158 O ARG A 11 -11.042 5.890 -6.446 1.00 0.00 O ATOM 159 CB ARG A 11 -11.019 7.457 -8.756 1.00 0.00 C ATOM 160 CG ARG A 11 -10.900 8.649 -9.722 1.00 0.00 C ATOM 161 CD ARG A 11 -12.273 9.154 -10.185 1.00 0.00 C ATOM 162 NE ARG A 11 -12.162 10.439 -10.898 1.00 0.00 N ATOM 163 CZ ARG A 11 -13.030 10.931 -11.793 1.00 0.00 C ATOM 164 NH1 ARG A 11 -14.200 10.332 -12.021 1.00 0.00 N ATOM 165 NH2 ARG A 11 -12.713 12.023 -12.476 1.00 0.00 N ATOM 0 H ARG A 11 -8.905 5.380 -8.806 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.277 8.113 -7.780 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.335 6.576 -9.314 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.799 7.668 -8.024 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.362 9.460 -9.232 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.311 8.354 -10.590 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.734 8.413 -10.838 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.929 9.270 -9.322 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.343 11.011 -10.690 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -14.447 9.484 -11.510 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.847 10.722 -12.706 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.815 12.481 -12.318 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.367 12.405 -13.159 1.00 0.00 H new ATOM 179 N THR A 12 -8.885 6.207 -5.921 1.00 0.00 N ATOM 180 CA THR A 12 -9.025 5.715 -4.555 1.00 0.00 C ATOM 181 C THR A 12 -9.789 6.753 -3.742 1.00 0.00 C ATOM 182 O THR A 12 -9.486 7.945 -3.848 1.00 0.00 O ATOM 183 CB THR A 12 -7.657 5.483 -3.880 1.00 0.00 C ATOM 184 OG1 THR A 12 -6.700 4.824 -4.697 1.00 0.00 O ATOM 185 CG2 THR A 12 -7.847 4.708 -2.581 1.00 0.00 C ATOM 0 H THR A 12 -7.925 6.414 -6.198 1.00 0.00 H new ATOM 0 HA THR A 12 -9.553 4.762 -4.593 1.00 0.00 H new ATOM 0 HB THR A 12 -7.250 6.475 -3.686 1.00 0.00 H new ATOM 0 HG1 THR A 12 -5.863 4.717 -4.199 1.00 0.00 H new ATOM 0 HG21 THR A 12 -6.878 4.547 -2.108 1.00 0.00 H new ATOM 0 HG22 THR A 12 -8.489 5.277 -1.908 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.310 3.745 -2.796 1.00 0.00 H new ATOM 193 N ALA A 13 -10.709 6.302 -2.896 1.00 0.00 N ATOM 194 CA ALA A 13 -11.325 7.102 -1.860 1.00 0.00 C ATOM 195 C ALA A 13 -11.495 6.203 -0.636 1.00 0.00 C ATOM 196 O ALA A 13 -12.615 5.791 -0.336 1.00 0.00 O ATOM 197 CB ALA A 13 -12.655 7.637 -2.399 1.00 0.00 C ATOM 0 H ALA A 13 -11.052 5.342 -2.918 1.00 0.00 H new ATOM 0 HA ALA A 13 -10.723 7.963 -1.570 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -13.139 8.244 -1.635 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -12.470 8.246 -3.284 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -13.303 6.801 -2.663 1.00 0.00 H new ATOM 203 N PHE A 14 -10.397 5.830 0.028 1.00 0.00 N ATOM 204 CA PHE A 14 -10.478 5.074 1.272 1.00 0.00 C ATOM 205 C PHE A 14 -10.320 6.033 2.456 1.00 0.00 C ATOM 206 O PHE A 14 -9.883 7.179 2.298 1.00 0.00 O ATOM 207 CB PHE A 14 -9.450 3.929 1.306 1.00 0.00 C ATOM 208 CG PHE A 14 -9.426 2.967 0.127 1.00 0.00 C ATOM 209 CD1 PHE A 14 -10.613 2.472 -0.452 1.00 0.00 C ATOM 210 CD2 PHE A 14 -8.187 2.524 -0.369 1.00 0.00 C ATOM 211 CE1 PHE A 14 -10.552 1.571 -1.531 1.00 0.00 C ATOM 212 CE2 PHE A 14 -8.123 1.631 -1.449 1.00 0.00 C ATOM 213 CZ PHE A 14 -9.306 1.137 -2.017 1.00 0.00 C ATOM 0 H PHE A 14 -9.447 6.040 -0.277 1.00 0.00 H new ATOM 0 HA PHE A 14 -11.457 4.600 1.341 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.458 4.371 1.399 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.626 3.347 2.211 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.572 2.786 -0.066 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.273 2.876 0.087 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -11.463 1.212 -1.986 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.165 1.325 -1.842 1.00 0.00 H new ATOM 0 HZ PHE A 14 -9.260 0.424 -2.827 1.00 0.00 H new ATOM 223 N THR A 15 -10.654 5.563 3.652 1.00 0.00 N ATOM 224 CA THR A 15 -10.621 6.321 4.898 1.00 0.00 C ATOM 225 C THR A 15 -9.676 5.612 5.868 1.00 0.00 C ATOM 226 O THR A 15 -9.230 4.489 5.604 1.00 0.00 O ATOM 227 CB THR A 15 -12.047 6.521 5.472 1.00 0.00 C ATOM 228 OG1 THR A 15 -12.415 5.441 6.305 1.00 0.00 O ATOM 229 CG2 THR A 15 -13.149 6.657 4.411 1.00 0.00 C ATOM 0 H THR A 15 -10.969 4.602 3.786 1.00 0.00 H new ATOM 0 HA THR A 15 -10.239 7.326 4.721 1.00 0.00 H new ATOM 0 HB THR A 15 -11.979 7.460 6.022 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.318 5.591 6.656 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.112 6.793 4.902 1.00 0.00 H new ATOM 0 HG22 THR A 15 -12.940 7.519 3.777 1.00 0.00 H new ATOM 0 HG23 THR A 15 -13.178 5.755 3.799 1.00 0.00 H new ATOM 237 N SER A 16 -9.387 6.235 7.010 1.00 0.00 N ATOM 238 CA SER A 16 -8.496 5.660 8.001 1.00 0.00 C ATOM 239 C SER A 16 -9.043 4.321 8.524 1.00 0.00 C ATOM 240 O SER A 16 -8.255 3.419 8.793 1.00 0.00 O ATOM 241 CB SER A 16 -8.255 6.690 9.112 1.00 0.00 C ATOM 242 OG SER A 16 -7.160 6.331 9.934 1.00 0.00 O ATOM 0 H SER A 16 -9.764 7.147 7.268 1.00 0.00 H new ATOM 0 HA SER A 16 -7.532 5.426 7.548 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.070 7.668 8.667 1.00 0.00 H new ATOM 0 HB3 SER A 16 -9.153 6.782 9.723 1.00 0.00 H new ATOM 0 HG SER A 16 -7.036 7.011 10.629 1.00 0.00 H new ATOM 248 N GLU A 17 -10.368 4.158 8.603 1.00 0.00 N ATOM 249 CA GLU A 17 -11.030 2.936 9.066 1.00 0.00 C ATOM 250 C GLU A 17 -10.865 1.779 8.071 1.00 0.00 C ATOM 251 O GLU A 17 -11.061 0.619 8.427 1.00 0.00 O ATOM 252 CB GLU A 17 -12.526 3.256 9.284 1.00 0.00 C ATOM 253 CG GLU A 17 -12.996 3.093 10.739 1.00 0.00 C ATOM 254 CD GLU A 17 -13.379 1.660 11.128 1.00 0.00 C ATOM 255 OE1 GLU A 17 -14.048 0.956 10.339 1.00 0.00 O ATOM 256 OE2 GLU A 17 -13.111 1.254 12.282 1.00 0.00 O ATOM 0 H GLU A 17 -11.026 4.892 8.340 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.567 2.611 9.998 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.718 4.280 8.964 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -13.123 2.605 8.645 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.204 3.437 11.404 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.855 3.743 10.905 1.00 0.00 H new ATOM 263 N GLN A 18 -10.537 2.077 6.817 1.00 0.00 N ATOM 264 CA GLN A 18 -10.382 1.109 5.736 1.00 0.00 C ATOM 265 C GLN A 18 -8.900 0.765 5.593 1.00 0.00 C ATOM 266 O GLN A 18 -8.536 -0.396 5.424 1.00 0.00 O ATOM 267 CB GLN A 18 -10.880 1.780 4.433 1.00 0.00 C ATOM 268 CG GLN A 18 -12.178 2.607 4.535 1.00 0.00 C ATOM 269 CD GLN A 18 -12.994 2.590 3.247 1.00 0.00 C ATOM 270 OE1 GLN A 18 -13.137 3.590 2.556 1.00 0.00 O ATOM 271 NE2 GLN A 18 -13.568 1.456 2.913 1.00 0.00 N ATOM 0 H GLN A 18 -10.365 3.036 6.515 1.00 0.00 H new ATOM 0 HA GLN A 18 -10.947 0.199 5.939 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -10.089 2.432 4.061 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -11.030 1.002 3.685 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -12.788 2.218 5.351 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -11.928 3.637 4.787 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -13.442 0.629 3.497 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -14.140 1.403 2.070 1.00 0.00 H new ATOM 280 N LEU A 19 -8.046 1.789 5.660 1.00 0.00 N ATOM 281 CA LEU A 19 -6.617 1.694 5.414 1.00 0.00 C ATOM 282 C LEU A 19 -5.889 0.880 6.484 1.00 0.00 C ATOM 283 O LEU A 19 -4.736 0.541 6.256 1.00 0.00 O ATOM 284 CB LEU A 19 -6.015 3.113 5.351 1.00 0.00 C ATOM 285 CG LEU A 19 -6.334 3.874 4.049 1.00 0.00 C ATOM 286 CD1 LEU A 19 -6.142 5.380 4.264 1.00 0.00 C ATOM 287 CD2 LEU A 19 -5.447 3.420 2.883 1.00 0.00 C ATOM 0 H LEU A 19 -8.346 2.735 5.895 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.483 1.175 4.465 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.386 3.691 6.197 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.933 3.042 5.462 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.371 3.655 3.793 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.369 5.911 3.340 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.811 5.723 5.054 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.109 5.578 4.552 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.707 3.983 1.987 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.401 3.597 3.132 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.602 2.357 2.701 1.00 0.00 H new ATOM 299 N LEU A 20 -6.501 0.558 7.632 1.00 0.00 N ATOM 300 CA LEU A 20 -5.764 0.017 8.766 1.00 0.00 C ATOM 301 C LEU A 20 -5.252 -1.365 8.384 1.00 0.00 C ATOM 302 O LEU A 20 -4.048 -1.619 8.379 1.00 0.00 O ATOM 303 CB LEU A 20 -6.674 -0.001 10.011 1.00 0.00 C ATOM 304 CG LEU A 20 -6.546 1.298 10.832 1.00 0.00 C ATOM 305 CD1 LEU A 20 -7.779 1.556 11.704 1.00 0.00 C ATOM 306 CD2 LEU A 20 -5.308 1.275 11.735 1.00 0.00 C ATOM 0 H LEU A 20 -7.503 0.665 7.793 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.904 0.637 9.017 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -7.711 -0.135 9.702 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -6.416 -0.854 10.638 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.453 2.102 10.102 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.642 2.482 12.263 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -8.661 1.642 11.070 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.912 0.728 12.400 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.251 2.207 12.298 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.378 0.436 12.427 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.413 1.166 11.123 1.00 0.00 H new ATOM 318 N GLU A 21 -6.178 -2.222 7.967 1.00 0.00 N ATOM 319 CA GLU A 21 -5.920 -3.622 7.673 1.00 0.00 C ATOM 320 C GLU A 21 -5.126 -3.782 6.376 1.00 0.00 C ATOM 321 O GLU A 21 -4.405 -4.765 6.200 1.00 0.00 O ATOM 322 CB GLU A 21 -7.281 -4.309 7.562 1.00 0.00 C ATOM 323 CG GLU A 21 -8.001 -4.404 8.922 1.00 0.00 C ATOM 324 CD GLU A 21 -7.398 -5.489 9.840 1.00 0.00 C ATOM 325 OE1 GLU A 21 -7.048 -6.584 9.330 1.00 0.00 O ATOM 326 OE2 GLU A 21 -7.215 -5.232 11.058 1.00 0.00 O ATOM 0 H GLU A 21 -7.151 -1.953 7.821 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.317 -4.071 8.462 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.907 -3.759 6.860 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.148 -5.311 7.153 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.949 -3.438 9.425 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.056 -4.620 8.756 1.00 0.00 H new ATOM 333 N LEU A 22 -5.276 -2.806 5.483 1.00 0.00 N ATOM 334 CA LEU A 22 -4.695 -2.722 4.154 1.00 0.00 C ATOM 335 C LEU A 22 -3.243 -2.254 4.204 1.00 0.00 C ATOM 336 O LEU A 22 -2.421 -2.671 3.397 1.00 0.00 O ATOM 337 CB LEU A 22 -5.559 -1.706 3.401 1.00 0.00 C ATOM 338 CG LEU A 22 -5.204 -1.474 1.928 1.00 0.00 C ATOM 339 CD1 LEU A 22 -5.088 -2.772 1.123 1.00 0.00 C ATOM 340 CD2 LEU A 22 -6.329 -0.608 1.352 1.00 0.00 C ATOM 0 H LEU A 22 -5.853 -1.991 5.691 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.681 -3.697 3.667 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.597 -2.033 3.456 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -5.497 -0.751 3.923 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.226 -0.998 1.863 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.835 -2.538 0.089 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.308 -3.399 1.554 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.039 -3.304 1.152 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.131 -0.408 0.299 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.279 -1.134 1.449 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.378 0.334 1.897 1.00 0.00 H new ATOM 352 N GLU A 23 -2.914 -1.396 5.162 1.00 0.00 N ATOM 353 CA GLU A 23 -1.532 -1.073 5.484 1.00 0.00 C ATOM 354 C GLU A 23 -0.921 -2.187 6.343 1.00 0.00 C ATOM 355 O GLU A 23 0.304 -2.365 6.354 1.00 0.00 O ATOM 356 CB GLU A 23 -1.468 0.271 6.222 1.00 0.00 C ATOM 357 CG GLU A 23 -1.699 1.470 5.283 1.00 0.00 C ATOM 358 CD GLU A 23 -1.360 2.799 5.966 1.00 0.00 C ATOM 359 OE1 GLU A 23 -2.117 3.235 6.865 1.00 0.00 O ATOM 360 OE2 GLU A 23 -0.306 3.381 5.607 1.00 0.00 O ATOM 0 H GLU A 23 -3.599 -0.905 5.737 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.958 -0.991 4.561 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.217 0.284 7.013 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.495 0.372 6.703 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.087 1.354 4.388 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.739 1.483 4.958 1.00 0.00 H new ATOM 367 N LYS A 24 -1.741 -2.931 7.098 1.00 0.00 N ATOM 368 CA LYS A 24 -1.253 -3.987 7.978 1.00 0.00 C ATOM 369 C LYS A 24 -0.814 -5.208 7.179 1.00 0.00 C ATOM 370 O LYS A 24 0.196 -5.816 7.552 1.00 0.00 O ATOM 371 CB LYS A 24 -2.292 -4.332 9.059 1.00 0.00 C ATOM 372 CG LYS A 24 -1.727 -5.322 10.091 1.00 0.00 C ATOM 373 CD LYS A 24 -2.582 -5.460 11.355 1.00 0.00 C ATOM 374 CE LYS A 24 -3.970 -6.013 11.030 1.00 0.00 C ATOM 375 NZ LYS A 24 -4.782 -6.206 12.243 1.00 0.00 N ATOM 0 H LYS A 24 -2.754 -2.814 7.112 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.369 -3.618 8.498 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.609 -3.420 9.564 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.178 -4.760 8.590 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.628 -6.301 9.623 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.725 -5.002 10.376 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.082 -6.120 12.064 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.680 -4.488 11.838 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.484 -5.330 10.354 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.869 -6.963 10.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.759 -5.901 12.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.777 -7.212 12.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.384 -5.641 13.021 1.00 0.00 H new ATOM 389 N GLU A 25 -1.522 -5.579 6.105 1.00 0.00 N ATOM 390 CA GLU A 25 -1.121 -6.709 5.265 1.00 0.00 C ATOM 391 C GLU A 25 0.311 -6.479 4.771 1.00 0.00 C ATOM 392 O GLU A 25 1.197 -7.307 5.015 1.00 0.00 O ATOM 393 CB GLU A 25 -2.151 -7.000 4.145 1.00 0.00 C ATOM 394 CG GLU A 25 -2.189 -6.059 2.925 1.00 0.00 C ATOM 395 CD GLU A 25 -1.150 -6.301 1.817 1.00 0.00 C ATOM 396 OE1 GLU A 25 -0.315 -7.232 1.921 1.00 0.00 O ATOM 397 OE2 GLU A 25 -1.194 -5.537 0.826 1.00 0.00 O ATOM 0 H GLU A 25 -2.375 -5.111 5.799 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.116 -7.626 5.854 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.968 -8.011 3.780 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.143 -6.999 4.597 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.181 -6.125 2.478 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.069 -5.037 3.283 1.00 0.00 H new ATOM 404 N PHE A 26 0.551 -5.296 4.195 1.00 0.00 N ATOM 405 CA PHE A 26 1.754 -4.959 3.451 1.00 0.00 C ATOM 406 C PHE A 26 2.940 -4.637 4.372 1.00 0.00 C ATOM 407 O PHE A 26 3.928 -4.067 3.903 1.00 0.00 O ATOM 408 CB PHE A 26 1.437 -3.806 2.475 1.00 0.00 C ATOM 409 CG PHE A 26 2.301 -3.768 1.219 1.00 0.00 C ATOM 410 CD1 PHE A 26 2.159 -4.768 0.239 1.00 0.00 C ATOM 411 CD2 PHE A 26 3.234 -2.736 1.010 1.00 0.00 C ATOM 412 CE1 PHE A 26 2.958 -4.761 -0.917 1.00 0.00 C ATOM 413 CE2 PHE A 26 4.033 -2.719 -0.150 1.00 0.00 C ATOM 414 CZ PHE A 26 3.902 -3.738 -1.111 1.00 0.00 C ATOM 0 H PHE A 26 -0.115 -4.525 4.240 1.00 0.00 H new ATOM 0 HA PHE A 26 2.067 -5.830 2.875 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.391 -3.880 2.176 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.551 -2.860 3.005 1.00 0.00 H new ATOM 0 HD1 PHE A 26 1.427 -5.550 0.377 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.338 -1.951 1.744 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.847 -5.541 -1.656 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.747 -1.923 -0.302 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.524 -3.734 -1.994 1.00 0.00 H new ATOM 424 N HIS A 27 2.869 -4.941 5.674 1.00 0.00 N ATOM 425 CA HIS A 27 3.997 -4.863 6.595 1.00 0.00 C ATOM 426 C HIS A 27 4.419 -6.257 7.097 1.00 0.00 C ATOM 427 O HIS A 27 5.427 -6.354 7.795 1.00 0.00 O ATOM 428 CB HIS A 27 3.630 -3.915 7.748 1.00 0.00 C ATOM 429 CG HIS A 27 4.747 -3.012 8.229 1.00 0.00 C ATOM 430 ND1 HIS A 27 4.606 -1.695 8.604 1.00 0.00 N ATOM 431 CD2 HIS A 27 6.076 -3.322 8.351 1.00 0.00 C ATOM 432 CE1 HIS A 27 5.817 -1.223 8.932 1.00 0.00 C ATOM 433 NE2 HIS A 27 6.757 -2.177 8.799 1.00 0.00 N ATOM 0 H HIS A 27 2.007 -5.254 6.120 1.00 0.00 H new ATOM 0 HA HIS A 27 4.865 -4.461 6.072 1.00 0.00 H new ATOM 0 HB2 HIS A 27 2.793 -3.292 7.431 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.281 -4.513 8.590 1.00 0.00 H new ATOM 0 HD2 HIS A 27 6.524 -4.282 8.139 1.00 0.00 H new ATOM 0 HE1 HIS A 27 6.012 -0.212 9.259 1.00 0.00 H new ATOM 0 HE2 HIS A 27 7.756 -2.088 8.985 1.00 0.00 H new ATOM 441 N CYS A 28 3.686 -7.328 6.754 1.00 0.00 N ATOM 442 CA CYS A 28 4.079 -8.702 7.077 1.00 0.00 C ATOM 443 C CYS A 28 4.103 -9.634 5.864 1.00 0.00 C ATOM 444 O CYS A 28 4.477 -10.801 6.011 1.00 0.00 O ATOM 445 CB CYS A 28 3.205 -9.277 8.200 1.00 0.00 C ATOM 446 SG CYS A 28 3.622 -8.501 9.781 1.00 0.00 S ATOM 0 H CYS A 28 2.805 -7.262 6.245 1.00 0.00 H new ATOM 0 HA CYS A 28 5.109 -8.644 7.430 1.00 0.00 H new ATOM 0 HB2 CYS A 28 2.152 -9.111 7.972 1.00 0.00 H new ATOM 0 HB3 CYS A 28 3.350 -10.355 8.267 1.00 0.00 H new ATOM 0 HG CYS A 28 4.422 -7.497 9.574 1.00 0.00 H new ATOM 452 N LYS A 29 3.769 -9.160 4.664 1.00 0.00 N ATOM 453 CA LYS A 29 4.100 -9.852 3.427 1.00 0.00 C ATOM 454 C LYS A 29 4.491 -8.820 2.395 1.00 0.00 C ATOM 455 O LYS A 29 3.759 -7.861 2.147 1.00 0.00 O ATOM 456 CB LYS A 29 2.968 -10.761 2.913 1.00 0.00 C ATOM 457 CG LYS A 29 1.550 -10.213 3.131 1.00 0.00 C ATOM 458 CD LYS A 29 0.502 -10.814 2.191 1.00 0.00 C ATOM 459 CE LYS A 29 0.552 -12.340 2.057 1.00 0.00 C ATOM 460 NZ LYS A 29 0.282 -13.031 3.332 1.00 0.00 N ATOM 0 H LYS A 29 3.262 -8.286 4.526 1.00 0.00 H new ATOM 0 HA LYS A 29 4.934 -10.525 3.625 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.116 -10.933 1.847 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.047 -11.730 3.406 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.252 -10.404 4.162 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.565 -9.131 2.999 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.488 -10.528 2.545 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.627 -10.373 1.202 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.178 -12.660 1.313 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.534 -12.637 1.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.361 -14.059 3.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.972 -12.724 4.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.678 -12.799 3.656 1.00 0.00 H new ATOM 474 N LYS A 30 5.607 -9.084 1.721 1.00 0.00 N ATOM 475 CA LYS A 30 5.980 -8.383 0.501 1.00 0.00 C ATOM 476 C LYS A 30 5.081 -8.787 -0.681 1.00 0.00 C ATOM 477 O LYS A 30 5.183 -8.177 -1.748 1.00 0.00 O ATOM 478 CB LYS A 30 7.466 -8.680 0.200 1.00 0.00 C ATOM 479 CG LYS A 30 8.309 -7.430 -0.085 1.00 0.00 C ATOM 480 CD LYS A 30 7.814 -6.637 -1.301 1.00 0.00 C ATOM 481 CE LYS A 30 8.866 -5.674 -1.855 1.00 0.00 C ATOM 482 NZ LYS A 30 10.011 -6.386 -2.463 1.00 0.00 N ATOM 0 H LYS A 30 6.280 -9.794 2.009 1.00 0.00 H new ATOM 0 HA LYS A 30 5.841 -7.311 0.644 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.898 -9.211 1.048 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.525 -9.349 -0.659 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.298 -6.783 0.792 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.345 -7.727 -0.249 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.518 -7.333 -2.086 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.924 -6.073 -1.022 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.406 -5.026 -2.601 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.226 -5.030 -1.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.555 -5.726 -3.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.623 -6.763 -1.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.660 -7.169 -3.050 1.00 0.00 H new ATOM 496 N TYR A 31 4.271 -9.842 -0.557 1.00 0.00 N ATOM 497 CA TYR A 31 3.636 -10.496 -1.689 1.00 0.00 C ATOM 498 C TYR A 31 2.180 -10.849 -1.386 1.00 0.00 C ATOM 499 O TYR A 31 1.887 -11.843 -0.721 1.00 0.00 O ATOM 500 CB TYR A 31 4.488 -11.695 -2.139 1.00 0.00 C ATOM 501 CG TYR A 31 4.605 -12.891 -1.209 1.00 0.00 C ATOM 502 CD1 TYR A 31 5.444 -12.862 -0.076 1.00 0.00 C ATOM 503 CD2 TYR A 31 3.903 -14.070 -1.523 1.00 0.00 C ATOM 504 CE1 TYR A 31 5.545 -13.992 0.757 1.00 0.00 C ATOM 505 CE2 TYR A 31 4.010 -15.204 -0.706 1.00 0.00 C ATOM 506 CZ TYR A 31 4.819 -15.165 0.446 1.00 0.00 C ATOM 507 OH TYR A 31 4.820 -16.244 1.271 1.00 0.00 O ATOM 0 H TYR A 31 4.040 -10.265 0.342 1.00 0.00 H new ATOM 0 HA TYR A 31 3.589 -9.806 -2.532 1.00 0.00 H new ATOM 0 HB2 TYR A 31 4.085 -12.051 -3.087 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.496 -11.330 -2.338 1.00 0.00 H new ATOM 0 HD1 TYR A 31 6.010 -11.971 0.153 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.276 -14.101 -2.402 1.00 0.00 H new ATOM 0 HE1 TYR A 31 6.176 -13.963 1.633 1.00 0.00 H new ATOM 0 HE2 TYR A 31 3.473 -16.106 -0.960 1.00 0.00 H new ATOM 0 HH TYR A 31 4.262 -16.951 0.885 1.00 0.00 H new ATOM 517 N LEU A 32 1.243 -10.036 -1.881 1.00 0.00 N ATOM 518 CA LEU A 32 -0.171 -10.384 -1.872 1.00 0.00 C ATOM 519 C LEU A 32 -0.403 -11.531 -2.854 1.00 0.00 C ATOM 520 O LEU A 32 -0.242 -11.384 -4.072 1.00 0.00 O ATOM 521 CB LEU A 32 -1.090 -9.187 -2.176 1.00 0.00 C ATOM 522 CG LEU A 32 -1.529 -8.359 -0.951 1.00 0.00 C ATOM 523 CD1 LEU A 32 -2.545 -7.299 -1.379 1.00 0.00 C ATOM 524 CD2 LEU A 32 -2.215 -9.202 0.130 1.00 0.00 C ATOM 0 H LEU A 32 1.446 -9.126 -2.295 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.436 -10.701 -0.863 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.577 -8.526 -2.875 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.982 -9.556 -2.682 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.616 -7.924 -0.544 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.852 -6.717 -0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.092 -6.637 -2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.417 -7.786 -1.816 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.500 -8.562 0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.106 -9.673 -0.286 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.528 -9.972 0.481 1.00 0.00 H new ATOM 536 N SER A 33 -0.772 -12.675 -2.294 1.00 0.00 N ATOM 537 CA SER A 33 -1.155 -13.928 -2.920 1.00 0.00 C ATOM 538 C SER A 33 -1.964 -14.681 -1.842 1.00 0.00 C ATOM 539 O SER A 33 -2.441 -14.036 -0.908 1.00 0.00 O ATOM 540 CB SER A 33 0.126 -14.627 -3.399 1.00 0.00 C ATOM 541 OG SER A 33 -0.163 -15.881 -3.974 1.00 0.00 O ATOM 0 H SER A 33 -0.814 -12.753 -1.278 1.00 0.00 H new ATOM 0 HA SER A 33 -1.779 -13.841 -3.809 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.636 -13.998 -4.129 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.808 -14.758 -2.559 1.00 0.00 H new ATOM 0 HG SER A 33 0.669 -16.304 -4.272 1.00 0.00 H new ATOM 547 N LEU A 34 -2.139 -16.003 -1.937 1.00 0.00 N ATOM 548 CA LEU A 34 -2.787 -16.872 -0.941 1.00 0.00 C ATOM 549 C LEU A 34 -4.179 -16.354 -0.547 1.00 0.00 C ATOM 550 O LEU A 34 -4.536 -16.342 0.626 1.00 0.00 O ATOM 551 CB LEU A 34 -1.903 -17.058 0.313 1.00 0.00 C ATOM 552 CG LEU A 34 -0.485 -17.631 0.170 1.00 0.00 C ATOM 553 CD1 LEU A 34 -0.447 -18.929 -0.641 1.00 0.00 C ATOM 554 CD2 LEU A 34 0.515 -16.632 -0.416 1.00 0.00 C ATOM 0 H LEU A 34 -1.817 -16.526 -2.752 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.915 -17.846 -1.413 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.813 -16.084 0.795 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.447 -17.705 1.001 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.180 -17.853 1.192 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.581 -19.286 -0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.062 -19.683 -0.150 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.833 -18.743 -1.643 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.496 -17.101 -0.490 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.184 -16.325 -1.408 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.578 -15.758 0.232 1.00 0.00 H new ATOM 566 N THR A 35 -4.938 -15.862 -1.524 1.00 0.00 N ATOM 567 CA THR A 35 -6.211 -15.155 -1.394 1.00 0.00 C ATOM 568 C THR A 35 -6.202 -13.973 -0.403 1.00 0.00 C ATOM 569 O THR A 35 -7.247 -13.363 -0.153 1.00 0.00 O ATOM 570 CB THR A 35 -7.376 -16.156 -1.257 1.00 0.00 C ATOM 571 OG1 THR A 35 -8.539 -15.512 -1.720 1.00 0.00 O ATOM 572 CG2 THR A 35 -7.634 -16.730 0.141 1.00 0.00 C ATOM 0 H THR A 35 -4.658 -15.954 -2.501 1.00 0.00 H new ATOM 0 HA THR A 35 -6.387 -14.622 -2.328 1.00 0.00 H new ATOM 0 HB THR A 35 -7.091 -17.028 -1.846 1.00 0.00 H new ATOM 0 HG1 THR A 35 -9.302 -16.123 -1.648 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.478 -17.419 0.101 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.747 -17.262 0.485 1.00 0.00 H new ATOM 0 HG23 THR A 35 -7.861 -15.918 0.832 1.00 0.00 H new ATOM 580 N GLU A 36 -5.035 -13.537 0.087 1.00 0.00 N ATOM 581 CA GLU A 36 -4.924 -12.362 0.934 1.00 0.00 C ATOM 582 C GLU A 36 -5.306 -11.133 0.125 1.00 0.00 C ATOM 583 O GLU A 36 -5.962 -10.222 0.630 1.00 0.00 O ATOM 584 CB GLU A 36 -3.522 -12.216 1.533 1.00 0.00 C ATOM 585 CG GLU A 36 -3.253 -13.287 2.600 1.00 0.00 C ATOM 586 CD GLU A 36 -3.214 -12.697 4.007 1.00 0.00 C ATOM 587 OE1 GLU A 36 -4.225 -12.126 4.480 1.00 0.00 O ATOM 588 OE2 GLU A 36 -2.130 -12.790 4.629 1.00 0.00 O ATOM 0 H GLU A 36 -4.143 -13.996 -0.098 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.607 -12.472 1.776 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.777 -12.294 0.741 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.415 -11.225 1.975 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.028 -14.052 2.549 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.304 -13.780 2.387 1.00 0.00 H new ATOM 595 N ARG A 37 -4.985 -11.149 -1.178 1.00 0.00 N ATOM 596 CA ARG A 37 -5.392 -10.064 -2.066 1.00 0.00 C ATOM 597 C ARG A 37 -6.904 -9.986 -2.249 1.00 0.00 C ATOM 598 O ARG A 37 -7.367 -9.092 -2.953 1.00 0.00 O ATOM 599 CB ARG A 37 -4.711 -10.170 -3.445 1.00 0.00 C ATOM 600 CG ARG A 37 -4.496 -8.783 -4.085 1.00 0.00 C ATOM 601 CD ARG A 37 -4.857 -8.707 -5.570 1.00 0.00 C ATOM 602 NE ARG A 37 -6.140 -8.016 -5.799 1.00 0.00 N ATOM 603 CZ ARG A 37 -7.275 -8.565 -6.243 1.00 0.00 C ATOM 604 NH1 ARG A 37 -7.429 -9.886 -6.261 1.00 0.00 N ATOM 605 NH2 ARG A 37 -8.245 -7.783 -6.703 1.00 0.00 N ATOM 0 H ARG A 37 -4.452 -11.893 -1.629 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.065 -9.147 -1.576 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.750 -10.674 -3.338 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.322 -10.785 -4.106 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.091 -8.050 -3.541 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.451 -8.499 -3.963 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -4.065 -8.186 -6.108 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.911 -9.715 -5.981 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.163 -7.016 -5.598 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.676 -10.492 -5.934 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.300 -10.293 -6.602 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.121 -6.771 -6.716 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.114 -8.195 -7.043 1.00 0.00 H new ATOM 619 N SER A 38 -7.662 -10.903 -1.668 1.00 0.00 N ATOM 620 CA SER A 38 -9.100 -10.978 -1.748 1.00 0.00 C ATOM 621 C SER A 38 -9.683 -10.924 -0.326 1.00 0.00 C ATOM 622 O SER A 38 -10.853 -11.247 -0.148 1.00 0.00 O ATOM 623 CB SER A 38 -9.468 -12.236 -2.554 1.00 0.00 C ATOM 624 OG SER A 38 -8.684 -12.310 -3.746 1.00 0.00 O ATOM 0 H SER A 38 -7.263 -11.651 -1.100 1.00 0.00 H new ATOM 0 HA SER A 38 -9.539 -10.132 -2.277 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.303 -13.126 -1.947 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.528 -12.216 -2.809 1.00 0.00 H new ATOM 0 HG SER A 38 -8.927 -13.116 -4.248 1.00 0.00 H new ATOM 630 N GLN A 39 -8.891 -10.548 0.694 1.00 0.00 N ATOM 631 CA GLN A 39 -9.382 -10.310 2.050 1.00 0.00 C ATOM 632 C GLN A 39 -10.030 -8.937 2.098 1.00 0.00 C ATOM 633 O GLN A 39 -11.231 -8.821 2.314 1.00 0.00 O ATOM 634 CB GLN A 39 -8.284 -10.376 3.106 1.00 0.00 C ATOM 635 CG GLN A 39 -7.637 -11.752 3.155 1.00 0.00 C ATOM 636 CD GLN A 39 -7.958 -12.588 4.380 1.00 0.00 C ATOM 637 OE1 GLN A 39 -9.113 -12.939 4.607 1.00 0.00 O ATOM 638 NE2 GLN A 39 -6.952 -12.986 5.137 1.00 0.00 N ATOM 0 H GLN A 39 -7.887 -10.402 0.593 1.00 0.00 H new ATOM 0 HA GLN A 39 -10.096 -11.101 2.281 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.525 -9.624 2.890 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -8.703 -10.135 4.083 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -7.942 -12.308 2.269 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.556 -11.627 3.097 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.002 -12.679 4.926 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.124 -13.600 5.933 1.00 0.00 H new ATOM 647 N ILE A 40 -9.230 -7.883 1.883 1.00 0.00 N ATOM 648 CA ILE A 40 -9.640 -6.526 2.242 1.00 0.00 C ATOM 649 C ILE A 40 -10.892 -6.123 1.429 1.00 0.00 C ATOM 650 O ILE A 40 -11.800 -5.489 1.968 1.00 0.00 O ATOM 651 CB ILE A 40 -8.440 -5.543 2.116 1.00 0.00 C ATOM 652 CG1 ILE A 40 -7.219 -5.902 3.009 1.00 0.00 C ATOM 653 CG2 ILE A 40 -8.859 -4.132 2.541 1.00 0.00 C ATOM 654 CD1 ILE A 40 -6.160 -6.754 2.298 1.00 0.00 C ATOM 0 H ILE A 40 -8.302 -7.947 1.465 1.00 0.00 H new ATOM 0 HA ILE A 40 -9.937 -6.482 3.290 1.00 0.00 H new ATOM 0 HB ILE A 40 -8.149 -5.609 1.068 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.754 -4.981 3.360 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -7.571 -6.438 3.891 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -8.009 -3.456 2.447 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -9.670 -3.785 1.901 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -9.196 -4.149 3.577 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.340 -6.963 2.985 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -6.608 -7.692 1.971 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -5.779 -6.213 1.432 1.00 0.00 H new ATOM 666 N ALA A 41 -10.990 -6.566 0.167 1.00 0.00 N ATOM 667 CA ALA A 41 -12.140 -6.319 -0.703 1.00 0.00 C ATOM 668 C ALA A 41 -13.425 -7.021 -0.245 1.00 0.00 C ATOM 669 O ALA A 41 -14.499 -6.690 -0.764 1.00 0.00 O ATOM 670 CB ALA A 41 -11.820 -6.748 -2.142 1.00 0.00 C ATOM 0 H ALA A 41 -10.257 -7.115 -0.282 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.326 -5.246 -0.651 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.684 -6.559 -2.779 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.966 -6.179 -2.510 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.582 -7.812 -2.160 1.00 0.00 H new ATOM 676 N HIS A 42 -13.362 -7.980 0.681 1.00 0.00 N ATOM 677 CA HIS A 42 -14.534 -8.694 1.166 1.00 0.00 C ATOM 678 C HIS A 42 -14.855 -8.357 2.624 1.00 0.00 C ATOM 679 O HIS A 42 -15.979 -8.619 3.058 1.00 0.00 O ATOM 680 CB HIS A 42 -14.336 -10.203 0.955 1.00 0.00 C ATOM 681 CG HIS A 42 -15.628 -10.884 0.592 1.00 0.00 C ATOM 682 ND1 HIS A 42 -16.190 -10.919 -0.668 1.00 0.00 N ATOM 683 CD2 HIS A 42 -16.492 -11.499 1.457 1.00 0.00 C ATOM 684 CE1 HIS A 42 -17.384 -11.520 -0.565 1.00 0.00 C ATOM 685 NE2 HIS A 42 -17.598 -11.915 0.702 1.00 0.00 N ATOM 0 H HIS A 42 -12.489 -8.281 1.115 1.00 0.00 H new ATOM 0 HA HIS A 42 -15.400 -8.369 0.589 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -13.603 -10.368 0.166 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -13.932 -10.648 1.864 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -16.349 -11.637 2.519 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -18.075 -11.666 -1.382 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -18.412 -12.422 1.049 1.00 0.00 H new ATOM 693 N ALA A 43 -13.920 -7.744 3.357 1.00 0.00 N ATOM 694 CA ALA A 43 -13.877 -7.790 4.803 1.00 0.00 C ATOM 695 C ALA A 43 -14.232 -6.447 5.412 1.00 0.00 C ATOM 696 O ALA A 43 -14.579 -6.429 6.595 1.00 0.00 O ATOM 697 CB ALA A 43 -12.473 -8.205 5.253 1.00 0.00 C ATOM 0 H ALA A 43 -13.164 -7.196 2.946 1.00 0.00 H new ATOM 0 HA ALA A 43 -14.613 -8.518 5.145 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -12.436 -8.241 6.342 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -12.238 -9.190 4.849 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.745 -7.480 4.889 1.00 0.00 H new ATOM 703 N LEU A 44 -14.174 -5.344 4.645 1.00 0.00 N ATOM 704 CA LEU A 44 -14.586 -4.058 5.177 1.00 0.00 C ATOM 705 C LEU A 44 -15.693 -3.404 4.349 1.00 0.00 C ATOM 706 O LEU A 44 -16.867 -3.545 4.684 1.00 0.00 O ATOM 707 CB LEU A 44 -13.423 -3.079 5.402 1.00 0.00 C ATOM 708 CG LEU A 44 -12.195 -3.440 6.262 1.00 0.00 C ATOM 709 CD1 LEU A 44 -10.892 -3.125 5.520 1.00 0.00 C ATOM 710 CD2 LEU A 44 -12.214 -2.709 7.603 1.00 0.00 C ATOM 0 H LEU A 44 -13.852 -5.327 3.677 1.00 0.00 H new ATOM 0 HA LEU A 44 -14.995 -4.289 6.161 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -13.046 -2.810 4.415 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.854 -2.176 5.835 1.00 0.00 H new ATOM 0 HG LEU A 44 -12.244 -4.512 6.453 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -10.042 -3.389 6.149 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.852 -3.701 4.595 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.854 -2.061 5.287 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.334 -2.988 8.182 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -12.209 -1.633 7.431 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -13.113 -2.984 8.155 1.00 0.00 H new ATOM 722 N LYS A 45 -15.325 -2.667 3.298 1.00 0.00 N ATOM 723 CA LYS A 45 -16.158 -1.819 2.432 1.00 0.00 C ATOM 724 C LYS A 45 -15.282 -1.180 1.345 1.00 0.00 C ATOM 725 O LYS A 45 -15.331 0.029 1.097 1.00 0.00 O ATOM 726 CB LYS A 45 -17.081 -0.848 3.203 1.00 0.00 C ATOM 727 CG LYS A 45 -16.277 0.087 4.088 1.00 0.00 C ATOM 728 CD LYS A 45 -16.372 -0.110 5.610 1.00 0.00 C ATOM 729 CE LYS A 45 -17.789 0.136 6.136 1.00 0.00 C ATOM 730 NZ LYS A 45 -17.873 -0.169 7.576 1.00 0.00 N ATOM 0 H LYS A 45 -14.349 -2.645 3.002 1.00 0.00 H new ATOM 0 HA LYS A 45 -16.885 -2.449 1.920 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -17.672 -0.265 2.496 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -17.783 -1.417 3.813 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.229 -0.001 3.803 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -16.584 1.108 3.862 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.063 -1.124 5.864 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.679 0.569 6.107 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -18.071 1.175 5.963 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -18.498 -0.483 5.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -18.842 0.005 7.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.625 -1.167 7.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -17.211 0.439 8.099 1.00 0.00 H new ATOM 744 N LEU A 46 -14.390 -1.985 0.760 1.00 0.00 N ATOM 745 CA LEU A 46 -13.520 -1.586 -0.351 1.00 0.00 C ATOM 746 C LEU A 46 -13.929 -2.372 -1.607 1.00 0.00 C ATOM 747 O LEU A 46 -14.988 -3.010 -1.632 1.00 0.00 O ATOM 748 CB LEU A 46 -12.023 -1.752 -0.009 1.00 0.00 C ATOM 749 CG LEU A 46 -11.447 -0.875 1.119 1.00 0.00 C ATOM 750 CD1 LEU A 46 -11.829 -1.443 2.484 1.00 0.00 C ATOM 751 CD2 LEU A 46 -9.922 -0.846 1.035 1.00 0.00 C ATOM 0 H LEU A 46 -14.249 -2.952 1.051 1.00 0.00 H new ATOM 0 HA LEU A 46 -13.651 -0.521 -0.544 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.853 -2.795 0.257 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.448 -1.556 -0.914 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.855 0.129 1.003 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.414 -0.812 3.270 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -12.915 -1.470 2.576 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.431 -2.453 2.582 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.525 -0.223 1.837 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.533 -1.859 1.136 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.618 -0.435 0.072 1.00 0.00 H new ATOM 763 N SER A 47 -13.124 -2.314 -2.672 1.00 0.00 N ATOM 764 CA SER A 47 -13.402 -2.902 -3.974 1.00 0.00 C ATOM 765 C SER A 47 -12.154 -3.579 -4.525 1.00 0.00 C ATOM 766 O SER A 47 -11.072 -2.990 -4.517 1.00 0.00 O ATOM 767 CB SER A 47 -13.867 -1.816 -4.939 1.00 0.00 C ATOM 768 OG SER A 47 -15.189 -1.403 -4.660 1.00 0.00 O ATOM 0 H SER A 47 -12.224 -1.834 -2.643 1.00 0.00 H new ATOM 0 HA SER A 47 -14.188 -3.649 -3.863 1.00 0.00 H new ATOM 0 HB2 SER A 47 -13.196 -0.959 -4.874 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.810 -2.189 -5.962 1.00 0.00 H new ATOM 0 HG SER A 47 -15.455 -0.706 -5.295 1.00 0.00 H new ATOM 774 N GLU A 48 -12.318 -4.794 -5.053 1.00 0.00 N ATOM 775 CA GLU A 48 -11.225 -5.622 -5.555 1.00 0.00 C ATOM 776 C GLU A 48 -10.485 -5.001 -6.748 1.00 0.00 C ATOM 777 O GLU A 48 -9.255 -5.071 -6.810 1.00 0.00 O ATOM 778 CB GLU A 48 -11.709 -7.043 -5.873 1.00 0.00 C ATOM 779 CG GLU A 48 -13.003 -7.088 -6.693 1.00 0.00 C ATOM 780 CD GLU A 48 -12.979 -8.255 -7.681 1.00 0.00 C ATOM 781 OE1 GLU A 48 -13.269 -9.392 -7.257 1.00 0.00 O ATOM 782 OE2 GLU A 48 -12.564 -8.036 -8.848 1.00 0.00 O ATOM 0 H GLU A 48 -13.233 -5.236 -5.144 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.493 -5.679 -4.749 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.926 -7.570 -6.419 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.864 -7.582 -4.938 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.859 -7.188 -6.025 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -13.129 -6.150 -7.234 1.00 0.00 H new ATOM 789 N VAL A 49 -11.206 -4.368 -7.682 1.00 0.00 N ATOM 790 CA VAL A 49 -10.606 -3.646 -8.806 1.00 0.00 C ATOM 791 C VAL A 49 -9.688 -2.554 -8.271 1.00 0.00 C ATOM 792 O VAL A 49 -8.567 -2.411 -8.750 1.00 0.00 O ATOM 793 CB VAL A 49 -11.700 -3.060 -9.723 1.00 0.00 C ATOM 794 CG1 VAL A 49 -11.137 -2.105 -10.788 1.00 0.00 C ATOM 795 CG2 VAL A 49 -12.424 -4.187 -10.461 1.00 0.00 C ATOM 0 H VAL A 49 -12.226 -4.343 -7.677 1.00 0.00 H new ATOM 0 HA VAL A 49 -10.015 -4.337 -9.407 1.00 0.00 H new ATOM 0 HB VAL A 49 -12.375 -2.505 -9.072 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -11.952 -1.724 -11.403 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -10.632 -1.272 -10.299 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -10.427 -2.641 -11.418 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -13.194 -3.764 -11.106 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -11.709 -4.743 -11.067 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -12.886 -4.858 -9.737 1.00 0.00 H new ATOM 805 N GLN A 50 -10.149 -1.803 -7.271 1.00 0.00 N ATOM 806 CA GLN A 50 -9.432 -0.661 -6.733 1.00 0.00 C ATOM 807 C GLN A 50 -8.045 -1.088 -6.232 1.00 0.00 C ATOM 808 O GLN A 50 -7.078 -0.356 -6.411 1.00 0.00 O ATOM 809 CB GLN A 50 -10.282 -0.023 -5.618 1.00 0.00 C ATOM 810 CG GLN A 50 -10.465 1.497 -5.728 1.00 0.00 C ATOM 811 CD GLN A 50 -9.163 2.258 -5.944 1.00 0.00 C ATOM 812 OE1 GLN A 50 -8.845 2.678 -7.054 1.00 0.00 O ATOM 813 NE2 GLN A 50 -8.389 2.436 -4.889 1.00 0.00 N ATOM 0 H GLN A 50 -11.042 -1.978 -6.810 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.269 0.084 -7.512 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -11.266 -0.493 -5.618 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -9.821 -0.249 -4.657 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -11.143 1.713 -6.554 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -10.943 1.863 -4.819 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.677 2.077 -3.979 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.503 2.933 -4.984 1.00 0.00 H new ATOM 822 N VAL A 51 -7.907 -2.290 -5.661 1.00 0.00 N ATOM 823 CA VAL A 51 -6.628 -2.806 -5.157 1.00 0.00 C ATOM 824 C VAL A 51 -5.606 -2.914 -6.286 1.00 0.00 C ATOM 825 O VAL A 51 -4.441 -2.557 -6.105 1.00 0.00 O ATOM 826 CB VAL A 51 -6.811 -4.168 -4.458 1.00 0.00 C ATOM 827 CG1 VAL A 51 -5.593 -4.522 -3.593 1.00 0.00 C ATOM 828 CG2 VAL A 51 -8.063 -4.140 -3.582 1.00 0.00 C ATOM 0 H VAL A 51 -8.685 -2.937 -5.534 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.252 -2.098 -4.418 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.916 -4.928 -5.232 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.755 -5.488 -3.115 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.703 -4.573 -4.221 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.455 -3.757 -2.829 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.186 -5.106 -3.092 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -7.962 -3.360 -2.827 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.936 -3.934 -4.201 1.00 0.00 H new ATOM 838 N LYS A 52 -6.049 -3.310 -7.487 1.00 0.00 N ATOM 839 CA LYS A 52 -5.209 -3.394 -8.681 1.00 0.00 C ATOM 840 C LYS A 52 -4.508 -2.059 -8.961 1.00 0.00 C ATOM 841 O LYS A 52 -3.463 -2.056 -9.617 1.00 0.00 O ATOM 842 CB LYS A 52 -6.078 -3.843 -9.873 1.00 0.00 C ATOM 843 CG LYS A 52 -5.261 -4.460 -11.016 1.00 0.00 C ATOM 844 CD LYS A 52 -6.145 -4.959 -12.170 1.00 0.00 C ATOM 845 CE LYS A 52 -6.780 -3.804 -12.958 1.00 0.00 C ATOM 846 NZ LYS A 52 -7.561 -4.289 -14.112 1.00 0.00 N ATOM 0 H LYS A 52 -7.017 -3.584 -7.655 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.422 -4.130 -8.520 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.812 -4.570 -9.526 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.633 -2.986 -10.253 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.557 -3.719 -11.396 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.671 -5.291 -10.629 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.547 -5.571 -12.845 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.931 -5.600 -11.772 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.428 -3.227 -12.298 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.998 -3.129 -13.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.233 -3.553 -14.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.917 -4.510 -14.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.084 -5.146 -13.842 1.00 0.00 H new ATOM 860 N ILE A 53 -5.052 -0.942 -8.465 1.00 0.00 N ATOM 861 CA ILE A 53 -4.546 0.410 -8.642 1.00 0.00 C ATOM 862 C ILE A 53 -3.980 0.966 -7.328 1.00 0.00 C ATOM 863 O ILE A 53 -3.063 1.780 -7.383 1.00 0.00 O ATOM 864 CB ILE A 53 -5.676 1.298 -9.194 1.00 0.00 C ATOM 865 CG1 ILE A 53 -6.300 0.735 -10.498 1.00 0.00 C ATOM 866 CG2 ILE A 53 -5.164 2.722 -9.457 1.00 0.00 C ATOM 867 CD1 ILE A 53 -7.824 0.621 -10.394 1.00 0.00 C ATOM 0 H ILE A 53 -5.901 -0.966 -7.901 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.723 0.399 -9.357 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.454 1.313 -8.430 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.040 1.383 -11.335 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.875 -0.246 -10.710 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.977 3.335 -9.847 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.798 3.155 -8.526 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.354 2.689 -10.185 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -8.224 0.223 -11.327 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -8.084 -0.048 -9.573 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -8.251 1.607 -10.208 1.00 0.00 H new ATOM 879 N TRP A 54 -4.425 0.521 -6.147 1.00 0.00 N ATOM 880 CA TRP A 54 -3.818 0.923 -4.875 1.00 0.00 C ATOM 881 C TRP A 54 -2.316 0.626 -4.904 1.00 0.00 C ATOM 882 O TRP A 54 -1.516 1.478 -4.505 1.00 0.00 O ATOM 883 CB TRP A 54 -4.498 0.230 -3.689 1.00 0.00 C ATOM 884 CG TRP A 54 -4.025 0.691 -2.338 1.00 0.00 C ATOM 885 CD1 TRP A 54 -4.415 1.830 -1.716 1.00 0.00 C ATOM 886 CD2 TRP A 54 -3.060 0.060 -1.434 1.00 0.00 C ATOM 887 NE1 TRP A 54 -3.807 1.919 -0.480 1.00 0.00 N ATOM 888 CE2 TRP A 54 -2.947 0.867 -0.261 1.00 0.00 C ATOM 889 CE3 TRP A 54 -2.265 -1.109 -1.480 1.00 0.00 C ATOM 890 CZ2 TRP A 54 -2.100 0.536 0.806 1.00 0.00 C ATOM 891 CZ3 TRP A 54 -1.418 -1.454 -0.407 1.00 0.00 C ATOM 892 CH2 TRP A 54 -1.343 -0.644 0.740 1.00 0.00 C ATOM 0 H TRP A 54 -5.210 -0.123 -6.047 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.961 1.995 -4.743 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -5.573 0.393 -3.758 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.333 -0.844 -3.770 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -5.099 2.559 -2.126 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.974 2.671 0.188 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.307 -1.747 -2.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -2.031 1.182 1.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.820 -2.351 -0.467 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.707 -0.928 1.565 1.00 0.00 H new ATOM 903 N PHE A 55 -1.942 -0.521 -5.485 1.00 0.00 N ATOM 904 CA PHE A 55 -0.557 -0.915 -5.719 1.00 0.00 C ATOM 905 C PHE A 55 0.244 0.156 -6.453 1.00 0.00 C ATOM 906 O PHE A 55 1.412 0.363 -6.124 1.00 0.00 O ATOM 907 CB PHE A 55 -0.497 -2.191 -6.570 1.00 0.00 C ATOM 908 CG PHE A 55 -0.933 -3.465 -5.887 1.00 0.00 C ATOM 909 CD1 PHE A 55 -0.305 -3.867 -4.696 1.00 0.00 C ATOM 910 CD2 PHE A 55 -1.914 -4.283 -6.476 1.00 0.00 C ATOM 911 CE1 PHE A 55 -0.648 -5.094 -4.101 1.00 0.00 C ATOM 912 CE2 PHE A 55 -2.246 -5.515 -5.891 1.00 0.00 C ATOM 913 CZ PHE A 55 -1.606 -5.925 -4.709 1.00 0.00 C ATOM 0 H PHE A 55 -2.615 -1.214 -5.812 1.00 0.00 H new ATOM 0 HA PHE A 55 -0.123 -1.074 -4.732 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -1.119 -2.044 -7.453 1.00 0.00 H new ATOM 0 HB3 PHE A 55 0.527 -2.322 -6.920 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.441 -3.234 -4.238 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.412 -3.963 -7.379 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.176 -5.398 -3.178 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -2.992 -6.147 -6.349 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.850 -6.880 -4.267 1.00 0.00 H new ATOM 923 N GLN A 56 -0.361 0.801 -7.456 1.00 0.00 N ATOM 924 CA GLN A 56 0.274 1.732 -8.374 1.00 0.00 C ATOM 925 C GLN A 56 0.958 2.849 -7.594 1.00 0.00 C ATOM 926 O GLN A 56 2.122 3.159 -7.854 1.00 0.00 O ATOM 927 CB GLN A 56 -0.814 2.264 -9.316 1.00 0.00 C ATOM 928 CG GLN A 56 -0.311 2.779 -10.665 1.00 0.00 C ATOM 929 CD GLN A 56 -1.499 3.149 -11.546 1.00 0.00 C ATOM 930 OE1 GLN A 56 -1.682 4.304 -11.919 1.00 0.00 O ATOM 931 NE2 GLN A 56 -2.360 2.191 -11.854 1.00 0.00 N ATOM 0 H GLN A 56 -1.354 0.677 -7.653 1.00 0.00 H new ATOM 0 HA GLN A 56 1.050 1.243 -8.963 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -1.538 1.469 -9.495 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.346 3.071 -8.812 1.00 0.00 H new ATOM 0 HG2 GLN A 56 0.330 3.648 -10.518 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.294 2.016 -11.154 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -2.195 1.236 -11.537 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -3.188 2.409 -12.408 1.00 0.00 H new ATOM 940 N ASN A 57 0.236 3.404 -6.614 1.00 0.00 N ATOM 941 CA ASN A 57 0.699 4.500 -5.772 1.00 0.00 C ATOM 942 C ASN A 57 1.859 4.044 -4.904 1.00 0.00 C ATOM 943 O ASN A 57 2.900 4.699 -4.881 1.00 0.00 O ATOM 944 CB ASN A 57 -0.410 5.045 -4.853 1.00 0.00 C ATOM 945 CG ASN A 57 -1.724 5.339 -5.555 1.00 0.00 C ATOM 946 OD1 ASN A 57 -1.928 6.415 -6.106 1.00 0.00 O ATOM 947 ND2 ASN A 57 -2.627 4.373 -5.568 1.00 0.00 N ATOM 0 H ASN A 57 -0.707 3.093 -6.383 1.00 0.00 H new ATOM 0 HA ASN A 57 1.012 5.297 -6.446 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.592 4.323 -4.057 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.054 5.959 -4.378 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.518 4.514 -6.044 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.433 3.487 -5.102 1.00 0.00 H new ATOM 954 N ARG A 58 1.709 2.904 -4.211 1.00 0.00 N ATOM 955 CA ARG A 58 2.752 2.430 -3.306 1.00 0.00 C ATOM 956 C ARG A 58 4.047 2.146 -4.073 1.00 0.00 C ATOM 957 O ARG A 58 5.121 2.108 -3.476 1.00 0.00 O ATOM 958 CB ARG A 58 2.276 1.169 -2.560 1.00 0.00 C ATOM 959 CG ARG A 58 2.793 1.090 -1.113 1.00 0.00 C ATOM 960 CD ARG A 58 1.955 1.895 -0.107 1.00 0.00 C ATOM 961 NE ARG A 58 2.593 1.889 1.221 1.00 0.00 N ATOM 962 CZ ARG A 58 2.367 2.736 2.232 1.00 0.00 C ATOM 963 NH1 ARG A 58 1.347 3.584 2.239 1.00 0.00 N ATOM 964 NH2 ARG A 58 3.219 2.752 3.247 1.00 0.00 N ATOM 0 H ARG A 58 0.885 2.305 -4.263 1.00 0.00 H new ATOM 0 HA ARG A 58 2.957 3.211 -2.574 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.186 1.149 -2.551 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.606 0.285 -3.106 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.813 0.046 -0.801 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.821 1.450 -1.085 1.00 0.00 H new ATOM 0 HD2 ARG A 58 1.842 2.921 -0.458 1.00 0.00 H new ATOM 0 HD3 ARG A 58 0.954 1.470 -0.037 1.00 0.00 H new ATOM 0 HE ARG A 58 3.284 1.158 1.388 1.00 0.00 H new ATOM 0 HH11 ARG A 58 0.698 3.607 1.453 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.212 4.213 3.031 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.025 2.128 3.246 1.00 0.00 H new ATOM 0 HH22 ARG A 58 3.068 3.389 4.029 1.00 0.00 H new ATOM 978 N ARG A 59 3.970 1.934 -5.392 1.00 0.00 N ATOM 979 CA ARG A 59 5.112 1.491 -6.178 1.00 0.00 C ATOM 980 C ARG A 59 6.046 2.649 -6.532 1.00 0.00 C ATOM 981 O ARG A 59 7.041 2.391 -7.199 1.00 0.00 O ATOM 982 CB ARG A 59 4.652 0.734 -7.442 1.00 0.00 C ATOM 983 CG ARG A 59 5.651 -0.388 -7.773 1.00 0.00 C ATOM 984 CD ARG A 59 5.512 -0.909 -9.207 1.00 0.00 C ATOM 985 NE ARG A 59 4.456 -1.923 -9.348 1.00 0.00 N ATOM 986 CZ ARG A 59 4.087 -2.483 -10.505 1.00 0.00 C ATOM 987 NH1 ARG A 59 4.481 -1.972 -11.662 1.00 0.00 N ATOM 988 NH2 ARG A 59 3.310 -3.556 -10.510 1.00 0.00 N ATOM 0 H ARG A 59 3.117 2.066 -5.936 1.00 0.00 H new ATOM 0 HA ARG A 59 5.684 0.799 -5.560 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.659 0.313 -7.283 1.00 0.00 H new ATOM 0 HB3 ARG A 59 4.575 1.424 -8.282 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.666 -0.019 -7.623 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.505 -1.214 -7.077 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.297 -0.073 -9.873 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.463 -1.335 -9.527 1.00 0.00 H new ATOM 0 HE ARG A 59 3.970 -2.221 -8.502 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.073 -1.142 -11.678 1.00 0.00 H new ATOM 0 HH12 ARG A 59 4.192 -2.409 -12.537 1.00 0.00 H new ATOM 0 HH21 ARG A 59 2.991 -3.958 -9.629 1.00 0.00 H new ATOM 0 HH22 ARG A 59 3.031 -3.980 -11.395 1.00 0.00 H new ATOM 1002 N ALA A 60 5.751 3.897 -6.149 1.00 0.00 N ATOM 1003 CA ALA A 60 6.624 5.026 -6.448 1.00 0.00 C ATOM 1004 C ALA A 60 7.730 5.113 -5.401 1.00 0.00 C ATOM 1005 O ALA A 60 8.898 5.021 -5.753 1.00 0.00 O ATOM 1006 CB ALA A 60 5.804 6.323 -6.502 1.00 0.00 C ATOM 0 H ALA A 60 4.909 4.146 -5.629 1.00 0.00 H new ATOM 0 HA ALA A 60 7.088 4.881 -7.423 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.464 7.161 -6.726 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.045 6.241 -7.280 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.321 6.488 -5.539 1.00 0.00 H new ATOM 1012 N LYS A 61 7.367 5.255 -4.121 1.00 0.00 N ATOM 1013 CA LYS A 61 8.224 5.802 -3.061 1.00 0.00 C ATOM 1014 C LYS A 61 9.652 5.253 -3.079 1.00 0.00 C ATOM 1015 O LYS A 61 10.591 5.931 -3.491 1.00 0.00 O ATOM 1016 CB LYS A 61 7.487 5.655 -1.717 1.00 0.00 C ATOM 1017 CG LYS A 61 8.136 6.392 -0.530 1.00 0.00 C ATOM 1018 CD LYS A 61 8.912 5.507 0.457 1.00 0.00 C ATOM 1019 CE LYS A 61 9.436 6.319 1.653 1.00 0.00 C ATOM 1020 NZ LYS A 61 8.376 6.765 2.586 1.00 0.00 N ATOM 0 H LYS A 61 6.443 4.985 -3.784 1.00 0.00 H new ATOM 0 HA LYS A 61 8.389 6.864 -3.240 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.467 6.021 -1.838 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.418 4.595 -1.472 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.815 7.149 -0.923 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.355 6.918 0.019 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.265 4.706 0.815 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.749 5.034 -0.057 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.158 5.714 2.201 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.970 7.193 1.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.810 7.246 3.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.736 7.422 2.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.837 5.940 2.919 1.00 0.00 H new ATOM 1034 N TRP A 62 9.840 3.996 -2.678 1.00 0.00 N ATOM 1035 CA TRP A 62 11.185 3.423 -2.633 1.00 0.00 C ATOM 1036 C TRP A 62 11.781 3.271 -4.035 1.00 0.00 C ATOM 1037 O TRP A 62 12.995 3.253 -4.176 1.00 0.00 O ATOM 1038 CB TRP A 62 11.174 2.070 -1.912 1.00 0.00 C ATOM 1039 CG TRP A 62 10.341 2.032 -0.670 1.00 0.00 C ATOM 1040 CD1 TRP A 62 10.731 2.400 0.570 1.00 0.00 C ATOM 1041 CD2 TRP A 62 8.948 1.638 -0.548 1.00 0.00 C ATOM 1042 NE1 TRP A 62 9.672 2.268 1.448 1.00 0.00 N ATOM 1043 CE2 TRP A 62 8.543 1.799 0.810 1.00 0.00 C ATOM 1044 CE3 TRP A 62 7.987 1.167 -1.465 1.00 0.00 C ATOM 1045 CZ2 TRP A 62 7.238 1.502 1.233 1.00 0.00 C ATOM 1046 CZ3 TRP A 62 6.687 0.849 -1.048 1.00 0.00 C ATOM 1047 CH2 TRP A 62 6.310 1.026 0.291 1.00 0.00 C ATOM 0 H TRP A 62 9.094 3.365 -2.385 1.00 0.00 H new ATOM 0 HA TRP A 62 11.815 4.115 -2.074 1.00 0.00 H new ATOM 0 HB2 TRP A 62 10.809 1.309 -2.602 1.00 0.00 H new ATOM 0 HB3 TRP A 62 12.199 1.802 -1.655 1.00 0.00 H new ATOM 0 HD1 TRP A 62 11.720 2.745 0.835 1.00 0.00 H new ATOM 0 HE1 TRP A 62 9.719 2.490 2.443 1.00 0.00 H new ATOM 0 HE3 TRP A 62 8.256 1.049 -2.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 6.952 1.637 2.266 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 5.972 0.466 -1.761 1.00 0.00 H new ATOM 0 HH2 TRP A 62 5.301 0.795 0.600 1.00 0.00 H new ATOM 1058 N LYS A 63 10.965 3.152 -5.086 1.00 0.00 N ATOM 1059 CA LYS A 63 11.449 2.975 -6.452 1.00 0.00 C ATOM 1060 C LYS A 63 12.035 4.264 -7.017 1.00 0.00 C ATOM 1061 O LYS A 63 12.941 4.152 -7.831 1.00 0.00 O ATOM 1062 CB LYS A 63 10.309 2.469 -7.345 1.00 0.00 C ATOM 1063 CG LYS A 63 10.275 0.937 -7.472 1.00 0.00 C ATOM 1064 CD LYS A 63 9.859 0.236 -6.169 1.00 0.00 C ATOM 1065 CE LYS A 63 9.622 -1.260 -6.407 1.00 0.00 C ATOM 1066 NZ LYS A 63 10.856 -2.074 -6.393 1.00 0.00 N ATOM 0 H LYS A 63 9.948 3.176 -5.010 1.00 0.00 H new ATOM 0 HA LYS A 63 12.250 2.236 -6.432 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.358 2.815 -6.940 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.411 2.907 -8.338 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.581 0.659 -8.265 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.261 0.581 -7.771 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.634 0.370 -5.415 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.951 0.695 -5.778 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.942 -1.636 -5.642 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.124 -1.390 -7.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.616 -3.072 -6.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.499 -1.743 -7.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.323 -1.981 -5.468 1.00 0.00 H new ATOM 1080 N ARG A 64 11.599 5.460 -6.592 1.00 0.00 N ATOM 1081 CA ARG A 64 12.300 6.693 -6.962 1.00 0.00 C ATOM 1082 C ARG A 64 13.742 6.628 -6.482 1.00 0.00 C ATOM 1083 O ARG A 64 14.646 7.048 -7.192 1.00 0.00 O ATOM 1084 CB ARG A 64 11.625 7.949 -6.397 1.00 0.00 C ATOM 1085 CG ARG A 64 10.673 8.639 -7.386 1.00 0.00 C ATOM 1086 CD ARG A 64 10.490 10.113 -6.993 1.00 0.00 C ATOM 1087 NE ARG A 64 9.682 10.863 -7.968 1.00 0.00 N ATOM 1088 CZ ARG A 64 10.085 11.365 -9.142 1.00 0.00 C ATOM 1089 NH1 ARG A 64 11.332 11.218 -9.570 1.00 0.00 N ATOM 1090 NH2 ARG A 64 9.225 12.022 -9.904 1.00 0.00 N ATOM 0 H ARG A 64 10.778 5.596 -6.002 1.00 0.00 H new ATOM 0 HA ARG A 64 12.266 6.768 -8.049 1.00 0.00 H new ATOM 0 HB2 ARG A 64 11.068 7.679 -5.500 1.00 0.00 H new ATOM 0 HB3 ARG A 64 12.395 8.658 -6.093 1.00 0.00 H new ATOM 0 HG2 ARG A 64 11.073 8.570 -8.398 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.708 8.132 -7.390 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.014 10.168 -6.014 1.00 0.00 H new ATOM 0 HD3 ARG A 64 11.468 10.584 -6.899 1.00 0.00 H new ATOM 0 HE ARG A 64 8.704 11.018 -7.721 1.00 0.00 H new ATOM 0 HH11 ARG A 64 12.010 10.712 -9.000 1.00 0.00 H new ATOM 0 HH12 ARG A 64 11.612 11.611 -10.469 1.00 0.00 H new ATOM 0 HH21 ARG A 64 8.260 12.144 -9.596 1.00 0.00 H new ATOM 0 HH22 ARG A 64 9.527 12.406 -10.799 1.00 0.00 H new ATOM 1104 N ILE A 65 13.952 6.154 -5.259 1.00 0.00 N ATOM 1105 CA ILE A 65 15.270 6.028 -4.665 1.00 0.00 C ATOM 1106 C ILE A 65 16.037 4.932 -5.412 1.00 0.00 C ATOM 1107 O ILE A 65 17.082 5.197 -5.999 1.00 0.00 O ATOM 1108 CB ILE A 65 15.089 5.793 -3.150 1.00 0.00 C ATOM 1109 CG1 ILE A 65 14.571 7.100 -2.515 1.00 0.00 C ATOM 1110 CG2 ILE A 65 16.391 5.338 -2.492 1.00 0.00 C ATOM 1111 CD1 ILE A 65 14.161 6.959 -1.051 1.00 0.00 C ATOM 0 H ILE A 65 13.198 5.843 -4.647 1.00 0.00 H new ATOM 0 HA ILE A 65 15.876 6.929 -4.762 1.00 0.00 H new ATOM 0 HB ILE A 65 14.366 4.993 -2.991 1.00 0.00 H new ATOM 0 HG12 ILE A 65 15.347 7.862 -2.593 1.00 0.00 H new ATOM 0 HG13 ILE A 65 13.715 7.456 -3.089 1.00 0.00 H new ATOM 0 HG21 ILE A 65 16.225 5.183 -1.426 1.00 0.00 H new ATOM 0 HG22 ILE A 65 16.722 4.405 -2.948 1.00 0.00 H new ATOM 0 HG23 ILE A 65 17.156 6.102 -2.632 1.00 0.00 H new ATOM 0 HD11 ILE A 65 13.808 7.920 -0.678 1.00 0.00 H new ATOM 0 HD12 ILE A 65 13.363 6.222 -0.966 1.00 0.00 H new ATOM 0 HD13 ILE A 65 15.019 6.634 -0.463 1.00 0.00 H new ATOM 1123 N LYS A 66 15.492 3.715 -5.434 1.00 0.00 N ATOM 1124 CA LYS A 66 16.053 2.497 -6.025 1.00 0.00 C ATOM 1125 C LYS A 66 16.001 2.520 -7.569 1.00 0.00 C ATOM 1126 O LYS A 66 15.938 1.457 -8.196 1.00 0.00 O ATOM 1127 CB LYS A 66 15.288 1.305 -5.391 1.00 0.00 C ATOM 1128 CG LYS A 66 16.142 0.105 -4.965 1.00 0.00 C ATOM 1129 CD LYS A 66 16.604 -0.760 -6.136 1.00 0.00 C ATOM 1130 CE LYS A 66 17.329 -2.025 -5.669 1.00 0.00 C ATOM 1131 NZ LYS A 66 16.462 -3.014 -5.003 1.00 0.00 N ATOM 0 H LYS A 66 14.581 3.541 -5.009 1.00 0.00 H new ATOM 0 HA LYS A 66 17.117 2.406 -5.806 1.00 0.00 H new ATOM 0 HB2 LYS A 66 14.748 1.670 -4.517 1.00 0.00 H new ATOM 0 HB3 LYS A 66 14.541 0.958 -6.105 1.00 0.00 H new ATOM 0 HG2 LYS A 66 17.016 0.465 -4.423 1.00 0.00 H new ATOM 0 HG3 LYS A 66 15.569 -0.511 -4.272 1.00 0.00 H new ATOM 0 HD2 LYS A 66 15.742 -1.040 -6.741 1.00 0.00 H new ATOM 0 HD3 LYS A 66 17.267 -0.178 -6.776 1.00 0.00 H new ATOM 0 HE2 LYS A 66 17.802 -2.497 -6.530 1.00 0.00 H new ATOM 0 HE3 LYS A 66 18.127 -1.740 -4.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 17.015 -3.866 -4.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 16.083 -2.607 -4.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 15.676 -3.268 -5.635 1.00 0.00 H new ATOM 1145 N ALA A 67 15.934 3.701 -8.192 1.00 0.00 N ATOM 1146 CA ALA A 67 15.826 3.890 -9.629 1.00 0.00 C ATOM 1147 C ALA A 67 17.191 3.644 -10.270 1.00 0.00 C ATOM 1148 O ALA A 67 17.969 4.580 -10.459 1.00 0.00 O ATOM 1149 CB ALA A 67 15.305 5.300 -9.945 1.00 0.00 C ATOM 0 H ALA A 67 15.955 4.584 -7.681 1.00 0.00 H new ATOM 0 HA ALA A 67 15.112 3.178 -10.042 1.00 0.00 H new ATOM 0 HB1 ALA A 67 15.230 5.426 -11.025 1.00 0.00 H new ATOM 0 HB2 ALA A 67 14.322 5.434 -9.494 1.00 0.00 H new ATOM 0 HB3 ALA A 67 15.994 6.042 -9.540 1.00 0.00 H new ATOM 1155 N GLY A 68 17.462 2.391 -10.621 1.00 0.00 N ATOM 1156 CA GLY A 68 18.658 1.996 -11.343 1.00 0.00 C ATOM 1157 C GLY A 68 19.574 1.157 -10.470 1.00 0.00 C ATOM 1158 O GLY A 68 19.114 0.158 -9.910 1.00 0.00 O ATOM 0 H GLY A 68 16.842 1.610 -10.406 1.00 0.00 H new ATOM 0 HA2 GLY A 68 18.379 1.430 -12.232 1.00 0.00 H new ATOM 0 HA3 GLY A 68 19.190 2.884 -11.685 1.00 0.00 H new ATOM 1162 N ASN A 69 20.852 1.529 -10.381 1.00 0.00 N ATOM 1163 CA ASN A 69 21.814 0.873 -9.497 1.00 0.00 C ATOM 1164 C ASN A 69 21.419 1.010 -8.021 1.00 0.00 C ATOM 1165 O ASN A 69 20.411 1.625 -7.666 1.00 0.00 O ATOM 1166 CB ASN A 69 23.254 1.383 -9.727 1.00 0.00 C ATOM 1167 CG ASN A 69 23.617 2.663 -8.971 1.00 0.00 C ATOM 1168 OD1 ASN A 69 22.785 3.539 -8.754 1.00 0.00 O ATOM 1169 ND2 ASN A 69 24.857 2.818 -8.540 1.00 0.00 N ATOM 0 H ASN A 69 21.249 2.297 -10.922 1.00 0.00 H new ATOM 0 HA ASN A 69 21.794 -0.187 -9.752 1.00 0.00 H new ATOM 0 HB2 ASN A 69 23.952 0.598 -9.437 1.00 0.00 H new ATOM 0 HB3 ASN A 69 23.395 1.557 -10.794 1.00 0.00 H new ATOM 0 HD21 ASN A 69 25.118 3.662 -8.030 1.00 0.00 H new ATOM 0 HD22 ASN A 69 25.553 2.094 -8.717 1.00 0.00 H new ATOM 1176 N VAL A 70 22.254 0.449 -7.150 1.00 0.00 N ATOM 1177 CA VAL A 70 22.155 0.601 -5.709 1.00 0.00 C ATOM 1178 C VAL A 70 23.479 1.136 -5.180 1.00 0.00 C ATOM 1179 O VAL A 70 24.486 1.103 -5.895 1.00 0.00 O ATOM 1180 CB VAL A 70 21.744 -0.733 -5.062 1.00 0.00 C ATOM 1181 CG1 VAL A 70 20.366 -1.158 -5.565 1.00 0.00 C ATOM 1182 CG2 VAL A 70 22.733 -1.881 -5.305 1.00 0.00 C ATOM 0 H VAL A 70 23.037 -0.138 -7.439 1.00 0.00 H new ATOM 0 HA VAL A 70 21.378 1.320 -5.449 1.00 0.00 H new ATOM 0 HB VAL A 70 21.733 -0.545 -3.988 1.00 0.00 H new ATOM 0 HG11 VAL A 70 20.085 -2.103 -5.101 1.00 0.00 H new ATOM 0 HG12 VAL A 70 19.633 -0.394 -5.306 1.00 0.00 H new ATOM 0 HG13 VAL A 70 20.396 -1.280 -6.648 1.00 0.00 H new ATOM 0 HG21 VAL A 70 22.369 -2.784 -4.816 1.00 0.00 H new ATOM 0 HG22 VAL A 70 22.826 -2.061 -6.376 1.00 0.00 H new ATOM 0 HG23 VAL A 70 23.708 -1.614 -4.896 1.00 0.00 H new ATOM 1192 N SER A 71 23.470 1.616 -3.938 1.00 0.00 N ATOM 1193 CA SER A 71 24.603 2.237 -3.275 1.00 0.00 C ATOM 1194 C SER A 71 25.790 1.297 -3.307 1.00 0.00 C ATOM 1195 O SER A 71 25.642 0.161 -2.799 1.00 0.00 O ATOM 1196 CB SER A 71 24.222 2.573 -1.835 1.00 0.00 C ATOM 1197 OG SER A 71 22.909 3.104 -1.754 1.00 0.00 O ATOM 0 H SER A 71 22.639 1.579 -3.348 1.00 0.00 H new ATOM 0 HA SER A 71 24.876 3.157 -3.792 1.00 0.00 H new ATOM 0 HB2 SER A 71 24.291 1.675 -1.221 1.00 0.00 H new ATOM 0 HB3 SER A 71 24.932 3.293 -1.428 1.00 0.00 H new ATOM 0 HG SER A 71 22.695 3.307 -0.819 1.00 0.00 H new TER 1203 SER A 71