USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 627 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 31 THR OG1 : rot -71:sc= 0.108 USER MOD Set 1.2: A 32 ASN : amide:sc= -2.11! K(o=-2!,f=-0.46) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -108:sc= -0.0568 (180deg=-0.588) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot -49:sc= -1.92! USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -149:sc= -0.219 (180deg=-1.36!) USER MOD Single : A 30 SER OG : rot -36:sc= 0.163 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -123:sc= -0.188 (180deg=-2.97!) USER MOD Single : A 47 MET CE :methyl -149:sc= -2.7! (180deg=-5.46!) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 50 ASN : amide:sc= 0.838 K(o=0.84,f=-0.0031) USER MOD Single : A 52 ASN : amide:sc= -1.28 K(o=-1.3,f=-3.3!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 59 TYR OH : rot 12:sc= 0.0154 USER MOD Single : A 61 THR OG1 : rot 74:sc= 0.74 USER MOD Single : A 62 LYS NZ :NH3+ -111:sc= -0.0836 (180deg=-1.59) USER MOD Single : A 65 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0479) USER MOD Single : A 67 LYS NZ :NH3+ 132:sc= -0.16 (180deg=-1.15) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= -0.43 USER MOD Single : A 72 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0728) USER MOD Single : A 77 TYR OH : rot -122:sc= 1.16 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.513 1.168 17.336 1.00 0.00 N ATOM 2 CA GLY A 1 19.948 1.111 18.672 1.00 0.00 C ATOM 3 C GLY A 1 19.004 -0.060 18.853 1.00 0.00 C ATOM 4 O GLY A 1 19.159 -0.853 19.782 1.00 0.00 O ATOM 0 H1 GLY A 1 21.151 1.986 17.264 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.046 0.295 17.147 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.747 1.264 16.639 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.755 1.039 19.401 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.414 2.039 18.877 1.00 0.00 H new ATOM 8 N SER A 2 18.021 -0.169 17.965 1.00 0.00 N ATOM 9 CA SER A 2 17.044 -1.249 18.035 1.00 0.00 C ATOM 10 C SER A 2 17.738 -2.603 18.147 1.00 0.00 C ATOM 11 O SER A 2 18.754 -2.848 17.496 1.00 0.00 O ATOM 12 CB SER A 2 16.139 -1.227 16.801 1.00 0.00 C ATOM 13 OG SER A 2 14.960 -1.983 17.020 1.00 0.00 O ATOM 0 H SER A 2 17.880 0.477 17.189 1.00 0.00 H new ATOM 0 HA SER A 2 16.435 -1.098 18.926 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.875 -0.198 16.558 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.678 -1.629 15.943 1.00 0.00 H new ATOM 0 HG SER A 2 14.398 -1.952 16.218 1.00 0.00 H new ATOM 19 N SER A 3 17.181 -3.480 18.977 1.00 0.00 N ATOM 20 CA SER A 3 17.748 -4.808 19.178 1.00 0.00 C ATOM 21 C SER A 3 16.654 -5.823 19.493 1.00 0.00 C ATOM 22 O SER A 3 15.532 -5.456 19.839 1.00 0.00 O ATOM 23 CB SER A 3 18.776 -4.781 20.310 1.00 0.00 C ATOM 24 OG SER A 3 18.194 -4.315 21.516 1.00 0.00 O ATOM 0 H SER A 3 16.338 -3.294 19.521 1.00 0.00 H new ATOM 0 HA SER A 3 18.243 -5.108 18.255 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.182 -5.781 20.461 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.610 -4.137 20.033 1.00 0.00 H new ATOM 0 HG SER A 3 18.871 -4.309 22.225 1.00 0.00 H new ATOM 30 N GLY A 4 16.990 -7.104 19.371 1.00 0.00 N ATOM 31 CA GLY A 4 16.026 -8.154 19.645 1.00 0.00 C ATOM 32 C GLY A 4 14.833 -8.104 18.712 1.00 0.00 C ATOM 33 O GLY A 4 13.962 -7.246 18.853 1.00 0.00 O ATOM 0 H GLY A 4 17.913 -7.433 19.087 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.514 -9.124 19.553 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.681 -8.067 20.675 1.00 0.00 H new ATOM 37 N SER A 5 14.794 -9.025 17.755 1.00 0.00 N ATOM 38 CA SER A 5 13.701 -9.080 16.791 1.00 0.00 C ATOM 39 C SER A 5 12.436 -9.640 17.434 1.00 0.00 C ATOM 40 O SER A 5 12.503 -10.459 18.351 1.00 0.00 O ATOM 41 CB SER A 5 14.097 -9.937 15.587 1.00 0.00 C ATOM 42 OG SER A 5 14.166 -11.308 15.938 1.00 0.00 O ATOM 0 H SER A 5 15.507 -9.743 17.626 1.00 0.00 H new ATOM 0 HA SER A 5 13.496 -8.064 16.453 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.372 -9.800 14.785 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.063 -9.607 15.204 1.00 0.00 H new ATOM 0 HG SER A 5 14.419 -11.835 15.151 1.00 0.00 H new ATOM 48 N SER A 6 11.283 -9.192 16.947 1.00 0.00 N ATOM 49 CA SER A 6 10.002 -9.644 17.476 1.00 0.00 C ATOM 50 C SER A 6 8.925 -9.609 16.396 1.00 0.00 C ATOM 51 O SER A 6 8.691 -8.577 15.770 1.00 0.00 O ATOM 52 CB SER A 6 9.580 -8.774 18.662 1.00 0.00 C ATOM 53 OG SER A 6 10.434 -8.978 19.774 1.00 0.00 O ATOM 0 H SER A 6 11.210 -8.516 16.187 1.00 0.00 H new ATOM 0 HA SER A 6 10.120 -10.674 17.814 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.600 -7.724 18.372 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.553 -9.008 18.941 1.00 0.00 H new ATOM 0 HG SER A 6 10.144 -8.409 20.518 1.00 0.00 H new ATOM 59 N GLY A 7 8.272 -10.748 16.183 1.00 0.00 N ATOM 60 CA GLY A 7 7.228 -10.827 15.179 1.00 0.00 C ATOM 61 C GLY A 7 6.487 -12.149 15.216 1.00 0.00 C ATOM 62 O GLY A 7 5.829 -12.472 16.204 1.00 0.00 O ATOM 0 H GLY A 7 8.448 -11.617 16.688 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.520 -10.013 15.331 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.667 -10.688 14.191 1.00 0.00 H new ATOM 66 N ASN A 8 6.593 -12.916 14.135 1.00 0.00 N ATOM 67 CA ASN A 8 5.926 -14.210 14.047 1.00 0.00 C ATOM 68 C ASN A 8 4.435 -14.074 14.344 1.00 0.00 C ATOM 69 O ASN A 8 3.881 -14.823 15.148 1.00 0.00 O ATOM 70 CB ASN A 8 6.563 -15.203 15.021 1.00 0.00 C ATOM 71 CG ASN A 8 8.009 -15.501 14.679 1.00 0.00 C ATOM 72 OD1 ASN A 8 8.310 -16.014 13.601 1.00 0.00 O ATOM 73 ND2 ASN A 8 8.913 -15.182 15.598 1.00 0.00 N ATOM 0 H ASN A 8 7.134 -12.664 13.308 1.00 0.00 H new ATOM 0 HA ASN A 8 6.044 -14.583 13.030 1.00 0.00 H new ATOM 0 HB2 ASN A 8 6.507 -14.802 16.033 1.00 0.00 H new ATOM 0 HB3 ASN A 8 5.992 -16.132 15.014 1.00 0.00 H new ATOM 0 HD21 ASN A 8 9.902 -15.361 15.424 1.00 0.00 H new ATOM 0 HD22 ASN A 8 8.618 -14.758 16.478 1.00 0.00 H new ATOM 80 N ALA A 9 3.792 -13.114 13.688 1.00 0.00 N ATOM 81 CA ALA A 9 2.366 -12.881 13.879 1.00 0.00 C ATOM 82 C ALA A 9 1.838 -11.856 12.882 1.00 0.00 C ATOM 83 O ALA A 9 2.558 -10.963 12.433 1.00 0.00 O ATOM 84 CB ALA A 9 2.092 -12.424 15.304 1.00 0.00 C ATOM 0 H ALA A 9 4.236 -12.485 13.019 1.00 0.00 H new ATOM 0 HA ALA A 9 1.843 -13.821 13.704 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.023 -12.254 15.432 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.424 -13.192 16.003 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.633 -11.498 15.500 1.00 0.00 H new ATOM 90 N PRO A 10 0.552 -11.984 12.524 1.00 0.00 N ATOM 91 CA PRO A 10 -0.101 -11.077 11.575 1.00 0.00 C ATOM 92 C PRO A 10 -0.299 -9.679 12.152 1.00 0.00 C ATOM 93 O PRO A 10 -0.195 -9.475 13.362 1.00 0.00 O ATOM 94 CB PRO A 10 -1.453 -11.746 11.318 1.00 0.00 C ATOM 95 CG PRO A 10 -1.712 -12.560 12.538 1.00 0.00 C ATOM 96 CD PRO A 10 -0.365 -13.025 13.019 1.00 0.00 C ATOM 0 HA PRO A 10 0.495 -10.931 10.674 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -2.238 -11.006 11.162 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -1.422 -12.370 10.425 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -2.216 -11.968 13.302 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.359 -13.407 12.312 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -0.332 -13.106 14.106 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.112 -14.007 12.619 1.00 0.00 H new ATOM 104 N LYS A 11 -0.585 -8.719 11.280 1.00 0.00 N ATOM 105 CA LYS A 11 -0.800 -7.340 11.702 1.00 0.00 C ATOM 106 C LYS A 11 -2.215 -6.882 11.363 1.00 0.00 C ATOM 107 O LYS A 11 -2.868 -7.449 10.488 1.00 0.00 O ATOM 108 CB LYS A 11 0.221 -6.416 11.034 1.00 0.00 C ATOM 109 CG LYS A 11 0.225 -6.509 9.518 1.00 0.00 C ATOM 110 CD LYS A 11 0.783 -5.246 8.883 1.00 0.00 C ATOM 111 CE LYS A 11 0.287 -5.074 7.455 1.00 0.00 C ATOM 112 NZ LYS A 11 -1.188 -4.873 7.400 1.00 0.00 N ATOM 0 H LYS A 11 -0.673 -8.871 10.275 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.671 -7.292 12.783 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.013 -5.387 11.326 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.216 -6.658 11.407 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.820 -7.367 9.207 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.791 -6.679 9.160 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.492 -4.380 9.477 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.872 -5.285 8.889 1.00 0.00 H new ATOM 0 HE2 LYS A 11 0.787 -4.220 6.997 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.556 -5.953 6.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.641 -5.727 7.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.549 -4.689 8.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.405 -4.062 6.787 1.00 0.00 H new ATOM 126 N ARG A 12 -2.681 -5.851 12.061 1.00 0.00 N ATOM 127 CA ARG A 12 -4.018 -5.317 11.834 1.00 0.00 C ATOM 128 C ARG A 12 -4.185 -4.867 10.385 1.00 0.00 C ATOM 129 O ARG A 12 -3.265 -4.331 9.766 1.00 0.00 O ATOM 130 CB ARG A 12 -4.289 -4.144 12.777 1.00 0.00 C ATOM 131 CG ARG A 12 -4.693 -4.570 14.179 1.00 0.00 C ATOM 132 CD ARG A 12 -4.819 -3.375 15.111 1.00 0.00 C ATOM 133 NE ARG A 12 -3.569 -2.628 15.215 1.00 0.00 N ATOM 134 CZ ARG A 12 -3.204 -1.683 14.356 1.00 0.00 C ATOM 135 NH1 ARG A 12 -3.990 -1.372 13.334 1.00 0.00 N ATOM 136 NH2 ARG A 12 -2.050 -1.047 14.517 1.00 0.00 N ATOM 0 H ARG A 12 -2.152 -5.369 12.788 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.738 -6.110 12.036 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.395 -3.524 12.838 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.079 -3.523 12.353 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.643 -5.103 14.139 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.954 -5.266 14.576 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.607 -2.715 14.749 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.120 -3.718 16.101 1.00 0.00 H new ATOM 0 HE ARG A 12 -2.942 -2.844 15.990 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.877 -1.859 13.206 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.707 -0.646 12.676 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.442 -1.284 15.301 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -1.771 -0.322 13.856 1.00 0.00 H new ATOM 150 N PRO A 13 -5.386 -5.090 9.830 1.00 0.00 N ATOM 151 CA PRO A 13 -5.701 -4.715 8.449 1.00 0.00 C ATOM 152 C PRO A 13 -5.787 -3.204 8.263 1.00 0.00 C ATOM 153 O PRO A 13 -6.177 -2.464 9.166 1.00 0.00 O ATOM 154 CB PRO A 13 -7.068 -5.361 8.209 1.00 0.00 C ATOM 155 CG PRO A 13 -7.673 -5.482 9.566 1.00 0.00 C ATOM 156 CD PRO A 13 -6.528 -5.724 10.510 1.00 0.00 C ATOM 0 HA PRO A 13 -4.930 -5.044 7.752 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.686 -4.748 7.553 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -6.967 -6.336 7.732 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.215 -4.575 9.834 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -8.389 -6.303 9.602 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -6.712 -5.278 11.487 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -6.359 -6.789 10.672 1.00 0.00 H new ATOM 164 N PRO A 14 -5.414 -2.732 7.064 1.00 0.00 N ATOM 165 CA PRO A 14 -5.441 -1.305 6.731 1.00 0.00 C ATOM 166 C PRO A 14 -6.862 -0.764 6.612 1.00 0.00 C ATOM 167 O PRO A 14 -7.791 -1.502 6.284 1.00 0.00 O ATOM 168 CB PRO A 14 -4.730 -1.243 5.377 1.00 0.00 C ATOM 169 CG PRO A 14 -4.926 -2.595 4.784 1.00 0.00 C ATOM 170 CD PRO A 14 -4.939 -3.557 5.940 1.00 0.00 C ATOM 0 HA PRO A 14 -4.970 -0.697 7.503 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.156 -0.466 4.742 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.671 -1.013 5.496 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.860 -2.644 4.225 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.124 -2.835 4.086 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -5.602 -4.401 5.753 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.948 -3.967 6.133 1.00 0.00 H new ATOM 178 N SER A 15 -7.023 0.528 6.880 1.00 0.00 N ATOM 179 CA SER A 15 -8.332 1.166 6.805 1.00 0.00 C ATOM 180 C SER A 15 -8.455 2.007 5.538 1.00 0.00 C ATOM 181 O SER A 15 -7.454 2.435 4.964 1.00 0.00 O ATOM 182 CB SER A 15 -8.566 2.043 8.037 1.00 0.00 C ATOM 183 OG SER A 15 -9.057 1.276 9.123 1.00 0.00 O ATOM 0 H SER A 15 -6.264 1.153 7.151 1.00 0.00 H new ATOM 0 HA SER A 15 -9.089 0.383 6.775 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.634 2.529 8.323 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.277 2.833 7.795 1.00 0.00 H new ATOM 0 HG SER A 15 -9.197 1.859 9.898 1.00 0.00 H new ATOM 189 N GLY A 16 -9.691 2.239 5.107 1.00 0.00 N ATOM 190 CA GLY A 16 -9.924 3.027 3.910 1.00 0.00 C ATOM 191 C GLY A 16 -8.992 4.218 3.811 1.00 0.00 C ATOM 192 O GLY A 16 -8.629 4.642 2.713 1.00 0.00 O ATOM 0 H GLY A 16 -10.535 1.896 5.565 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.795 2.395 3.031 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.957 3.376 3.903 1.00 0.00 H new ATOM 196 N PHE A 17 -8.605 4.762 4.959 1.00 0.00 N ATOM 197 CA PHE A 17 -7.711 5.915 4.997 1.00 0.00 C ATOM 198 C PHE A 17 -6.279 5.503 4.672 1.00 0.00 C ATOM 199 O PHE A 17 -5.548 6.233 4.002 1.00 0.00 O ATOM 200 CB PHE A 17 -7.762 6.582 6.373 1.00 0.00 C ATOM 201 CG PHE A 17 -6.499 7.308 6.734 1.00 0.00 C ATOM 202 CD1 PHE A 17 -5.938 8.226 5.861 1.00 0.00 C ATOM 203 CD2 PHE A 17 -5.871 7.074 7.947 1.00 0.00 C ATOM 204 CE1 PHE A 17 -4.775 8.897 6.190 1.00 0.00 C ATOM 205 CE2 PHE A 17 -4.709 7.742 8.282 1.00 0.00 C ATOM 206 CZ PHE A 17 -4.159 8.654 7.402 1.00 0.00 C ATOM 0 H PHE A 17 -8.896 4.424 5.876 1.00 0.00 H new ATOM 0 HA PHE A 17 -8.046 6.628 4.243 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.595 7.285 6.397 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -7.964 5.823 7.129 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.415 8.420 4.912 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.295 6.361 8.639 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.349 9.610 5.500 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.231 7.551 9.231 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.250 9.176 7.661 1.00 0.00 H new ATOM 216 N PHE A 18 -5.884 4.328 5.152 1.00 0.00 N ATOM 217 CA PHE A 18 -4.538 3.819 4.914 1.00 0.00 C ATOM 218 C PHE A 18 -4.384 3.339 3.474 1.00 0.00 C ATOM 219 O PHE A 18 -3.547 3.844 2.725 1.00 0.00 O ATOM 220 CB PHE A 18 -4.225 2.675 5.881 1.00 0.00 C ATOM 221 CG PHE A 18 -2.899 2.018 5.623 1.00 0.00 C ATOM 222 CD1 PHE A 18 -2.742 1.134 4.568 1.00 0.00 C ATOM 223 CD2 PHE A 18 -1.809 2.285 6.436 1.00 0.00 C ATOM 224 CE1 PHE A 18 -1.523 0.528 4.327 1.00 0.00 C ATOM 225 CE2 PHE A 18 -0.588 1.682 6.200 1.00 0.00 C ATOM 226 CZ PHE A 18 -0.445 0.802 5.146 1.00 0.00 C ATOM 0 H PHE A 18 -6.476 3.711 5.708 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.833 4.633 5.084 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.239 3.058 6.901 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.013 1.925 5.811 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -3.582 0.916 3.926 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.915 2.972 7.263 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.414 -0.158 3.500 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.254 1.899 6.840 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.508 0.329 4.962 1.00 0.00 H new ATOM 236 N LEU A 19 -5.198 2.361 3.093 1.00 0.00 N ATOM 237 CA LEU A 19 -5.154 1.812 1.742 1.00 0.00 C ATOM 238 C LEU A 19 -4.912 2.912 0.714 1.00 0.00 C ATOM 239 O LEU A 19 -4.138 2.737 -0.227 1.00 0.00 O ATOM 240 CB LEU A 19 -6.459 1.080 1.425 1.00 0.00 C ATOM 241 CG LEU A 19 -6.640 -0.288 2.084 1.00 0.00 C ATOM 242 CD1 LEU A 19 -8.111 -0.671 2.124 1.00 0.00 C ATOM 243 CD2 LEU A 19 -5.831 -1.346 1.348 1.00 0.00 C ATOM 0 H LEU A 19 -5.896 1.932 3.700 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.326 1.105 1.691 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.291 1.717 1.724 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.527 0.952 0.345 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.274 -0.227 3.109 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.220 -1.647 2.596 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.665 0.073 2.696 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.504 -0.714 1.108 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.972 -2.313 1.831 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.166 -1.405 0.312 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.775 -1.079 1.373 1.00 0.00 H new ATOM 255 N PHE A 20 -5.577 4.047 0.902 1.00 0.00 N ATOM 256 CA PHE A 20 -5.434 5.177 -0.009 1.00 0.00 C ATOM 257 C PHE A 20 -4.102 5.888 0.213 1.00 0.00 C ATOM 258 O PHE A 20 -3.465 6.345 -0.736 1.00 0.00 O ATOM 259 CB PHE A 20 -6.588 6.163 0.182 1.00 0.00 C ATOM 260 CG PHE A 20 -6.235 7.577 -0.179 1.00 0.00 C ATOM 261 CD1 PHE A 20 -5.582 8.395 0.729 1.00 0.00 C ATOM 262 CD2 PHE A 20 -6.557 8.089 -1.426 1.00 0.00 C ATOM 263 CE1 PHE A 20 -5.255 9.697 0.400 1.00 0.00 C ATOM 264 CE2 PHE A 20 -6.232 9.390 -1.761 1.00 0.00 C ATOM 265 CZ PHE A 20 -5.581 10.195 -0.846 1.00 0.00 C ATOM 0 H PHE A 20 -6.220 4.209 1.677 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.457 4.794 -1.029 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -7.434 5.842 -0.426 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.913 6.132 1.222 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -5.326 8.011 1.705 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.068 7.464 -2.144 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.745 10.324 1.116 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.487 9.777 -2.737 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.327 11.212 -1.105 1.00 0.00 H new ATOM 275 N CYS A 21 -3.688 5.977 1.472 1.00 0.00 N ATOM 276 CA CYS A 21 -2.433 6.634 1.820 1.00 0.00 C ATOM 277 C CYS A 21 -1.245 5.884 1.227 1.00 0.00 C ATOM 278 O CYS A 21 -0.311 6.493 0.706 1.00 0.00 O ATOM 279 CB CYS A 21 -2.286 6.726 3.340 1.00 0.00 C ATOM 280 SG CYS A 21 -1.528 5.270 4.098 1.00 0.00 S ATOM 0 H CYS A 21 -4.203 5.603 2.269 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.450 7.641 1.402 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.686 7.603 3.584 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.271 6.881 3.781 1.00 0.00 H new ATOM 0 HG CYS A 21 -2.122 4.197 3.667 1.00 0.00 H new ATOM 286 N SER A 22 -1.286 4.558 1.311 1.00 0.00 N ATOM 287 CA SER A 22 -0.210 3.725 0.787 1.00 0.00 C ATOM 288 C SER A 22 -0.233 3.703 -0.738 1.00 0.00 C ATOM 289 O SER A 22 0.761 3.366 -1.379 1.00 0.00 O ATOM 290 CB SER A 22 -0.330 2.300 1.331 1.00 0.00 C ATOM 291 OG SER A 22 0.903 1.609 1.227 1.00 0.00 O ATOM 0 H SER A 22 -2.053 4.038 1.737 1.00 0.00 H new ATOM 0 HA SER A 22 0.739 4.152 1.112 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.646 2.331 2.374 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.100 1.761 0.780 1.00 0.00 H new ATOM 0 HG SER A 22 0.800 0.702 1.583 1.00 0.00 H new ATOM 297 N GLU A 23 -1.377 4.066 -1.312 1.00 0.00 N ATOM 298 CA GLU A 23 -1.530 4.087 -2.762 1.00 0.00 C ATOM 299 C GLU A 23 -1.097 5.434 -3.335 1.00 0.00 C ATOM 300 O GLU A 23 -0.626 5.515 -4.469 1.00 0.00 O ATOM 301 CB GLU A 23 -2.982 3.800 -3.148 1.00 0.00 C ATOM 302 CG GLU A 23 -3.248 3.906 -4.640 1.00 0.00 C ATOM 303 CD GLU A 23 -4.367 2.992 -5.099 1.00 0.00 C ATOM 304 OE1 GLU A 23 -4.084 1.813 -5.401 1.00 0.00 O ATOM 305 OE2 GLU A 23 -5.526 3.454 -5.158 1.00 0.00 O ATOM 0 H GLU A 23 -2.210 4.349 -0.795 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.890 3.310 -3.181 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.247 2.798 -2.811 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.634 4.497 -2.621 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.501 4.937 -4.888 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.337 3.661 -5.186 1.00 0.00 H new ATOM 312 N PHE A 24 -1.260 6.488 -2.542 1.00 0.00 N ATOM 313 CA PHE A 24 -0.888 7.831 -2.970 1.00 0.00 C ATOM 314 C PHE A 24 0.531 8.171 -2.523 1.00 0.00 C ATOM 315 O PHE A 24 1.144 9.111 -3.029 1.00 0.00 O ATOM 316 CB PHE A 24 -1.872 8.859 -2.407 1.00 0.00 C ATOM 317 CG PHE A 24 -3.082 9.067 -3.273 1.00 0.00 C ATOM 318 CD1 PHE A 24 -4.010 8.053 -3.444 1.00 0.00 C ATOM 319 CD2 PHE A 24 -3.291 10.277 -3.914 1.00 0.00 C ATOM 320 CE1 PHE A 24 -5.124 8.242 -4.240 1.00 0.00 C ATOM 321 CE2 PHE A 24 -4.403 10.472 -4.711 1.00 0.00 C ATOM 322 CZ PHE A 24 -5.321 9.453 -4.874 1.00 0.00 C ATOM 0 H PHE A 24 -1.647 6.438 -1.600 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.924 7.861 -4.059 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.195 8.537 -1.417 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.357 9.812 -2.281 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.861 7.104 -2.950 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.577 11.077 -3.789 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.840 7.443 -4.366 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.554 11.420 -5.206 1.00 0.00 H new ATOM 0 HZ PHE A 24 -6.191 9.603 -5.496 1.00 0.00 H new ATOM 332 N ARG A 25 1.046 7.398 -1.572 1.00 0.00 N ATOM 333 CA ARG A 25 2.392 7.617 -1.056 1.00 0.00 C ATOM 334 C ARG A 25 3.410 7.661 -2.191 1.00 0.00 C ATOM 335 O ARG A 25 4.283 8.527 -2.242 1.00 0.00 O ATOM 336 CB ARG A 25 2.766 6.515 -0.063 1.00 0.00 C ATOM 337 CG ARG A 25 3.692 6.984 1.047 1.00 0.00 C ATOM 338 CD ARG A 25 3.742 5.982 2.190 1.00 0.00 C ATOM 339 NE ARG A 25 4.316 4.705 1.774 1.00 0.00 N ATOM 340 CZ ARG A 25 5.622 4.462 1.741 1.00 0.00 C ATOM 341 NH1 ARG A 25 6.484 5.404 2.097 1.00 0.00 N ATOM 342 NH2 ARG A 25 6.067 3.275 1.350 1.00 0.00 N ATOM 0 H ARG A 25 0.552 6.615 -1.144 1.00 0.00 H new ATOM 0 HA ARG A 25 2.405 8.579 -0.543 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.855 6.113 0.381 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.245 5.698 -0.603 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.695 7.132 0.647 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.352 7.949 1.422 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.332 6.395 3.008 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.735 5.819 2.573 1.00 0.00 H new ATOM 0 HE ARG A 25 3.680 3.959 1.493 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.145 6.318 2.397 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.486 5.215 2.071 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.407 2.548 1.074 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.070 3.089 1.325 1.00 0.00 H new ATOM 356 N PRO A 26 3.296 6.705 -3.125 1.00 0.00 N ATOM 357 CA PRO A 26 4.198 6.613 -4.277 1.00 0.00 C ATOM 358 C PRO A 26 4.379 7.954 -4.981 1.00 0.00 C ATOM 359 O PRO A 26 5.500 8.357 -5.293 1.00 0.00 O ATOM 360 CB PRO A 26 3.493 5.616 -5.201 1.00 0.00 C ATOM 361 CG PRO A 26 2.665 4.777 -4.290 1.00 0.00 C ATOM 362 CD PRO A 26 2.279 5.641 -3.129 1.00 0.00 C ATOM 0 HA PRO A 26 5.203 6.308 -3.984 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.875 6.128 -5.939 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.212 5.011 -5.753 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.779 4.406 -4.806 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.226 3.905 -3.952 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.275 6.048 -3.251 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.284 5.080 -2.194 1.00 0.00 H new ATOM 370 N LYS A 27 3.270 8.642 -5.227 1.00 0.00 N ATOM 371 CA LYS A 27 3.305 9.939 -5.892 1.00 0.00 C ATOM 372 C LYS A 27 4.015 10.975 -5.027 1.00 0.00 C ATOM 373 O LYS A 27 4.989 11.594 -5.456 1.00 0.00 O ATOM 374 CB LYS A 27 1.885 10.411 -6.210 1.00 0.00 C ATOM 375 CG LYS A 27 1.060 9.389 -6.972 1.00 0.00 C ATOM 376 CD LYS A 27 -0.425 9.549 -6.693 1.00 0.00 C ATOM 377 CE LYS A 27 -1.231 8.404 -7.286 1.00 0.00 C ATOM 378 NZ LYS A 27 -1.445 8.577 -8.750 1.00 0.00 N ATOM 0 H LYS A 27 2.334 8.323 -4.976 1.00 0.00 H new ATOM 0 HA LYS A 27 3.861 9.827 -6.823 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.375 10.655 -5.278 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.939 11.330 -6.794 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.244 9.496 -8.041 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.377 8.384 -6.694 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.591 9.593 -5.617 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.774 10.494 -7.108 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.713 7.462 -7.103 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.196 8.340 -6.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.998 7.776 -9.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.961 9.463 -8.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.525 8.613 -9.234 1.00 0.00 H new ATOM 392 N ILE A 28 3.522 11.157 -3.806 1.00 0.00 N ATOM 393 CA ILE A 28 4.111 12.117 -2.880 1.00 0.00 C ATOM 394 C ILE A 28 5.630 11.987 -2.848 1.00 0.00 C ATOM 395 O ILE A 28 6.352 12.960 -3.068 1.00 0.00 O ATOM 396 CB ILE A 28 3.561 11.933 -1.454 1.00 0.00 C ATOM 397 CG1 ILE A 28 2.034 12.026 -1.456 1.00 0.00 C ATOM 398 CG2 ILE A 28 4.160 12.972 -0.517 1.00 0.00 C ATOM 399 CD1 ILE A 28 1.414 11.824 -0.091 1.00 0.00 C ATOM 0 H ILE A 28 2.717 10.653 -3.435 1.00 0.00 H new ATOM 0 HA ILE A 28 3.841 13.110 -3.239 1.00 0.00 H new ATOM 0 HB ILE A 28 3.845 10.943 -1.096 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.738 13.002 -1.839 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.634 11.280 -2.142 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.761 12.829 0.487 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.244 12.861 -0.496 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.904 13.971 -0.870 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.330 11.903 -0.169 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.679 10.837 0.287 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.786 12.586 0.594 1.00 0.00 H new ATOM 411 N LYS A 29 6.110 10.779 -2.575 1.00 0.00 N ATOM 412 CA LYS A 29 7.544 10.519 -2.517 1.00 0.00 C ATOM 413 C LYS A 29 8.191 10.730 -3.882 1.00 0.00 C ATOM 414 O LYS A 29 9.409 10.873 -3.987 1.00 0.00 O ATOM 415 CB LYS A 29 7.805 9.092 -2.032 1.00 0.00 C ATOM 416 CG LYS A 29 7.346 8.840 -0.606 1.00 0.00 C ATOM 417 CD LYS A 29 7.918 7.544 -0.056 1.00 0.00 C ATOM 418 CE LYS A 29 9.282 7.764 0.580 1.00 0.00 C ATOM 419 NZ LYS A 29 10.383 7.666 -0.418 1.00 0.00 N ATOM 0 H LYS A 29 5.526 9.963 -2.390 1.00 0.00 H new ATOM 0 HA LYS A 29 7.987 11.222 -1.812 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.298 8.393 -2.697 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.872 8.883 -2.104 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.653 9.672 0.028 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.257 8.800 -0.575 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.234 7.127 0.683 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.003 6.813 -0.860 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.308 8.745 1.053 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.439 7.026 1.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.240 7.301 0.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.101 7.021 -1.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.578 8.608 -0.814 1.00 0.00 H new ATOM 433 N SER A 30 7.367 10.751 -4.925 1.00 0.00 N ATOM 434 CA SER A 30 7.860 10.942 -6.284 1.00 0.00 C ATOM 435 C SER A 30 7.734 12.403 -6.707 1.00 0.00 C ATOM 436 O SER A 30 8.287 12.817 -7.726 1.00 0.00 O ATOM 437 CB SER A 30 7.089 10.050 -7.259 1.00 0.00 C ATOM 438 OG SER A 30 7.693 10.055 -8.541 1.00 0.00 O ATOM 0 H SER A 30 6.356 10.638 -4.855 1.00 0.00 H new ATOM 0 HA SER A 30 8.914 10.665 -6.304 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.054 9.031 -6.874 1.00 0.00 H new ATOM 0 HB3 SER A 30 6.059 10.397 -7.338 1.00 0.00 H new ATOM 0 HG SER A 30 8.043 10.950 -8.734 1.00 0.00 H new ATOM 444 N THR A 31 7.002 13.181 -5.915 1.00 0.00 N ATOM 445 CA THR A 31 6.802 14.595 -6.206 1.00 0.00 C ATOM 446 C THR A 31 7.701 15.468 -5.338 1.00 0.00 C ATOM 447 O THR A 31 8.292 16.434 -5.816 1.00 0.00 O ATOM 448 CB THR A 31 5.335 15.011 -5.987 1.00 0.00 C ATOM 449 OG1 THR A 31 4.730 14.171 -4.998 1.00 0.00 O ATOM 450 CG2 THR A 31 4.548 14.923 -7.285 1.00 0.00 C ATOM 0 H THR A 31 6.538 12.855 -5.067 1.00 0.00 H new ATOM 0 HA THR A 31 7.061 14.742 -7.255 1.00 0.00 H new ATOM 0 HB THR A 31 5.321 16.045 -5.642 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.595 13.274 -5.369 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.515 15.221 -7.105 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.994 15.586 -8.026 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.570 13.898 -7.655 1.00 0.00 H new ATOM 458 N ASN A 32 7.800 15.119 -4.059 1.00 0.00 N ATOM 459 CA ASN A 32 8.628 15.872 -3.124 1.00 0.00 C ATOM 460 C ASN A 32 10.038 15.292 -3.058 1.00 0.00 C ATOM 461 O ASN A 32 10.236 14.103 -2.809 1.00 0.00 O ATOM 462 CB ASN A 32 7.996 15.865 -1.731 1.00 0.00 C ATOM 463 CG ASN A 32 6.659 16.580 -1.699 1.00 0.00 C ATOM 464 OD1 ASN A 32 6.460 17.513 -0.922 1.00 0.00 O ATOM 465 ND2 ASN A 32 5.735 16.143 -2.547 1.00 0.00 N ATOM 0 H ASN A 32 7.318 14.320 -3.647 1.00 0.00 H new ATOM 0 HA ASN A 32 8.693 16.900 -3.481 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.862 14.835 -1.401 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.676 16.340 -1.024 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.816 16.585 -2.572 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.944 15.366 -3.173 1.00 0.00 H new ATOM 472 N PRO A 33 11.043 16.152 -3.284 1.00 0.00 N ATOM 473 CA PRO A 33 12.452 15.748 -3.255 1.00 0.00 C ATOM 474 C PRO A 33 12.928 15.410 -1.846 1.00 0.00 C ATOM 475 O PRO A 33 12.592 16.100 -0.884 1.00 0.00 O ATOM 476 CB PRO A 33 13.185 16.982 -3.786 1.00 0.00 C ATOM 477 CG PRO A 33 12.279 18.124 -3.476 1.00 0.00 C ATOM 478 CD PRO A 33 10.880 17.584 -3.586 1.00 0.00 C ATOM 0 HA PRO A 33 12.630 14.845 -3.839 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.155 17.104 -3.304 1.00 0.00 H new ATOM 0 HB3 PRO A 33 13.369 16.902 -4.857 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.470 18.513 -2.476 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.436 18.947 -4.173 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.205 18.069 -2.881 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.466 17.740 -4.582 1.00 0.00 H new ATOM 486 N GLY A 34 13.714 14.344 -1.732 1.00 0.00 N ATOM 487 CA GLY A 34 14.225 13.933 -0.437 1.00 0.00 C ATOM 488 C GLY A 34 13.244 14.207 0.686 1.00 0.00 C ATOM 489 O GLY A 34 13.617 14.751 1.726 1.00 0.00 O ATOM 0 H GLY A 34 14.006 13.757 -2.514 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.456 12.868 -0.462 1.00 0.00 H new ATOM 0 HA3 GLY A 34 15.159 14.457 -0.235 1.00 0.00 H new ATOM 493 N ILE A 35 11.987 13.832 0.476 1.00 0.00 N ATOM 494 CA ILE A 35 10.950 14.041 1.479 1.00 0.00 C ATOM 495 C ILE A 35 11.073 13.031 2.615 1.00 0.00 C ATOM 496 O ILE A 35 11.296 11.843 2.382 1.00 0.00 O ATOM 497 CB ILE A 35 9.542 13.936 0.864 1.00 0.00 C ATOM 498 CG1 ILE A 35 8.476 14.027 1.957 1.00 0.00 C ATOM 499 CG2 ILE A 35 9.400 12.637 0.085 1.00 0.00 C ATOM 500 CD1 ILE A 35 7.072 14.201 1.420 1.00 0.00 C ATOM 0 H ILE A 35 11.662 13.382 -0.380 1.00 0.00 H new ATOM 0 HA ILE A 35 11.091 15.047 1.873 1.00 0.00 H new ATOM 0 HB ILE A 35 9.400 14.768 0.174 1.00 0.00 H new ATOM 0 HG12 ILE A 35 8.514 13.124 2.566 1.00 0.00 H new ATOM 0 HG13 ILE A 35 8.711 14.864 2.614 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.400 12.577 -0.344 1.00 0.00 H new ATOM 0 HG22 ILE A 35 10.140 12.610 -0.715 1.00 0.00 H new ATOM 0 HG23 ILE A 35 9.559 11.792 0.755 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.369 14.258 2.251 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.017 15.119 0.835 1.00 0.00 H new ATOM 0 HD13 ILE A 35 6.817 13.351 0.787 1.00 0.00 H new ATOM 512 N SER A 36 10.923 13.512 3.845 1.00 0.00 N ATOM 513 CA SER A 36 11.019 12.652 5.019 1.00 0.00 C ATOM 514 C SER A 36 9.650 12.094 5.397 1.00 0.00 C ATOM 515 O SER A 36 8.621 12.724 5.150 1.00 0.00 O ATOM 516 CB SER A 36 11.610 13.426 6.199 1.00 0.00 C ATOM 517 OG SER A 36 10.639 14.272 6.791 1.00 0.00 O ATOM 0 H SER A 36 10.735 14.492 4.055 1.00 0.00 H new ATOM 0 HA SER A 36 11.678 11.819 4.775 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.990 12.726 6.943 1.00 0.00 H new ATOM 0 HB3 SER A 36 12.458 14.021 5.860 1.00 0.00 H new ATOM 0 HG SER A 36 11.041 14.754 7.544 1.00 0.00 H new ATOM 523 N ILE A 37 9.647 10.908 5.997 1.00 0.00 N ATOM 524 CA ILE A 37 8.406 10.265 6.410 1.00 0.00 C ATOM 525 C ILE A 37 7.475 11.258 7.099 1.00 0.00 C ATOM 526 O ILE A 37 6.279 11.303 6.815 1.00 0.00 O ATOM 527 CB ILE A 37 8.673 9.084 7.362 1.00 0.00 C ATOM 528 CG1 ILE A 37 9.469 7.993 6.644 1.00 0.00 C ATOM 529 CG2 ILE A 37 7.362 8.527 7.896 1.00 0.00 C ATOM 530 CD1 ILE A 37 10.040 6.948 7.578 1.00 0.00 C ATOM 0 H ILE A 37 10.490 10.373 6.208 1.00 0.00 H new ATOM 0 HA ILE A 37 7.929 9.890 5.505 1.00 0.00 H new ATOM 0 HB ILE A 37 9.263 9.442 8.206 1.00 0.00 H new ATOM 0 HG12 ILE A 37 8.823 7.503 5.915 1.00 0.00 H new ATOM 0 HG13 ILE A 37 10.284 8.456 6.088 1.00 0.00 H new ATOM 0 HG21 ILE A 37 7.567 7.693 8.567 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.830 9.308 8.439 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.748 8.181 7.064 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.592 6.206 7.000 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.712 7.426 8.291 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.228 6.458 8.116 1.00 0.00 H new ATOM 542 N GLY A 38 8.034 12.054 8.006 1.00 0.00 N ATOM 543 CA GLY A 38 7.240 13.037 8.720 1.00 0.00 C ATOM 544 C GLY A 38 6.354 13.848 7.796 1.00 0.00 C ATOM 545 O GLY A 38 5.196 14.118 8.115 1.00 0.00 O ATOM 0 H GLY A 38 9.022 12.036 8.259 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.621 12.531 9.460 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.903 13.709 9.265 1.00 0.00 H new ATOM 549 N ASP A 39 6.898 14.240 6.650 1.00 0.00 N ATOM 550 CA ASP A 39 6.149 15.026 5.676 1.00 0.00 C ATOM 551 C ASP A 39 4.991 14.218 5.101 1.00 0.00 C ATOM 552 O ASP A 39 3.824 14.511 5.363 1.00 0.00 O ATOM 553 CB ASP A 39 7.071 15.495 4.549 1.00 0.00 C ATOM 554 CG ASP A 39 6.631 16.817 3.953 1.00 0.00 C ATOM 555 OD1 ASP A 39 5.521 16.871 3.383 1.00 0.00 O ATOM 556 OD2 ASP A 39 7.396 17.799 4.056 1.00 0.00 O ATOM 0 H ASP A 39 7.856 14.026 6.372 1.00 0.00 H new ATOM 0 HA ASP A 39 5.741 15.898 6.186 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.087 15.593 4.932 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.097 14.737 3.766 1.00 0.00 H new ATOM 561 N VAL A 40 5.321 13.199 4.313 1.00 0.00 N ATOM 562 CA VAL A 40 4.308 12.348 3.699 1.00 0.00 C ATOM 563 C VAL A 40 3.140 12.111 4.650 1.00 0.00 C ATOM 564 O VAL A 40 1.983 12.329 4.294 1.00 0.00 O ATOM 565 CB VAL A 40 4.898 10.989 3.278 1.00 0.00 C ATOM 566 CG1 VAL A 40 3.824 10.113 2.651 1.00 0.00 C ATOM 567 CG2 VAL A 40 6.063 11.187 2.321 1.00 0.00 C ATOM 0 H VAL A 40 6.282 12.943 4.085 1.00 0.00 H new ATOM 0 HA VAL A 40 3.950 12.870 2.812 1.00 0.00 H new ATOM 0 HB VAL A 40 5.272 10.483 4.168 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.259 9.157 2.360 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.025 9.943 3.373 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.417 10.610 1.770 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.467 10.216 2.034 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.718 11.713 1.431 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.840 11.774 2.811 1.00 0.00 H new ATOM 577 N ALA A 41 3.453 11.663 5.862 1.00 0.00 N ATOM 578 CA ALA A 41 2.429 11.398 6.866 1.00 0.00 C ATOM 579 C ALA A 41 1.445 12.559 6.966 1.00 0.00 C ATOM 580 O ALA A 41 0.231 12.363 6.916 1.00 0.00 O ATOM 581 CB ALA A 41 3.073 11.132 8.218 1.00 0.00 C ATOM 0 H ALA A 41 4.407 11.476 6.172 1.00 0.00 H new ATOM 0 HA ALA A 41 1.874 10.511 6.559 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.297 10.936 8.958 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.731 10.266 8.144 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.653 12.003 8.523 1.00 0.00 H new ATOM 587 N LYS A 42 1.977 13.769 7.108 1.00 0.00 N ATOM 588 CA LYS A 42 1.146 14.962 7.215 1.00 0.00 C ATOM 589 C LYS A 42 0.264 15.124 5.981 1.00 0.00 C ATOM 590 O LYS A 42 -0.963 15.150 6.080 1.00 0.00 O ATOM 591 CB LYS A 42 2.022 16.204 7.394 1.00 0.00 C ATOM 592 CG LYS A 42 1.231 17.495 7.511 1.00 0.00 C ATOM 593 CD LYS A 42 2.146 18.698 7.669 1.00 0.00 C ATOM 594 CE LYS A 42 1.398 19.898 8.228 1.00 0.00 C ATOM 595 NZ LYS A 42 0.715 20.674 7.156 1.00 0.00 N ATOM 0 H LYS A 42 2.980 13.949 7.152 1.00 0.00 H new ATOM 0 HA LYS A 42 0.503 14.849 8.088 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.634 16.081 8.287 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.705 16.282 6.548 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.610 17.623 6.625 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.558 17.434 8.366 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.973 18.443 8.331 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.579 18.956 6.703 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.662 19.560 8.957 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.096 20.547 8.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.216 21.484 7.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.420 21.019 6.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.031 20.062 6.667 1.00 0.00 H new ATOM 609 N LYS A 43 0.897 15.230 4.817 1.00 0.00 N ATOM 610 CA LYS A 43 0.170 15.386 3.562 1.00 0.00 C ATOM 611 C LYS A 43 -0.964 14.372 3.461 1.00 0.00 C ATOM 612 O LYS A 43 -2.121 14.738 3.248 1.00 0.00 O ATOM 613 CB LYS A 43 1.122 15.223 2.375 1.00 0.00 C ATOM 614 CG LYS A 43 2.128 16.353 2.242 1.00 0.00 C ATOM 615 CD LYS A 43 3.169 16.050 1.177 1.00 0.00 C ATOM 616 CE LYS A 43 2.727 16.545 -0.191 1.00 0.00 C ATOM 617 NZ LYS A 43 1.864 15.551 -0.888 1.00 0.00 N ATOM 0 H LYS A 43 1.912 15.211 4.717 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.259 16.388 3.541 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.659 14.280 2.478 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.537 15.159 1.457 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.607 17.277 1.991 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.622 16.516 3.200 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.115 16.520 1.447 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.347 14.975 1.136 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.183 17.483 -0.080 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.605 16.756 -0.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.287 15.308 -1.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.784 14.693 -0.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.918 15.957 -1.038 1.00 0.00 H new ATOM 631 N LEU A 44 -0.627 13.096 3.615 1.00 0.00 N ATOM 632 CA LEU A 44 -1.619 12.029 3.543 1.00 0.00 C ATOM 633 C LEU A 44 -2.889 12.413 4.296 1.00 0.00 C ATOM 634 O LEU A 44 -3.955 12.562 3.700 1.00 0.00 O ATOM 635 CB LEU A 44 -1.044 10.732 4.117 1.00 0.00 C ATOM 636 CG LEU A 44 -0.131 9.933 3.187 1.00 0.00 C ATOM 637 CD1 LEU A 44 0.431 8.717 3.906 1.00 0.00 C ATOM 638 CD2 LEU A 44 -0.883 9.513 1.933 1.00 0.00 C ATOM 0 H LEU A 44 0.325 12.775 3.790 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.874 11.874 2.495 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.486 10.975 5.021 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.874 10.092 4.417 1.00 0.00 H new ATOM 0 HG LEU A 44 0.702 10.571 2.891 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.078 8.161 3.228 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.006 9.041 4.773 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.388 8.077 4.233 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.218 8.945 1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.735 8.893 2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.236 10.400 1.406 1.00 0.00 H new ATOM 650 N GLY A 45 -2.766 12.573 5.610 1.00 0.00 N ATOM 651 CA GLY A 45 -3.911 12.941 6.423 1.00 0.00 C ATOM 652 C GLY A 45 -4.803 13.959 5.740 1.00 0.00 C ATOM 653 O GLY A 45 -6.014 13.764 5.641 1.00 0.00 O ATOM 0 H GLY A 45 -1.894 12.454 6.126 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.493 12.048 6.652 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.563 13.347 7.373 1.00 0.00 H new ATOM 657 N GLU A 46 -4.204 15.048 5.271 1.00 0.00 N ATOM 658 CA GLU A 46 -4.954 16.102 4.597 1.00 0.00 C ATOM 659 C GLU A 46 -5.666 15.557 3.362 1.00 0.00 C ATOM 660 O GLU A 46 -6.880 15.700 3.219 1.00 0.00 O ATOM 661 CB GLU A 46 -4.022 17.247 4.198 1.00 0.00 C ATOM 662 CG GLU A 46 -3.830 18.285 5.291 1.00 0.00 C ATOM 663 CD GLU A 46 -4.886 19.373 5.254 1.00 0.00 C ATOM 664 OE1 GLU A 46 -6.011 19.125 5.734 1.00 0.00 O ATOM 665 OE2 GLU A 46 -4.585 20.473 4.745 1.00 0.00 O ATOM 0 H GLU A 46 -3.202 15.224 5.345 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.704 16.480 5.291 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.050 16.835 3.925 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.421 17.737 3.310 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.855 17.793 6.263 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.844 18.737 5.188 1.00 0.00 H new ATOM 672 N MET A 47 -4.902 14.933 2.472 1.00 0.00 N ATOM 673 CA MET A 47 -5.459 14.367 1.249 1.00 0.00 C ATOM 674 C MET A 47 -6.675 13.499 1.557 1.00 0.00 C ATOM 675 O MET A 47 -7.625 13.445 0.776 1.00 0.00 O ATOM 676 CB MET A 47 -4.401 13.540 0.516 1.00 0.00 C ATOM 677 CG MET A 47 -3.099 14.289 0.283 1.00 0.00 C ATOM 678 SD MET A 47 -2.208 13.698 -1.170 1.00 0.00 S ATOM 679 CE MET A 47 -2.326 11.925 -0.941 1.00 0.00 C ATOM 0 H MET A 47 -3.895 14.806 2.575 1.00 0.00 H new ATOM 0 HA MET A 47 -5.774 15.190 0.608 1.00 0.00 H new ATOM 0 HB2 MET A 47 -4.194 12.638 1.092 1.00 0.00 H new ATOM 0 HB3 MET A 47 -4.803 13.220 -0.445 1.00 0.00 H new ATOM 0 HG2 MET A 47 -3.312 15.352 0.167 1.00 0.00 H new ATOM 0 HG3 MET A 47 -2.462 14.185 1.162 1.00 0.00 H new ATOM 0 HE1 MET A 47 -1.444 11.444 -1.363 1.00 0.00 H new ATOM 0 HE2 MET A 47 -2.388 11.699 0.124 1.00 0.00 H new ATOM 0 HE3 MET A 47 -3.218 11.552 -1.444 1.00 0.00 H new ATOM 689 N TRP A 48 -6.639 12.822 2.699 1.00 0.00 N ATOM 690 CA TRP A 48 -7.739 11.956 3.109 1.00 0.00 C ATOM 691 C TRP A 48 -8.978 12.776 3.452 1.00 0.00 C ATOM 692 O TRP A 48 -10.012 12.658 2.796 1.00 0.00 O ATOM 693 CB TRP A 48 -7.325 11.107 4.313 1.00 0.00 C ATOM 694 CG TRP A 48 -8.428 10.236 4.832 1.00 0.00 C ATOM 695 CD1 TRP A 48 -8.946 10.234 6.095 1.00 0.00 C ATOM 696 CD2 TRP A 48 -9.147 9.237 4.100 1.00 0.00 C ATOM 697 NE1 TRP A 48 -9.944 9.295 6.194 1.00 0.00 N ATOM 698 CE2 TRP A 48 -10.087 8.670 4.983 1.00 0.00 C ATOM 699 CE3 TRP A 48 -9.090 8.767 2.785 1.00 0.00 C ATOM 700 CZ2 TRP A 48 -10.960 7.658 4.592 1.00 0.00 C ATOM 701 CZ3 TRP A 48 -9.957 7.763 2.399 1.00 0.00 C ATOM 702 CH2 TRP A 48 -10.882 7.217 3.299 1.00 0.00 C ATOM 0 H TRP A 48 -5.861 12.856 3.357 1.00 0.00 H new ATOM 0 HA TRP A 48 -7.981 11.298 2.275 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -6.478 10.481 4.033 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -6.984 11.765 5.113 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -8.619 10.877 6.899 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -10.490 9.096 7.032 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -8.381 9.181 2.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -11.673 7.236 5.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -9.921 7.392 1.385 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -11.546 6.433 2.966 1.00 0.00 H new ATOM 713 N ASN A 49 -8.866 13.607 4.483 1.00 0.00 N ATOM 714 CA ASN A 49 -9.979 14.446 4.913 1.00 0.00 C ATOM 715 C ASN A 49 -10.608 15.166 3.724 1.00 0.00 C ATOM 716 O ASN A 49 -11.813 15.411 3.700 1.00 0.00 O ATOM 717 CB ASN A 49 -9.505 15.467 5.949 1.00 0.00 C ATOM 718 CG ASN A 49 -10.626 15.931 6.859 1.00 0.00 C ATOM 719 OD1 ASN A 49 -11.559 16.603 6.420 1.00 0.00 O ATOM 720 ND2 ASN A 49 -10.538 15.573 8.135 1.00 0.00 N ATOM 0 H ASN A 49 -8.016 13.718 5.036 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.733 13.802 5.366 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.710 15.027 6.551 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -9.077 16.328 5.437 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.262 15.856 8.795 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.746 15.015 8.455 1.00 0.00 H new ATOM 727 N ASN A 50 -9.781 15.503 2.738 1.00 0.00 N ATOM 728 CA ASN A 50 -10.256 16.195 1.546 1.00 0.00 C ATOM 729 C ASN A 50 -11.221 15.316 0.755 1.00 0.00 C ATOM 730 O ASN A 50 -12.300 15.760 0.360 1.00 0.00 O ATOM 731 CB ASN A 50 -9.075 16.599 0.661 1.00 0.00 C ATOM 732 CG ASN A 50 -8.538 17.975 1.007 1.00 0.00 C ATOM 733 OD1 ASN A 50 -9.072 18.991 0.563 1.00 0.00 O ATOM 734 ND2 ASN A 50 -7.476 18.013 1.803 1.00 0.00 N ATOM 0 H ASN A 50 -8.780 15.308 2.742 1.00 0.00 H new ATOM 0 HA ASN A 50 -10.787 17.092 1.864 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.277 15.864 0.766 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.386 16.585 -0.384 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.070 18.910 2.070 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.066 17.145 2.148 1.00 0.00 H new ATOM 741 N LEU A 51 -10.825 14.069 0.527 1.00 0.00 N ATOM 742 CA LEU A 51 -11.654 13.127 -0.217 1.00 0.00 C ATOM 743 C LEU A 51 -13.117 13.246 0.196 1.00 0.00 C ATOM 744 O LEU A 51 -13.427 13.699 1.297 1.00 0.00 O ATOM 745 CB LEU A 51 -11.163 11.696 0.010 1.00 0.00 C ATOM 746 CG LEU A 51 -9.856 11.316 -0.688 1.00 0.00 C ATOM 747 CD1 LEU A 51 -9.303 10.020 -0.116 1.00 0.00 C ATOM 748 CD2 LEU A 51 -10.071 11.189 -2.189 1.00 0.00 C ATOM 0 H LEU A 51 -9.935 13.686 0.847 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.574 13.368 -1.277 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.037 11.542 1.082 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.942 11.009 -0.322 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.128 12.108 -0.511 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.373 9.765 -0.625 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.111 10.145 0.950 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -10.028 9.219 -0.263 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.131 10.918 -2.670 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.815 10.417 -2.386 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -10.422 12.141 -2.588 1.00 0.00 H new ATOM 760 N ASN A 52 -14.014 12.834 -0.694 1.00 0.00 N ATOM 761 CA ASN A 52 -15.445 12.893 -0.422 1.00 0.00 C ATOM 762 C ASN A 52 -15.986 11.514 -0.054 1.00 0.00 C ATOM 763 O ASN A 52 -15.385 10.492 -0.384 1.00 0.00 O ATOM 764 CB ASN A 52 -16.195 13.439 -1.638 1.00 0.00 C ATOM 765 CG ASN A 52 -17.700 13.323 -1.490 1.00 0.00 C ATOM 766 OD1 ASN A 52 -18.256 13.623 -0.433 1.00 0.00 O ATOM 767 ND2 ASN A 52 -18.366 12.885 -2.552 1.00 0.00 N ATOM 0 H ASN A 52 -13.775 12.455 -1.610 1.00 0.00 H new ATOM 0 HA ASN A 52 -15.601 13.563 0.423 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -15.927 14.485 -1.787 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -15.878 12.898 -2.530 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -19.380 12.785 -2.512 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -17.863 12.648 -3.407 1.00 0.00 H new ATOM 774 N ASP A 53 -17.124 11.495 0.630 1.00 0.00 N ATOM 775 CA ASP A 53 -17.748 10.243 1.042 1.00 0.00 C ATOM 776 C ASP A 53 -17.858 9.278 -0.135 1.00 0.00 C ATOM 777 O ASP A 53 -17.796 8.061 0.039 1.00 0.00 O ATOM 778 CB ASP A 53 -19.134 10.508 1.631 1.00 0.00 C ATOM 779 CG ASP A 53 -20.169 10.809 0.564 1.00 0.00 C ATOM 780 OD1 ASP A 53 -20.300 11.990 0.182 1.00 0.00 O ATOM 781 OD2 ASP A 53 -20.848 9.863 0.112 1.00 0.00 O ATOM 0 H ASP A 53 -17.634 12.333 0.911 1.00 0.00 H new ATOM 0 HA ASP A 53 -17.119 9.787 1.806 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -19.453 9.640 2.207 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -19.077 11.347 2.324 1.00 0.00 H new ATOM 786 N SER A 54 -18.022 9.830 -1.333 1.00 0.00 N ATOM 787 CA SER A 54 -18.146 9.019 -2.538 1.00 0.00 C ATOM 788 C SER A 54 -16.783 8.495 -2.983 1.00 0.00 C ATOM 789 O SER A 54 -16.684 7.427 -3.586 1.00 0.00 O ATOM 790 CB SER A 54 -18.784 9.834 -3.665 1.00 0.00 C ATOM 791 OG SER A 54 -19.180 8.998 -4.738 1.00 0.00 O ATOM 0 H SER A 54 -18.072 10.836 -1.495 1.00 0.00 H new ATOM 0 HA SER A 54 -18.787 8.168 -2.308 1.00 0.00 H new ATOM 0 HB2 SER A 54 -19.650 10.374 -3.282 1.00 0.00 H new ATOM 0 HB3 SER A 54 -18.076 10.581 -4.024 1.00 0.00 H new ATOM 0 HG SER A 54 -19.586 9.543 -5.444 1.00 0.00 H new ATOM 797 N GLU A 55 -15.736 9.257 -2.680 1.00 0.00 N ATOM 798 CA GLU A 55 -14.380 8.870 -3.049 1.00 0.00 C ATOM 799 C GLU A 55 -13.849 7.787 -2.115 1.00 0.00 C ATOM 800 O GLU A 55 -13.103 6.901 -2.532 1.00 0.00 O ATOM 801 CB GLU A 55 -13.452 10.087 -3.016 1.00 0.00 C ATOM 802 CG GLU A 55 -13.670 11.050 -4.172 1.00 0.00 C ATOM 803 CD GLU A 55 -13.176 10.496 -5.494 1.00 0.00 C ATOM 804 OE1 GLU A 55 -12.345 9.564 -5.474 1.00 0.00 O ATOM 805 OE2 GLU A 55 -13.621 10.994 -6.549 1.00 0.00 O ATOM 0 H GLU A 55 -15.801 10.144 -2.181 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.407 8.469 -4.062 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.599 10.620 -2.077 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -12.417 9.745 -3.029 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -14.732 11.280 -4.253 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -13.156 11.988 -3.961 1.00 0.00 H new ATOM 812 N LYS A 56 -14.238 7.866 -0.847 1.00 0.00 N ATOM 813 CA LYS A 56 -13.804 6.893 0.149 1.00 0.00 C ATOM 814 C LYS A 56 -14.646 5.623 0.073 1.00 0.00 C ATOM 815 O LYS A 56 -14.236 4.568 0.555 1.00 0.00 O ATOM 816 CB LYS A 56 -13.895 7.495 1.553 1.00 0.00 C ATOM 817 CG LYS A 56 -13.125 8.795 1.709 1.00 0.00 C ATOM 818 CD LYS A 56 -13.349 9.414 3.079 1.00 0.00 C ATOM 819 CE LYS A 56 -12.456 10.627 3.294 1.00 0.00 C ATOM 820 NZ LYS A 56 -12.854 11.401 4.503 1.00 0.00 N ATOM 0 H LYS A 56 -14.853 8.594 -0.484 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.767 6.633 -0.062 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -14.943 7.672 1.796 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.518 6.770 2.275 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.061 8.609 1.562 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -13.435 9.498 0.936 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -14.394 9.707 3.181 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -13.149 8.672 3.852 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.420 10.302 3.395 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.503 11.273 2.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.222 12.219 4.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.834 11.733 4.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.785 10.792 5.343 1.00 0.00 H new ATOM 834 N GLN A 57 -15.821 5.734 -0.537 1.00 0.00 N ATOM 835 CA GLN A 57 -16.719 4.593 -0.676 1.00 0.00 C ATOM 836 C GLN A 57 -15.955 3.350 -1.120 1.00 0.00 C ATOM 837 O GLN A 57 -15.958 2.317 -0.449 1.00 0.00 O ATOM 838 CB GLN A 57 -17.828 4.910 -1.681 1.00 0.00 C ATOM 839 CG GLN A 57 -19.090 5.465 -1.039 1.00 0.00 C ATOM 840 CD GLN A 57 -19.988 4.379 -0.481 1.00 0.00 C ATOM 841 OE1 GLN A 57 -20.891 3.893 -1.163 1.00 0.00 O ATOM 842 NE2 GLN A 57 -19.744 3.991 0.765 1.00 0.00 N ATOM 0 H GLN A 57 -16.174 6.601 -0.943 1.00 0.00 H new ATOM 0 HA GLN A 57 -17.166 4.394 0.298 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -17.453 5.630 -2.408 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -18.079 4.003 -2.231 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -18.814 6.150 -0.237 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -19.644 6.045 -1.777 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -18.985 4.421 1.294 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -20.315 3.263 1.194 1.00 0.00 H new ATOM 851 N PRO A 58 -15.284 3.449 -2.277 1.00 0.00 N ATOM 852 CA PRO A 58 -14.502 2.341 -2.835 1.00 0.00 C ATOM 853 C PRO A 58 -13.248 2.047 -2.020 1.00 0.00 C ATOM 854 O PRO A 58 -12.578 1.038 -2.236 1.00 0.00 O ATOM 855 CB PRO A 58 -14.127 2.842 -4.232 1.00 0.00 C ATOM 856 CG PRO A 58 -14.154 4.328 -4.122 1.00 0.00 C ATOM 857 CD PRO A 58 -15.235 4.649 -3.128 1.00 0.00 C ATOM 0 HA PRO A 58 -15.063 1.407 -2.838 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -13.141 2.485 -4.529 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -14.834 2.488 -4.982 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -13.190 4.712 -3.788 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -14.363 4.787 -5.088 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -14.997 5.542 -2.550 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -16.191 4.833 -3.619 1.00 0.00 H new ATOM 865 N TYR A 59 -12.937 2.935 -1.082 1.00 0.00 N ATOM 866 CA TYR A 59 -11.761 2.771 -0.235 1.00 0.00 C ATOM 867 C TYR A 59 -12.130 2.102 1.086 1.00 0.00 C ATOM 868 O TYR A 59 -11.298 1.451 1.718 1.00 0.00 O ATOM 869 CB TYR A 59 -11.107 4.127 0.033 1.00 0.00 C ATOM 870 CG TYR A 59 -10.169 4.575 -1.066 1.00 0.00 C ATOM 871 CD1 TYR A 59 -9.065 3.809 -1.418 1.00 0.00 C ATOM 872 CD2 TYR A 59 -10.389 5.763 -1.752 1.00 0.00 C ATOM 873 CE1 TYR A 59 -8.205 4.215 -2.421 1.00 0.00 C ATOM 874 CE2 TYR A 59 -9.536 6.175 -2.757 1.00 0.00 C ATOM 875 CZ TYR A 59 -8.445 5.398 -3.087 1.00 0.00 C ATOM 876 OH TYR A 59 -7.592 5.805 -4.088 1.00 0.00 O ATOM 0 H TYR A 59 -13.482 3.775 -0.889 1.00 0.00 H new ATOM 0 HA TYR A 59 -11.053 2.131 -0.760 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.887 4.878 0.162 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -10.555 4.076 0.972 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.875 2.881 -0.899 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -11.241 6.375 -1.495 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.350 3.609 -2.681 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.722 7.100 -3.282 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.993 5.067 -4.328 1.00 0.00 H new ATOM 886 N ILE A 60 -13.383 2.268 1.495 1.00 0.00 N ATOM 887 CA ILE A 60 -13.864 1.679 2.739 1.00 0.00 C ATOM 888 C ILE A 60 -14.315 0.238 2.527 1.00 0.00 C ATOM 889 O ILE A 60 -14.180 -0.604 3.415 1.00 0.00 O ATOM 890 CB ILE A 60 -15.033 2.489 3.330 1.00 0.00 C ATOM 891 CG1 ILE A 60 -14.581 3.913 3.660 1.00 0.00 C ATOM 892 CG2 ILE A 60 -15.581 1.800 4.571 1.00 0.00 C ATOM 893 CD1 ILE A 60 -15.726 4.871 3.898 1.00 0.00 C ATOM 0 H ILE A 60 -14.083 2.805 0.984 1.00 0.00 H new ATOM 0 HA ILE A 60 -13.029 1.696 3.440 1.00 0.00 H new ATOM 0 HB ILE A 60 -15.829 2.544 2.587 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -13.949 3.888 4.547 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -13.967 4.289 2.842 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -16.407 2.385 4.977 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -15.937 0.804 4.307 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -14.793 1.717 5.319 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -15.331 5.861 4.127 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -16.347 4.926 3.004 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -16.327 4.518 4.736 1.00 0.00 H new ATOM 905 N THR A 61 -14.850 -0.041 1.343 1.00 0.00 N ATOM 906 CA THR A 61 -15.321 -1.380 1.013 1.00 0.00 C ATOM 907 C THR A 61 -14.169 -2.379 0.999 1.00 0.00 C ATOM 908 O THR A 61 -14.283 -3.481 1.537 1.00 0.00 O ATOM 909 CB THR A 61 -16.025 -1.407 -0.357 1.00 0.00 C ATOM 910 OG1 THR A 61 -17.012 -0.372 -0.420 1.00 0.00 O ATOM 911 CG2 THR A 61 -16.682 -2.757 -0.602 1.00 0.00 C ATOM 0 H THR A 61 -14.968 0.643 0.596 1.00 0.00 H new ATOM 0 HA THR A 61 -16.036 -1.663 1.786 1.00 0.00 H new ATOM 0 HB THR A 61 -15.275 -1.241 -1.130 1.00 0.00 H new ATOM 0 HG1 THR A 61 -16.569 0.497 -0.521 1.00 0.00 H new ATOM 0 HG21 THR A 61 -17.173 -2.752 -1.575 1.00 0.00 H new ATOM 0 HG22 THR A 61 -15.924 -3.540 -0.582 1.00 0.00 H new ATOM 0 HG23 THR A 61 -17.421 -2.948 0.176 1.00 0.00 H new ATOM 919 N LYS A 62 -13.060 -1.988 0.381 1.00 0.00 N ATOM 920 CA LYS A 62 -11.886 -2.848 0.298 1.00 0.00 C ATOM 921 C LYS A 62 -11.365 -3.193 1.690 1.00 0.00 C ATOM 922 O LYS A 62 -11.228 -4.365 2.038 1.00 0.00 O ATOM 923 CB LYS A 62 -10.784 -2.165 -0.516 1.00 0.00 C ATOM 924 CG LYS A 62 -9.799 -3.137 -1.142 1.00 0.00 C ATOM 925 CD LYS A 62 -8.572 -2.419 -1.678 1.00 0.00 C ATOM 926 CE LYS A 62 -7.446 -3.394 -1.988 1.00 0.00 C ATOM 927 NZ LYS A 62 -6.866 -3.983 -0.749 1.00 0.00 N ATOM 0 H LYS A 62 -12.950 -1.080 -0.070 1.00 0.00 H new ATOM 0 HA LYS A 62 -12.178 -3.772 -0.201 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.243 -1.568 -1.304 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.241 -1.476 0.130 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.495 -3.876 -0.401 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -10.287 -3.680 -1.952 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.837 -1.869 -2.581 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.229 -1.687 -0.947 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.822 -4.192 -2.628 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.664 -2.880 -2.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.900 -3.622 -0.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.453 -3.720 0.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.839 -5.019 -0.837 1.00 0.00 H new ATOM 941 N ALA A 63 -11.077 -2.165 2.481 1.00 0.00 N ATOM 942 CA ALA A 63 -10.575 -2.360 3.835 1.00 0.00 C ATOM 943 C ALA A 63 -11.407 -3.393 4.586 1.00 0.00 C ATOM 944 O ALA A 63 -10.899 -4.102 5.453 1.00 0.00 O ATOM 945 CB ALA A 63 -10.565 -1.038 4.589 1.00 0.00 C ATOM 0 H ALA A 63 -11.183 -1.188 2.207 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.554 -2.735 3.767 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.188 -1.198 5.599 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.922 -0.328 4.070 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.579 -0.640 4.639 1.00 0.00 H new ATOM 951 N ALA A 64 -12.690 -3.473 4.246 1.00 0.00 N ATOM 952 CA ALA A 64 -13.592 -4.421 4.888 1.00 0.00 C ATOM 953 C ALA A 64 -13.267 -5.853 4.476 1.00 0.00 C ATOM 954 O ALA A 64 -13.374 -6.780 5.279 1.00 0.00 O ATOM 955 CB ALA A 64 -15.037 -4.087 4.547 1.00 0.00 C ATOM 0 H ALA A 64 -13.127 -2.893 3.530 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.456 -4.341 5.967 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -15.700 -4.803 5.033 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -15.270 -3.081 4.896 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -15.177 -4.138 3.467 1.00 0.00 H new ATOM 961 N LYS A 65 -12.870 -6.027 3.220 1.00 0.00 N ATOM 962 CA LYS A 65 -12.529 -7.346 2.701 1.00 0.00 C ATOM 963 C LYS A 65 -11.214 -7.841 3.295 1.00 0.00 C ATOM 964 O LYS A 65 -10.988 -9.046 3.412 1.00 0.00 O ATOM 965 CB LYS A 65 -12.427 -7.305 1.174 1.00 0.00 C ATOM 966 CG LYS A 65 -13.689 -6.805 0.494 1.00 0.00 C ATOM 967 CD LYS A 65 -14.744 -7.895 0.404 1.00 0.00 C ATOM 968 CE LYS A 65 -15.695 -7.656 -0.759 1.00 0.00 C ATOM 969 NZ LYS A 65 -15.066 -7.990 -2.067 1.00 0.00 N ATOM 0 H LYS A 65 -12.776 -5.270 2.542 1.00 0.00 H new ATOM 0 HA LYS A 65 -13.321 -8.038 2.988 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -11.593 -6.663 0.891 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.198 -8.305 0.806 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -14.089 -5.955 1.047 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -13.447 -6.448 -0.507 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -14.259 -8.864 0.285 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -15.309 -7.934 1.335 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -16.593 -8.259 -0.623 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -16.009 -6.612 -0.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -15.787 -7.961 -2.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -14.318 -7.299 -2.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -14.653 -8.944 -2.020 1.00 0.00 H new ATOM 983 N LEU A 66 -10.350 -6.904 3.671 1.00 0.00 N ATOM 984 CA LEU A 66 -9.058 -7.245 4.256 1.00 0.00 C ATOM 985 C LEU A 66 -9.205 -7.604 5.731 1.00 0.00 C ATOM 986 O LEU A 66 -8.389 -8.340 6.287 1.00 0.00 O ATOM 987 CB LEU A 66 -8.081 -6.079 4.098 1.00 0.00 C ATOM 988 CG LEU A 66 -7.356 -5.987 2.754 1.00 0.00 C ATOM 989 CD1 LEU A 66 -6.206 -6.980 2.700 1.00 0.00 C ATOM 990 CD2 LEU A 66 -8.327 -6.229 1.608 1.00 0.00 C ATOM 0 H LEU A 66 -10.521 -5.902 3.581 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.666 -8.114 3.727 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -8.627 -5.149 4.258 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.333 -6.149 4.888 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.946 -4.982 2.651 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.702 -6.901 1.737 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.498 -6.761 3.499 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.593 -7.991 2.825 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -7.795 -6.160 0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.766 -7.222 1.706 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.117 -5.479 1.636 1.00 0.00 H new ATOM 1002 N LYS A 67 -10.253 -7.082 6.360 1.00 0.00 N ATOM 1003 CA LYS A 67 -10.510 -7.349 7.770 1.00 0.00 C ATOM 1004 C LYS A 67 -11.034 -8.768 7.968 1.00 0.00 C ATOM 1005 O LYS A 67 -10.683 -9.438 8.938 1.00 0.00 O ATOM 1006 CB LYS A 67 -11.518 -6.340 8.325 1.00 0.00 C ATOM 1007 CG LYS A 67 -12.188 -6.794 9.611 1.00 0.00 C ATOM 1008 CD LYS A 67 -13.450 -7.592 9.330 1.00 0.00 C ATOM 1009 CE LYS A 67 -14.458 -7.457 10.462 1.00 0.00 C ATOM 1010 NZ LYS A 67 -13.907 -7.945 11.756 1.00 0.00 N ATOM 0 H LYS A 67 -10.938 -6.471 5.915 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.569 -7.249 8.311 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.010 -5.393 8.505 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.284 -6.153 7.572 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.493 -7.402 10.189 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.434 -5.925 10.221 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.899 -7.248 8.398 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.194 -8.643 9.192 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -14.752 -6.412 10.563 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.359 -8.019 10.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -14.092 -7.242 12.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -14.362 -8.845 12.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.881 -8.090 11.664 1.00 0.00 H new ATOM 1024 N GLU A 68 -11.874 -9.219 7.041 1.00 0.00 N ATOM 1025 CA GLU A 68 -12.445 -10.558 7.115 1.00 0.00 C ATOM 1026 C GLU A 68 -11.346 -11.616 7.166 1.00 0.00 C ATOM 1027 O GLU A 68 -11.393 -12.539 7.980 1.00 0.00 O ATOM 1028 CB GLU A 68 -13.358 -10.815 5.915 1.00 0.00 C ATOM 1029 CG GLU A 68 -14.791 -10.358 6.132 1.00 0.00 C ATOM 1030 CD GLU A 68 -15.428 -10.994 7.352 1.00 0.00 C ATOM 1031 OE1 GLU A 68 -15.718 -12.208 7.303 1.00 0.00 O ATOM 1032 OE2 GLU A 68 -15.637 -10.280 8.354 1.00 0.00 O ATOM 0 H GLU A 68 -12.174 -8.677 6.231 1.00 0.00 H new ATOM 0 HA GLU A 68 -13.033 -10.624 8.031 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.950 -10.304 5.043 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.356 -11.881 5.689 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -14.810 -9.274 6.241 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -15.383 -10.600 5.250 1.00 0.00 H new ATOM 1039 N LYS A 69 -10.356 -11.475 6.291 1.00 0.00 N ATOM 1040 CA LYS A 69 -9.243 -12.416 6.235 1.00 0.00 C ATOM 1041 C LYS A 69 -8.425 -12.367 7.521 1.00 0.00 C ATOM 1042 O LYS A 69 -8.218 -13.389 8.176 1.00 0.00 O ATOM 1043 CB LYS A 69 -8.346 -12.105 5.035 1.00 0.00 C ATOM 1044 CG LYS A 69 -8.880 -12.648 3.720 1.00 0.00 C ATOM 1045 CD LYS A 69 -7.847 -12.537 2.611 1.00 0.00 C ATOM 1046 CE LYS A 69 -8.495 -12.605 1.237 1.00 0.00 C ATOM 1047 NZ LYS A 69 -7.540 -13.073 0.195 1.00 0.00 N ATOM 0 H LYS A 69 -10.302 -10.717 5.610 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.653 -13.420 6.124 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.227 -11.025 4.951 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.355 -12.522 5.215 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.169 -13.691 3.847 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.779 -12.100 3.437 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.303 -11.598 2.712 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.117 -13.340 2.710 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.352 -13.278 1.273 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.874 -11.620 0.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.020 -13.105 -0.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.734 -12.417 0.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.197 -14.024 0.440 1.00 0.00 H new ATOM 1061 N TYR A 70 -7.962 -11.174 7.878 1.00 0.00 N ATOM 1062 CA TYR A 70 -7.165 -10.993 9.085 1.00 0.00 C ATOM 1063 C TYR A 70 -7.735 -11.809 10.242 1.00 0.00 C ATOM 1064 O TYR A 70 -7.037 -12.625 10.843 1.00 0.00 O ATOM 1065 CB TYR A 70 -7.111 -9.514 9.469 1.00 0.00 C ATOM 1066 CG TYR A 70 -6.628 -9.271 10.881 1.00 0.00 C ATOM 1067 CD1 TYR A 70 -5.277 -9.345 11.197 1.00 0.00 C ATOM 1068 CD2 TYR A 70 -7.523 -8.971 11.900 1.00 0.00 C ATOM 1069 CE1 TYR A 70 -4.832 -9.125 12.486 1.00 0.00 C ATOM 1070 CE2 TYR A 70 -7.087 -8.748 13.192 1.00 0.00 C ATOM 1071 CZ TYR A 70 -5.740 -8.826 13.480 1.00 0.00 C ATOM 1072 OH TYR A 70 -5.301 -8.607 14.765 1.00 0.00 O ATOM 0 H TYR A 70 -8.125 -10.318 7.348 1.00 0.00 H new ATOM 0 HA TYR A 70 -6.154 -11.345 8.878 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -6.454 -8.991 8.774 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -8.105 -9.081 9.355 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -4.563 -9.579 10.421 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -8.578 -8.911 11.678 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.778 -9.187 12.714 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -7.797 -8.514 13.972 1.00 0.00 H new ATOM 0 HH TYR A 70 -6.067 -8.407 15.343 1.00 0.00 H new ATOM 1082 N GLU A 71 -9.009 -11.583 10.545 1.00 0.00 N ATOM 1083 CA GLU A 71 -9.674 -12.297 11.629 1.00 0.00 C ATOM 1084 C GLU A 71 -9.537 -13.806 11.451 1.00 0.00 C ATOM 1085 O GLU A 71 -9.337 -14.542 12.418 1.00 0.00 O ATOM 1086 CB GLU A 71 -11.153 -11.912 11.692 1.00 0.00 C ATOM 1087 CG GLU A 71 -11.399 -10.533 12.282 1.00 0.00 C ATOM 1088 CD GLU A 71 -11.539 -10.561 13.792 1.00 0.00 C ATOM 1089 OE1 GLU A 71 -12.529 -11.139 14.286 1.00 0.00 O ATOM 1090 OE2 GLU A 71 -10.656 -10.005 14.479 1.00 0.00 O ATOM 0 H GLU A 71 -9.601 -10.912 10.056 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.193 -12.014 12.565 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.572 -11.948 10.686 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.688 -12.653 12.287 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.575 -9.873 12.009 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -12.304 -10.111 11.845 1.00 0.00 H new ATOM 1097 N LYS A 72 -9.647 -14.261 10.208 1.00 0.00 N ATOM 1098 CA LYS A 72 -9.535 -15.682 9.900 1.00 0.00 C ATOM 1099 C LYS A 72 -8.121 -16.188 10.169 1.00 0.00 C ATOM 1100 O LYS A 72 -7.885 -17.394 10.231 1.00 0.00 O ATOM 1101 CB LYS A 72 -9.910 -15.940 8.439 1.00 0.00 C ATOM 1102 CG LYS A 72 -11.407 -15.917 8.182 1.00 0.00 C ATOM 1103 CD LYS A 72 -11.737 -16.370 6.770 1.00 0.00 C ATOM 1104 CE LYS A 72 -11.602 -17.878 6.623 1.00 0.00 C ATOM 1105 NZ LYS A 72 -12.720 -18.603 7.288 1.00 0.00 N ATOM 0 H LYS A 72 -9.814 -13.666 9.397 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.225 -16.223 10.547 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.431 -15.189 7.811 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.513 -16.909 8.136 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.910 -16.565 8.900 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -11.789 -14.908 8.340 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -12.754 -16.068 6.518 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.073 -15.873 6.063 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.579 -18.139 5.565 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.654 -18.201 7.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.697 -19.605 7.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.618 -18.526 8.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.627 -18.184 6.997 1.00 0.00 H new ATOM 1119 N ASP A 73 -7.186 -15.258 10.331 1.00 0.00 N ATOM 1120 CA ASP A 73 -5.796 -15.610 10.596 1.00 0.00 C ATOM 1121 C ASP A 73 -5.505 -15.582 12.094 1.00 0.00 C ATOM 1122 O ASP A 73 -5.022 -16.561 12.662 1.00 0.00 O ATOM 1123 CB ASP A 73 -4.856 -14.652 9.863 1.00 0.00 C ATOM 1124 CG ASP A 73 -4.526 -15.124 8.461 1.00 0.00 C ATOM 1125 OD1 ASP A 73 -3.895 -16.193 8.329 1.00 0.00 O ATOM 1126 OD2 ASP A 73 -4.898 -14.424 7.496 1.00 0.00 O ATOM 0 H ASP A 73 -7.365 -14.255 10.283 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.627 -16.623 10.230 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.315 -13.665 9.812 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -3.934 -14.545 10.434 1.00 0.00 H new ATOM 1131 N VAL A 74 -5.801 -14.451 12.728 1.00 0.00 N ATOM 1132 CA VAL A 74 -5.571 -14.295 14.159 1.00 0.00 C ATOM 1133 C VAL A 74 -6.315 -15.362 14.955 1.00 0.00 C ATOM 1134 O VAL A 74 -5.821 -15.849 15.971 1.00 0.00 O ATOM 1135 CB VAL A 74 -6.013 -12.903 14.650 1.00 0.00 C ATOM 1136 CG1 VAL A 74 -4.937 -11.869 14.361 1.00 0.00 C ATOM 1137 CG2 VAL A 74 -7.333 -12.506 14.005 1.00 0.00 C ATOM 0 H VAL A 74 -6.200 -13.630 12.273 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.499 -14.406 14.321 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.160 -12.947 15.729 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.267 -10.892 14.715 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.017 -12.149 14.873 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.755 -11.824 13.287 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.631 -11.520 14.363 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -7.215 -12.479 12.922 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -8.100 -13.234 14.268 1.00 0.00 H new ATOM 1147 N ALA A 75 -7.505 -15.721 14.485 1.00 0.00 N ATOM 1148 CA ALA A 75 -8.316 -16.733 15.151 1.00 0.00 C ATOM 1149 C ALA A 75 -7.743 -18.128 14.929 1.00 0.00 C ATOM 1150 O ALA A 75 -7.721 -18.953 15.844 1.00 0.00 O ATOM 1151 CB ALA A 75 -9.754 -16.665 14.657 1.00 0.00 C ATOM 0 H ALA A 75 -7.929 -15.326 13.646 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.301 -16.529 16.222 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -10.349 -17.426 15.162 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.167 -15.679 14.873 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -9.778 -16.841 13.582 1.00 0.00 H new ATOM 1157 N ASP A 76 -7.282 -18.387 13.711 1.00 0.00 N ATOM 1158 CA ASP A 76 -6.709 -19.684 13.369 1.00 0.00 C ATOM 1159 C ASP A 76 -5.287 -19.808 13.907 1.00 0.00 C ATOM 1160 O ASP A 76 -4.733 -20.905 13.979 1.00 0.00 O ATOM 1161 CB ASP A 76 -6.713 -19.884 11.853 1.00 0.00 C ATOM 1162 CG ASP A 76 -6.456 -21.325 11.459 1.00 0.00 C ATOM 1163 OD1 ASP A 76 -5.428 -21.885 11.895 1.00 0.00 O ATOM 1164 OD2 ASP A 76 -7.282 -21.893 10.715 1.00 0.00 O ATOM 0 H ASP A 76 -7.294 -17.716 12.943 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.322 -20.458 13.831 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -7.675 -19.566 11.450 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -5.952 -19.246 11.403 1.00 0.00 H new ATOM 1169 N TYR A 77 -4.701 -18.676 14.282 1.00 0.00 N ATOM 1170 CA TYR A 77 -3.342 -18.658 14.810 1.00 0.00 C ATOM 1171 C TYR A 77 -3.285 -19.304 16.191 1.00 0.00 C ATOM 1172 O TYR A 77 -2.300 -19.951 16.546 1.00 0.00 O ATOM 1173 CB TYR A 77 -2.821 -17.221 14.885 1.00 0.00 C ATOM 1174 CG TYR A 77 -1.344 -17.128 15.192 1.00 0.00 C ATOM 1175 CD1 TYR A 77 -0.855 -17.442 16.455 1.00 0.00 C ATOM 1176 CD2 TYR A 77 -0.436 -16.727 14.220 1.00 0.00 C ATOM 1177 CE1 TYR A 77 0.494 -17.357 16.740 1.00 0.00 C ATOM 1178 CE2 TYR A 77 0.915 -16.641 14.496 1.00 0.00 C ATOM 1179 CZ TYR A 77 1.375 -16.957 15.757 1.00 0.00 C ATOM 1180 OH TYR A 77 2.719 -16.872 16.037 1.00 0.00 O ATOM 0 H TYR A 77 -5.146 -17.760 14.230 1.00 0.00 H new ATOM 0 HA TYR A 77 -2.709 -19.233 14.134 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -3.018 -16.722 13.936 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -3.378 -16.681 15.651 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.542 -17.758 17.227 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -0.792 -16.478 13.231 1.00 0.00 H new ATOM 0 HE1 TYR A 77 0.857 -17.602 17.727 1.00 0.00 H new ATOM 0 HE2 TYR A 77 1.607 -16.328 13.728 1.00 0.00 H new ATOM 0 HH TYR A 77 3.031 -15.958 15.871 1.00 0.00 H new ATOM 1190 N LYS A 78 -4.349 -19.124 16.965 1.00 0.00 N ATOM 1191 CA LYS A 78 -4.424 -19.690 18.307 1.00 0.00 C ATOM 1192 C LYS A 78 -5.267 -20.961 18.315 1.00 0.00 C ATOM 1193 O LYS A 78 -6.496 -20.902 18.353 1.00 0.00 O ATOM 1194 CB LYS A 78 -5.014 -18.668 19.282 1.00 0.00 C ATOM 1195 CG LYS A 78 -4.054 -17.546 19.642 1.00 0.00 C ATOM 1196 CD LYS A 78 -4.798 -16.289 20.061 1.00 0.00 C ATOM 1197 CE LYS A 78 -5.202 -16.344 21.526 1.00 0.00 C ATOM 1198 NZ LYS A 78 -6.283 -15.368 21.840 1.00 0.00 N ATOM 0 H LYS A 78 -5.172 -18.590 16.686 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.412 -19.944 18.624 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.914 -18.238 18.844 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.318 -19.182 20.194 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.401 -17.871 20.452 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.415 -17.324 18.787 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.167 -15.417 19.889 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -5.687 -16.167 19.442 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -5.539 -17.351 21.772 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.333 -16.137 22.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.530 -15.436 22.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.953 -14.405 21.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.121 -15.581 21.263 1.00 0.00 H new ATOM 1212 N SER A 79 -4.598 -22.109 18.281 1.00 0.00 N ATOM 1213 CA SER A 79 -5.286 -23.395 18.283 1.00 0.00 C ATOM 1214 C SER A 79 -5.272 -24.018 19.675 1.00 0.00 C ATOM 1215 O SER A 79 -4.985 -25.204 19.835 1.00 0.00 O ATOM 1216 CB SER A 79 -4.634 -24.347 17.279 1.00 0.00 C ATOM 1217 OG SER A 79 -4.526 -23.745 16.000 1.00 0.00 O ATOM 0 H SER A 79 -3.581 -22.175 18.252 1.00 0.00 H new ATOM 0 HA SER A 79 -6.322 -23.225 17.992 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.644 -24.633 17.634 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.223 -25.261 17.205 1.00 0.00 H new ATOM 0 HG SER A 79 -4.105 -24.373 15.377 1.00 0.00 H new ATOM 1223 N LYS A 80 -5.583 -23.208 20.682 1.00 0.00 N ATOM 1224 CA LYS A 80 -5.607 -23.677 22.062 1.00 0.00 C ATOM 1225 C LYS A 80 -6.670 -22.939 22.869 1.00 0.00 C ATOM 1226 O LYS A 80 -6.955 -21.769 22.615 1.00 0.00 O ATOM 1227 CB LYS A 80 -4.235 -23.486 22.712 1.00 0.00 C ATOM 1228 CG LYS A 80 -3.769 -22.040 22.736 1.00 0.00 C ATOM 1229 CD LYS A 80 -3.071 -21.658 21.442 1.00 0.00 C ATOM 1230 CE LYS A 80 -1.647 -22.190 21.399 1.00 0.00 C ATOM 1231 NZ LYS A 80 -0.892 -21.661 20.229 1.00 0.00 N ATOM 0 H LYS A 80 -5.822 -22.223 20.568 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.854 -24.739 22.054 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.270 -23.865 23.734 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.501 -24.087 22.175 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.624 -21.384 22.897 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -3.090 -21.889 23.575 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.633 -22.051 20.595 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.058 -20.573 21.341 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -1.129 -21.917 22.319 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -1.667 -23.279 21.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 0.074 -22.047 20.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.372 -21.943 19.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.850 -20.623 20.283 1.00 0.00 H new ATOM 1245 N GLY A 81 -7.253 -23.630 23.844 1.00 0.00 N ATOM 1246 CA GLY A 81 -8.278 -23.023 24.673 1.00 0.00 C ATOM 1247 C GLY A 81 -7.834 -22.857 26.113 1.00 0.00 C ATOM 1248 O GLY A 81 -7.441 -23.825 26.764 1.00 0.00 O ATOM 0 H GLY A 81 -7.034 -24.599 24.074 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.543 -22.049 24.263 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.178 -23.637 24.642 1.00 0.00 H new TER 1252 GLY A 81