USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 588 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 14 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 50 GLN : amide:sc= 0 X(o=0,f=0.047) 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= -0.0249 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 1.07 K(o=1.1,f=-7!) USER MOD Single : A 26 TYR OH : rot 180:sc= -0.487 USER MOD Single : A 29 ASN : amide:sc= -1.28 K(o=-1.3,f=-0.52) USER MOD Single : A 30 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.133) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.207 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -103:sc= 0.0259 (180deg=-1.01) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 78:sc= 0.214 USER MOD Single : A 44 THR OG1 : rot -57:sc= -0.0593 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 87:sc= 0.854 USER MOD Single : A 56 GLN : amide:sc= -0.045 K(o=-0.045,f=-1.2) USER MOD Single : A 57 ASN : amide:sc= -0.067 X(o=-0.067,f=-0.46) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 13:sc= 0.588 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.434 8.447 9.927 1.00 0.00 N ATOM 2 CA GLY A 1 -26.718 9.648 10.314 1.00 0.00 C ATOM 3 C GLY A 1 -26.425 9.695 11.801 1.00 0.00 C ATOM 4 O GLY A 1 -25.301 9.988 12.210 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.610 8.463 8.902 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.865 7.611 10.168 1.00 0.00 H new ATOM 0 H3 GLY A 1 -28.341 8.405 10.433 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.781 9.703 9.760 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.305 10.523 10.035 1.00 0.00 H new ATOM 8 N SER A 2 -27.439 9.409 12.611 1.00 0.00 N ATOM 9 CA SER A 2 -27.286 9.425 14.061 1.00 0.00 C ATOM 10 C SER A 2 -27.829 8.140 14.679 1.00 0.00 C ATOM 11 O SER A 2 -27.174 7.513 15.511 1.00 0.00 O ATOM 12 CB SER A 2 -28.006 10.636 14.658 1.00 0.00 C ATOM 13 OG SER A 2 -27.325 11.839 14.345 1.00 0.00 O ATOM 0 H SER A 2 -28.375 9.164 12.288 1.00 0.00 H new ATOM 0 HA SER A 2 -26.222 9.496 14.289 1.00 0.00 H new ATOM 0 HB2 SER A 2 -29.026 10.682 14.276 1.00 0.00 H new ATOM 0 HB3 SER A 2 -28.076 10.525 15.740 1.00 0.00 H new ATOM 0 HG SER A 2 -27.806 12.598 14.736 1.00 0.00 H new ATOM 19 N SER A 3 -29.033 7.756 14.267 1.00 0.00 N ATOM 20 CA SER A 3 -29.668 6.549 14.782 1.00 0.00 C ATOM 21 C SER A 3 -30.366 5.782 13.662 1.00 0.00 C ATOM 22 O SER A 3 -30.586 6.313 12.575 1.00 0.00 O ATOM 23 CB SER A 3 -30.676 6.905 15.877 1.00 0.00 C ATOM 24 OG SER A 3 -31.959 7.151 15.328 1.00 0.00 O ATOM 0 H SER A 3 -29.588 8.263 13.578 1.00 0.00 H new ATOM 0 HA SER A 3 -28.892 5.912 15.206 1.00 0.00 H new ATOM 0 HB2 SER A 3 -30.736 6.091 16.599 1.00 0.00 H new ATOM 0 HB3 SER A 3 -30.333 7.787 16.418 1.00 0.00 H new ATOM 0 HG SER A 3 -32.585 7.375 16.048 1.00 0.00 H new ATOM 30 N GLY A 4 -30.712 4.528 13.939 1.00 0.00 N ATOM 31 CA GLY A 4 -31.380 3.707 12.946 1.00 0.00 C ATOM 32 C GLY A 4 -30.432 3.204 11.876 1.00 0.00 C ATOM 33 O GLY A 4 -30.853 2.884 10.764 1.00 0.00 O ATOM 0 H GLY A 4 -30.542 4.067 14.833 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -31.850 2.856 13.439 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -32.177 4.285 12.478 1.00 0.00 H new ATOM 37 N SER A 5 -29.148 3.134 12.211 1.00 0.00 N ATOM 38 CA SER A 5 -28.136 2.671 11.268 1.00 0.00 C ATOM 39 C SER A 5 -27.566 1.324 11.701 1.00 0.00 C ATOM 40 O SER A 5 -27.099 1.169 12.830 1.00 0.00 O ATOM 41 CB SER A 5 -27.010 3.700 11.149 1.00 0.00 C ATOM 42 OG SER A 5 -25.987 3.239 10.284 1.00 0.00 O ATOM 0 H SER A 5 -28.783 3.392 13.128 1.00 0.00 H new ATOM 0 HA SER A 5 -28.611 2.549 10.294 1.00 0.00 H new ATOM 0 HB2 SER A 5 -27.411 4.641 10.773 1.00 0.00 H new ATOM 0 HB3 SER A 5 -26.593 3.903 12.135 1.00 0.00 H new ATOM 0 HG SER A 5 -25.280 3.915 10.224 1.00 0.00 H new ATOM 48 N SER A 6 -27.607 0.352 10.796 1.00 0.00 N ATOM 49 CA SER A 6 -27.098 -0.984 11.085 1.00 0.00 C ATOM 50 C SER A 6 -25.658 -0.920 11.583 1.00 0.00 C ATOM 51 O SER A 6 -25.268 -1.659 12.487 1.00 0.00 O ATOM 52 CB SER A 6 -27.179 -1.864 9.836 1.00 0.00 C ATOM 53 OG SER A 6 -26.175 -1.516 8.900 1.00 0.00 O ATOM 0 H SER A 6 -27.987 0.464 9.856 1.00 0.00 H new ATOM 0 HA SER A 6 -27.716 -1.420 11.869 1.00 0.00 H new ATOM 0 HB2 SER A 6 -27.070 -2.911 10.118 1.00 0.00 H new ATOM 0 HB3 SER A 6 -28.162 -1.758 9.376 1.00 0.00 H new ATOM 0 HG SER A 6 -26.248 -2.094 8.112 1.00 0.00 H new ATOM 59 N GLY A 7 -24.870 -0.031 10.985 1.00 0.00 N ATOM 60 CA GLY A 7 -23.481 0.113 11.381 1.00 0.00 C ATOM 61 C GLY A 7 -22.541 0.150 10.192 1.00 0.00 C ATOM 62 O GLY A 7 -21.854 -0.831 9.905 1.00 0.00 O ATOM 0 H GLY A 7 -25.169 0.591 10.234 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -23.365 1.028 11.961 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -23.204 -0.715 12.033 1.00 0.00 H new ATOM 66 N ARG A 8 -22.510 1.283 9.499 1.00 0.00 N ATOM 67 CA ARG A 8 -21.649 1.442 8.333 1.00 0.00 C ATOM 68 C ARG A 8 -20.521 2.429 8.621 1.00 0.00 C ATOM 69 O ARG A 8 -20.098 3.179 7.741 1.00 0.00 O ATOM 70 CB ARG A 8 -22.465 1.921 7.131 1.00 0.00 C ATOM 71 CG ARG A 8 -23.256 0.814 6.453 1.00 0.00 C ATOM 72 CD ARG A 8 -24.425 1.373 5.656 1.00 0.00 C ATOM 73 NE ARG A 8 -24.254 1.171 4.220 1.00 0.00 N ATOM 74 CZ ARG A 8 -23.505 1.955 3.452 1.00 0.00 C ATOM 75 NH1 ARG A 8 -22.861 2.987 3.980 1.00 0.00 N ATOM 76 NH2 ARG A 8 -23.399 1.707 2.153 1.00 0.00 N ATOM 0 H ARG A 8 -23.071 2.105 9.724 1.00 0.00 H new ATOM 0 HA ARG A 8 -21.210 0.471 8.102 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -23.153 2.701 7.457 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -21.792 2.374 6.403 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -22.600 0.249 5.791 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -23.627 0.117 7.205 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -25.348 0.894 5.982 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -24.528 2.438 5.863 1.00 0.00 H new ATOM 0 HE ARG A 8 -24.736 0.385 3.783 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -22.940 3.181 4.978 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -22.287 3.587 3.388 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -23.893 0.914 1.743 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -22.824 2.309 1.564 1.00 0.00 H new ATOM 90 N LYS A 9 -20.038 2.423 9.859 1.00 0.00 N ATOM 91 CA LYS A 9 -18.959 3.316 10.264 1.00 0.00 C ATOM 92 C LYS A 9 -17.679 2.533 10.539 1.00 0.00 C ATOM 93 O LYS A 9 -17.694 1.304 10.611 1.00 0.00 O ATOM 94 CB LYS A 9 -19.364 4.106 11.510 1.00 0.00 C ATOM 95 CG LYS A 9 -19.512 3.246 12.754 1.00 0.00 C ATOM 96 CD LYS A 9 -20.330 3.950 13.824 1.00 0.00 C ATOM 97 CE LYS A 9 -19.520 5.030 14.524 1.00 0.00 C ATOM 98 NZ LYS A 9 -18.657 4.467 15.599 1.00 0.00 N ATOM 0 H LYS A 9 -20.377 1.809 10.600 1.00 0.00 H new ATOM 0 HA LYS A 9 -18.770 4.011 9.446 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -18.618 4.878 11.699 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -20.308 4.615 11.316 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -19.991 2.303 12.491 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -18.526 3.004 13.149 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -21.217 4.394 13.372 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -20.677 3.221 14.557 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -18.899 5.549 13.794 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -20.196 5.771 14.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -18.121 5.235 16.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -19.251 3.994 16.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -17.995 3.779 15.188 1.00 0.00 H new ATOM 112 N LYS A 10 -16.572 3.253 10.693 1.00 0.00 N ATOM 113 CA LYS A 10 -15.284 2.626 10.963 1.00 0.00 C ATOM 114 C LYS A 10 -14.945 1.595 9.891 1.00 0.00 C ATOM 115 O LYS A 10 -14.328 0.569 10.178 1.00 0.00 O ATOM 116 CB LYS A 10 -15.295 1.961 12.341 1.00 0.00 C ATOM 117 CG LYS A 10 -15.254 2.950 13.494 1.00 0.00 C ATOM 118 CD LYS A 10 -15.139 2.240 14.832 1.00 0.00 C ATOM 119 CE LYS A 10 -14.579 3.161 15.905 1.00 0.00 C ATOM 120 NZ LYS A 10 -14.683 2.559 17.263 1.00 0.00 N ATOM 0 H LYS A 10 -16.542 4.271 10.635 1.00 0.00 H new ATOM 0 HA LYS A 10 -14.520 3.403 10.949 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -16.191 1.347 12.432 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -14.440 1.290 12.418 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -14.408 3.626 13.365 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -16.156 3.562 13.482 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -16.120 1.877 15.138 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -14.495 1.367 14.728 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -13.535 3.382 15.685 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -15.116 4.109 15.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -14.291 3.218 17.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -15.682 2.371 17.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -14.149 1.667 17.289 1.00 0.00 H new ATOM 134 N ARG A 11 -15.351 1.875 8.657 1.00 0.00 N ATOM 135 CA ARG A 11 -15.090 0.971 7.544 1.00 0.00 C ATOM 136 C ARG A 11 -13.592 0.859 7.274 1.00 0.00 C ATOM 137 O ARG A 11 -12.775 1.398 8.021 1.00 0.00 O ATOM 138 CB ARG A 11 -15.810 1.457 6.285 1.00 0.00 C ATOM 139 CG ARG A 11 -17.320 1.534 6.439 1.00 0.00 C ATOM 140 CD ARG A 11 -18.010 1.690 5.093 1.00 0.00 C ATOM 141 NE ARG A 11 -17.690 0.594 4.183 1.00 0.00 N ATOM 142 CZ ARG A 11 -17.836 0.666 2.865 1.00 0.00 C ATOM 143 NH1 ARG A 11 -18.294 1.778 2.305 1.00 0.00 N ATOM 144 NH2 ARG A 11 -17.523 -0.374 2.103 1.00 0.00 N ATOM 0 H ARG A 11 -15.862 2.721 8.403 1.00 0.00 H new ATOM 0 HA ARG A 11 -15.468 -0.015 7.814 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -15.430 2.443 6.017 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -15.571 0.788 5.459 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -17.683 0.633 6.933 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -17.579 2.376 7.082 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -19.089 1.734 5.242 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -17.712 2.636 4.640 1.00 0.00 H new ATOM 0 HE ARG A 11 -17.335 -0.275 4.582 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -18.535 2.580 2.887 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -18.405 1.831 1.292 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -17.170 -1.231 2.529 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -17.636 -0.317 1.091 1.00 0.00 H new ATOM 158 N ILE A 12 -13.240 0.155 6.204 1.00 0.00 N ATOM 159 CA ILE A 12 -11.841 -0.027 5.836 1.00 0.00 C ATOM 160 C ILE A 12 -11.112 1.311 5.765 1.00 0.00 C ATOM 161 O ILE A 12 -11.612 2.289 5.209 1.00 0.00 O ATOM 162 CB ILE A 12 -11.704 -0.745 4.480 1.00 0.00 C ATOM 163 CG1 ILE A 12 -12.433 -2.090 4.515 1.00 0.00 C ATOM 164 CG2 ILE A 12 -10.237 -0.941 4.130 1.00 0.00 C ATOM 165 CD1 ILE A 12 -11.913 -3.032 5.578 1.00 0.00 C ATOM 0 H ILE A 12 -13.904 -0.299 5.577 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.389 -0.644 6.612 1.00 0.00 H new ATOM 0 HB ILE A 12 -12.161 -0.125 3.709 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -13.495 -1.914 4.685 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -12.341 -2.569 3.540 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -10.157 -1.450 3.169 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.745 0.030 4.069 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -9.756 -1.544 4.901 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -12.476 -3.965 5.544 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.858 -3.238 5.397 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -12.030 -2.573 6.560 1.00 0.00 H new ATOM 177 N PRO A 13 -9.902 1.356 6.341 1.00 0.00 N ATOM 178 CA PRO A 13 -9.077 2.568 6.355 1.00 0.00 C ATOM 179 C PRO A 13 -8.338 2.781 5.038 1.00 0.00 C ATOM 180 O PRO A 13 -8.600 2.096 4.050 1.00 0.00 O ATOM 181 CB PRO A 13 -8.083 2.307 7.490 1.00 0.00 C ATOM 182 CG PRO A 13 -7.986 0.823 7.575 1.00 0.00 C ATOM 183 CD PRO A 13 -9.245 0.228 7.022 1.00 0.00 C ATOM 0 HA PRO A 13 -9.676 3.468 6.493 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.113 2.756 7.277 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -8.433 2.735 8.429 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -7.122 0.468 7.014 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -7.844 0.512 8.610 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.031 -0.586 6.330 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -9.874 -0.182 7.812 1.00 0.00 H new ATOM 191 N TYR A 14 -7.413 3.734 5.032 1.00 0.00 N ATOM 192 CA TYR A 14 -6.637 4.039 3.836 1.00 0.00 C ATOM 193 C TYR A 14 -7.538 4.564 2.722 1.00 0.00 C ATOM 194 O TYR A 14 -8.347 3.825 2.162 1.00 0.00 O ATOM 195 CB TYR A 14 -5.888 2.794 3.358 1.00 0.00 C ATOM 196 CG TYR A 14 -5.114 2.095 4.452 1.00 0.00 C ATOM 197 CD1 TYR A 14 -4.009 2.697 5.041 1.00 0.00 C ATOM 198 CD2 TYR A 14 -5.487 0.833 4.897 1.00 0.00 C ATOM 199 CE1 TYR A 14 -3.298 2.062 6.041 1.00 0.00 C ATOM 200 CE2 TYR A 14 -4.783 0.191 5.897 1.00 0.00 C ATOM 201 CZ TYR A 14 -3.689 0.810 6.466 1.00 0.00 C ATOM 202 OH TYR A 14 -2.985 0.173 7.462 1.00 0.00 O ATOM 0 H TYR A 14 -7.182 4.309 5.842 1.00 0.00 H new ATOM 0 HA TYR A 14 -5.914 4.814 4.090 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.603 2.094 2.926 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.200 3.078 2.562 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.701 3.678 4.711 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.342 0.345 4.453 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.441 2.544 6.487 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -5.087 -0.790 6.232 1.00 0.00 H new ATOM 0 HH TYR A 14 -3.392 -0.700 7.644 1.00 0.00 H new ATOM 212 N SER A 15 -7.390 5.847 2.405 1.00 0.00 N ATOM 213 CA SER A 15 -8.191 6.473 1.360 1.00 0.00 C ATOM 214 C SER A 15 -7.770 5.975 -0.019 1.00 0.00 C ATOM 215 O SER A 15 -6.732 5.331 -0.170 1.00 0.00 O ATOM 216 CB SER A 15 -8.055 7.996 1.429 1.00 0.00 C ATOM 217 OG SER A 15 -8.555 8.498 2.656 1.00 0.00 O ATOM 0 H SER A 15 -6.723 6.472 2.857 1.00 0.00 H new ATOM 0 HA SER A 15 -9.234 6.200 1.522 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.007 8.276 1.318 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.596 8.450 0.599 1.00 0.00 H new ATOM 0 HG SER A 15 -8.455 9.473 2.676 1.00 0.00 H new ATOM 223 N LYS A 16 -8.584 6.279 -1.024 1.00 0.00 N ATOM 224 CA LYS A 16 -8.298 5.865 -2.393 1.00 0.00 C ATOM 225 C LYS A 16 -6.924 6.359 -2.835 1.00 0.00 C ATOM 226 O LYS A 16 -6.222 5.681 -3.584 1.00 0.00 O ATOM 227 CB LYS A 16 -9.373 6.397 -3.343 1.00 0.00 C ATOM 228 CG LYS A 16 -9.549 7.904 -3.280 1.00 0.00 C ATOM 229 CD LYS A 16 -10.713 8.366 -4.141 1.00 0.00 C ATOM 230 CE LYS A 16 -10.670 9.868 -4.378 1.00 0.00 C ATOM 231 NZ LYS A 16 -10.942 10.635 -3.131 1.00 0.00 N ATOM 0 H LYS A 16 -9.448 6.811 -0.916 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.300 4.775 -2.425 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.117 6.112 -4.364 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.323 5.919 -3.107 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.716 8.209 -2.247 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.633 8.392 -3.612 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.688 7.845 -5.098 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.653 8.100 -3.657 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.691 10.146 -4.769 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.405 10.137 -5.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.904 11.654 -3.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.886 10.389 -2.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.226 10.398 -2.415 1.00 0.00 H new ATOM 245 N GLY A 17 -6.547 7.544 -2.365 1.00 0.00 N ATOM 246 CA GLY A 17 -5.257 8.106 -2.722 1.00 0.00 C ATOM 247 C GLY A 17 -4.103 7.369 -2.073 1.00 0.00 C ATOM 248 O GLY A 17 -3.000 7.328 -2.618 1.00 0.00 O ATOM 0 H GLY A 17 -7.111 8.124 -1.744 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.139 8.077 -3.805 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.227 9.155 -2.426 1.00 0.00 H new ATOM 252 N GLN A 18 -4.357 6.787 -0.905 1.00 0.00 N ATOM 253 CA GLN A 18 -3.328 6.050 -0.180 1.00 0.00 C ATOM 254 C GLN A 18 -3.180 4.636 -0.732 1.00 0.00 C ATOM 255 O GLN A 18 -2.073 4.188 -1.032 1.00 0.00 O ATOM 256 CB GLN A 18 -3.665 5.995 1.311 1.00 0.00 C ATOM 257 CG GLN A 18 -3.671 7.358 1.984 1.00 0.00 C ATOM 258 CD GLN A 18 -4.104 7.291 3.435 1.00 0.00 C ATOM 259 OE1 GLN A 18 -5.270 7.037 3.736 1.00 0.00 O ATOM 260 NE2 GLN A 18 -3.163 7.518 4.345 1.00 0.00 N ATOM 0 H GLN A 18 -5.265 6.811 -0.441 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.381 6.573 -0.312 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.644 5.533 1.437 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.942 5.353 1.815 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.673 7.792 1.927 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.340 8.025 1.440 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -2.208 7.725 4.051 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.395 7.485 5.338 1.00 0.00 H new ATOM 269 N LEU A 19 -4.302 3.938 -0.864 1.00 0.00 N ATOM 270 CA LEU A 19 -4.298 2.573 -1.381 1.00 0.00 C ATOM 271 C LEU A 19 -3.839 2.543 -2.835 1.00 0.00 C ATOM 272 O LEU A 19 -3.372 1.516 -3.327 1.00 0.00 O ATOM 273 CB LEU A 19 -5.693 1.958 -1.261 1.00 0.00 C ATOM 274 CG LEU A 19 -6.294 1.924 0.144 1.00 0.00 C ATOM 275 CD1 LEU A 19 -7.813 1.887 0.075 1.00 0.00 C ATOM 276 CD2 LEU A 19 -5.765 0.729 0.923 1.00 0.00 C ATOM 0 H LEU A 19 -5.226 4.294 -0.620 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.597 1.987 -0.787 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.370 2.513 -1.910 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.652 0.937 -1.641 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.996 2.833 0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.223 1.863 1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.175 2.775 -0.443 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.131 0.996 -0.467 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.204 0.722 1.921 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.031 -0.191 0.403 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.680 0.799 1.005 1.00 0.00 H new ATOM 288 N ARG A 20 -3.973 3.676 -3.516 1.00 0.00 N ATOM 289 CA ARG A 20 -3.571 3.779 -4.914 1.00 0.00 C ATOM 290 C ARG A 20 -2.092 3.445 -5.080 1.00 0.00 C ATOM 291 O ARG A 20 -1.698 2.792 -6.046 1.00 0.00 O ATOM 292 CB ARG A 20 -3.850 5.187 -5.444 1.00 0.00 C ATOM 293 CG ARG A 20 -3.268 5.444 -6.824 1.00 0.00 C ATOM 294 CD ARG A 20 -3.508 6.878 -7.272 1.00 0.00 C ATOM 295 NE ARG A 20 -4.705 7.000 -8.099 1.00 0.00 N ATOM 296 CZ ARG A 20 -5.004 8.085 -8.804 1.00 0.00 C ATOM 297 NH1 ARG A 20 -4.196 9.136 -8.784 1.00 0.00 N ATOM 298 NH2 ARG A 20 -6.112 8.120 -9.533 1.00 0.00 N ATOM 0 H ARG A 20 -4.357 4.535 -3.123 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.155 3.060 -5.488 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.928 5.346 -5.478 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.442 5.917 -4.745 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.197 5.240 -6.812 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.716 4.757 -7.543 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.605 7.520 -6.396 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.643 7.232 -7.832 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.347 6.208 -8.137 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.342 9.112 -8.226 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.428 9.968 -9.326 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.735 7.313 -9.552 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.340 8.954 -10.074 1.00 0.00 H new ATOM 312 N GLU A 21 -1.277 3.898 -4.132 1.00 0.00 N ATOM 313 CA GLU A 21 0.158 3.648 -4.175 1.00 0.00 C ATOM 314 C GLU A 21 0.483 2.252 -3.650 1.00 0.00 C ATOM 315 O GLU A 21 1.395 1.587 -4.143 1.00 0.00 O ATOM 316 CB GLU A 21 0.907 4.700 -3.355 1.00 0.00 C ATOM 317 CG GLU A 21 0.670 6.124 -3.830 1.00 0.00 C ATOM 318 CD GLU A 21 0.856 6.277 -5.327 1.00 0.00 C ATOM 319 OE1 GLU A 21 1.887 5.802 -5.848 1.00 0.00 O ATOM 320 OE2 GLU A 21 -0.028 6.873 -5.977 1.00 0.00 O ATOM 0 H GLU A 21 -1.587 4.440 -3.325 1.00 0.00 H new ATOM 0 HA GLU A 21 0.480 3.711 -5.214 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.603 4.619 -2.311 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.975 4.486 -3.394 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.341 6.430 -3.560 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.355 6.795 -3.312 1.00 0.00 H new ATOM 327 N LEU A 22 -0.269 1.814 -2.646 1.00 0.00 N ATOM 328 CA LEU A 22 -0.061 0.498 -2.052 1.00 0.00 C ATOM 329 C LEU A 22 -0.375 -0.607 -3.055 1.00 0.00 C ATOM 330 O LEU A 22 0.457 -1.476 -3.316 1.00 0.00 O ATOM 331 CB LEU A 22 -0.935 0.335 -0.807 1.00 0.00 C ATOM 332 CG LEU A 22 -0.622 1.272 0.360 1.00 0.00 C ATOM 333 CD1 LEU A 22 -1.794 1.331 1.327 1.00 0.00 C ATOM 334 CD2 LEU A 22 0.642 0.825 1.079 1.00 0.00 C ATOM 0 H LEU A 22 -1.028 2.351 -2.226 1.00 0.00 H new ATOM 0 HA LEU A 22 0.988 0.417 -1.766 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.976 0.482 -1.096 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.844 -0.693 -0.456 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.455 2.273 -0.038 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.553 2.003 2.151 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.678 1.699 0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.993 0.333 1.719 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.849 1.504 1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.504 -0.185 1.464 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.480 0.836 0.382 1.00 0.00 H new ATOM 346 N GLU A 23 -1.579 -0.566 -3.616 1.00 0.00 N ATOM 347 CA GLU A 23 -2.001 -1.564 -4.592 1.00 0.00 C ATOM 348 C GLU A 23 -0.995 -1.667 -5.735 1.00 0.00 C ATOM 349 O GLU A 23 -0.600 -2.763 -6.132 1.00 0.00 O ATOM 350 CB GLU A 23 -3.384 -1.216 -5.146 1.00 0.00 C ATOM 351 CG GLU A 23 -4.509 -1.421 -4.146 1.00 0.00 C ATOM 352 CD GLU A 23 -5.858 -0.988 -4.687 1.00 0.00 C ATOM 353 OE1 GLU A 23 -5.900 -0.443 -5.810 1.00 0.00 O ATOM 354 OE2 GLU A 23 -6.871 -1.193 -3.987 1.00 0.00 O ATOM 0 H GLU A 23 -2.279 0.147 -3.412 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.052 -2.529 -4.087 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.384 -0.176 -5.472 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.577 -1.827 -6.028 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.555 -2.474 -3.867 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.289 -0.860 -3.238 1.00 0.00 H new ATOM 361 N ARG A 24 -0.585 -0.516 -6.260 1.00 0.00 N ATOM 362 CA ARG A 24 0.373 -0.476 -7.358 1.00 0.00 C ATOM 363 C ARG A 24 1.673 -1.175 -6.972 1.00 0.00 C ATOM 364 O ARG A 24 2.140 -2.070 -7.676 1.00 0.00 O ATOM 365 CB ARG A 24 0.660 0.972 -7.759 1.00 0.00 C ATOM 366 CG ARG A 24 -0.318 1.527 -8.782 1.00 0.00 C ATOM 367 CD ARG A 24 0.350 2.540 -9.699 1.00 0.00 C ATOM 368 NE ARG A 24 1.098 1.895 -10.775 1.00 0.00 N ATOM 369 CZ ARG A 24 0.524 1.315 -11.823 1.00 0.00 C ATOM 370 NH1 ARG A 24 -0.797 1.300 -11.937 1.00 0.00 N ATOM 371 NH2 ARG A 24 1.273 0.749 -12.761 1.00 0.00 N ATOM 0 H ARG A 24 -0.901 0.400 -5.942 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.063 -1.002 -8.207 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.634 1.599 -6.868 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.670 1.034 -8.164 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.727 0.710 -9.377 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.156 1.997 -8.268 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.408 3.196 -10.127 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.023 3.168 -9.116 1.00 0.00 H new ATOM 0 HE ARG A 24 2.116 1.890 -10.719 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.376 1.735 -11.218 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.234 0.854 -12.743 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.289 0.759 -12.677 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.832 0.304 -13.566 1.00 0.00 H new ATOM 385 N GLU A 25 2.251 -0.761 -5.849 1.00 0.00 N ATOM 386 CA GLU A 25 3.497 -1.348 -5.370 1.00 0.00 C ATOM 387 C GLU A 25 3.338 -2.847 -5.138 1.00 0.00 C ATOM 388 O GLU A 25 4.247 -3.629 -5.418 1.00 0.00 O ATOM 389 CB GLU A 25 3.944 -0.664 -4.076 1.00 0.00 C ATOM 390 CG GLU A 25 4.891 0.503 -4.300 1.00 0.00 C ATOM 391 CD GLU A 25 4.461 1.390 -5.452 1.00 0.00 C ATOM 392 OE1 GLU A 25 4.720 1.018 -6.616 1.00 0.00 O ATOM 393 OE2 GLU A 25 3.866 2.456 -5.190 1.00 0.00 O ATOM 0 H GLU A 25 1.877 -0.022 -5.254 1.00 0.00 H new ATOM 0 HA GLU A 25 4.259 -1.196 -6.135 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.064 -0.309 -3.540 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.432 -1.399 -3.436 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.949 1.099 -3.389 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.893 0.121 -4.495 1.00 0.00 H new ATOM 400 N TYR A 26 2.178 -3.241 -4.624 1.00 0.00 N ATOM 401 CA TYR A 26 1.901 -4.646 -4.351 1.00 0.00 C ATOM 402 C TYR A 26 1.932 -5.467 -5.636 1.00 0.00 C ATOM 403 O TYR A 26 2.601 -6.497 -5.712 1.00 0.00 O ATOM 404 CB TYR A 26 0.540 -4.796 -3.669 1.00 0.00 C ATOM 405 CG TYR A 26 0.153 -6.232 -3.398 1.00 0.00 C ATOM 406 CD1 TYR A 26 0.887 -7.016 -2.517 1.00 0.00 C ATOM 407 CD2 TYR A 26 -0.948 -6.805 -4.023 1.00 0.00 C ATOM 408 CE1 TYR A 26 0.538 -8.329 -2.267 1.00 0.00 C ATOM 409 CE2 TYR A 26 -1.306 -8.116 -3.778 1.00 0.00 C ATOM 410 CZ TYR A 26 -0.560 -8.874 -2.900 1.00 0.00 C ATOM 411 OH TYR A 26 -0.912 -10.181 -2.653 1.00 0.00 O ATOM 0 H TYR A 26 1.415 -2.607 -4.388 1.00 0.00 H new ATOM 0 HA TYR A 26 2.677 -5.020 -3.684 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.553 -4.248 -2.727 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.224 -4.335 -4.295 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.746 -6.591 -2.019 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.534 -6.215 -4.712 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.121 -8.925 -1.580 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.165 -8.545 -4.271 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.708 -10.410 -3.177 1.00 0.00 H new ATOM 421 N ALA A 27 1.202 -5.003 -6.645 1.00 0.00 N ATOM 422 CA ALA A 27 1.146 -5.691 -7.929 1.00 0.00 C ATOM 423 C ALA A 27 2.547 -5.955 -8.471 1.00 0.00 C ATOM 424 O ALA A 27 2.778 -6.945 -9.163 1.00 0.00 O ATOM 425 CB ALA A 27 0.335 -4.881 -8.928 1.00 0.00 C ATOM 0 H ALA A 27 0.641 -4.153 -6.598 1.00 0.00 H new ATOM 0 HA ALA A 27 0.656 -6.653 -7.777 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.302 -5.407 -9.882 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.679 -4.749 -8.551 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.800 -3.905 -9.068 1.00 0.00 H new ATOM 431 N ALA A 28 3.477 -5.061 -8.153 1.00 0.00 N ATOM 432 CA ALA A 28 4.855 -5.197 -8.608 1.00 0.00 C ATOM 433 C ALA A 28 5.623 -6.191 -7.743 1.00 0.00 C ATOM 434 O ALA A 28 6.497 -6.906 -8.230 1.00 0.00 O ATOM 435 CB ALA A 28 5.550 -3.843 -8.602 1.00 0.00 C ATOM 0 H ALA A 28 3.301 -4.234 -7.582 1.00 0.00 H new ATOM 0 HA ALA A 28 4.838 -5.580 -9.628 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.578 -3.960 -8.944 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.022 -3.160 -9.267 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.548 -3.438 -7.590 1.00 0.00 H new ATOM 441 N ASN A 29 5.290 -6.230 -6.456 1.00 0.00 N ATOM 442 CA ASN A 29 5.950 -7.136 -5.523 1.00 0.00 C ATOM 443 C ASN A 29 5.106 -7.331 -4.267 1.00 0.00 C ATOM 444 O ASN A 29 4.697 -6.364 -3.624 1.00 0.00 O ATOM 445 CB ASN A 29 7.330 -6.595 -5.145 1.00 0.00 C ATOM 446 CG ASN A 29 7.354 -5.082 -5.054 1.00 0.00 C ATOM 447 OD1 ASN A 29 7.938 -4.407 -5.902 1.00 0.00 O ATOM 448 ND2 ASN A 29 6.716 -4.541 -4.022 1.00 0.00 N ATOM 0 H ASN A 29 4.568 -5.645 -6.036 1.00 0.00 H new ATOM 0 HA ASN A 29 6.068 -8.102 -6.014 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.633 -7.018 -4.187 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.061 -6.923 -5.884 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.697 -3.527 -3.909 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.245 -5.139 -3.343 1.00 0.00 H new ATOM 455 N LYS A 30 4.850 -8.589 -3.922 1.00 0.00 N ATOM 456 CA LYS A 30 4.057 -8.913 -2.743 1.00 0.00 C ATOM 457 C LYS A 30 4.720 -8.377 -1.477 1.00 0.00 C ATOM 458 O LYS A 30 4.048 -8.084 -0.489 1.00 0.00 O ATOM 459 CB LYS A 30 3.869 -10.428 -2.630 1.00 0.00 C ATOM 460 CG LYS A 30 3.305 -11.065 -3.888 1.00 0.00 C ATOM 461 CD LYS A 30 1.873 -10.625 -4.143 1.00 0.00 C ATOM 462 CE LYS A 30 1.192 -11.513 -5.173 1.00 0.00 C ATOM 463 NZ LYS A 30 1.987 -11.617 -6.428 1.00 0.00 N ATOM 0 H LYS A 30 5.181 -9.401 -4.443 1.00 0.00 H new ATOM 0 HA LYS A 30 3.082 -8.439 -2.850 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.829 -10.889 -2.398 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.203 -10.642 -1.794 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.926 -10.797 -4.742 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.342 -12.150 -3.795 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.311 -10.652 -3.209 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.865 -9.592 -4.490 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.044 -12.508 -4.753 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.204 -11.113 -5.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.412 -12.071 -7.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.266 -10.666 -6.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.839 -12.187 -6.253 1.00 0.00 H new ATOM 477 N PHE A 31 6.042 -8.251 -1.516 1.00 0.00 N ATOM 478 CA PHE A 31 6.796 -7.749 -0.373 1.00 0.00 C ATOM 479 C PHE A 31 7.750 -6.636 -0.796 1.00 0.00 C ATOM 480 O PHE A 31 8.478 -6.769 -1.780 1.00 0.00 O ATOM 481 CB PHE A 31 7.581 -8.886 0.286 1.00 0.00 C ATOM 482 CG PHE A 31 6.720 -10.041 0.712 1.00 0.00 C ATOM 483 CD1 PHE A 31 6.319 -10.998 -0.206 1.00 0.00 C ATOM 484 CD2 PHE A 31 6.312 -10.168 2.030 1.00 0.00 C ATOM 485 CE1 PHE A 31 5.527 -12.062 0.183 1.00 0.00 C ATOM 486 CE2 PHE A 31 5.520 -11.230 2.424 1.00 0.00 C ATOM 487 CZ PHE A 31 5.126 -12.178 1.500 1.00 0.00 C ATOM 0 H PHE A 31 6.614 -8.489 -2.326 1.00 0.00 H new ATOM 0 HA PHE A 31 6.087 -7.341 0.347 1.00 0.00 H new ATOM 0 HB2 PHE A 31 8.338 -9.245 -0.411 1.00 0.00 H new ATOM 0 HB3 PHE A 31 8.108 -8.496 1.157 1.00 0.00 H new ATOM 0 HD1 PHE A 31 6.629 -10.912 -1.237 1.00 0.00 H new ATOM 0 HD2 PHE A 31 6.616 -9.429 2.757 1.00 0.00 H new ATOM 0 HE1 PHE A 31 5.222 -12.802 -0.542 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.209 -11.319 3.455 1.00 0.00 H new ATOM 0 HZ PHE A 31 4.506 -13.008 1.806 1.00 0.00 H new ATOM 497 N ILE A 32 7.739 -5.539 -0.046 1.00 0.00 N ATOM 498 CA ILE A 32 8.603 -4.403 -0.342 1.00 0.00 C ATOM 499 C ILE A 32 9.820 -4.384 0.576 1.00 0.00 C ATOM 500 O ILE A 32 9.990 -5.265 1.419 1.00 0.00 O ATOM 501 CB ILE A 32 7.846 -3.069 -0.201 1.00 0.00 C ATOM 502 CG1 ILE A 32 7.423 -2.849 1.253 1.00 0.00 C ATOM 503 CG2 ILE A 32 6.634 -3.047 -1.120 1.00 0.00 C ATOM 504 CD1 ILE A 32 6.692 -1.544 1.478 1.00 0.00 C ATOM 0 H ILE A 32 7.141 -5.413 0.771 1.00 0.00 H new ATOM 0 HA ILE A 32 8.932 -4.517 -1.375 1.00 0.00 H new ATOM 0 HB ILE A 32 8.513 -2.258 -0.493 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.782 -3.674 1.565 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.308 -2.875 1.888 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.110 -2.098 -1.008 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.959 -3.163 -2.154 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.963 -3.865 -0.857 1.00 0.00 H new ATOM 0 HD11 ILE A 32 6.422 -1.455 2.530 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.338 -0.712 1.197 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.788 -1.524 0.869 1.00 0.00 H new ATOM 516 N THR A 33 10.666 -3.372 0.407 1.00 0.00 N ATOM 517 CA THR A 33 11.867 -3.236 1.220 1.00 0.00 C ATOM 518 C THR A 33 11.875 -1.911 1.974 1.00 0.00 C ATOM 519 O THR A 33 11.020 -1.054 1.752 1.00 0.00 O ATOM 520 CB THR A 33 13.142 -3.332 0.360 1.00 0.00 C ATOM 521 OG1 THR A 33 14.299 -3.371 1.202 1.00 0.00 O ATOM 522 CG2 THR A 33 13.241 -2.151 -0.593 1.00 0.00 C ATOM 0 H THR A 33 10.541 -2.635 -0.286 1.00 0.00 H new ATOM 0 HA THR A 33 11.858 -4.058 1.936 1.00 0.00 H new ATOM 0 HB THR A 33 13.090 -4.249 -0.227 1.00 0.00 H new ATOM 0 HG1 THR A 33 15.105 -3.434 0.648 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.149 -2.240 -1.190 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.373 -2.142 -1.252 1.00 0.00 H new ATOM 0 HG23 THR A 33 13.272 -1.224 -0.021 1.00 0.00 H new ATOM 530 N LYS A 34 12.846 -1.749 2.866 1.00 0.00 N ATOM 531 CA LYS A 34 12.967 -0.527 3.653 1.00 0.00 C ATOM 532 C LYS A 34 12.951 0.703 2.751 1.00 0.00 C ATOM 533 O LYS A 34 12.438 1.756 3.131 1.00 0.00 O ATOM 534 CB LYS A 34 14.256 -0.552 4.477 1.00 0.00 C ATOM 535 CG LYS A 34 14.057 -1.032 5.904 1.00 0.00 C ATOM 536 CD LYS A 34 14.121 -2.547 5.997 1.00 0.00 C ATOM 537 CE LYS A 34 15.542 -3.057 5.807 1.00 0.00 C ATOM 538 NZ LYS A 34 15.625 -4.536 5.962 1.00 0.00 N ATOM 0 H LYS A 34 13.561 -2.449 3.062 1.00 0.00 H new ATOM 0 HA LYS A 34 12.113 -0.472 4.328 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.981 -1.199 3.983 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.684 0.450 4.496 1.00 0.00 H new ATOM 0 HG2 LYS A 34 14.822 -0.595 6.546 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.093 -0.684 6.275 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.744 -2.869 6.968 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.471 -2.987 5.241 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.900 -2.775 4.817 1.00 0.00 H new ATOM 0 HE3 LYS A 34 16.200 -2.578 6.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.609 -4.845 5.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 15.307 -4.803 6.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.017 -4.994 5.253 1.00 0.00 H new ATOM 552 N ASP A 35 13.514 0.563 1.556 1.00 0.00 N ATOM 553 CA ASP A 35 13.562 1.663 0.600 1.00 0.00 C ATOM 554 C ASP A 35 12.159 2.036 0.130 1.00 0.00 C ATOM 555 O ASP A 35 11.663 3.125 0.423 1.00 0.00 O ATOM 556 CB ASP A 35 14.431 1.286 -0.600 1.00 0.00 C ATOM 557 CG ASP A 35 14.924 2.500 -1.363 1.00 0.00 C ATOM 558 OD1 ASP A 35 15.872 3.158 -0.883 1.00 0.00 O ATOM 559 OD2 ASP A 35 14.364 2.792 -2.439 1.00 0.00 O ATOM 0 H ASP A 35 13.944 -0.301 1.226 1.00 0.00 H new ATOM 0 HA ASP A 35 14.000 2.527 1.099 1.00 0.00 H new ATOM 0 HB2 ASP A 35 15.287 0.704 -0.257 1.00 0.00 H new ATOM 0 HB3 ASP A 35 13.859 0.646 -1.272 1.00 0.00 H new ATOM 564 N LYS A 36 11.524 1.126 -0.601 1.00 0.00 N ATOM 565 CA LYS A 36 10.178 1.358 -1.111 1.00 0.00 C ATOM 566 C LYS A 36 9.224 1.731 0.019 1.00 0.00 C ATOM 567 O LYS A 36 8.466 2.696 -0.088 1.00 0.00 O ATOM 568 CB LYS A 36 9.664 0.113 -1.837 1.00 0.00 C ATOM 569 CG LYS A 36 8.226 0.236 -2.312 1.00 0.00 C ATOM 570 CD LYS A 36 8.085 1.290 -3.397 1.00 0.00 C ATOM 571 CE LYS A 36 8.427 0.728 -4.768 1.00 0.00 C ATOM 572 NZ LYS A 36 7.840 1.545 -5.865 1.00 0.00 N ATOM 0 H LYS A 36 11.920 0.221 -0.854 1.00 0.00 H new ATOM 0 HA LYS A 36 10.222 2.189 -1.815 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.305 -0.088 -2.695 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.745 -0.746 -1.170 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.884 -0.727 -2.692 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.584 0.492 -1.469 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.064 1.672 -3.404 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.740 2.133 -3.174 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.510 0.689 -4.884 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.061 -0.296 -4.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.002 1.062 -6.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.564 2.477 -5.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.543 1.667 -6.621 1.00 0.00 H new ATOM 586 N ARG A 37 9.267 0.962 1.102 1.00 0.00 N ATOM 587 CA ARG A 37 8.406 1.212 2.251 1.00 0.00 C ATOM 588 C ARG A 37 8.538 2.657 2.725 1.00 0.00 C ATOM 589 O ARG A 37 7.556 3.281 3.127 1.00 0.00 O ATOM 590 CB ARG A 37 8.754 0.256 3.394 1.00 0.00 C ATOM 591 CG ARG A 37 7.912 0.465 4.641 1.00 0.00 C ATOM 592 CD ARG A 37 7.594 -0.855 5.326 1.00 0.00 C ATOM 593 NE ARG A 37 8.199 -0.942 6.653 1.00 0.00 N ATOM 594 CZ ARG A 37 9.474 -1.250 6.860 1.00 0.00 C ATOM 595 NH1 ARG A 37 10.275 -1.499 5.833 1.00 0.00 N ATOM 596 NH2 ARG A 37 9.951 -1.310 8.097 1.00 0.00 N ATOM 0 H ARG A 37 9.889 0.161 1.208 1.00 0.00 H new ATOM 0 HA ARG A 37 7.374 1.041 1.944 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.628 -0.770 3.049 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.806 0.379 3.652 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.443 1.117 5.334 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.984 0.971 4.374 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.513 -0.968 5.412 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.952 -1.679 4.709 1.00 0.00 H new ATOM 0 HE ARG A 37 7.610 -0.756 7.465 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.912 -1.454 4.881 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.254 -1.735 5.995 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.338 -1.119 8.890 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.931 -1.547 8.255 1.00 0.00 H new ATOM 610 N ARG A 38 9.758 3.182 2.675 1.00 0.00 N ATOM 611 CA ARG A 38 10.018 4.552 3.100 1.00 0.00 C ATOM 612 C ARG A 38 9.384 5.550 2.136 1.00 0.00 C ATOM 613 O ARG A 38 8.820 6.561 2.554 1.00 0.00 O ATOM 614 CB ARG A 38 11.524 4.802 3.192 1.00 0.00 C ATOM 615 CG ARG A 38 12.146 4.309 4.489 1.00 0.00 C ATOM 616 CD ARG A 38 13.651 4.143 4.357 1.00 0.00 C ATOM 617 NE ARG A 38 14.348 5.426 4.375 1.00 0.00 N ATOM 618 CZ ARG A 38 15.617 5.579 4.012 1.00 0.00 C ATOM 619 NH1 ARG A 38 16.324 4.534 3.605 1.00 0.00 N ATOM 620 NH2 ARG A 38 16.180 6.780 4.056 1.00 0.00 N ATOM 0 H ARG A 38 10.582 2.679 2.344 1.00 0.00 H new ATOM 0 HA ARG A 38 9.572 4.691 4.085 1.00 0.00 H new ATOM 0 HB2 ARG A 38 12.017 4.311 2.353 1.00 0.00 H new ATOM 0 HB3 ARG A 38 11.713 5.871 3.092 1.00 0.00 H new ATOM 0 HG2 ARG A 38 11.926 5.014 5.291 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.697 3.356 4.770 1.00 0.00 H new ATOM 0 HD2 ARG A 38 14.019 3.519 5.171 1.00 0.00 H new ATOM 0 HD3 ARG A 38 13.878 3.621 3.428 1.00 0.00 H new ATOM 0 HE ARG A 38 13.832 6.250 4.683 1.00 0.00 H new ATOM 0 HH11 ARG A 38 15.894 3.610 3.570 1.00 0.00 H new ATOM 0 HH12 ARG A 38 17.298 4.654 3.327 1.00 0.00 H new ATOM 0 HH21 ARG A 38 15.639 7.586 4.369 1.00 0.00 H new ATOM 0 HH22 ARG A 38 17.154 6.897 3.777 1.00 0.00 H new ATOM 634 N LYS A 39 9.480 5.259 0.843 1.00 0.00 N ATOM 635 CA LYS A 39 8.915 6.130 -0.182 1.00 0.00 C ATOM 636 C LYS A 39 7.399 6.216 -0.046 1.00 0.00 C ATOM 637 O LYS A 39 6.831 7.308 -0.010 1.00 0.00 O ATOM 638 CB LYS A 39 9.285 5.617 -1.575 1.00 0.00 C ATOM 639 CG LYS A 39 10.779 5.628 -1.851 1.00 0.00 C ATOM 640 CD LYS A 39 11.288 7.036 -2.109 1.00 0.00 C ATOM 641 CE LYS A 39 11.082 7.446 -3.560 1.00 0.00 C ATOM 642 NZ LYS A 39 12.207 6.999 -4.427 1.00 0.00 N ATOM 0 H LYS A 39 9.944 4.426 0.480 1.00 0.00 H new ATOM 0 HA LYS A 39 9.331 7.128 -0.047 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.910 4.600 -1.690 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.781 6.228 -2.324 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.310 5.198 -1.002 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.995 4.998 -2.714 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.770 7.737 -1.455 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.348 7.092 -1.861 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.148 7.021 -3.929 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.985 8.530 -3.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.029 7.297 -5.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.094 7.424 -4.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.284 5.963 -4.389 1.00 0.00 H new ATOM 656 N ILE A 40 6.749 5.060 0.029 1.00 0.00 N ATOM 657 CA ILE A 40 5.298 5.006 0.163 1.00 0.00 C ATOM 658 C ILE A 40 4.826 5.822 1.362 1.00 0.00 C ATOM 659 O ILE A 40 3.791 6.486 1.305 1.00 0.00 O ATOM 660 CB ILE A 40 4.800 3.557 0.315 1.00 0.00 C ATOM 661 CG1 ILE A 40 5.240 2.715 -0.885 1.00 0.00 C ATOM 662 CG2 ILE A 40 3.286 3.530 0.461 1.00 0.00 C ATOM 663 CD1 ILE A 40 5.013 1.231 -0.697 1.00 0.00 C ATOM 0 H ILE A 40 7.204 4.148 -0.001 1.00 0.00 H new ATOM 0 HA ILE A 40 4.881 5.431 -0.750 1.00 0.00 H new ATOM 0 HB ILE A 40 5.240 3.130 1.216 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.699 3.048 -1.770 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.299 2.891 -1.074 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.949 2.499 0.567 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.995 4.100 1.344 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.827 3.972 -0.423 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.348 0.696 -1.586 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.576 0.884 0.169 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.951 1.043 -0.538 1.00 0.00 H new ATOM 675 N SER A 41 5.594 5.770 2.446 1.00 0.00 N ATOM 676 CA SER A 41 5.254 6.503 3.660 1.00 0.00 C ATOM 677 C SER A 41 5.280 8.008 3.411 1.00 0.00 C ATOM 678 O SER A 41 4.623 8.776 4.113 1.00 0.00 O ATOM 679 CB SER A 41 6.225 6.144 4.786 1.00 0.00 C ATOM 680 OG SER A 41 6.413 7.239 5.666 1.00 0.00 O ATOM 0 H SER A 41 6.456 5.228 2.508 1.00 0.00 H new ATOM 0 HA SER A 41 4.244 6.219 3.956 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.842 5.288 5.342 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.184 5.845 4.362 1.00 0.00 H new ATOM 0 HG SER A 41 5.643 7.311 6.268 1.00 0.00 H new ATOM 686 N ALA A 42 6.045 8.422 2.406 1.00 0.00 N ATOM 687 CA ALA A 42 6.157 9.834 2.063 1.00 0.00 C ATOM 688 C ALA A 42 5.023 10.265 1.138 1.00 0.00 C ATOM 689 O ALA A 42 4.653 11.438 1.100 1.00 0.00 O ATOM 690 CB ALA A 42 7.505 10.115 1.415 1.00 0.00 C ATOM 0 H ALA A 42 6.596 7.799 1.815 1.00 0.00 H new ATOM 0 HA ALA A 42 6.081 10.413 2.983 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.575 11.173 1.164 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.304 9.853 2.109 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.603 9.520 0.507 1.00 0.00 H new ATOM 696 N ALA A 43 4.478 9.309 0.393 1.00 0.00 N ATOM 697 CA ALA A 43 3.385 9.590 -0.530 1.00 0.00 C ATOM 698 C ALA A 43 2.032 9.427 0.154 1.00 0.00 C ATOM 699 O ALA A 43 1.249 10.373 0.238 1.00 0.00 O ATOM 700 CB ALA A 43 3.477 8.682 -1.748 1.00 0.00 C ATOM 0 H ALA A 43 4.775 8.333 0.410 1.00 0.00 H new ATOM 0 HA ALA A 43 3.474 10.626 -0.855 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.655 8.902 -2.429 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.426 8.852 -2.257 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.416 7.641 -1.431 1.00 0.00 H new ATOM 706 N THR A 44 1.762 8.220 0.641 1.00 0.00 N ATOM 707 CA THR A 44 0.503 7.932 1.316 1.00 0.00 C ATOM 708 C THR A 44 0.470 8.555 2.707 1.00 0.00 C ATOM 709 O THR A 44 -0.578 8.601 3.352 1.00 0.00 O ATOM 710 CB THR A 44 0.266 6.415 1.440 1.00 0.00 C ATOM 711 OG1 THR A 44 1.242 5.837 2.314 1.00 0.00 O ATOM 712 CG2 THR A 44 0.337 5.743 0.077 1.00 0.00 C ATOM 0 H THR A 44 2.399 7.426 0.580 1.00 0.00 H new ATOM 0 HA THR A 44 -0.289 8.367 0.707 1.00 0.00 H new ATOM 0 HB THR A 44 -0.730 6.258 1.853 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.141 6.033 1.976 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.167 4.672 0.190 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.426 6.165 -0.577 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.322 5.910 -0.360 1.00 0.00 H new ATOM 720 N SER A 45 1.622 9.036 3.163 1.00 0.00 N ATOM 721 CA SER A 45 1.725 9.655 4.479 1.00 0.00 C ATOM 722 C SER A 45 1.412 8.646 5.580 1.00 0.00 C ATOM 723 O SER A 45 0.970 9.014 6.669 1.00 0.00 O ATOM 724 CB SER A 45 0.773 10.848 4.581 1.00 0.00 C ATOM 725 OG SER A 45 0.837 11.652 3.415 1.00 0.00 O ATOM 0 H SER A 45 2.497 9.009 2.640 1.00 0.00 H new ATOM 0 HA SER A 45 2.749 10.004 4.609 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.247 10.492 4.726 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.028 11.448 5.455 1.00 0.00 H new ATOM 0 HG SER A 45 0.218 12.407 3.504 1.00 0.00 H new ATOM 731 N LEU A 46 1.644 7.371 5.287 1.00 0.00 N ATOM 732 CA LEU A 46 1.387 6.306 6.251 1.00 0.00 C ATOM 733 C LEU A 46 2.671 5.898 6.966 1.00 0.00 C ATOM 734 O LEU A 46 3.766 6.305 6.578 1.00 0.00 O ATOM 735 CB LEU A 46 0.773 5.093 5.550 1.00 0.00 C ATOM 736 CG LEU A 46 -0.643 5.280 5.003 1.00 0.00 C ATOM 737 CD1 LEU A 46 -0.933 4.259 3.914 1.00 0.00 C ATOM 738 CD2 LEU A 46 -1.666 5.173 6.124 1.00 0.00 C ATOM 0 H LEU A 46 2.009 7.050 4.391 1.00 0.00 H new ATOM 0 HA LEU A 46 0.683 6.683 6.993 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.425 4.807 4.725 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.763 4.259 6.252 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.715 6.276 4.567 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.945 4.407 3.537 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.220 4.384 3.099 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.843 3.253 4.325 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.668 5.309 5.716 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.594 4.190 6.590 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.470 5.943 6.870 1.00 0.00 H new ATOM 750 N SER A 47 2.529 5.089 8.011 1.00 0.00 N ATOM 751 CA SER A 47 3.678 4.627 8.782 1.00 0.00 C ATOM 752 C SER A 47 4.280 3.371 8.158 1.00 0.00 C ATOM 753 O SER A 47 3.572 2.561 7.561 1.00 0.00 O ATOM 754 CB SER A 47 3.268 4.345 10.229 1.00 0.00 C ATOM 755 OG SER A 47 3.445 5.492 11.041 1.00 0.00 O ATOM 0 H SER A 47 1.630 4.740 8.343 1.00 0.00 H new ATOM 0 HA SER A 47 4.432 5.414 8.773 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.225 4.031 10.260 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.861 3.520 10.624 1.00 0.00 H new ATOM 0 HG SER A 47 3.175 5.287 11.960 1.00 0.00 H new ATOM 761 N GLU A 48 5.593 3.218 8.303 1.00 0.00 N ATOM 762 CA GLU A 48 6.291 2.062 7.753 1.00 0.00 C ATOM 763 C GLU A 48 5.622 0.762 8.193 1.00 0.00 C ATOM 764 O GLU A 48 5.636 -0.232 7.467 1.00 0.00 O ATOM 765 CB GLU A 48 7.757 2.067 8.191 1.00 0.00 C ATOM 766 CG GLU A 48 8.461 3.391 7.942 1.00 0.00 C ATOM 767 CD GLU A 48 9.963 3.297 8.130 1.00 0.00 C ATOM 768 OE1 GLU A 48 10.614 2.565 7.356 1.00 0.00 O ATOM 769 OE2 GLU A 48 10.487 3.956 9.053 1.00 0.00 O ATOM 0 H GLU A 48 6.193 3.879 8.796 1.00 0.00 H new ATOM 0 HA GLU A 48 6.244 2.125 6.666 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.811 1.830 9.254 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.289 1.277 7.661 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.246 3.728 6.928 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.060 4.145 8.620 1.00 0.00 H new ATOM 776 N ARG A 49 5.039 0.779 9.387 1.00 0.00 N ATOM 777 CA ARG A 49 4.367 -0.397 9.926 1.00 0.00 C ATOM 778 C ARG A 49 2.996 -0.583 9.281 1.00 0.00 C ATOM 779 O ARG A 49 2.650 -1.680 8.843 1.00 0.00 O ATOM 780 CB ARG A 49 4.216 -0.275 11.443 1.00 0.00 C ATOM 781 CG ARG A 49 3.658 -1.526 12.102 1.00 0.00 C ATOM 782 CD ARG A 49 4.672 -2.659 12.094 1.00 0.00 C ATOM 783 NE ARG A 49 5.866 -2.332 12.870 1.00 0.00 N ATOM 784 CZ ARG A 49 6.931 -3.120 12.947 1.00 0.00 C ATOM 785 NH1 ARG A 49 6.953 -4.277 12.299 1.00 0.00 N ATOM 786 NH2 ARG A 49 7.979 -2.753 13.674 1.00 0.00 N ATOM 0 H ARG A 49 5.018 1.594 10.000 1.00 0.00 H new ATOM 0 HA ARG A 49 4.979 -1.270 9.698 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.189 -0.048 11.879 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.561 0.567 11.668 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.371 -1.300 13.129 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.754 -1.841 11.580 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.212 -3.560 12.500 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.958 -2.882 11.066 1.00 0.00 H new ATOM 0 HE ARG A 49 5.882 -1.449 13.381 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.150 -4.563 11.739 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.773 -4.880 12.360 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.966 -1.864 14.174 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.797 -3.360 13.732 1.00 0.00 H new ATOM 800 N GLN A 50 2.222 0.496 9.228 1.00 0.00 N ATOM 801 CA GLN A 50 0.889 0.451 8.638 1.00 0.00 C ATOM 802 C GLN A 50 0.934 -0.146 7.236 1.00 0.00 C ATOM 803 O GLN A 50 0.184 -1.070 6.920 1.00 0.00 O ATOM 804 CB GLN A 50 0.282 1.854 8.588 1.00 0.00 C ATOM 805 CG GLN A 50 -0.199 2.357 9.940 1.00 0.00 C ATOM 806 CD GLN A 50 -1.403 3.272 9.827 1.00 0.00 C ATOM 807 OE1 GLN A 50 -1.298 4.482 10.028 1.00 0.00 O ATOM 808 NE2 GLN A 50 -2.555 2.697 9.503 1.00 0.00 N ATOM 0 H GLN A 50 2.494 1.411 9.586 1.00 0.00 H new ATOM 0 HA GLN A 50 0.264 -0.185 9.264 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.024 2.548 8.194 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.556 1.854 7.891 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -0.453 1.505 10.571 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.613 2.890 10.435 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.596 1.690 9.345 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.399 3.262 9.412 1.00 0.00 H new ATOM 817 N ILE A 51 1.818 0.387 6.399 1.00 0.00 N ATOM 818 CA ILE A 51 1.961 -0.094 5.030 1.00 0.00 C ATOM 819 C ILE A 51 2.244 -1.592 5.001 1.00 0.00 C ATOM 820 O ILE A 51 1.668 -2.329 4.200 1.00 0.00 O ATOM 821 CB ILE A 51 3.090 0.645 4.289 1.00 0.00 C ATOM 822 CG1 ILE A 51 2.826 2.152 4.285 1.00 0.00 C ATOM 823 CG2 ILE A 51 3.221 0.121 2.867 1.00 0.00 C ATOM 824 CD1 ILE A 51 4.045 2.978 3.939 1.00 0.00 C ATOM 0 H ILE A 51 2.446 1.152 6.645 1.00 0.00 H new ATOM 0 HA ILE A 51 1.016 0.105 4.525 1.00 0.00 H new ATOM 0 HB ILE A 51 4.029 0.461 4.811 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.033 2.372 3.570 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.461 2.451 5.268 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.023 0.653 2.356 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.450 -0.944 2.891 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.284 0.278 2.333 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.784 4.036 3.955 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.833 2.787 4.668 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.398 2.707 2.944 1.00 0.00 H new ATOM 836 N THR A 52 3.134 -2.038 5.882 1.00 0.00 N ATOM 837 CA THR A 52 3.494 -3.448 5.958 1.00 0.00 C ATOM 838 C THR A 52 2.282 -4.307 6.299 1.00 0.00 C ATOM 839 O THR A 52 1.991 -5.287 5.612 1.00 0.00 O ATOM 840 CB THR A 52 4.593 -3.691 7.010 1.00 0.00 C ATOM 841 OG1 THR A 52 5.765 -2.938 6.677 1.00 0.00 O ATOM 842 CG2 THR A 52 4.942 -5.170 7.096 1.00 0.00 C ATOM 0 H THR A 52 3.619 -1.442 6.553 1.00 0.00 H new ATOM 0 HA THR A 52 3.872 -3.731 4.976 1.00 0.00 H new ATOM 0 HB THR A 52 4.216 -3.366 7.979 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.695 -2.038 7.059 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.720 -5.317 7.845 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.055 -5.737 7.378 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.301 -5.516 6.127 1.00 0.00 H new ATOM 850 N ILE A 53 1.578 -3.933 7.362 1.00 0.00 N ATOM 851 CA ILE A 53 0.395 -4.670 7.792 1.00 0.00 C ATOM 852 C ILE A 53 -0.581 -4.865 6.637 1.00 0.00 C ATOM 853 O ILE A 53 -1.199 -5.922 6.505 1.00 0.00 O ATOM 854 CB ILE A 53 -0.329 -3.948 8.944 1.00 0.00 C ATOM 855 CG1 ILE A 53 0.613 -3.773 10.137 1.00 0.00 C ATOM 856 CG2 ILE A 53 -1.573 -4.722 9.354 1.00 0.00 C ATOM 857 CD1 ILE A 53 0.175 -2.691 11.100 1.00 0.00 C ATOM 0 H ILE A 53 1.806 -3.125 7.941 1.00 0.00 H new ATOM 0 HA ILE A 53 0.739 -5.643 8.142 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.636 -2.960 8.599 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.685 -4.719 10.674 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.612 -3.538 9.769 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.074 -4.200 10.169 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.250 -4.801 8.503 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.288 -5.721 9.684 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.889 -2.623 11.920 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.130 -1.735 10.578 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.811 -2.934 11.497 1.00 0.00 H new ATOM 869 N TRP A 54 -0.712 -3.841 5.802 1.00 0.00 N ATOM 870 CA TRP A 54 -1.612 -3.901 4.655 1.00 0.00 C ATOM 871 C TRP A 54 -1.097 -4.885 3.610 1.00 0.00 C ATOM 872 O TRP A 54 -1.857 -5.693 3.076 1.00 0.00 O ATOM 873 CB TRP A 54 -1.772 -2.513 4.033 1.00 0.00 C ATOM 874 CG TRP A 54 -2.827 -2.456 2.970 1.00 0.00 C ATOM 875 CD1 TRP A 54 -4.151 -2.173 3.145 1.00 0.00 C ATOM 876 CD2 TRP A 54 -2.646 -2.691 1.569 1.00 0.00 C ATOM 877 NE1 TRP A 54 -4.805 -2.217 1.937 1.00 0.00 N ATOM 878 CE2 TRP A 54 -3.904 -2.532 0.955 1.00 0.00 C ATOM 879 CE3 TRP A 54 -1.545 -3.017 0.774 1.00 0.00 C ATOM 880 CZ2 TRP A 54 -4.087 -2.690 -0.416 1.00 0.00 C ATOM 881 CZ3 TRP A 54 -1.728 -3.174 -0.586 1.00 0.00 C ATOM 882 CH2 TRP A 54 -2.991 -3.010 -1.171 1.00 0.00 C ATOM 0 H TRP A 54 -0.207 -2.960 5.897 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.584 -4.248 5.005 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -2.018 -1.797 4.818 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.819 -2.202 3.606 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.616 -1.948 4.093 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.800 -2.043 1.795 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.567 -3.144 1.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -5.060 -2.564 -0.868 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.883 -3.428 -1.209 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.102 -3.139 -2.238 1.00 0.00 H new ATOM 893 N PHE A 55 0.198 -4.811 3.321 1.00 0.00 N ATOM 894 CA PHE A 55 0.814 -5.695 2.339 1.00 0.00 C ATOM 895 C PHE A 55 0.719 -7.151 2.783 1.00 0.00 C ATOM 896 O PHE A 55 0.590 -8.055 1.957 1.00 0.00 O ATOM 897 CB PHE A 55 2.279 -5.310 2.123 1.00 0.00 C ATOM 898 CG PHE A 55 2.491 -4.389 0.955 1.00 0.00 C ATOM 899 CD1 PHE A 55 2.045 -3.078 0.999 1.00 0.00 C ATOM 900 CD2 PHE A 55 3.137 -4.835 -0.187 1.00 0.00 C ATOM 901 CE1 PHE A 55 2.238 -2.230 -0.075 1.00 0.00 C ATOM 902 CE2 PHE A 55 3.334 -3.991 -1.264 1.00 0.00 C ATOM 903 CZ PHE A 55 2.884 -2.686 -1.207 1.00 0.00 C ATOM 0 H PHE A 55 0.841 -4.148 3.753 1.00 0.00 H new ATOM 0 HA PHE A 55 0.274 -5.585 1.398 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.658 -4.831 3.026 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.866 -6.216 1.972 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.541 -2.715 1.882 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.491 -5.854 -0.236 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.884 -1.211 -0.029 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.839 -4.351 -2.148 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.037 -2.024 -2.046 1.00 0.00 H new ATOM 913 N GLN A 56 0.785 -7.370 4.092 1.00 0.00 N ATOM 914 CA GLN A 56 0.708 -8.717 4.646 1.00 0.00 C ATOM 915 C GLN A 56 -0.701 -9.284 4.505 1.00 0.00 C ATOM 916 O GLN A 56 -0.888 -10.388 3.995 1.00 0.00 O ATOM 917 CB GLN A 56 1.123 -8.710 6.118 1.00 0.00 C ATOM 918 CG GLN A 56 2.626 -8.811 6.327 1.00 0.00 C ATOM 919 CD GLN A 56 3.168 -10.190 6.009 1.00 0.00 C ATOM 920 OE1 GLN A 56 2.409 -11.145 5.840 1.00 0.00 O ATOM 921 NE2 GLN A 56 4.489 -10.302 5.926 1.00 0.00 N ATOM 0 H GLN A 56 0.892 -6.633 4.789 1.00 0.00 H new ATOM 0 HA GLN A 56 1.393 -9.353 4.086 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.760 -7.794 6.585 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.637 -9.542 6.628 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.127 -8.074 5.699 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.863 -8.561 7.361 1.00 0.00 H new ATOM 0 HE21 GLN A 56 5.080 -9.484 6.073 1.00 0.00 H new ATOM 0 HE22 GLN A 56 4.912 -11.206 5.715 1.00 0.00 H new ATOM 930 N ASN A 57 -1.689 -8.520 4.961 1.00 0.00 N ATOM 931 CA ASN A 57 -3.081 -8.947 4.886 1.00 0.00 C ATOM 932 C ASN A 57 -3.481 -9.249 3.446 1.00 0.00 C ATOM 933 O ASN A 57 -4.340 -10.095 3.193 1.00 0.00 O ATOM 934 CB ASN A 57 -3.999 -7.869 5.467 1.00 0.00 C ATOM 935 CG ASN A 57 -4.248 -8.060 6.950 1.00 0.00 C ATOM 936 OD1 ASN A 57 -4.513 -9.171 7.409 1.00 0.00 O ATOM 937 ND2 ASN A 57 -4.165 -6.973 7.709 1.00 0.00 N ATOM 0 H ASN A 57 -1.551 -7.603 5.386 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.187 -9.860 5.472 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -3.554 -6.888 5.299 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.951 -7.882 4.937 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.324 -7.040 8.714 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.943 -6.072 7.286 1.00 0.00 H new ATOM 944 N ARG A 58 -2.853 -8.553 2.504 1.00 0.00 N ATOM 945 CA ARG A 58 -3.143 -8.746 1.089 1.00 0.00 C ATOM 946 C ARG A 58 -2.714 -10.137 0.630 1.00 0.00 C ATOM 947 O ARG A 58 -3.412 -10.789 -0.146 1.00 0.00 O ATOM 948 CB ARG A 58 -2.435 -7.680 0.251 1.00 0.00 C ATOM 949 CG ARG A 58 -3.179 -7.314 -1.023 1.00 0.00 C ATOM 950 CD ARG A 58 -4.527 -6.679 -0.719 1.00 0.00 C ATOM 951 NE ARG A 58 -5.143 -6.103 -1.911 1.00 0.00 N ATOM 952 CZ ARG A 58 -5.701 -6.829 -2.873 1.00 0.00 C ATOM 953 NH1 ARG A 58 -5.722 -8.152 -2.783 1.00 0.00 N ATOM 954 NH2 ARG A 58 -6.242 -6.232 -3.928 1.00 0.00 N ATOM 0 H ARG A 58 -2.139 -7.850 2.696 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.220 -8.652 0.949 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.304 -6.783 0.856 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.439 -8.037 -0.010 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.575 -6.624 -1.612 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.325 -8.208 -1.630 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.193 -7.429 -0.294 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.400 -5.902 0.035 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.145 -5.088 -2.010 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.309 -8.615 -1.973 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.151 -8.707 -3.523 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.229 -5.215 -4.000 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.670 -6.791 -4.666 1.00 0.00 H new ATOM 968 N ARG A 59 -1.560 -10.584 1.115 1.00 0.00 N ATOM 969 CA ARG A 59 -1.036 -11.895 0.754 1.00 0.00 C ATOM 970 C ARG A 59 -1.698 -12.992 1.582 1.00 0.00 C ATOM 971 O ARG A 59 -2.227 -13.962 1.039 1.00 0.00 O ATOM 972 CB ARG A 59 0.480 -11.936 0.953 1.00 0.00 C ATOM 973 CG ARG A 59 1.269 -11.586 -0.298 1.00 0.00 C ATOM 974 CD ARG A 59 1.665 -12.833 -1.073 1.00 0.00 C ATOM 975 NE ARG A 59 2.607 -13.664 -0.328 1.00 0.00 N ATOM 976 CZ ARG A 59 3.054 -14.837 -0.762 1.00 0.00 C ATOM 977 NH1 ARG A 59 2.648 -15.314 -1.931 1.00 0.00 N ATOM 978 NH2 ARG A 59 3.910 -15.536 -0.027 1.00 0.00 N ATOM 0 H ARG A 59 -0.970 -10.057 1.759 1.00 0.00 H new ATOM 0 HA ARG A 59 -1.262 -12.071 -0.298 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.752 -11.243 1.749 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.767 -12.933 1.286 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.672 -10.934 -0.936 1.00 0.00 H new ATOM 0 HG3 ARG A 59 2.164 -11.029 -0.021 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.773 -13.415 -1.304 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.111 -12.542 -2.024 1.00 0.00 H new ATOM 0 HE ARG A 59 2.940 -13.325 0.575 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.991 -14.780 -2.499 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.993 -16.215 -2.262 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.225 -15.173 0.872 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.252 -16.437 -0.361 1.00 0.00 H new ATOM 992 N VAL A 60 -1.665 -12.832 2.902 1.00 0.00 N ATOM 993 CA VAL A 60 -2.263 -13.807 3.806 1.00 0.00 C ATOM 994 C VAL A 60 -3.710 -14.095 3.425 1.00 0.00 C ATOM 995 O VAL A 60 -4.221 -15.190 3.662 1.00 0.00 O ATOM 996 CB VAL A 60 -2.214 -13.321 5.267 1.00 0.00 C ATOM 997 CG1 VAL A 60 -2.723 -14.404 6.206 1.00 0.00 C ATOM 998 CG2 VAL A 60 -0.802 -12.900 5.641 1.00 0.00 C ATOM 0 H VAL A 60 -1.230 -12.036 3.369 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.679 -14.723 3.716 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.865 -12.452 5.365 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.681 -14.043 7.234 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.753 -14.653 5.950 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.100 -15.293 6.108 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.786 -12.560 6.676 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.127 -13.749 5.528 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.479 -12.090 4.988 1.00 0.00 H new ATOM 1008 N LYS A 61 -4.369 -13.105 2.832 1.00 0.00 N ATOM 1009 CA LYS A 61 -5.758 -13.251 2.415 1.00 0.00 C ATOM 1010 C LYS A 61 -5.939 -14.492 1.548 1.00 0.00 C ATOM 1011 O LYS A 61 -6.996 -15.122 1.564 1.00 0.00 O ATOM 1012 CB LYS A 61 -6.215 -12.008 1.647 1.00 0.00 C ATOM 1013 CG LYS A 61 -7.614 -12.131 1.068 1.00 0.00 C ATOM 1014 CD LYS A 61 -8.017 -10.875 0.314 1.00 0.00 C ATOM 1015 CE LYS A 61 -9.512 -10.852 0.031 1.00 0.00 C ATOM 1016 NZ LYS A 61 -9.910 -11.912 -0.936 1.00 0.00 N ATOM 0 H LYS A 61 -3.962 -12.192 2.629 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.370 -13.363 3.310 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.181 -11.146 2.314 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.512 -11.812 0.838 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.657 -12.989 0.397 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -8.326 -12.319 1.871 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.742 -9.995 0.896 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.467 -10.820 -0.625 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.060 -10.987 0.963 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.792 -9.876 -0.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.935 -11.863 -1.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.406 -11.769 -1.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.667 -12.845 -0.547 1.00 0.00 H new ATOM 1030 N GLU A 62 -4.900 -14.838 0.794 1.00 0.00 N ATOM 1031 CA GLU A 62 -4.946 -16.005 -0.079 1.00 0.00 C ATOM 1032 C GLU A 62 -4.031 -17.110 0.442 1.00 0.00 C ATOM 1033 O GLU A 62 -3.518 -17.922 -0.328 1.00 0.00 O ATOM 1034 CB GLU A 62 -4.539 -15.621 -1.503 1.00 0.00 C ATOM 1035 CG GLU A 62 -3.307 -14.734 -1.566 1.00 0.00 C ATOM 1036 CD GLU A 62 -2.806 -14.531 -2.983 1.00 0.00 C ATOM 1037 OE1 GLU A 62 -2.653 -15.536 -3.708 1.00 0.00 O ATOM 1038 OE2 GLU A 62 -2.568 -13.367 -3.366 1.00 0.00 O ATOM 0 H GLU A 62 -4.017 -14.327 0.770 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.970 -16.379 -0.090 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.352 -16.529 -2.076 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.371 -15.107 -1.984 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.539 -13.765 -1.124 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.514 -15.177 -0.964 1.00 0.00 H new ATOM 1045 N LYS A 63 -3.831 -17.134 1.755 1.00 0.00 N ATOM 1046 CA LYS A 63 -2.979 -18.138 2.382 1.00 0.00 C ATOM 1047 C LYS A 63 -3.776 -18.993 3.362 1.00 0.00 C ATOM 1048 O LYS A 63 -3.623 -20.214 3.404 1.00 0.00 O ATOM 1049 CB LYS A 63 -1.812 -17.466 3.108 1.00 0.00 C ATOM 1050 CG LYS A 63 -0.856 -16.738 2.179 1.00 0.00 C ATOM 1051 CD LYS A 63 0.255 -17.653 1.693 1.00 0.00 C ATOM 1052 CE LYS A 63 -0.165 -18.431 0.455 1.00 0.00 C ATOM 1053 NZ LYS A 63 1.010 -18.890 -0.337 1.00 0.00 N ATOM 0 H LYS A 63 -4.248 -16.469 2.407 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.586 -18.785 1.598 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.207 -16.758 3.836 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.259 -18.221 3.666 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.406 -16.346 1.323 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.423 -15.883 2.698 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.143 -17.062 1.469 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.528 -18.349 2.486 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.761 -19.293 0.753 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.801 -17.804 -0.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.682 -19.416 -1.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.566 -18.066 -0.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.604 -19.509 0.251 1.00 0.00 H new ATOM 1067 N LYS A 64 -4.629 -18.345 4.147 1.00 0.00 N ATOM 1068 CA LYS A 64 -5.453 -19.045 5.125 1.00 0.00 C ATOM 1069 C LYS A 64 -6.727 -19.581 4.479 1.00 0.00 C ATOM 1070 O LYS A 64 -7.060 -19.222 3.350 1.00 0.00 O ATOM 1071 CB LYS A 64 -5.810 -18.112 6.284 1.00 0.00 C ATOM 1072 CG LYS A 64 -4.656 -17.858 7.238 1.00 0.00 C ATOM 1073 CD LYS A 64 -4.527 -18.969 8.266 1.00 0.00 C ATOM 1074 CE LYS A 64 -5.674 -18.940 9.265 1.00 0.00 C ATOM 1075 NZ LYS A 64 -5.377 -19.756 10.475 1.00 0.00 N ATOM 0 H LYS A 64 -4.768 -17.335 4.125 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.879 -19.888 5.509 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.153 -17.159 5.880 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.643 -18.541 6.841 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -3.728 -17.774 6.673 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.806 -16.906 7.747 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.508 -19.934 7.760 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -3.579 -18.868 8.795 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.871 -17.910 9.561 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.580 -19.314 8.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.183 -19.710 11.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.214 -20.744 10.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.527 -19.384 10.945 1.00 0.00 H new ATOM 1089 N SER A 65 -7.437 -20.439 5.204 1.00 0.00 N ATOM 1090 CA SER A 65 -8.674 -21.026 4.701 1.00 0.00 C ATOM 1091 C SER A 65 -9.827 -20.033 4.804 1.00 0.00 C ATOM 1092 O SER A 65 -10.455 -19.900 5.854 1.00 0.00 O ATOM 1093 CB SER A 65 -9.012 -22.300 5.476 1.00 0.00 C ATOM 1094 OG SER A 65 -9.987 -23.069 4.794 1.00 0.00 O ATOM 0 H SER A 65 -7.177 -20.744 6.142 1.00 0.00 H new ATOM 0 HA SER A 65 -8.527 -21.278 3.651 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.109 -22.894 5.617 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.379 -22.039 6.468 1.00 0.00 H new ATOM 0 HG SER A 65 -10.184 -23.879 5.310 1.00 0.00 H new ATOM 1100 N GLY A 66 -10.101 -19.337 3.705 1.00 0.00 N ATOM 1101 CA GLY A 66 -11.178 -18.364 3.691 1.00 0.00 C ATOM 1102 C GLY A 66 -11.013 -17.331 2.595 1.00 0.00 C ATOM 1103 O GLY A 66 -10.697 -16.169 2.849 1.00 0.00 O ATOM 0 H GLY A 66 -9.596 -19.430 2.824 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -12.128 -18.881 3.558 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.221 -17.861 4.657 1.00 0.00 H new ATOM 1107 N PRO A 67 -11.230 -17.755 1.340 1.00 0.00 N ATOM 1108 CA PRO A 67 -11.108 -16.873 0.175 1.00 0.00 C ATOM 1109 C PRO A 67 -12.218 -15.830 0.119 1.00 0.00 C ATOM 1110 O PRO A 67 -11.990 -14.687 -0.277 1.00 0.00 O ATOM 1111 CB PRO A 67 -11.217 -17.835 -1.010 1.00 0.00 C ATOM 1112 CG PRO A 67 -11.990 -18.996 -0.486 1.00 0.00 C ATOM 1113 CD PRO A 67 -11.610 -19.126 0.963 1.00 0.00 C ATOM 0 HA PRO A 67 -10.181 -16.300 0.192 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -11.726 -17.368 -1.853 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -10.232 -18.142 -1.363 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.062 -18.832 -0.595 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.749 -19.906 -1.036 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -12.441 -19.493 1.565 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -10.784 -19.824 1.101 1.00 0.00 H new ATOM 1121 N SER A 68 -13.421 -16.230 0.518 1.00 0.00 N ATOM 1122 CA SER A 68 -14.568 -15.330 0.510 1.00 0.00 C ATOM 1123 C SER A 68 -15.144 -15.170 1.914 1.00 0.00 C ATOM 1124 O SER A 68 -16.335 -15.384 2.137 1.00 0.00 O ATOM 1125 CB SER A 68 -15.648 -15.855 -0.439 1.00 0.00 C ATOM 1126 OG SER A 68 -15.072 -16.421 -1.603 1.00 0.00 O ATOM 0 H SER A 68 -13.627 -17.172 0.851 1.00 0.00 H new ATOM 0 HA SER A 68 -14.230 -14.354 0.161 1.00 0.00 H new ATOM 0 HB2 SER A 68 -16.253 -16.604 0.072 1.00 0.00 H new ATOM 0 HB3 SER A 68 -16.317 -15.041 -0.719 1.00 0.00 H new ATOM 0 HG SER A 68 -15.782 -16.751 -2.192 1.00 0.00 H new ATOM 1132 N SER A 69 -14.287 -14.793 2.858 1.00 0.00 N ATOM 1133 CA SER A 69 -14.708 -14.608 4.242 1.00 0.00 C ATOM 1134 C SER A 69 -14.477 -13.168 4.691 1.00 0.00 C ATOM 1135 O SER A 69 -13.363 -12.653 4.615 1.00 0.00 O ATOM 1136 CB SER A 69 -13.951 -15.568 5.160 1.00 0.00 C ATOM 1137 OG SER A 69 -12.600 -15.168 5.315 1.00 0.00 O ATOM 0 H SER A 69 -13.298 -14.610 2.690 1.00 0.00 H new ATOM 0 HA SER A 69 -15.775 -14.823 4.304 1.00 0.00 H new ATOM 0 HB2 SER A 69 -14.437 -15.603 6.135 1.00 0.00 H new ATOM 0 HB3 SER A 69 -13.990 -16.576 4.748 1.00 0.00 H new ATOM 0 HG SER A 69 -12.489 -14.254 4.979 1.00 0.00 H new ATOM 1143 N GLY A 70 -15.541 -12.524 5.161 1.00 0.00 N ATOM 1144 CA GLY A 70 -15.435 -11.150 5.616 1.00 0.00 C ATOM 1145 C GLY A 70 -16.760 -10.595 6.100 1.00 0.00 C ATOM 1146 O GLY A 70 -16.851 -10.060 7.205 1.00 0.00 O ATOM 0 H GLY A 70 -16.474 -12.929 5.235 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -14.704 -11.093 6.423 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -15.060 -10.529 4.802 1.00 0.00 H new TER 1150 GLY A 70