USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 381 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 NoAdj-H: B 34 HIS HE2 : B 34 HIS NE2 : B 55 ZNZN :(H bumps) USER MOD Set 1.1: B 20 GLN : amide:sc= 1.73 K(o=2.5,f=-2.8) USER MOD Set 1.2: B 30 LYS NZ :NH3+ -175:sc= 0.797 (180deg=-0.00996) USER MOD Single : A 1 DA O5' : rot 52:sc= 0.00812 USER MOD Single : A 5 DC O3' : rot 180:sc= 0 USER MOD Single : B 19 SER OG : rot 43:sc= 0.119 USER MOD Single : B 25 GLN : amide:sc= 0.454 K(o=0.45,f=-8.1!) USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 32 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00935) USER MOD Single : B 37 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00479) USER MOD Single : B 41 LYS NZ :NH3+ -140:sc= 1.15 (180deg=-0.000789) USER MOD Single : B 42 LYS NZ :NH3+ 173:sc= 0.633 (180deg=0.628) USER MOD Single : B 52 GLN : amide:sc= 0.976 K(o=0.98,f=0) USER MOD Single : B 53 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 0.246 -8.137 0.138 1.00 0.00 O ATOM 2 C5' DA A 1 1.482 -7.847 0.754 1.00 0.00 C ATOM 3 C4' DA A 1 1.288 -7.577 2.253 1.00 0.00 C ATOM 4 O4' DA A 1 2.546 -7.627 2.904 1.00 0.00 O ATOM 5 C3' DA A 1 0.650 -6.221 2.569 1.00 0.00 C ATOM 6 O3' DA A 1 -0.033 -6.281 3.813 1.00 0.00 O ATOM 7 C2' DA A 1 1.917 -5.403 2.689 1.00 0.00 C ATOM 8 C1' DA A 1 2.804 -6.361 3.475 1.00 0.00 C ATOM 9 N9 DA A 1 4.248 -6.071 3.364 1.00 0.00 N ATOM 10 C8 DA A 1 4.950 -5.658 2.264 1.00 0.00 C ATOM 11 N7 DA A 1 6.235 -5.549 2.451 1.00 0.00 N ATOM 12 C5 DA A 1 6.400 -5.917 3.781 1.00 0.00 C ATOM 13 C6 DA A 1 7.532 -6.020 4.618 1.00 0.00 C ATOM 14 N6 DA A 1 8.773 -5.750 4.197 1.00 0.00 N ATOM 15 N1 DA A 1 7.351 -6.404 5.897 1.00 0.00 N ATOM 16 C2 DA A 1 6.117 -6.665 6.325 1.00 0.00 C ATOM 17 N3 DA A 1 4.976 -6.605 5.642 1.00 0.00 N ATOM 18 C4 DA A 1 5.189 -6.221 4.354 1.00 0.00 C ATOM 0 H5' DA A 1 1.937 -6.978 0.278 1.00 0.00 H new ATOM 0 H5'' DA A 1 2.169 -8.682 0.615 1.00 0.00 H new ATOM 0 H4' DA A 1 0.605 -8.348 2.608 1.00 0.00 H new ATOM 0 H3' DA A 1 -0.087 -5.852 1.855 1.00 0.00 H new ATOM 0 H2' DA A 1 2.340 -5.152 1.716 1.00 0.00 H new ATOM 0 H2'' DA A 1 1.754 -4.464 3.217 1.00 0.00 H new ATOM 0 HO5' DA A 1 -0.400 -7.432 0.353 1.00 0.00 H new ATOM 0 H1' DA A 1 2.576 -6.285 4.538 1.00 0.00 H new ATOM 0 H8 DA A 1 4.477 -5.440 1.318 1.00 0.00 H new ATOM 0 H61 DA A 1 9.560 -5.839 4.840 1.00 0.00 H new ATOM 0 H62 DA A 1 8.932 -5.455 3.234 1.00 0.00 H new ATOM 0 H2 DA A 1 6.031 -6.964 7.359 1.00 0.00 H new ATOM 31 P DC A 2 -1.222 -5.255 4.210 1.00 0.00 P ATOM 32 OP1 DC A 2 -1.626 -5.560 5.600 1.00 0.00 O ATOM 33 OP2 DC A 2 -2.238 -5.297 3.135 1.00 0.00 O ATOM 34 O5' DC A 2 -0.548 -3.789 4.185 1.00 0.00 O ATOM 35 C5' DC A 2 -0.439 -2.955 5.329 1.00 0.00 C ATOM 36 C4' DC A 2 0.803 -3.272 6.173 1.00 0.00 C ATOM 37 O4' DC A 2 1.933 -3.442 5.344 1.00 0.00 O ATOM 38 C3' DC A 2 1.186 -2.105 7.097 1.00 0.00 C ATOM 39 O3' DC A 2 0.723 -2.291 8.423 1.00 0.00 O ATOM 40 C2' DC A 2 2.716 -2.079 7.024 1.00 0.00 C ATOM 41 C1' DC A 2 3.070 -3.278 6.160 1.00 0.00 C ATOM 42 N1 DC A 2 4.320 -3.018 5.400 1.00 0.00 N ATOM 43 C2 DC A 2 5.545 -3.249 6.028 1.00 0.00 C ATOM 44 O2 DC A 2 5.593 -3.629 7.196 1.00 0.00 O ATOM 45 N3 DC A 2 6.690 -3.052 5.312 1.00 0.00 N ATOM 46 C4 DC A 2 6.649 -2.642 4.036 1.00 0.00 C ATOM 47 N4 DC A 2 7.800 -2.497 3.370 1.00 0.00 N ATOM 48 C5 DC A 2 5.401 -2.358 3.387 1.00 0.00 C ATOM 49 C6 DC A 2 4.275 -2.541 4.115 1.00 0.00 C ATOM 0 H5' DC A 2 -1.331 -3.070 5.944 1.00 0.00 H new ATOM 0 H5'' DC A 2 -0.402 -1.913 5.012 1.00 0.00 H new ATOM 0 H4' DC A 2 0.549 -4.167 6.741 1.00 0.00 H new ATOM 0 H3' DC A 2 0.731 -1.164 6.788 1.00 0.00 H new ATOM 0 H2' DC A 2 3.078 -1.150 6.583 1.00 0.00 H new ATOM 0 H2'' DC A 2 3.163 -2.157 8.015 1.00 0.00 H new ATOM 0 H1' DC A 2 3.283 -4.188 6.721 1.00 0.00 H new ATOM 0 H41 DC A 2 7.791 -2.186 2.399 1.00 0.00 H new ATOM 0 H42 DC A 2 8.686 -2.697 3.834 1.00 0.00 H new ATOM 0 H5 DC A 2 5.362 -2.014 2.364 1.00 0.00 H new ATOM 0 H6 DC A 2 3.318 -2.306 3.673 1.00 0.00 H new ATOM 61 P DG A 3 0.605 -1.045 9.449 1.00 0.00 P ATOM 62 OP1 DG A 3 0.244 -1.574 10.783 1.00 0.00 O ATOM 63 OP2 DG A 3 -0.248 -0.015 8.813 1.00 0.00 O ATOM 64 O5' DG A 3 2.120 -0.486 9.524 1.00 0.00 O ATOM 65 C5' DG A 3 2.396 0.873 9.801 1.00 0.00 C ATOM 66 C4' DG A 3 3.861 1.216 9.480 1.00 0.00 C ATOM 67 O4' DG A 3 4.158 0.731 8.177 1.00 0.00 O ATOM 68 C3' DG A 3 3.997 2.745 9.445 1.00 0.00 C ATOM 69 O3' DG A 3 5.221 3.307 9.921 1.00 0.00 O ATOM 70 C2' DG A 3 3.668 3.048 7.993 1.00 0.00 C ATOM 71 C1' DG A 3 4.170 1.802 7.252 1.00 0.00 C ATOM 72 N9 DG A 3 3.397 1.462 6.031 1.00 0.00 N ATOM 73 C8 DG A 3 2.038 1.438 5.833 1.00 0.00 C ATOM 74 N7 DG A 3 1.682 1.197 4.602 1.00 0.00 N ATOM 75 C5 DG A 3 2.888 1.022 3.932 1.00 0.00 C ATOM 76 C6 DG A 3 3.152 0.792 2.546 1.00 0.00 C ATOM 77 O6 DG A 3 2.355 0.732 1.617 1.00 0.00 O ATOM 78 N1 DG A 3 4.508 0.671 2.269 1.00 0.00 N ATOM 79 C2 DG A 3 5.503 0.759 3.220 1.00 0.00 C ATOM 80 N2 DG A 3 6.757 0.620 2.783 1.00 0.00 N ATOM 81 N3 DG A 3 5.264 0.975 4.523 1.00 0.00 N ATOM 82 C4 DG A 3 3.940 1.124 4.811 1.00 0.00 C ATOM 0 H5' DG A 3 2.192 1.082 10.851 1.00 0.00 H new ATOM 0 H5'' DG A 3 1.733 1.509 9.214 1.00 0.00 H new ATOM 0 H4' DG A 3 4.527 0.777 10.223 1.00 0.00 H new ATOM 0 H3' DG A 3 3.335 3.228 10.164 1.00 0.00 H new ATOM 0 H2' DG A 3 2.599 3.200 7.846 1.00 0.00 H new ATOM 0 H2'' DG A 3 4.169 3.952 7.647 1.00 0.00 H new ATOM 0 H1' DG A 3 5.175 2.006 6.883 1.00 0.00 H new ATOM 0 H8 DG A 3 1.326 1.604 6.628 1.00 0.00 H new ATOM 0 H1 DG A 3 4.785 0.507 1.301 1.00 0.00 H new ATOM 0 H21 DG A 3 7.535 0.676 3.440 1.00 0.00 H new ATOM 0 H22 DG A 3 6.937 0.458 1.792 1.00 0.00 H new ATOM 94 P DC A 4 6.690 3.195 9.223 1.00 0.00 P ATOM 95 OP1 DC A 4 6.863 1.833 8.673 1.00 0.00 O ATOM 96 OP2 DC A 4 7.666 3.685 10.220 1.00 0.00 O ATOM 97 O5' DC A 4 6.699 4.262 7.990 1.00 0.00 O ATOM 98 C5' DC A 4 7.877 4.459 7.217 1.00 0.00 C ATOM 99 C4' DC A 4 7.909 5.744 6.364 1.00 0.00 C ATOM 100 O4' DC A 4 7.070 5.721 5.217 1.00 0.00 O ATOM 101 C3' DC A 4 7.551 7.035 7.116 1.00 0.00 C ATOM 102 O3' DC A 4 8.711 7.734 7.540 1.00 0.00 O ATOM 103 C2' DC A 4 6.812 7.844 6.045 1.00 0.00 C ATOM 104 C1' DC A 4 7.049 7.058 4.759 1.00 0.00 C ATOM 105 N1 DC A 4 6.051 7.376 3.691 1.00 0.00 N ATOM 106 C2 DC A 4 6.503 7.838 2.447 1.00 0.00 C ATOM 107 O2 DC A 4 7.696 8.045 2.231 1.00 0.00 O ATOM 108 N3 DC A 4 5.589 8.046 1.455 1.00 0.00 N ATOM 109 C4 DC A 4 4.285 7.806 1.647 1.00 0.00 C ATOM 110 N4 DC A 4 3.446 7.942 0.615 1.00 0.00 N ATOM 111 C5 DC A 4 3.786 7.415 2.934 1.00 0.00 C ATOM 112 C6 DC A 4 4.703 7.232 3.916 1.00 0.00 C ATOM 0 H5' DC A 4 8.003 3.602 6.555 1.00 0.00 H new ATOM 0 H5'' DC A 4 8.734 4.470 7.890 1.00 0.00 H new ATOM 0 H4' DC A 4 8.959 5.755 6.071 1.00 0.00 H new ATOM 0 H3' DC A 4 6.973 6.852 8.022 1.00 0.00 H new ATOM 0 H2' DC A 4 5.749 7.928 6.271 1.00 0.00 H new ATOM 0 H2'' DC A 4 7.203 8.859 5.970 1.00 0.00 H new ATOM 0 H1' DC A 4 7.974 7.308 4.240 1.00 0.00 H new ATOM 0 H41 DC A 4 2.450 7.764 0.741 1.00 0.00 H new ATOM 0 H42 DC A 4 3.802 8.224 -0.298 1.00 0.00 H new ATOM 0 H5 DC A 4 2.730 7.273 3.112 1.00 0.00 H new ATOM 0 H6 DC A 4 4.363 6.965 4.906 1.00 0.00 H new ATOM 124 P DC A 5 8.677 8.754 8.798 1.00 0.00 P ATOM 125 OP1 DC A 5 9.927 9.546 8.782 1.00 0.00 O ATOM 126 OP2 DC A 5 8.321 7.975 10.004 1.00 0.00 O ATOM 127 O5' DC A 5 7.445 9.748 8.482 1.00 0.00 O ATOM 128 C5' DC A 5 7.595 10.944 7.739 1.00 0.00 C ATOM 129 C4' DC A 5 6.204 11.500 7.410 1.00 0.00 C ATOM 130 O4' DC A 5 5.449 10.526 6.711 1.00 0.00 O ATOM 131 C3' DC A 5 5.391 11.872 8.650 1.00 0.00 C ATOM 132 O3' DC A 5 5.629 13.204 9.054 1.00 0.00 O ATOM 133 C2' DC A 5 3.963 11.689 8.152 1.00 0.00 C ATOM 134 C1' DC A 5 4.078 10.631 7.048 1.00 0.00 C ATOM 135 N1 DC A 5 3.578 9.294 7.490 1.00 0.00 N ATOM 136 C2 DC A 5 2.517 8.691 6.803 1.00 0.00 C ATOM 137 O2 DC A 5 2.005 9.222 5.819 1.00 0.00 O ATOM 138 N3 DC A 5 2.049 7.489 7.250 1.00 0.00 N ATOM 139 C4 DC A 5 2.597 6.880 8.311 1.00 0.00 C ATOM 140 N4 DC A 5 2.080 5.720 8.726 1.00 0.00 N ATOM 141 C5 DC A 5 3.714 7.454 9.003 1.00 0.00 C ATOM 142 C6 DC A 5 4.160 8.652 8.559 1.00 0.00 C ATOM 0 H5' DC A 5 8.151 10.751 6.821 1.00 0.00 H new ATOM 0 H5'' DC A 5 8.168 11.674 8.311 1.00 0.00 H new ATOM 0 H4' DC A 5 6.380 12.398 6.818 1.00 0.00 H new ATOM 0 H3' DC A 5 5.635 11.274 9.528 1.00 0.00 H new ATOM 0 H2' DC A 5 3.302 11.358 8.953 1.00 0.00 H new ATOM 0 H2'' DC A 5 3.554 12.623 7.767 1.00 0.00 H new ATOM 0 HO3' DC A 5 5.091 13.406 9.848 1.00 0.00 H new ATOM 0 H1' DC A 5 3.467 10.936 6.198 1.00 0.00 H new ATOM 0 H41 DC A 5 2.483 5.241 9.531 1.00 0.00 H new ATOM 0 H42 DC A 5 1.282 5.313 8.237 1.00 0.00 H new ATOM 0 H5 DC A 5 4.178 6.953 9.840 1.00 0.00 H new ATOM 0 H6 DC A 5 4.997 9.118 9.058 1.00 0.00 H new TER 155 DC A 5 ATOM 156 N GLY B 14 15.570 -5.575 -10.889 1.00 0.00 N ATOM 157 CA GLY B 14 15.141 -4.291 -11.469 1.00 0.00 C ATOM 158 C GLY B 14 13.696 -4.338 -11.958 1.00 0.00 C ATOM 159 O GLY B 14 13.057 -5.387 -11.893 1.00 0.00 O ATOM 0 HA2 GLY B 14 15.246 -3.503 -10.723 1.00 0.00 H new ATOM 0 HA3 GLY B 14 15.797 -4.032 -12.300 1.00 0.00 H new ATOM 165 N GLU B 15 13.189 -3.198 -12.442 1.00 0.00 N ATOM 166 CA GLU B 15 11.825 -3.049 -12.927 1.00 0.00 C ATOM 167 C GLU B 15 11.791 -1.885 -13.917 1.00 0.00 C ATOM 168 O GLU B 15 12.385 -0.839 -13.654 1.00 0.00 O ATOM 169 CB GLU B 15 10.891 -2.811 -11.732 1.00 0.00 C ATOM 170 CG GLU B 15 9.413 -2.772 -12.143 1.00 0.00 C ATOM 171 CD GLU B 15 8.486 -2.601 -10.941 1.00 0.00 C ATOM 172 OE1 GLU B 15 8.827 -3.139 -9.866 1.00 0.00 O ATOM 173 OE2 GLU B 15 7.443 -1.934 -11.114 1.00 0.00 O ATOM 0 H GLU B 15 13.734 -2.338 -12.506 1.00 0.00 H new ATOM 0 HA GLU B 15 11.486 -3.949 -13.440 1.00 0.00 H new ATOM 0 HB2 GLU B 15 11.040 -3.601 -10.995 1.00 0.00 H new ATOM 0 HB3 GLU B 15 11.156 -1.870 -11.249 1.00 0.00 H new ATOM 0 HG2 GLU B 15 9.253 -1.952 -12.843 1.00 0.00 H new ATOM 0 HG3 GLU B 15 9.159 -3.693 -12.668 1.00 0.00 H new ATOM 180 N ARG B 16 11.106 -2.068 -15.054 1.00 0.00 N ATOM 181 CA ARG B 16 11.029 -1.083 -16.128 1.00 0.00 C ATOM 182 C ARG B 16 9.949 -0.041 -15.817 1.00 0.00 C ATOM 183 O ARG B 16 9.016 0.151 -16.595 1.00 0.00 O ATOM 184 CB ARG B 16 10.770 -1.793 -17.466 1.00 0.00 C ATOM 185 CG ARG B 16 11.919 -2.742 -17.839 1.00 0.00 C ATOM 186 CD ARG B 16 11.656 -3.440 -19.178 1.00 0.00 C ATOM 187 NE ARG B 16 11.618 -2.484 -20.294 1.00 0.00 N ATOM 188 CZ ARG B 16 11.344 -2.803 -21.570 1.00 0.00 C ATOM 189 NH1 ARG B 16 11.084 -4.072 -21.917 1.00 0.00 N ATOM 190 NH2 ARG B 16 11.330 -1.843 -22.504 1.00 0.00 N ATOM 0 H ARG B 16 10.583 -2.921 -15.251 1.00 0.00 H new ATOM 0 HA ARG B 16 11.979 -0.554 -16.207 1.00 0.00 H new ATOM 0 HB2 ARG B 16 9.839 -2.356 -17.405 1.00 0.00 H new ATOM 0 HB3 ARG B 16 10.642 -1.050 -18.253 1.00 0.00 H new ATOM 0 HG2 ARG B 16 12.852 -2.181 -17.896 1.00 0.00 H new ATOM 0 HG3 ARG B 16 12.044 -3.490 -17.056 1.00 0.00 H new ATOM 0 HD2 ARG B 16 12.434 -4.181 -19.361 1.00 0.00 H new ATOM 0 HD3 ARG B 16 10.709 -3.978 -19.128 1.00 0.00 H new ATOM 0 HE ARG B 16 11.814 -1.505 -20.084 1.00 0.00 H new ATOM 0 HH11 ARG B 16 11.093 -4.806 -21.209 1.00 0.00 H new ATOM 0 HH12 ARG B 16 10.877 -4.303 -22.889 1.00 0.00 H new ATOM 0 HH21 ARG B 16 11.527 -0.876 -22.245 1.00 0.00 H new ATOM 0 HH22 ARG B 16 11.123 -2.079 -23.475 1.00 0.00 H new ATOM 204 N ARG B 17 10.091 0.633 -14.670 1.00 0.00 N ATOM 205 CA ARG B 17 9.180 1.650 -14.168 1.00 0.00 C ATOM 206 C ARG B 17 9.848 2.304 -12.957 1.00 0.00 C ATOM 207 O ARG B 17 10.258 3.461 -13.020 1.00 0.00 O ATOM 208 CB ARG B 17 7.827 1.013 -13.798 1.00 0.00 C ATOM 209 CG ARG B 17 6.834 2.026 -13.205 1.00 0.00 C ATOM 210 CD ARG B 17 5.633 1.302 -12.587 1.00 0.00 C ATOM 211 NE ARG B 17 6.050 0.489 -11.434 1.00 0.00 N ATOM 212 CZ ARG B 17 6.171 0.905 -10.163 1.00 0.00 C ATOM 213 NH1 ARG B 17 5.752 2.116 -9.770 1.00 0.00 N ATOM 214 NH2 ARG B 17 6.739 0.089 -9.270 1.00 0.00 N ATOM 0 H ARG B 17 10.880 0.472 -14.044 1.00 0.00 H new ATOM 0 HA ARG B 17 8.976 2.406 -14.926 1.00 0.00 H new ATOM 0 HB2 ARG B 17 7.389 0.559 -14.687 1.00 0.00 H new ATOM 0 HB3 ARG B 17 7.993 0.210 -13.079 1.00 0.00 H new ATOM 0 HG2 ARG B 17 7.331 2.630 -12.446 1.00 0.00 H new ATOM 0 HG3 ARG B 17 6.493 2.709 -13.984 1.00 0.00 H new ATOM 0 HD2 ARG B 17 4.886 2.031 -12.273 1.00 0.00 H new ATOM 0 HD3 ARG B 17 5.162 0.665 -13.336 1.00 0.00 H new ATOM 0 HE ARG B 17 6.269 -0.490 -11.619 1.00 0.00 H new ATOM 0 HH11 ARG B 17 5.326 2.752 -10.444 1.00 0.00 H new ATOM 0 HH12 ARG B 17 5.859 2.401 -8.797 1.00 0.00 H new ATOM 0 HH21 ARG B 17 7.071 -0.831 -9.559 1.00 0.00 H new ATOM 0 HH22 ARG B 17 6.840 0.386 -8.300 1.00 0.00 H new ATOM 228 N ARG B 18 9.942 1.546 -11.859 1.00 0.00 N ATOM 229 CA ARG B 18 10.464 1.970 -10.569 1.00 0.00 C ATOM 230 C ARG B 18 10.517 0.729 -9.681 1.00 0.00 C ATOM 231 O ARG B 18 9.656 -0.138 -9.800 1.00 0.00 O ATOM 232 CB ARG B 18 9.543 3.038 -9.959 1.00 0.00 C ATOM 233 CG ARG B 18 9.985 3.459 -8.554 1.00 0.00 C ATOM 234 CD ARG B 18 9.103 4.598 -8.042 1.00 0.00 C ATOM 235 NE ARG B 18 9.519 5.013 -6.698 1.00 0.00 N ATOM 236 CZ ARG B 18 9.053 6.095 -6.054 1.00 0.00 C ATOM 237 NH1 ARG B 18 8.098 6.862 -6.595 1.00 0.00 N ATOM 238 NH2 ARG B 18 9.538 6.414 -4.850 1.00 0.00 N ATOM 0 H ARG B 18 9.639 0.572 -11.853 1.00 0.00 H new ATOM 0 HA ARG B 18 11.456 2.410 -10.668 1.00 0.00 H new ATOM 0 HB2 ARG B 18 9.526 3.913 -10.609 1.00 0.00 H new ATOM 0 HB3 ARG B 18 8.524 2.653 -9.916 1.00 0.00 H new ATOM 0 HG2 ARG B 18 9.923 2.608 -7.875 1.00 0.00 H new ATOM 0 HG3 ARG B 18 11.027 3.777 -8.573 1.00 0.00 H new ATOM 0 HD2 ARG B 18 9.163 5.446 -8.724 1.00 0.00 H new ATOM 0 HD3 ARG B 18 8.061 4.277 -8.023 1.00 0.00 H new ATOM 0 HE ARG B 18 10.212 4.438 -6.218 1.00 0.00 H new ATOM 0 HH11 ARG B 18 7.713 6.628 -7.510 1.00 0.00 H new ATOM 0 HH12 ARG B 18 7.755 7.681 -6.092 1.00 0.00 H new ATOM 0 HH21 ARG B 18 10.261 5.836 -4.422 1.00 0.00 H new ATOM 0 HH22 ARG B 18 9.185 7.236 -4.359 1.00 0.00 H new ATOM 252 N SER B 19 11.507 0.647 -8.785 1.00 0.00 N ATOM 253 CA SER B 19 11.603 -0.411 -7.794 1.00 0.00 C ATOM 254 C SER B 19 10.356 -0.400 -6.903 1.00 0.00 C ATOM 255 O SER B 19 10.156 0.529 -6.122 1.00 0.00 O ATOM 256 CB SER B 19 12.889 -0.217 -6.982 1.00 0.00 C ATOM 257 OG SER B 19 13.024 1.128 -6.566 1.00 0.00 O ATOM 0 H SER B 19 12.268 1.324 -8.734 1.00 0.00 H new ATOM 0 HA SER B 19 11.649 -1.386 -8.279 1.00 0.00 H new ATOM 0 HB2 SER B 19 12.876 -0.872 -6.111 1.00 0.00 H new ATOM 0 HB3 SER B 19 13.751 -0.504 -7.584 1.00 0.00 H new ATOM 0 HG SER B 19 12.159 1.460 -6.246 1.00 0.00 H new ATOM 263 N GLN B 20 9.498 -1.418 -7.050 1.00 0.00 N ATOM 264 CA GLN B 20 8.221 -1.476 -6.355 1.00 0.00 C ATOM 265 C GLN B 20 8.370 -1.693 -4.850 1.00 0.00 C ATOM 266 O GLN B 20 9.459 -1.950 -4.339 1.00 0.00 O ATOM 267 CB GLN B 20 7.309 -2.540 -6.980 1.00 0.00 C ATOM 268 CG GLN B 20 7.862 -3.964 -6.839 1.00 0.00 C ATOM 269 CD GLN B 20 6.933 -4.969 -7.511 1.00 0.00 C ATOM 270 OE1 GLN B 20 6.176 -5.665 -6.838 1.00 0.00 O ATOM 271 NE2 GLN B 20 6.983 -5.041 -8.841 1.00 0.00 N ATOM 0 H GLN B 20 9.676 -2.220 -7.655 1.00 0.00 H new ATOM 0 HA GLN B 20 7.753 -0.499 -6.478 1.00 0.00 H new ATOM 0 HB2 GLN B 20 6.327 -2.490 -6.510 1.00 0.00 H new ATOM 0 HB3 GLN B 20 7.168 -2.314 -8.037 1.00 0.00 H new ATOM 0 HG2 GLN B 20 8.854 -4.021 -7.288 1.00 0.00 H new ATOM 0 HG3 GLN B 20 7.975 -4.214 -5.784 1.00 0.00 H new ATOM 0 HE21 GLN B 20 7.627 -4.444 -9.360 1.00 0.00 H new ATOM 0 HE22 GLN B 20 6.377 -5.693 -9.340 1.00 0.00 H new ATOM 280 N LEU B 21 7.230 -1.604 -4.160 1.00 0.00 N ATOM 281 CA LEU B 21 7.087 -1.830 -2.732 1.00 0.00 C ATOM 282 C LEU B 21 7.979 -0.891 -1.905 1.00 0.00 C ATOM 283 O LEU B 21 8.539 -1.281 -0.881 1.00 0.00 O ATOM 284 CB LEU B 21 7.278 -3.332 -2.432 1.00 0.00 C ATOM 285 CG LEU B 21 6.113 -3.852 -1.586 1.00 0.00 C ATOM 286 CD1 LEU B 21 6.121 -5.381 -1.471 1.00 0.00 C ATOM 287 CD2 LEU B 21 6.140 -3.225 -0.188 1.00 0.00 C ATOM 0 H LEU B 21 6.346 -1.361 -4.608 1.00 0.00 H new ATOM 0 HA LEU B 21 6.076 -1.570 -2.417 1.00 0.00 H new ATOM 0 HB2 LEU B 21 7.338 -3.892 -3.365 1.00 0.00 H new ATOM 0 HB3 LEU B 21 8.219 -3.489 -1.905 1.00 0.00 H new ATOM 0 HG LEU B 21 5.194 -3.561 -2.095 1.00 0.00 H new ATOM 0 HD11 LEU B 21 5.277 -5.704 -0.862 1.00 0.00 H new ATOM 0 HD12 LEU B 21 6.041 -5.821 -2.465 1.00 0.00 H new ATOM 0 HD13 LEU B 21 7.051 -5.706 -1.004 1.00 0.00 H new ATOM 0 HD21 LEU B 21 5.304 -3.607 0.398 1.00 0.00 H new ATOM 0 HD22 LEU B 21 7.077 -3.480 0.307 1.00 0.00 H new ATOM 0 HD23 LEU B 21 6.058 -2.141 -0.274 1.00 0.00 H new ATOM 299 N ASP B 22 8.084 0.366 -2.353 1.00 0.00 N ATOM 300 CA ASP B 22 8.885 1.408 -1.726 1.00 0.00 C ATOM 301 C ASP B 22 8.151 1.973 -0.500 1.00 0.00 C ATOM 302 O ASP B 22 7.090 1.480 -0.112 1.00 0.00 O ATOM 303 CB ASP B 22 9.170 2.482 -2.795 1.00 0.00 C ATOM 304 CG ASP B 22 10.336 3.423 -2.484 1.00 0.00 C ATOM 305 OD1 ASP B 22 10.993 3.224 -1.438 1.00 0.00 O ATOM 306 OD2 ASP B 22 10.545 4.339 -3.308 1.00 0.00 O ATOM 0 H ASP B 22 7.596 0.689 -3.188 1.00 0.00 H new ATOM 0 HA ASP B 22 9.833 1.016 -1.359 1.00 0.00 H new ATOM 0 HB2 ASP B 22 9.371 1.983 -3.743 1.00 0.00 H new ATOM 0 HB3 ASP B 22 8.269 3.080 -2.934 1.00 0.00 H new ATOM 311 N ARG B 23 8.716 3.015 0.119 1.00 0.00 N ATOM 312 CA ARG B 23 8.053 3.795 1.156 1.00 0.00 C ATOM 313 C ARG B 23 7.095 4.799 0.523 1.00 0.00 C ATOM 314 O ARG B 23 6.162 5.244 1.173 1.00 0.00 O ATOM 315 CB ARG B 23 9.064 4.552 2.017 1.00 0.00 C ATOM 316 CG ARG B 23 10.241 3.705 2.497 1.00 0.00 C ATOM 317 CD ARG B 23 9.845 2.403 3.207 1.00 0.00 C ATOM 318 NE ARG B 23 9.760 1.276 2.265 1.00 0.00 N ATOM 319 CZ ARG B 23 10.808 0.598 1.766 1.00 0.00 C ATOM 320 NH1 ARG B 23 12.062 0.902 2.130 1.00 0.00 N ATOM 321 NH2 ARG B 23 10.603 -0.392 0.887 1.00 0.00 N ATOM 0 H ARG B 23 9.659 3.340 -0.093 1.00 0.00 H new ATOM 0 HA ARG B 23 7.503 3.099 1.790 1.00 0.00 H new ATOM 0 HB2 ARG B 23 9.449 5.397 1.446 1.00 0.00 H new ATOM 0 HB3 ARG B 23 8.549 4.962 2.886 1.00 0.00 H new ATOM 0 HG2 ARG B 23 10.868 3.460 1.640 1.00 0.00 H new ATOM 0 HG3 ARG B 23 10.849 4.303 3.176 1.00 0.00 H new ATOM 0 HD2 ARG B 23 10.575 2.175 3.983 1.00 0.00 H new ATOM 0 HD3 ARG B 23 8.884 2.536 3.703 1.00 0.00 H new ATOM 0 HE ARG B 23 8.829 0.985 1.966 1.00 0.00 H new ATOM 0 HH11 ARG B 23 12.231 1.657 2.795 1.00 0.00 H new ATOM 0 HH12 ARG B 23 12.847 0.378 1.742 1.00 0.00 H new ATOM 0 HH21 ARG B 23 9.654 -0.629 0.598 1.00 0.00 H new ATOM 0 HH22 ARG B 23 11.396 -0.908 0.506 1.00 0.00 H new ATOM 335 N ASP B 24 7.338 5.165 -0.735 1.00 0.00 N ATOM 336 CA ASP B 24 6.467 6.012 -1.532 1.00 0.00 C ATOM 337 C ASP B 24 5.155 5.284 -1.859 1.00 0.00 C ATOM 338 O ASP B 24 4.083 5.736 -1.462 1.00 0.00 O ATOM 339 CB ASP B 24 7.245 6.414 -2.791 1.00 0.00 C ATOM 340 CG ASP B 24 6.569 7.485 -3.645 1.00 0.00 C ATOM 341 OD1 ASP B 24 5.321 7.514 -3.685 1.00 0.00 O ATOM 342 OD2 ASP B 24 7.332 8.246 -4.280 1.00 0.00 O ATOM 0 H ASP B 24 8.174 4.868 -1.238 1.00 0.00 H new ATOM 0 HA ASP B 24 6.182 6.910 -0.984 1.00 0.00 H new ATOM 0 HB2 ASP B 24 8.230 6.774 -2.493 1.00 0.00 H new ATOM 0 HB3 ASP B 24 7.402 5.526 -3.403 1.00 0.00 H new ATOM 347 N GLN B 25 5.247 4.170 -2.598 1.00 0.00 N ATOM 348 CA GLN B 25 4.110 3.467 -3.188 1.00 0.00 C ATOM 349 C GLN B 25 3.652 2.261 -2.357 1.00 0.00 C ATOM 350 O GLN B 25 4.343 1.820 -1.439 1.00 0.00 O ATOM 351 CB GLN B 25 4.452 3.052 -4.626 1.00 0.00 C ATOM 352 CG GLN B 25 5.755 2.248 -4.699 1.00 0.00 C ATOM 353 CD GLN B 25 5.827 1.425 -5.977 1.00 0.00 C ATOM 354 OE1 GLN B 25 6.476 1.816 -6.945 1.00 0.00 O ATOM 355 NE2 GLN B 25 5.164 0.267 -5.976 1.00 0.00 N ATOM 0 H GLN B 25 6.141 3.724 -2.805 1.00 0.00 H new ATOM 0 HA GLN B 25 3.267 4.157 -3.198 1.00 0.00 H new ATOM 0 HB2 GLN B 25 3.636 2.457 -5.035 1.00 0.00 H new ATOM 0 HB3 GLN B 25 4.540 3.942 -5.249 1.00 0.00 H new ATOM 0 HG2 GLN B 25 6.607 2.927 -4.653 1.00 0.00 H new ATOM 0 HG3 GLN B 25 5.826 1.588 -3.835 1.00 0.00 H new ATOM 0 HE21 GLN B 25 4.638 -0.019 -5.150 1.00 0.00 H new ATOM 0 HE22 GLN B 25 5.183 -0.333 -6.801 1.00 0.00 H new ATOM 364 N CYS B 26 2.456 1.757 -2.692 1.00 0.00 N ATOM 365 CA CYS B 26 1.717 0.726 -1.970 1.00 0.00 C ATOM 366 C CYS B 26 2.486 -0.586 -1.833 1.00 0.00 C ATOM 367 O CYS B 26 3.429 -0.865 -2.573 1.00 0.00 O ATOM 368 CB CYS B 26 0.357 0.527 -2.659 1.00 0.00 C ATOM 369 SG CYS B 26 -0.838 -0.624 -1.918 1.00 0.00 S ATOM 0 H CYS B 26 1.956 2.079 -3.520 1.00 0.00 H new ATOM 0 HA CYS B 26 1.566 1.065 -0.945 1.00 0.00 H new ATOM 0 HB2 CYS B 26 -0.124 1.503 -2.729 1.00 0.00 H new ATOM 0 HB3 CYS B 26 0.549 0.193 -3.679 1.00 0.00 H new ATOM 374 N ALA B 27 2.061 -1.372 -0.841 1.00 0.00 N ATOM 375 CA ALA B 27 2.634 -2.645 -0.449 1.00 0.00 C ATOM 376 C ALA B 27 1.809 -3.813 -0.981 1.00 0.00 C ATOM 377 O ALA B 27 2.359 -4.843 -1.364 1.00 0.00 O ATOM 378 CB ALA B 27 2.688 -2.705 1.077 1.00 0.00 C ATOM 0 H ALA B 27 1.262 -1.115 -0.262 1.00 0.00 H new ATOM 0 HA ALA B 27 3.636 -2.726 -0.871 1.00 0.00 H new ATOM 0 HB1 ALA B 27 3.117 -3.657 1.389 1.00 0.00 H new ATOM 0 HB2 ALA B 27 3.306 -1.889 1.452 1.00 0.00 H new ATOM 0 HB3 ALA B 27 1.680 -2.612 1.481 1.00 0.00 H new ATOM 384 N TYR B 28 0.484 -3.649 -0.960 1.00 0.00 N ATOM 385 CA TYR B 28 -0.496 -4.673 -1.272 1.00 0.00 C ATOM 386 C TYR B 28 -0.576 -4.913 -2.771 1.00 0.00 C ATOM 387 O TYR B 28 -0.471 -6.045 -3.239 1.00 0.00 O ATOM 388 CB TYR B 28 -1.858 -4.198 -0.756 1.00 0.00 C ATOM 389 CG TYR B 28 -2.935 -5.267 -0.788 1.00 0.00 C ATOM 390 CD1 TYR B 28 -2.870 -6.362 0.092 1.00 0.00 C ATOM 391 CD2 TYR B 28 -3.987 -5.187 -1.719 1.00 0.00 C ATOM 392 CE1 TYR B 28 -3.811 -7.402 -0.001 1.00 0.00 C ATOM 393 CE2 TYR B 28 -4.918 -6.235 -1.827 1.00 0.00 C ATOM 394 CZ TYR B 28 -4.823 -7.348 -0.975 1.00 0.00 C ATOM 395 OH TYR B 28 -5.715 -8.374 -1.095 1.00 0.00 O ATOM 0 H TYR B 28 0.054 -2.758 -0.713 1.00 0.00 H new ATOM 0 HA TYR B 28 -0.205 -5.610 -0.798 1.00 0.00 H new ATOM 0 HB2 TYR B 28 -1.744 -3.842 0.268 1.00 0.00 H new ATOM 0 HB3 TYR B 28 -2.186 -3.348 -1.354 1.00 0.00 H new ATOM 0 HD1 TYR B 28 -2.094 -6.404 0.842 1.00 0.00 H new ATOM 0 HD2 TYR B 28 -4.080 -4.317 -2.353 1.00 0.00 H new ATOM 0 HE1 TYR B 28 -3.756 -8.242 0.676 1.00 0.00 H new ATOM 0 HE2 TYR B 28 -5.706 -6.184 -2.564 1.00 0.00 H new ATOM 0 HH TYR B 28 -6.348 -8.175 -1.816 1.00 0.00 H new ATOM 405 N CYS B 29 -0.798 -3.816 -3.496 1.00 0.00 N ATOM 406 CA CYS B 29 -1.111 -3.781 -4.913 1.00 0.00 C ATOM 407 C CYS B 29 -0.112 -2.914 -5.680 1.00 0.00 C ATOM 408 O CYS B 29 -0.011 -3.062 -6.896 1.00 0.00 O ATOM 409 CB CYS B 29 -2.551 -3.299 -5.110 1.00 0.00 C ATOM 410 SG CYS B 29 -2.785 -1.507 -5.110 1.00 0.00 S ATOM 0 H CYS B 29 -0.761 -2.884 -3.084 1.00 0.00 H new ATOM 0 HA CYS B 29 -1.027 -4.789 -5.319 1.00 0.00 H new ATOM 0 HB2 CYS B 29 -2.921 -3.695 -6.056 1.00 0.00 H new ATOM 0 HB3 CYS B 29 -3.169 -3.728 -4.321 1.00 0.00 H new ATOM 415 N LYS B 30 0.650 -2.050 -4.983 1.00 0.00 N ATOM 416 CA LYS B 30 1.775 -1.331 -5.571 1.00 0.00 C ATOM 417 C LYS B 30 1.308 -0.305 -6.617 1.00 0.00 C ATOM 418 O LYS B 30 1.955 -0.131 -7.649 1.00 0.00 O ATOM 419 CB LYS B 30 2.824 -2.310 -6.138 1.00 0.00 C ATOM 420 CG LYS B 30 3.440 -3.310 -5.146 1.00 0.00 C ATOM 421 CD LYS B 30 2.513 -4.470 -4.758 1.00 0.00 C ATOM 422 CE LYS B 30 3.269 -5.661 -4.159 1.00 0.00 C ATOM 423 NZ LYS B 30 3.995 -6.440 -5.178 1.00 0.00 N ATOM 0 H LYS B 30 0.496 -1.837 -3.997 1.00 0.00 H new ATOM 0 HA LYS B 30 2.261 -0.764 -4.777 1.00 0.00 H new ATOM 0 HB2 LYS B 30 2.361 -2.875 -6.947 1.00 0.00 H new ATOM 0 HB3 LYS B 30 3.632 -1.726 -6.579 1.00 0.00 H new ATOM 0 HG2 LYS B 30 4.352 -3.719 -5.581 1.00 0.00 H new ATOM 0 HG3 LYS B 30 3.730 -2.775 -4.242 1.00 0.00 H new ATOM 0 HD2 LYS B 30 1.776 -4.114 -4.038 1.00 0.00 H new ATOM 0 HD3 LYS B 30 1.964 -4.801 -5.640 1.00 0.00 H new ATOM 0 HE2 LYS B 30 3.975 -5.300 -3.411 1.00 0.00 H new ATOM 0 HE3 LYS B 30 2.564 -6.312 -3.643 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 4.419 -7.280 -4.736 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 3.334 -6.738 -5.924 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 4.745 -5.853 -5.595 1.00 0.00 H new ATOM 437 N GLU B 31 0.191 0.384 -6.343 1.00 0.00 N ATOM 438 CA GLU B 31 -0.404 1.360 -7.248 1.00 0.00 C ATOM 439 C GLU B 31 0.409 2.658 -7.323 1.00 0.00 C ATOM 440 O GLU B 31 1.307 2.900 -6.516 1.00 0.00 O ATOM 441 CB GLU B 31 -1.848 1.669 -6.815 1.00 0.00 C ATOM 442 CG GLU B 31 -2.803 1.721 -8.014 1.00 0.00 C ATOM 443 CD GLU B 31 -4.197 2.171 -7.595 1.00 0.00 C ATOM 444 OE1 GLU B 31 -4.340 3.377 -7.299 1.00 0.00 O ATOM 445 OE2 GLU B 31 -5.092 1.300 -7.554 1.00 0.00 O ATOM 0 H GLU B 31 -0.327 0.272 -5.472 1.00 0.00 H new ATOM 0 HA GLU B 31 -0.404 0.919 -8.245 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -2.188 0.908 -6.112 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -1.873 2.623 -6.288 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -2.409 2.405 -8.766 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -2.861 0.736 -8.478 1.00 0.00 H new ATOM 452 N LYS B 32 0.021 3.485 -8.300 1.00 0.00 N ATOM 453 CA LYS B 32 0.431 4.848 -8.610 1.00 0.00 C ATOM 454 C LYS B 32 1.194 5.582 -7.512 1.00 0.00 C ATOM 455 O LYS B 32 2.363 5.921 -7.685 1.00 0.00 O ATOM 456 CB LYS B 32 -0.821 5.625 -9.059 1.00 0.00 C ATOM 457 CG LYS B 32 -1.957 5.812 -8.037 1.00 0.00 C ATOM 458 CD LYS B 32 -3.314 6.032 -8.722 1.00 0.00 C ATOM 459 CE LYS B 32 -3.357 7.258 -9.643 1.00 0.00 C ATOM 460 NZ LYS B 32 -3.059 8.508 -8.921 1.00 0.00 N ATOM 0 H LYS B 32 -0.676 3.168 -8.973 1.00 0.00 H new ATOM 0 HA LYS B 32 1.171 4.786 -9.408 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -0.501 6.614 -9.388 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -1.235 5.118 -9.930 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -2.014 4.935 -7.393 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -1.732 6.664 -7.396 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -3.564 5.145 -9.304 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -4.083 6.138 -7.957 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -2.638 7.128 -10.452 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -4.343 7.331 -10.101 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -3.133 9.313 -9.575 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -3.739 8.630 -8.144 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -2.095 8.464 -8.534 1.00 0.00 H new ATOM 474 N GLY B 33 0.503 5.861 -6.408 1.00 0.00 N ATOM 475 CA GLY B 33 0.999 6.737 -5.362 1.00 0.00 C ATOM 476 C GLY B 33 0.240 6.631 -4.041 1.00 0.00 C ATOM 477 O GLY B 33 0.696 7.226 -3.066 1.00 0.00 O ATOM 0 H GLY B 33 -0.424 5.480 -6.218 1.00 0.00 H new ATOM 0 HA2 GLY B 33 2.050 6.511 -5.183 1.00 0.00 H new ATOM 0 HA3 GLY B 33 0.950 7.768 -5.714 1.00 0.00 H new ATOM 481 N HIS B 34 -0.881 5.889 -3.964 1.00 0.00 N ATOM 482 CA HIS B 34 -1.462 5.613 -2.649 1.00 0.00 C ATOM 483 C HIS B 34 -0.569 4.602 -1.921 1.00 0.00 C ATOM 484 O HIS B 34 0.409 4.110 -2.488 1.00 0.00 O ATOM 485 CB HIS B 34 -2.942 5.182 -2.707 1.00 0.00 C ATOM 486 CG HIS B 34 -3.221 3.771 -3.173 1.00 0.00 C ATOM 487 ND1 HIS B 34 -4.129 3.425 -4.149 1.00 0.00 N ATOM 488 CD2 HIS B 34 -2.737 2.565 -2.749 1.00 0.00 C ATOM 489 CE1 HIS B 34 -4.069 2.087 -4.252 1.00 0.00 C ATOM 490 NE2 HIS B 34 -3.259 1.453 -3.390 1.00 0.00 N ATOM 0 H HIS B 34 -1.379 5.489 -4.759 1.00 0.00 H new ATOM 0 HA HIS B 34 -1.487 6.542 -2.079 1.00 0.00 H new ATOM 0 HB2 HIS B 34 -3.371 5.303 -1.712 1.00 0.00 H new ATOM 0 HB3 HIS B 34 -3.471 5.869 -3.367 1.00 0.00 H new ATOM 0 HD1 HIS B 34 -4.725 4.056 -4.684 1.00 0.00 H new ATOM 0 HD2 HIS B 34 -1.997 2.484 -1.967 1.00 0.00 H new ATOM 0 HE1 HIS B 34 -4.644 1.549 -4.991 1.00 0.00 H new ATOM 498 N TRP B 35 -0.917 4.277 -0.672 1.00 0.00 N ATOM 499 CA TRP B 35 -0.159 3.349 0.152 1.00 0.00 C ATOM 500 C TRP B 35 -1.019 2.178 0.622 1.00 0.00 C ATOM 501 O TRP B 35 -2.228 2.165 0.411 1.00 0.00 O ATOM 502 CB TRP B 35 0.432 4.140 1.327 1.00 0.00 C ATOM 503 CG TRP B 35 1.894 3.999 1.585 1.00 0.00 C ATOM 504 CD1 TRP B 35 2.855 3.719 0.679 1.00 0.00 C ATOM 505 CD2 TRP B 35 2.584 4.162 2.849 1.00 0.00 C ATOM 506 NE1 TRP B 35 4.075 3.606 1.308 1.00 0.00 N ATOM 507 CE2 TRP B 35 3.967 3.898 2.650 1.00 0.00 C ATOM 508 CE3 TRP B 35 2.182 4.547 4.140 1.00 0.00 C ATOM 509 CZ2 TRP B 35 4.900 3.968 3.691 1.00 0.00 C ATOM 510 CZ3 TRP B 35 3.103 4.608 5.194 1.00 0.00 C ATOM 511 CH2 TRP B 35 4.452 4.284 4.979 1.00 0.00 C ATOM 0 H TRP B 35 -1.741 4.658 -0.207 1.00 0.00 H new ATOM 0 HA TRP B 35 0.647 2.904 -0.432 1.00 0.00 H new ATOM 0 HB2 TRP B 35 0.220 5.196 1.162 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -0.099 3.846 2.232 1.00 0.00 H new ATOM 0 HD1 TRP B 35 2.691 3.601 -0.382 1.00 0.00 H new ATOM 0 HE1 TRP B 35 4.943 3.341 0.842 1.00 0.00 H new ATOM 0 HE3 TRP B 35 1.148 4.799 4.322 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 5.947 3.781 3.504 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 2.773 4.906 6.178 1.00 0.00 H new ATOM 0 HH2 TRP B 35 5.144 4.279 5.808 1.00 0.00 H new ATOM 522 N ALA B 36 -0.395 1.190 1.273 1.00 0.00 N ATOM 523 CA ALA B 36 -1.085 0.024 1.810 1.00 0.00 C ATOM 524 C ALA B 36 -2.023 0.493 2.912 1.00 0.00 C ATOM 525 O ALA B 36 -3.117 -0.036 3.091 1.00 0.00 O ATOM 526 CB ALA B 36 -0.078 -1.012 2.300 1.00 0.00 C ATOM 0 H ALA B 36 0.611 1.182 1.440 1.00 0.00 H new ATOM 0 HA ALA B 36 -1.676 -0.467 1.036 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -0.610 -1.876 2.698 1.00 0.00 H new ATOM 0 HB2 ALA B 36 0.555 -1.326 1.470 1.00 0.00 H new ATOM 0 HB3 ALA B 36 0.542 -0.575 3.083 1.00 0.00 H new ATOM 532 N LYS B 37 -1.587 1.557 3.588 1.00 0.00 N ATOM 533 CA LYS B 37 -2.319 2.359 4.529 1.00 0.00 C ATOM 534 C LYS B 37 -3.721 2.714 4.011 1.00 0.00 C ATOM 535 O LYS B 37 -4.704 2.616 4.743 1.00 0.00 O ATOM 536 CB LYS B 37 -1.464 3.615 4.713 1.00 0.00 C ATOM 537 CG LYS B 37 -1.821 4.307 6.014 1.00 0.00 C ATOM 538 CD LYS B 37 -1.122 5.667 6.149 1.00 0.00 C ATOM 539 CE LYS B 37 -1.319 6.278 7.538 1.00 0.00 C ATOM 540 NZ LYS B 37 -2.739 6.517 7.850 1.00 0.00 N ATOM 0 H LYS B 37 -0.632 1.895 3.471 1.00 0.00 H new ATOM 0 HA LYS B 37 -2.486 1.828 5.466 1.00 0.00 H new ATOM 0 HB2 LYS B 37 -0.407 3.347 4.713 1.00 0.00 H new ATOM 0 HB3 LYS B 37 -1.620 4.296 3.876 1.00 0.00 H new ATOM 0 HG2 LYS B 37 -2.901 4.447 6.066 1.00 0.00 H new ATOM 0 HG3 LYS B 37 -1.541 3.670 6.853 1.00 0.00 H new ATOM 0 HD2 LYS B 37 -0.056 5.548 5.953 1.00 0.00 H new ATOM 0 HD3 LYS B 37 -1.510 6.351 5.394 1.00 0.00 H new ATOM 0 HE2 LYS B 37 -0.892 5.613 8.288 1.00 0.00 H new ATOM 0 HE3 LYS B 37 -0.773 7.219 7.599 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 -2.820 6.947 8.794 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 -3.147 7.159 7.141 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 -3.254 5.614 7.836 1.00 0.00 H new ATOM 554 N ASP B 38 -3.783 3.141 2.746 1.00 0.00 N ATOM 555 CA ASP B 38 -4.935 3.733 2.082 1.00 0.00 C ATOM 556 C ASP B 38 -5.646 2.766 1.129 1.00 0.00 C ATOM 557 O ASP B 38 -6.807 2.984 0.792 1.00 0.00 O ATOM 558 CB ASP B 38 -4.392 4.892 1.238 1.00 0.00 C ATOM 559 CG ASP B 38 -5.510 5.739 0.638 1.00 0.00 C ATOM 560 OD1 ASP B 38 -6.112 6.513 1.413 1.00 0.00 O ATOM 561 OD2 ASP B 38 -5.738 5.597 -0.583 1.00 0.00 O ATOM 0 H ASP B 38 -2.977 3.076 2.125 1.00 0.00 H new ATOM 0 HA ASP B 38 -5.658 4.032 2.841 1.00 0.00 H new ATOM 0 HB2 ASP B 38 -3.753 5.522 1.857 1.00 0.00 H new ATOM 0 HB3 ASP B 38 -3.769 4.495 0.437 1.00 0.00 H new ATOM 566 N CYS B 39 -4.933 1.723 0.686 1.00 0.00 N ATOM 567 CA CYS B 39 -5.283 0.837 -0.402 1.00 0.00 C ATOM 568 C CYS B 39 -6.777 0.486 -0.507 1.00 0.00 C ATOM 569 O CYS B 39 -7.338 -0.087 0.428 1.00 0.00 O ATOM 570 CB CYS B 39 -4.442 -0.422 -0.294 1.00 0.00 C ATOM 571 SG CYS B 39 -4.508 -1.461 -1.773 1.00 0.00 S ATOM 0 H CYS B 39 -4.042 1.470 1.113 1.00 0.00 H new ATOM 0 HA CYS B 39 -5.069 1.380 -1.323 1.00 0.00 H new ATOM 0 HB2 CYS B 39 -3.406 -0.142 -0.102 1.00 0.00 H new ATOM 0 HB3 CYS B 39 -4.780 -1.003 0.564 1.00 0.00 H new ATOM 576 N PRO B 40 -7.415 0.808 -1.646 1.00 0.00 N ATOM 577 CA PRO B 40 -8.802 0.512 -1.951 1.00 0.00 C ATOM 578 C PRO B 40 -9.000 -0.938 -2.415 1.00 0.00 C ATOM 579 O PRO B 40 -10.072 -1.499 -2.197 1.00 0.00 O ATOM 580 CB PRO B 40 -9.168 1.519 -3.032 1.00 0.00 C ATOM 581 CG PRO B 40 -7.884 1.643 -3.844 1.00 0.00 C ATOM 582 CD PRO B 40 -6.814 1.508 -2.765 1.00 0.00 C ATOM 0 HA PRO B 40 -9.443 0.598 -1.074 1.00 0.00 H new ATOM 0 HB2 PRO B 40 -9.999 1.168 -3.644 1.00 0.00 H new ATOM 0 HB3 PRO B 40 -9.468 2.476 -2.605 1.00 0.00 H new ATOM 0 HG2 PRO B 40 -7.802 0.862 -4.600 1.00 0.00 H new ATOM 0 HG3 PRO B 40 -7.821 2.599 -4.364 1.00 0.00 H new ATOM 0 HD2 PRO B 40 -5.953 0.958 -3.145 1.00 0.00 H new ATOM 0 HD3 PRO B 40 -6.454 2.489 -2.456 1.00 0.00 H new ATOM 590 N LYS B 41 -7.976 -1.538 -3.043 1.00 0.00 N ATOM 591 CA LYS B 41 -7.967 -2.932 -3.485 1.00 0.00 C ATOM 592 C LYS B 41 -8.047 -3.869 -2.275 1.00 0.00 C ATOM 593 O LYS B 41 -8.662 -4.932 -2.340 1.00 0.00 O ATOM 594 CB LYS B 41 -6.673 -3.239 -4.259 1.00 0.00 C ATOM 595 CG LYS B 41 -6.417 -2.373 -5.501 1.00 0.00 C ATOM 596 CD LYS B 41 -7.385 -2.715 -6.637 1.00 0.00 C ATOM 597 CE LYS B 41 -6.988 -2.047 -7.959 1.00 0.00 C ATOM 598 NZ LYS B 41 -7.027 -0.576 -7.884 1.00 0.00 N ATOM 0 H LYS B 41 -7.109 -1.048 -3.261 1.00 0.00 H new ATOM 0 HA LYS B 41 -8.829 -3.089 -4.134 1.00 0.00 H new ATOM 0 HB2 LYS B 41 -5.829 -3.124 -3.579 1.00 0.00 H new ATOM 0 HB3 LYS B 41 -6.695 -4.285 -4.566 1.00 0.00 H new ATOM 0 HG2 LYS B 41 -6.521 -1.320 -5.239 1.00 0.00 H new ATOM 0 HG3 LYS B 41 -5.391 -2.517 -5.841 1.00 0.00 H new ATOM 0 HD2 LYS B 41 -7.415 -3.796 -6.773 1.00 0.00 H new ATOM 0 HD3 LYS B 41 -8.392 -2.400 -6.361 1.00 0.00 H new ATOM 0 HE2 LYS B 41 -5.983 -2.367 -8.236 1.00 0.00 H new ATOM 0 HE3 LYS B 41 -7.659 -2.385 -8.749 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 -7.420 -0.194 -8.768 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 -7.625 -0.285 -7.085 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 -6.063 -0.210 -7.747 1.00 0.00 H new ATOM 612 N LYS B 42 -7.394 -3.454 -1.185 1.00 0.00 N ATOM 613 CA LYS B 42 -7.269 -4.139 0.088 1.00 0.00 C ATOM 614 C LYS B 42 -8.643 -4.554 0.627 1.00 0.00 C ATOM 615 O LYS B 42 -9.619 -3.847 0.384 1.00 0.00 O ATOM 616 CB LYS B 42 -6.571 -3.166 1.052 1.00 0.00 C ATOM 617 CG LYS B 42 -5.534 -3.810 1.971 1.00 0.00 C ATOM 618 CD LYS B 42 -4.681 -2.833 2.790 1.00 0.00 C ATOM 619 CE LYS B 42 -5.514 -1.880 3.663 1.00 0.00 C ATOM 620 NZ LYS B 42 -5.892 -0.640 2.959 1.00 0.00 N ATOM 0 H LYS B 42 -6.904 -2.560 -1.178 1.00 0.00 H new ATOM 0 HA LYS B 42 -6.689 -5.055 -0.023 1.00 0.00 H new ATOM 0 HB2 LYS B 42 -6.084 -2.385 0.468 1.00 0.00 H new ATOM 0 HB3 LYS B 42 -7.328 -2.679 1.666 1.00 0.00 H new ATOM 0 HG2 LYS B 42 -6.050 -4.480 2.659 1.00 0.00 H new ATOM 0 HG3 LYS B 42 -4.869 -4.426 1.365 1.00 0.00 H new ATOM 0 HD2 LYS B 42 -4.004 -3.400 3.428 1.00 0.00 H new ATOM 0 HD3 LYS B 42 -4.062 -2.245 2.112 1.00 0.00 H new ATOM 0 HE2 LYS B 42 -6.417 -2.394 3.994 1.00 0.00 H new ATOM 0 HE3 LYS B 42 -4.946 -1.625 4.558 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 -6.548 -0.091 3.551 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 -5.040 -0.074 2.771 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 -6.355 -0.879 2.059 1.00 0.00 H new ATOM 634 N PRO B 43 -8.733 -5.664 1.379 1.00 0.00 N ATOM 635 CA PRO B 43 -9.921 -6.063 2.125 1.00 0.00 C ATOM 636 C PRO B 43 -10.523 -4.943 2.985 1.00 0.00 C ATOM 637 O PRO B 43 -11.743 -4.871 3.121 1.00 0.00 O ATOM 638 CB PRO B 43 -9.464 -7.235 2.998 1.00 0.00 C ATOM 639 CG PRO B 43 -8.368 -7.879 2.155 1.00 0.00 C ATOM 640 CD PRO B 43 -7.690 -6.665 1.525 1.00 0.00 C ATOM 0 HA PRO B 43 -10.723 -6.328 1.436 1.00 0.00 H new ATOM 0 HB2 PRO B 43 -9.086 -6.897 3.963 1.00 0.00 H new ATOM 0 HB3 PRO B 43 -10.279 -7.930 3.201 1.00 0.00 H new ATOM 0 HG2 PRO B 43 -7.676 -8.462 2.763 1.00 0.00 H new ATOM 0 HG3 PRO B 43 -8.777 -8.553 1.402 1.00 0.00 H new ATOM 0 HD2 PRO B 43 -6.880 -6.298 2.156 1.00 0.00 H new ATOM 0 HD3 PRO B 43 -7.252 -6.918 0.559 1.00 0.00 H new ATOM 648 N ARG B 44 -9.666 -4.092 3.571 1.00 0.00 N ATOM 649 CA ARG B 44 -10.001 -2.967 4.446 1.00 0.00 C ATOM 650 C ARG B 44 -10.395 -3.441 5.847 1.00 0.00 C ATOM 651 O ARG B 44 -9.816 -2.993 6.834 1.00 0.00 O ATOM 652 CB ARG B 44 -11.075 -2.030 3.858 1.00 0.00 C ATOM 653 CG ARG B 44 -10.836 -1.698 2.382 1.00 0.00 C ATOM 654 CD ARG B 44 -11.713 -0.542 1.901 1.00 0.00 C ATOM 655 NE ARG B 44 -11.627 -0.415 0.440 1.00 0.00 N ATOM 656 CZ ARG B 44 -12.353 0.429 -0.310 1.00 0.00 C ATOM 657 NH1 ARG B 44 -13.189 1.308 0.261 1.00 0.00 N ATOM 658 NH2 ARG B 44 -12.238 0.386 -1.644 1.00 0.00 N ATOM 0 H ARG B 44 -8.659 -4.180 3.435 1.00 0.00 H new ATOM 0 HA ARG B 44 -9.089 -2.375 4.526 1.00 0.00 H new ATOM 0 HB2 ARG B 44 -12.054 -2.496 3.966 1.00 0.00 H new ATOM 0 HB3 ARG B 44 -11.097 -1.105 4.434 1.00 0.00 H new ATOM 0 HG2 ARG B 44 -9.787 -1.442 2.234 1.00 0.00 H new ATOM 0 HG3 ARG B 44 -11.037 -2.581 1.776 1.00 0.00 H new ATOM 0 HD2 ARG B 44 -12.748 -0.713 2.198 1.00 0.00 H new ATOM 0 HD3 ARG B 44 -11.394 0.387 2.374 1.00 0.00 H new ATOM 0 HE ARG B 44 -10.961 -1.017 -0.044 1.00 0.00 H new ATOM 0 HH11 ARG B 44 -13.279 1.341 1.277 1.00 0.00 H new ATOM 0 HH12 ARG B 44 -13.735 1.944 -0.320 1.00 0.00 H new ATOM 0 HH21 ARG B 44 -11.604 -0.283 -2.080 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -12.785 1.023 -2.224 1.00 0.00 H new ATOM 672 N GLY B 45 -11.391 -4.330 5.928 1.00 0.00 N ATOM 673 CA GLY B 45 -11.974 -4.803 7.172 1.00 0.00 C ATOM 674 C GLY B 45 -12.925 -3.751 7.745 1.00 0.00 C ATOM 675 O GLY B 45 -12.557 -3.069 8.700 1.00 0.00 O ATOM 0 H GLY B 45 -11.820 -4.747 5.102 1.00 0.00 H new ATOM 0 HA2 GLY B 45 -12.513 -5.734 6.998 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -11.185 -5.021 7.892 1.00 0.00 H new ATOM 679 N PRO B 46 -14.139 -3.607 7.181 1.00 0.00 N ATOM 680 CA PRO B 46 -15.134 -2.638 7.626 1.00 0.00 C ATOM 681 C PRO B 46 -15.451 -2.764 9.119 1.00 0.00 C ATOM 682 O PRO B 46 -15.417 -1.765 9.835 1.00 0.00 O ATOM 683 CB PRO B 46 -16.376 -2.883 6.762 1.00 0.00 C ATOM 684 CG PRO B 46 -15.796 -3.492 5.488 1.00 0.00 C ATOM 685 CD PRO B 46 -14.633 -4.329 6.019 1.00 0.00 C ATOM 0 HA PRO B 46 -14.758 -1.622 7.507 1.00 0.00 H new ATOM 0 HB2 PRO B 46 -17.079 -3.559 7.249 1.00 0.00 H new ATOM 0 HB3 PRO B 46 -16.914 -1.957 6.558 1.00 0.00 H new ATOM 0 HG2 PRO B 46 -16.528 -4.104 4.961 1.00 0.00 H new ATOM 0 HG3 PRO B 46 -15.459 -2.726 4.790 1.00 0.00 H new ATOM 0 HD2 PRO B 46 -14.962 -5.332 6.290 1.00 0.00 H new ATOM 0 HD3 PRO B 46 -13.854 -4.442 5.266 1.00 0.00 H new ATOM 693 N ARG B 47 -15.754 -3.993 9.564 1.00 0.00 N ATOM 694 CA ARG B 47 -16.093 -4.367 10.934 1.00 0.00 C ATOM 695 C ARG B 47 -17.422 -3.761 11.392 1.00 0.00 C ATOM 696 O ARG B 47 -18.415 -4.475 11.531 1.00 0.00 O ATOM 697 CB ARG B 47 -14.970 -4.019 11.926 1.00 0.00 C ATOM 698 CG ARG B 47 -13.705 -4.856 11.711 1.00 0.00 C ATOM 699 CD ARG B 47 -12.559 -4.351 12.597 1.00 0.00 C ATOM 700 NE ARG B 47 -12.928 -4.330 14.023 1.00 0.00 N ATOM 701 CZ ARG B 47 -13.280 -3.252 14.748 1.00 0.00 C ATOM 702 NH1 ARG B 47 -13.376 -2.035 14.192 1.00 0.00 N ATOM 703 NH2 ARG B 47 -13.553 -3.392 16.052 1.00 0.00 N ATOM 0 H ARG B 47 -15.768 -4.796 8.935 1.00 0.00 H new ATOM 0 HA ARG B 47 -16.209 -5.451 10.927 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -14.721 -2.962 11.829 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -15.331 -4.170 12.943 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -13.913 -5.902 11.938 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -13.408 -4.811 10.663 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -11.686 -4.989 12.458 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -12.273 -3.347 12.282 1.00 0.00 H new ATOM 0 HE ARG B 47 -12.915 -5.225 14.512 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -13.180 -1.911 13.199 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -13.645 -1.233 14.763 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -13.493 -4.311 16.490 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -13.820 -2.579 16.607 1.00 0.00 H new ATOM 717 N GLY B 48 -17.408 -2.453 11.667 1.00 0.00 N ATOM 718 CA GLY B 48 -18.468 -1.703 12.318 1.00 0.00 C ATOM 719 C GLY B 48 -17.876 -1.004 13.546 1.00 0.00 C ATOM 720 O GLY B 48 -16.657 -1.011 13.730 1.00 0.00 O ATOM 0 H GLY B 48 -16.611 -1.864 11.425 1.00 0.00 H new ATOM 0 HA2 GLY B 48 -18.892 -0.970 11.631 1.00 0.00 H new ATOM 0 HA3 GLY B 48 -19.278 -2.369 12.614 1.00 0.00 H new ATOM 724 N PRO B 49 -18.716 -0.426 14.418 1.00 0.00 N ATOM 725 CA PRO B 49 -18.292 0.257 15.628 1.00 0.00 C ATOM 726 C PRO B 49 -18.198 -0.788 16.743 1.00 0.00 C ATOM 727 O PRO B 49 -18.742 -0.603 17.831 1.00 0.00 O ATOM 728 CB PRO B 49 -19.413 1.270 15.872 1.00 0.00 C ATOM 729 CG PRO B 49 -20.661 0.485 15.460 1.00 0.00 C ATOM 730 CD PRO B 49 -20.165 -0.420 14.326 1.00 0.00 C ATOM 0 HA PRO B 49 -17.322 0.751 15.573 1.00 0.00 H new ATOM 0 HB2 PRO B 49 -19.457 1.584 16.915 1.00 0.00 H new ATOM 0 HB3 PRO B 49 -19.284 2.171 15.273 1.00 0.00 H new ATOM 0 HG2 PRO B 49 -21.060 -0.097 16.291 1.00 0.00 H new ATOM 0 HG3 PRO B 49 -21.458 1.148 15.123 1.00 0.00 H new ATOM 0 HD2 PRO B 49 -20.566 -1.428 14.429 1.00 0.00 H new ATOM 0 HD3 PRO B 49 -20.492 -0.044 13.357 1.00 0.00 H new ATOM 738 N ARG B 50 -17.538 -1.915 16.452 1.00 0.00 N ATOM 739 CA ARG B 50 -17.574 -3.070 17.325 1.00 0.00 C ATOM 740 C ARG B 50 -16.681 -2.851 18.550 1.00 0.00 C ATOM 741 O ARG B 50 -15.571 -2.341 18.397 1.00 0.00 O ATOM 742 CB ARG B 50 -17.058 -4.314 16.598 1.00 0.00 C ATOM 743 CG ARG B 50 -17.802 -4.695 15.318 1.00 0.00 C ATOM 744 CD ARG B 50 -17.158 -5.987 14.810 1.00 0.00 C ATOM 745 NE ARG B 50 -17.680 -6.392 13.504 1.00 0.00 N ATOM 746 CZ ARG B 50 -17.267 -7.479 12.833 1.00 0.00 C ATOM 747 NH1 ARG B 50 -16.338 -8.297 13.350 1.00 0.00 N ATOM 748 NH2 ARG B 50 -17.789 -7.740 11.627 1.00 0.00 N ATOM 0 H ARG B 50 -16.973 -2.041 15.612 1.00 0.00 H new ATOM 0 HA ARG B 50 -18.611 -3.210 17.630 1.00 0.00 H new ATOM 0 HB2 ARG B 50 -16.008 -4.158 16.352 1.00 0.00 H new ATOM 0 HB3 ARG B 50 -17.102 -5.158 17.286 1.00 0.00 H new ATOM 0 HG2 ARG B 50 -18.864 -4.842 15.516 1.00 0.00 H new ATOM 0 HG3 ARG B 50 -17.723 -3.903 14.573 1.00 0.00 H new ATOM 0 HD2 ARG B 50 -16.079 -5.850 14.741 1.00 0.00 H new ATOM 0 HD3 ARG B 50 -17.332 -6.785 15.532 1.00 0.00 H new ATOM 0 HE ARG B 50 -18.403 -5.812 13.077 1.00 0.00 H new ATOM 0 HH11 ARG B 50 -15.935 -8.097 14.265 1.00 0.00 H new ATOM 0 HH12 ARG B 50 -16.035 -9.119 12.828 1.00 0.00 H new ATOM 0 HH21 ARG B 50 -18.491 -7.116 11.229 1.00 0.00 H new ATOM 0 HH22 ARG B 50 -17.484 -8.562 11.106 1.00 0.00 H new ATOM 762 N PRO B 51 -17.113 -3.280 19.748 1.00 0.00 N ATOM 763 CA PRO B 51 -16.257 -3.324 20.923 1.00 0.00 C ATOM 764 C PRO B 51 -15.216 -4.438 20.751 1.00 0.00 C ATOM 765 O PRO B 51 -14.039 -4.237 21.043 1.00 0.00 O ATOM 766 CB PRO B 51 -17.200 -3.580 22.100 1.00 0.00 C ATOM 767 CG PRO B 51 -18.362 -4.356 21.477 1.00 0.00 C ATOM 768 CD PRO B 51 -18.432 -3.816 20.047 1.00 0.00 C ATOM 0 HA PRO B 51 -15.696 -2.404 21.084 1.00 0.00 H new ATOM 0 HB2 PRO B 51 -16.711 -4.155 22.886 1.00 0.00 H new ATOM 0 HB3 PRO B 51 -17.538 -2.647 22.551 1.00 0.00 H new ATOM 0 HG2 PRO B 51 -18.179 -5.430 21.491 1.00 0.00 H new ATOM 0 HG3 PRO B 51 -19.293 -4.184 22.016 1.00 0.00 H new ATOM 0 HD2 PRO B 51 -18.699 -4.607 19.345 1.00 0.00 H new ATOM 0 HD3 PRO B 51 -19.195 -3.042 19.960 1.00 0.00 H new ATOM 776 N GLN B 52 -15.653 -5.598 20.242 1.00 0.00 N ATOM 777 CA GLN B 52 -14.801 -6.718 19.864 1.00 0.00 C ATOM 778 C GLN B 52 -14.126 -6.452 18.512 1.00 0.00 C ATOM 779 O GLN B 52 -14.294 -5.386 17.922 1.00 0.00 O ATOM 780 CB GLN B 52 -15.647 -8.002 19.823 1.00 0.00 C ATOM 781 CG GLN B 52 -16.817 -7.909 18.831 1.00 0.00 C ATOM 782 CD GLN B 52 -17.302 -9.293 18.414 1.00 0.00 C ATOM 783 OE1 GLN B 52 -18.190 -9.861 19.044 1.00 0.00 O ATOM 784 NE2 GLN B 52 -16.720 -9.835 17.342 1.00 0.00 N ATOM 0 H GLN B 52 -16.643 -5.782 20.079 1.00 0.00 H new ATOM 0 HA GLN B 52 -14.009 -6.840 20.603 1.00 0.00 H new ATOM 0 HB2 GLN B 52 -15.010 -8.843 19.550 1.00 0.00 H new ATOM 0 HB3 GLN B 52 -16.037 -8.208 20.820 1.00 0.00 H new ATOM 0 HG2 GLN B 52 -17.639 -7.355 19.285 1.00 0.00 H new ATOM 0 HG3 GLN B 52 -16.505 -7.350 17.949 1.00 0.00 H new ATOM 0 HE21 GLN B 52 -15.986 -9.327 16.849 1.00 0.00 H new ATOM 0 HE22 GLN B 52 -17.009 -10.757 17.016 1.00 0.00 H new ATOM 793 N THR B 53 -13.385 -7.444 18.003 1.00 0.00 N ATOM 794 CA THR B 53 -12.812 -7.406 16.666 1.00 0.00 C ATOM 795 C THR B 53 -13.906 -7.513 15.597 1.00 0.00 C ATOM 796 O THR B 53 -14.957 -8.131 15.879 1.00 0.00 O ATOM 797 CB THR B 53 -11.748 -8.505 16.511 1.00 0.00 C ATOM 798 OG1 THR B 53 -11.067 -8.329 15.285 1.00 0.00 O ATOM 799 CG2 THR B 53 -12.329 -9.923 16.564 1.00 0.00 C ATOM 800 OXT THR B 53 -13.667 -6.978 14.494 1.00 0.00 O ATOM 0 H THR B 53 -13.169 -8.298 18.517 1.00 0.00 H new ATOM 0 HA THR B 53 -12.319 -6.444 16.523 1.00 0.00 H new ATOM 0 HB THR B 53 -11.067 -8.406 17.357 1.00 0.00 H new ATOM 0 HG1 THR B 53 -10.387 -9.028 15.185 1.00 0.00 H new ATOM 0 HG21 THR B 53 -11.525 -10.650 16.448 1.00 0.00 H new ATOM 0 HG22 THR B 53 -12.823 -10.078 17.523 1.00 0.00 H new ATOM 0 HG23 THR B 53 -13.052 -10.050 15.758 1.00 0.00 H new TER 808 THR B 53 HETATM 809 ZN ZN B 55 -2.848 -0.518 -3.069 1.00 0.00 ZN