USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 573 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 29 SER OG : rot -71:sc= 1.72! USER MOD Set 1.2: A 30 HIS : no HE2:sc= -1.37! C(o=0.36!,f=-12!) USER MOD Single : A 7 LYS NZ :NH3+ -137:sc= -1.45! (180deg=-4.77!) USER MOD Single : A 13 LYS NZ :NH3+ 151:sc= -3.08! (180deg=-6.86!) USER MOD Single : A 14 HIS : no HE2:sc= -0.768 K(o=-0.77,f=-8!) USER MOD Single : A 16 LYS NZ :NH3+ -154:sc= -0.0732 (180deg=-0.788) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 155:sc= 0.229! (180deg=-2.62!) USER MOD Single : A 24 MET CE :methyl -124:sc= 0 (180deg=-0.0272) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00658) USER MOD Single : A 33 GLN : amide:sc= -1.06 K(o=-1.1,f=-10!) USER MOD Single : A 35 THR OG1 : rot -84:sc= 0.664 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -149:sc= -0.102 (180deg=-0.869) USER MOD Single : A 59 ASN : amide:sc= -0.538 X(o=-0.54,f=-1) USER MOD Single : A 62 LYS NZ :NH3+ -140:sc= 1.12 (180deg=-0.434) USER MOD Single : A 64 THR OG1 : rot -150:sc= -0.574 USER MOD Single : A 65 SER OG : rot 40:sc= 0.541 USER MOD Single : A 66 LYS NZ :NH3+ 164:sc= -0.0197 (180deg=-0.35) USER MOD Single : A 70 MET CE :methyl 152:sc= -0.897 (180deg=-1.74) USER MOD Single : A 71 LYS NZ :NH3+ -140:sc= -0.153 (180deg=-3.45!) USER MOD Single : A 73 TYR OH : rot -130:sc= -1.56 USER MOD Single : A 76 LYS NZ :NH3+ 149:sc= 0.225 (180deg=-2.53!) USER MOD Single : A 81 LYS NZ :NH3+ -147:sc= -0.236 (180deg=-1.59!) USER MOD Single : A 82 LYS NZ :NH3+ -110:sc= 0.728 (180deg=-0.567) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 130:sc= 0.155 USER MOD ----------------------------------------------------------------- ATOM 31 N ALA A 3 3.070 7.083 10.476 1.00 0.58 N ATOM 32 CA ALA A 3 2.865 7.141 11.962 1.00 0.52 C ATOM 33 C ALA A 3 4.011 7.790 12.751 1.00 0.65 C ATOM 34 O ALA A 3 3.831 8.797 13.403 1.00 0.66 O ATOM 35 CB ALA A 3 2.618 5.691 12.420 1.00 0.55 C ATOM 0 HA ALA A 3 2.018 7.794 12.171 1.00 0.52 H new ATOM 0 HB1 ALA A 3 2.462 5.672 13.499 1.00 0.55 H new ATOM 0 HB2 ALA A 3 1.735 5.296 11.918 1.00 0.55 H new ATOM 0 HB3 ALA A 3 3.483 5.077 12.168 1.00 0.55 H new ATOM 41 N GLU A 4 5.151 7.169 12.648 1.00 0.79 N ATOM 42 CA GLU A 4 6.370 7.650 13.343 1.00 0.97 C ATOM 43 C GLU A 4 6.676 9.132 13.239 1.00 0.88 C ATOM 44 O GLU A 4 6.847 9.838 14.210 1.00 0.88 O ATOM 45 CB GLU A 4 7.586 6.861 12.814 1.00 1.25 C ATOM 46 CG GLU A 4 7.699 6.920 11.224 1.00 2.91 C ATOM 47 CD GLU A 4 8.888 6.125 10.673 1.00 3.04 C ATOM 48 OE1 GLU A 4 9.977 6.656 10.780 1.00 3.91 O ATOM 49 OE2 GLU A 4 8.657 5.041 10.174 1.00 2.34 O ATOM 0 H GLU A 4 5.289 6.324 12.094 1.00 0.79 H new ATOM 0 HA GLU A 4 6.168 7.480 14.401 1.00 0.97 H new ATOM 0 HB2 GLU A 4 8.498 7.263 13.256 1.00 1.25 H new ATOM 0 HB3 GLU A 4 7.509 5.821 13.132 1.00 1.25 H new ATOM 0 HG2 GLU A 4 6.778 6.534 10.786 1.00 2.91 H new ATOM 0 HG3 GLU A 4 7.789 7.960 10.911 1.00 2.91 H new ATOM 56 N PHE A 5 6.705 9.564 12.033 1.00 0.81 N ATOM 57 CA PHE A 5 7.019 10.990 11.759 1.00 0.67 C ATOM 58 C PHE A 5 5.851 11.894 12.017 1.00 0.67 C ATOM 59 O PHE A 5 6.018 12.898 12.670 1.00 0.66 O ATOM 60 CB PHE A 5 7.443 11.036 10.357 1.00 0.60 C ATOM 61 CG PHE A 5 7.619 12.471 9.870 1.00 0.49 C ATOM 62 CD1 PHE A 5 8.647 13.288 10.291 1.00 0.13 C ATOM 63 CD2 PHE A 5 6.722 12.947 8.958 1.00 0.92 C ATOM 64 CE1 PHE A 5 8.781 14.566 9.799 1.00 0.15 C ATOM 65 CE2 PHE A 5 6.841 14.212 8.462 1.00 0.87 C ATOM 66 CZ PHE A 5 7.869 15.036 8.872 1.00 0.38 C ATOM 0 H PHE A 5 6.524 8.994 11.207 1.00 0.81 H new ATOM 0 HA PHE A 5 7.800 11.353 12.428 1.00 0.67 H new ATOM 0 HB2 PHE A 5 8.382 10.495 10.242 1.00 0.60 H new ATOM 0 HB3 PHE A 5 6.705 10.529 9.736 1.00 0.60 H new ATOM 0 HD1 PHE A 5 9.357 12.920 11.017 1.00 0.13 H new ATOM 0 HD2 PHE A 5 5.911 12.316 8.626 1.00 0.92 H new ATOM 0 HE1 PHE A 5 9.591 15.196 10.134 1.00 0.15 H new ATOM 0 HE2 PHE A 5 6.123 14.573 7.741 1.00 0.87 H new ATOM 0 HZ PHE A 5 7.960 16.036 8.474 1.00 0.38 H new ATOM 76 N ASP A 6 4.713 11.534 11.495 1.00 0.71 N ATOM 77 CA ASP A 6 3.520 12.364 11.713 1.00 0.73 C ATOM 78 C ASP A 6 3.362 12.508 13.221 1.00 0.72 C ATOM 79 O ASP A 6 3.146 13.582 13.737 1.00 0.72 O ATOM 80 CB ASP A 6 2.394 11.624 11.055 1.00 0.78 C ATOM 81 CG ASP A 6 2.565 11.481 9.557 1.00 0.81 C ATOM 82 OD1 ASP A 6 3.546 11.871 8.945 1.00 2.13 O ATOM 83 OD2 ASP A 6 1.603 10.928 9.076 1.00 1.69 O ATOM 0 H ASP A 6 4.567 10.699 10.928 1.00 0.71 H new ATOM 0 HA ASP A 6 3.565 13.369 11.293 1.00 0.73 H new ATOM 0 HB2 ASP A 6 2.311 10.633 11.500 1.00 0.78 H new ATOM 0 HB3 ASP A 6 1.458 12.145 11.259 1.00 0.78 H new ATOM 88 N LYS A 7 3.481 11.420 13.934 1.00 0.68 N ATOM 89 CA LYS A 7 3.339 11.520 15.405 1.00 0.66 C ATOM 90 C LYS A 7 4.452 12.457 15.851 1.00 0.65 C ATOM 91 O LYS A 7 4.136 13.373 16.577 1.00 0.68 O ATOM 92 CB LYS A 7 3.517 10.155 16.093 1.00 0.51 C ATOM 93 CG LYS A 7 2.956 10.296 17.549 1.00 0.63 C ATOM 94 CD LYS A 7 1.396 10.168 17.501 1.00 2.86 C ATOM 95 CE LYS A 7 0.689 10.624 18.791 1.00 3.90 C ATOM 96 NZ LYS A 7 0.741 12.115 18.877 1.00 6.26 N ATOM 0 H LYS A 7 3.667 10.487 13.566 1.00 0.68 H new ATOM 0 HA LYS A 7 2.344 11.877 15.672 1.00 0.66 H new ATOM 0 HB2 LYS A 7 2.983 9.377 15.548 1.00 0.51 H new ATOM 0 HB3 LYS A 7 4.568 9.867 16.111 1.00 0.51 H new ATOM 0 HG2 LYS A 7 3.379 9.525 18.193 1.00 0.63 H new ATOM 0 HG3 LYS A 7 3.243 11.258 17.973 1.00 0.63 H new ATOM 0 HD2 LYS A 7 1.019 10.757 16.665 1.00 2.86 H new ATOM 0 HD3 LYS A 7 1.133 9.129 17.303 1.00 2.86 H new ATOM 0 HE2 LYS A 7 -0.346 10.283 18.793 1.00 3.90 H new ATOM 0 HE3 LYS A 7 1.172 10.180 19.661 1.00 3.90 H new ATOM 0 HZ1 LYS A 7 0.975 12.399 19.850 1.00 6.26 H new ATOM 0 HZ2 LYS A 7 1.468 12.475 18.226 1.00 6.26 H new ATOM 0 HZ3 LYS A 7 -0.184 12.510 18.615 1.00 6.26 H new ATOM 110 N ALA A 8 5.691 12.273 15.447 1.00 0.60 N ATOM 111 CA ALA A 8 6.696 13.268 15.957 1.00 0.53 C ATOM 112 C ALA A 8 6.235 14.733 15.672 1.00 0.58 C ATOM 113 O ALA A 8 6.154 15.600 16.518 1.00 0.58 O ATOM 114 CB ALA A 8 8.019 12.917 15.267 1.00 0.49 C ATOM 0 H ALA A 8 6.034 11.535 14.832 1.00 0.60 H new ATOM 0 HA ALA A 8 6.808 13.216 17.040 1.00 0.53 H new ATOM 0 HB1 ALA A 8 8.796 13.607 15.597 1.00 0.49 H new ATOM 0 HB2 ALA A 8 8.305 11.898 15.526 1.00 0.49 H new ATOM 0 HB3 ALA A 8 7.898 12.996 14.187 1.00 0.49 H new ATOM 120 N ALA A 9 5.925 14.946 14.437 1.00 0.65 N ATOM 121 CA ALA A 9 5.466 16.276 13.926 1.00 0.69 C ATOM 122 C ALA A 9 4.289 16.849 14.719 1.00 0.72 C ATOM 123 O ALA A 9 4.311 17.980 15.177 1.00 0.72 O ATOM 124 CB ALA A 9 5.066 16.122 12.467 1.00 0.67 C ATOM 0 H ALA A 9 5.970 14.224 13.718 1.00 0.65 H new ATOM 0 HA ALA A 9 6.293 16.977 14.040 1.00 0.69 H new ATOM 0 HB1 ALA A 9 4.729 17.083 12.079 1.00 0.67 H new ATOM 0 HB2 ALA A 9 5.924 15.778 11.889 1.00 0.67 H new ATOM 0 HB3 ALA A 9 4.258 15.394 12.386 1.00 0.67 H new ATOM 130 N GLU A 10 3.277 16.054 14.912 1.00 0.70 N ATOM 131 CA GLU A 10 2.120 16.588 15.666 1.00 0.70 C ATOM 132 C GLU A 10 2.534 16.775 17.118 1.00 0.67 C ATOM 133 O GLU A 10 2.220 17.800 17.686 1.00 0.75 O ATOM 134 CB GLU A 10 0.951 15.606 15.538 1.00 0.69 C ATOM 135 CG GLU A 10 -0.318 16.274 16.191 1.00 1.07 C ATOM 136 CD GLU A 10 -0.593 17.655 15.598 1.00 3.13 C ATOM 137 OE1 GLU A 10 -0.645 17.728 14.384 1.00 3.50 O ATOM 138 OE2 GLU A 10 -0.733 18.630 16.318 1.00 4.85 O ATOM 0 H GLU A 10 3.202 15.089 14.591 1.00 0.70 H new ATOM 0 HA GLU A 10 1.801 17.552 15.269 1.00 0.70 H new ATOM 0 HB2 GLU A 10 0.762 15.372 14.490 1.00 0.69 H new ATOM 0 HB3 GLU A 10 1.186 14.666 16.037 1.00 0.69 H new ATOM 0 HG2 GLU A 10 -1.186 15.633 16.040 1.00 1.07 H new ATOM 0 HG3 GLU A 10 -0.171 16.362 17.267 1.00 1.07 H new ATOM 145 N GLU A 11 3.241 15.827 17.685 1.00 0.58 N ATOM 146 CA GLU A 11 3.671 15.942 19.098 1.00 0.58 C ATOM 147 C GLU A 11 4.463 17.246 19.298 1.00 0.50 C ATOM 148 O GLU A 11 4.205 18.003 20.217 1.00 0.49 O ATOM 149 CB GLU A 11 4.522 14.715 19.383 1.00 0.63 C ATOM 150 CG GLU A 11 3.662 13.436 19.297 1.00 1.00 C ATOM 151 CD GLU A 11 2.986 13.106 20.603 1.00 1.52 C ATOM 152 OE1 GLU A 11 1.929 13.676 20.794 1.00 3.74 O ATOM 153 OE2 GLU A 11 3.553 12.305 21.315 1.00 0.93 O ATOM 0 H GLU A 11 3.538 14.971 17.216 1.00 0.58 H new ATOM 0 HA GLU A 11 2.825 15.982 19.784 1.00 0.58 H new ATOM 0 HB2 GLU A 11 5.342 14.659 18.668 1.00 0.63 H new ATOM 0 HB3 GLU A 11 4.968 14.796 20.374 1.00 0.63 H new ATOM 0 HG2 GLU A 11 2.906 13.562 18.522 1.00 1.00 H new ATOM 0 HG3 GLU A 11 4.291 12.599 18.996 1.00 1.00 H new ATOM 160 N VAL A 12 5.415 17.477 18.428 1.00 0.51 N ATOM 161 CA VAL A 12 6.244 18.720 18.541 1.00 0.42 C ATOM 162 C VAL A 12 5.330 19.933 18.465 1.00 0.51 C ATOM 163 O VAL A 12 5.378 20.791 19.326 1.00 0.52 O ATOM 164 CB VAL A 12 7.314 18.711 17.410 1.00 0.40 C ATOM 165 CG1 VAL A 12 6.991 19.524 16.150 1.00 0.57 C ATOM 166 CG2 VAL A 12 8.620 19.262 18.008 1.00 0.34 C ATOM 0 H VAL A 12 5.654 16.864 17.649 1.00 0.51 H new ATOM 0 HA VAL A 12 6.768 18.762 19.496 1.00 0.42 H new ATOM 0 HB VAL A 12 7.371 17.677 17.070 1.00 0.40 H new ATOM 0 HG11 VAL A 12 7.813 19.437 15.440 1.00 0.57 H new ATOM 0 HG12 VAL A 12 6.077 19.143 15.695 1.00 0.57 H new ATOM 0 HG13 VAL A 12 6.853 20.571 16.418 1.00 0.57 H new ATOM 0 HG21 VAL A 12 9.396 19.271 17.242 1.00 0.34 H new ATOM 0 HG22 VAL A 12 8.455 20.277 18.369 1.00 0.34 H new ATOM 0 HG23 VAL A 12 8.936 18.629 18.837 1.00 0.34 H new ATOM 176 N LYS A 13 4.503 19.980 17.445 1.00 0.66 N ATOM 177 CA LYS A 13 3.559 21.148 17.315 1.00 0.88 C ATOM 178 C LYS A 13 2.622 21.249 18.550 1.00 0.95 C ATOM 179 O LYS A 13 1.911 22.224 18.709 1.00 0.88 O ATOM 180 CB LYS A 13 2.686 20.977 16.062 1.00 1.03 C ATOM 181 CG LYS A 13 3.516 21.043 14.768 1.00 2.95 C ATOM 182 CD LYS A 13 2.569 21.057 13.524 1.00 3.63 C ATOM 183 CE LYS A 13 1.674 19.813 13.496 1.00 4.70 C ATOM 184 NZ LYS A 13 0.483 20.014 14.376 1.00 4.59 N ATOM 0 H LYS A 13 4.438 19.277 16.709 1.00 0.66 H new ATOM 0 HA LYS A 13 4.160 22.054 17.242 1.00 0.88 H new ATOM 0 HB2 LYS A 13 2.166 20.021 16.111 1.00 1.03 H new ATOM 0 HB3 LYS A 13 1.923 21.755 16.043 1.00 1.03 H new ATOM 0 HG2 LYS A 13 4.139 21.938 14.771 1.00 2.95 H new ATOM 0 HG3 LYS A 13 4.188 20.187 14.714 1.00 2.95 H new ATOM 0 HD2 LYS A 13 1.950 21.954 13.545 1.00 3.63 H new ATOM 0 HD3 LYS A 13 3.163 21.101 12.611 1.00 3.63 H new ATOM 0 HE2 LYS A 13 1.351 19.612 12.475 1.00 4.70 H new ATOM 0 HE3 LYS A 13 2.239 18.942 13.829 1.00 4.70 H new ATOM 0 HZ1 LYS A 13 -0.316 19.458 14.011 1.00 4.59 H new ATOM 0 HZ2 LYS A 13 0.709 19.702 15.342 1.00 4.59 H new ATOM 0 HZ3 LYS A 13 0.227 21.022 14.389 1.00 4.59 H new ATOM 198 N HIS A 14 2.677 20.226 19.365 1.00 1.13 N ATOM 199 CA HIS A 14 1.856 20.121 20.609 1.00 1.25 C ATOM 200 C HIS A 14 2.761 20.117 21.869 1.00 1.04 C ATOM 201 O HIS A 14 2.299 19.808 22.950 1.00 1.00 O ATOM 202 CB HIS A 14 0.983 18.805 20.439 1.00 1.54 C ATOM 203 CG HIS A 14 1.152 17.751 21.551 1.00 2.57 C ATOM 204 ND1 HIS A 14 2.283 17.290 21.967 1.00 3.93 N ATOM 205 CD2 HIS A 14 0.222 17.084 22.324 1.00 4.03 C ATOM 206 CE1 HIS A 14 2.097 16.421 22.912 1.00 6.02 C ATOM 207 NE2 HIS A 14 0.821 16.261 23.165 1.00 6.02 N ATOM 0 H HIS A 14 3.287 19.423 19.210 1.00 1.13 H new ATOM 0 HA HIS A 14 1.199 20.979 20.753 1.00 1.25 H new ATOM 0 HB2 HIS A 14 -0.068 19.090 20.389 1.00 1.54 H new ATOM 0 HB3 HIS A 14 1.234 18.344 19.484 1.00 1.54 H new ATOM 0 HD1 HIS A 14 3.194 17.569 21.604 1.00 3.93 H new ATOM 0 HD2 HIS A 14 -0.847 17.217 22.251 1.00 4.03 H new ATOM 0 HE1 HIS A 14 2.891 15.897 23.424 1.00 6.02 H new ATOM 215 N LEU A 15 4.027 20.463 21.762 1.00 1.00 N ATOM 216 CA LEU A 15 4.847 20.443 23.013 1.00 1.06 C ATOM 217 C LEU A 15 4.191 21.455 23.945 1.00 1.60 C ATOM 218 O LEU A 15 3.728 22.491 23.503 1.00 1.87 O ATOM 219 CB LEU A 15 6.307 20.857 22.699 1.00 1.32 C ATOM 220 CG LEU A 15 6.978 19.720 21.919 1.00 1.20 C ATOM 221 CD1 LEU A 15 8.299 20.207 21.343 1.00 1.67 C ATOM 222 CD2 LEU A 15 7.269 18.509 22.807 1.00 1.47 C ATOM 0 H LEU A 15 4.506 20.745 20.907 1.00 1.00 H new ATOM 0 HA LEU A 15 4.885 19.451 23.462 1.00 1.06 H new ATOM 0 HB2 LEU A 15 6.323 21.777 22.115 1.00 1.32 H new ATOM 0 HB3 LEU A 15 6.851 21.056 23.622 1.00 1.32 H new ATOM 0 HG LEU A 15 6.288 19.420 21.130 1.00 1.20 H new ATOM 0 HD11 LEU A 15 8.775 19.398 20.789 1.00 1.67 H new ATOM 0 HD12 LEU A 15 8.116 21.047 20.673 1.00 1.67 H new ATOM 0 HD13 LEU A 15 8.954 20.526 22.154 1.00 1.67 H new ATOM 0 HD21 LEU A 15 7.744 17.728 22.213 1.00 1.47 H new ATOM 0 HD22 LEU A 15 7.935 18.804 23.618 1.00 1.47 H new ATOM 0 HD23 LEU A 15 6.336 18.131 23.224 1.00 1.47 H new ATOM 234 N LYS A 16 4.157 21.167 25.218 1.00 1.89 N ATOM 235 CA LYS A 16 3.507 22.153 26.128 1.00 2.63 C ATOM 236 C LYS A 16 4.425 23.369 26.286 1.00 1.98 C ATOM 237 O LYS A 16 4.011 24.415 26.747 1.00 1.99 O ATOM 238 CB LYS A 16 3.232 21.413 27.440 1.00 3.54 C ATOM 239 CG LYS A 16 2.630 22.355 28.489 1.00 4.17 C ATOM 240 CD LYS A 16 2.236 21.493 29.719 1.00 2.93 C ATOM 241 CE LYS A 16 1.820 22.380 30.886 1.00 2.96 C ATOM 242 NZ LYS A 16 3.037 23.142 31.304 1.00 1.70 N ATOM 0 H LYS A 16 4.535 20.326 25.655 1.00 1.89 H new ATOM 0 HA LYS A 16 2.564 22.540 25.743 1.00 2.63 H new ATOM 0 HB2 LYS A 16 2.549 20.583 27.257 1.00 3.54 H new ATOM 0 HB3 LYS A 16 4.159 20.985 27.821 1.00 3.54 H new ATOM 0 HG2 LYS A 16 3.350 23.122 28.773 1.00 4.17 H new ATOM 0 HG3 LYS A 16 1.758 22.870 28.086 1.00 4.17 H new ATOM 0 HD2 LYS A 16 1.417 20.824 29.454 1.00 2.93 H new ATOM 0 HD3 LYS A 16 3.077 20.865 30.014 1.00 2.93 H new ATOM 0 HE2 LYS A 16 1.021 23.060 30.589 1.00 2.96 H new ATOM 0 HE3 LYS A 16 1.438 21.779 31.711 1.00 2.96 H new ATOM 0 HZ1 LYS A 16 2.954 23.405 32.307 1.00 1.70 H new ATOM 0 HZ2 LYS A 16 3.881 22.549 31.170 1.00 1.70 H new ATOM 0 HZ3 LYS A 16 3.123 24.002 30.726 1.00 1.70 H new ATOM 256 N THR A 17 5.655 23.203 25.888 1.00 1.53 N ATOM 257 CA THR A 17 6.641 24.339 25.983 1.00 1.01 C ATOM 258 C THR A 17 6.952 24.824 24.547 1.00 0.85 C ATOM 259 O THR A 17 6.638 24.152 23.585 1.00 1.18 O ATOM 260 CB THR A 17 7.921 23.852 26.652 1.00 1.24 C ATOM 261 OG1 THR A 17 7.482 23.241 27.857 1.00 1.94 O ATOM 262 CG2 THR A 17 8.779 25.015 27.170 1.00 1.42 C ATOM 0 H THR A 17 6.029 22.336 25.501 1.00 1.53 H new ATOM 0 HA THR A 17 6.226 25.154 26.576 1.00 1.01 H new ATOM 0 HB THR A 17 8.480 23.239 25.945 1.00 1.24 H new ATOM 0 HG1 THR A 17 8.256 22.897 28.350 1.00 1.94 H new ATOM 0 HG21 THR A 17 9.681 24.621 27.639 1.00 1.42 H new ATOM 0 HG22 THR A 17 9.056 25.662 26.338 1.00 1.42 H new ATOM 0 HG23 THR A 17 8.210 25.589 27.902 1.00 1.42 H new ATOM 270 N LYS A 18 7.573 25.972 24.462 1.00 0.62 N ATOM 271 CA LYS A 18 7.945 26.601 23.138 1.00 0.97 C ATOM 272 C LYS A 18 9.394 26.291 22.663 1.00 0.82 C ATOM 273 O LYS A 18 10.286 27.102 22.865 1.00 0.90 O ATOM 274 CB LYS A 18 7.762 28.151 23.263 1.00 1.29 C ATOM 275 CG LYS A 18 7.964 28.839 21.865 1.00 2.91 C ATOM 276 CD LYS A 18 8.772 30.176 21.989 1.00 3.82 C ATOM 277 CE LYS A 18 10.252 29.927 22.328 1.00 4.10 C ATOM 278 NZ LYS A 18 10.856 29.104 21.236 1.00 5.80 N ATOM 0 H LYS A 18 7.850 26.523 25.275 1.00 0.62 H new ATOM 0 HA LYS A 18 7.287 26.167 22.385 1.00 0.97 H new ATOM 0 HB2 LYS A 18 6.767 28.377 23.646 1.00 1.29 H new ATOM 0 HB3 LYS A 18 8.478 28.552 23.980 1.00 1.29 H new ATOM 0 HG2 LYS A 18 8.489 28.157 21.196 1.00 2.91 H new ATOM 0 HG3 LYS A 18 6.992 29.041 21.415 1.00 2.91 H new ATOM 0 HD2 LYS A 18 8.703 30.729 21.052 1.00 3.82 H new ATOM 0 HD3 LYS A 18 8.323 30.800 22.762 1.00 3.82 H new ATOM 0 HE2 LYS A 18 10.783 30.874 22.427 1.00 4.10 H new ATOM 0 HE3 LYS A 18 10.340 29.411 23.284 1.00 4.10 H new ATOM 0 HZ1 LYS A 18 11.882 29.270 21.203 1.00 5.80 H new ATOM 0 HZ2 LYS A 18 10.674 28.097 21.420 1.00 5.80 H new ATOM 0 HZ3 LYS A 18 10.432 29.372 20.325 1.00 5.80 H new ATOM 292 N PRO A 19 9.628 25.151 22.039 1.00 0.79 N ATOM 293 CA PRO A 19 10.994 24.782 21.553 1.00 0.65 C ATOM 294 C PRO A 19 11.791 25.982 21.002 1.00 0.39 C ATOM 295 O PRO A 19 11.255 26.841 20.323 1.00 0.20 O ATOM 296 CB PRO A 19 10.724 23.651 20.504 1.00 0.76 C ATOM 297 CG PRO A 19 9.180 23.719 20.284 1.00 0.94 C ATOM 298 CD PRO A 19 8.644 24.092 21.672 1.00 1.03 C ATOM 0 HA PRO A 19 11.645 24.436 22.356 1.00 0.65 H new ATOM 0 HB2 PRO A 19 11.270 23.825 19.577 1.00 0.76 H new ATOM 0 HB3 PRO A 19 11.034 22.675 20.877 1.00 0.76 H new ATOM 0 HG2 PRO A 19 8.912 24.465 19.535 1.00 0.94 H new ATOM 0 HG3 PRO A 19 8.780 22.765 19.941 1.00 0.94 H new ATOM 0 HD2 PRO A 19 7.620 24.465 21.640 1.00 1.03 H new ATOM 0 HD3 PRO A 19 8.655 23.251 22.365 1.00 1.03 H new ATOM 306 N ALA A 20 13.053 26.019 21.314 1.00 0.39 N ATOM 307 CA ALA A 20 13.930 27.130 20.835 1.00 0.19 C ATOM 308 C ALA A 20 14.266 27.087 19.319 1.00 0.31 C ATOM 309 O ALA A 20 14.014 26.135 18.607 1.00 0.34 O ATOM 310 CB ALA A 20 15.219 27.077 21.673 1.00 0.44 C ATOM 0 H ALA A 20 13.524 25.320 21.888 1.00 0.39 H new ATOM 0 HA ALA A 20 13.387 28.066 20.964 1.00 0.19 H new ATOM 0 HB1 ALA A 20 15.892 27.874 21.356 1.00 0.44 H new ATOM 0 HB2 ALA A 20 14.973 27.207 22.727 1.00 0.44 H new ATOM 0 HB3 ALA A 20 15.706 26.113 21.530 1.00 0.44 H new ATOM 316 N ASP A 21 14.836 28.186 18.926 1.00 0.56 N ATOM 317 CA ASP A 21 15.296 28.485 17.535 1.00 0.84 C ATOM 318 C ASP A 21 15.779 27.257 16.749 1.00 0.81 C ATOM 319 O ASP A 21 15.082 26.789 15.870 1.00 0.72 O ATOM 320 CB ASP A 21 16.377 29.559 17.733 1.00 1.08 C ATOM 321 CG ASP A 21 17.079 29.334 19.073 1.00 3.39 C ATOM 322 OD1 ASP A 21 17.974 28.518 19.110 1.00 4.45 O ATOM 323 OD2 ASP A 21 16.630 29.996 19.997 1.00 4.95 O ATOM 0 H ASP A 21 15.017 28.956 19.569 1.00 0.56 H new ATOM 0 HA ASP A 21 14.477 28.831 16.904 1.00 0.84 H new ATOM 0 HB2 ASP A 21 17.101 29.516 16.919 1.00 1.08 H new ATOM 0 HB3 ASP A 21 15.928 30.552 17.708 1.00 1.08 H new ATOM 328 N GLU A 22 16.951 26.786 17.074 1.00 0.87 N ATOM 329 CA GLU A 22 17.501 25.596 16.384 1.00 0.86 C ATOM 330 C GLU A 22 16.521 24.452 16.341 1.00 0.69 C ATOM 331 O GLU A 22 16.407 23.855 15.300 1.00 0.47 O ATOM 332 CB GLU A 22 18.814 25.264 17.107 1.00 0.83 C ATOM 333 CG GLU A 22 19.978 26.032 16.378 1.00 1.29 C ATOM 334 CD GLU A 22 19.723 27.521 16.095 1.00 1.97 C ATOM 335 OE1 GLU A 22 18.870 27.798 15.267 1.00 4.17 O ATOM 336 OE2 GLU A 22 20.412 28.302 16.721 1.00 2.35 O ATOM 0 H GLU A 22 17.553 27.182 17.796 1.00 0.87 H new ATOM 0 HA GLU A 22 17.694 25.796 15.330 1.00 0.86 H new ATOM 0 HB2 GLU A 22 18.758 25.562 18.154 1.00 0.83 H new ATOM 0 HB3 GLU A 22 18.997 24.190 17.090 1.00 0.83 H new ATOM 0 HG2 GLU A 22 20.880 25.946 16.984 1.00 1.29 H new ATOM 0 HG3 GLU A 22 20.181 25.531 15.431 1.00 1.29 H new ATOM 343 N GLU A 23 15.818 24.124 17.385 1.00 0.83 N ATOM 344 CA GLU A 23 14.861 22.984 17.246 1.00 0.64 C ATOM 345 C GLU A 23 13.761 23.450 16.269 1.00 0.52 C ATOM 346 O GLU A 23 13.400 22.695 15.387 1.00 0.41 O ATOM 347 CB GLU A 23 14.401 22.640 18.713 1.00 0.65 C ATOM 348 CG GLU A 23 15.435 21.625 19.481 1.00 1.55 C ATOM 349 CD GLU A 23 16.851 21.416 18.854 1.00 2.42 C ATOM 350 OE1 GLU A 23 16.900 21.062 17.693 1.00 4.71 O ATOM 351 OE2 GLU A 23 17.869 21.575 19.507 1.00 2.06 O ATOM 0 H GLU A 23 15.856 24.574 18.300 1.00 0.83 H new ATOM 0 HA GLU A 23 15.258 22.063 16.820 1.00 0.64 H new ATOM 0 HB2 GLU A 23 14.311 23.563 19.287 1.00 0.65 H new ATOM 0 HB3 GLU A 23 13.410 22.187 18.681 1.00 0.65 H new ATOM 0 HG2 GLU A 23 15.570 21.991 20.499 1.00 1.55 H new ATOM 0 HG3 GLU A 23 14.954 20.650 19.555 1.00 1.55 H new ATOM 358 N MET A 24 13.252 24.643 16.400 1.00 0.57 N ATOM 359 CA MET A 24 12.192 25.115 15.446 1.00 0.59 C ATOM 360 C MET A 24 12.723 24.971 13.998 1.00 0.60 C ATOM 361 O MET A 24 12.039 24.405 13.169 1.00 0.56 O ATOM 362 CB MET A 24 11.855 26.590 15.769 1.00 0.67 C ATOM 363 CG MET A 24 11.143 26.660 17.132 1.00 0.58 C ATOM 364 SD MET A 24 10.670 28.305 17.720 1.00 0.96 S ATOM 365 CE MET A 24 9.275 28.576 16.597 1.00 0.95 C ATOM 0 H MET A 24 13.518 25.314 17.121 1.00 0.57 H new ATOM 0 HA MET A 24 11.285 24.519 15.545 1.00 0.59 H new ATOM 0 HB2 MET A 24 12.766 27.187 15.790 1.00 0.67 H new ATOM 0 HB3 MET A 24 11.217 27.009 14.990 1.00 0.67 H new ATOM 0 HG2 MET A 24 10.244 26.047 17.078 1.00 0.58 H new ATOM 0 HG3 MET A 24 11.794 26.206 17.879 1.00 0.58 H new ATOM 0 HE1 MET A 24 9.430 29.500 16.040 1.00 0.95 H new ATOM 0 HE2 MET A 24 9.201 27.741 15.900 1.00 0.95 H new ATOM 0 HE3 MET A 24 8.353 28.650 17.174 1.00 0.95 H new ATOM 375 N LEU A 25 13.907 25.472 13.746 1.00 0.61 N ATOM 376 CA LEU A 25 14.563 25.414 12.409 1.00 0.58 C ATOM 377 C LEU A 25 14.834 23.947 11.992 1.00 0.49 C ATOM 378 O LEU A 25 14.525 23.523 10.893 1.00 0.43 O ATOM 379 CB LEU A 25 15.817 26.286 12.593 1.00 0.64 C ATOM 380 CG LEU A 25 15.429 27.792 12.532 1.00 0.72 C ATOM 381 CD1 LEU A 25 16.608 28.596 13.062 1.00 0.83 C ATOM 382 CD2 LEU A 25 15.232 28.202 11.067 1.00 0.86 C ATOM 0 H LEU A 25 14.471 25.943 14.454 1.00 0.61 H new ATOM 0 HA LEU A 25 13.957 25.790 11.585 1.00 0.58 H new ATOM 0 HB2 LEU A 25 16.289 26.062 13.549 1.00 0.64 H new ATOM 0 HB3 LEU A 25 16.546 26.058 11.816 1.00 0.64 H new ATOM 0 HG LEU A 25 14.520 27.967 13.108 1.00 0.72 H new ATOM 0 HD11 LEU A 25 16.367 29.659 13.032 1.00 0.83 H new ATOM 0 HD12 LEU A 25 16.817 28.300 14.090 1.00 0.83 H new ATOM 0 HD13 LEU A 25 17.485 28.406 12.444 1.00 0.83 H new ATOM 0 HD21 LEU A 25 14.960 29.256 11.018 1.00 0.86 H new ATOM 0 HD22 LEU A 25 16.159 28.040 10.516 1.00 0.86 H new ATOM 0 HD23 LEU A 25 14.437 27.601 10.625 1.00 0.86 H new ATOM 394 N PHE A 26 15.401 23.196 12.893 1.00 0.49 N ATOM 395 CA PHE A 26 15.722 21.752 12.648 1.00 0.43 C ATOM 396 C PHE A 26 14.403 21.143 12.170 1.00 0.37 C ATOM 397 O PHE A 26 14.312 20.668 11.056 1.00 0.33 O ATOM 398 CB PHE A 26 16.190 21.130 13.980 1.00 0.31 C ATOM 399 CG PHE A 26 16.583 19.645 13.840 1.00 0.42 C ATOM 400 CD1 PHE A 26 15.680 18.677 13.425 1.00 0.17 C ATOM 401 CD2 PHE A 26 17.873 19.259 14.143 1.00 0.98 C ATOM 402 CE1 PHE A 26 16.066 17.359 13.322 1.00 0.46 C ATOM 403 CE2 PHE A 26 18.259 17.940 14.041 1.00 1.28 C ATOM 404 CZ PHE A 26 17.357 16.987 13.630 1.00 1.03 C ATOM 0 H PHE A 26 15.665 23.529 13.820 1.00 0.49 H new ATOM 0 HA PHE A 26 16.513 21.587 11.917 1.00 0.43 H new ATOM 0 HB2 PHE A 26 17.043 21.693 14.359 1.00 0.31 H new ATOM 0 HB3 PHE A 26 15.394 21.222 14.719 1.00 0.31 H new ATOM 0 HD1 PHE A 26 14.667 18.959 13.181 1.00 0.17 H new ATOM 0 HD2 PHE A 26 18.589 20.001 14.464 1.00 0.98 H new ATOM 0 HE1 PHE A 26 15.354 16.614 12.999 1.00 0.46 H new ATOM 0 HE2 PHE A 26 19.272 17.654 14.284 1.00 1.28 H new ATOM 0 HZ PHE A 26 17.658 15.953 13.549 1.00 1.03 H new ATOM 414 N ILE A 27 13.418 21.204 13.039 1.00 0.45 N ATOM 415 CA ILE A 27 12.061 20.659 12.727 1.00 0.40 C ATOM 416 C ILE A 27 11.666 21.286 11.393 1.00 0.35 C ATOM 417 O ILE A 27 11.754 20.634 10.384 1.00 0.21 O ATOM 418 CB ILE A 27 11.129 21.074 13.893 1.00 0.46 C ATOM 419 CG1 ILE A 27 11.194 20.058 15.083 1.00 0.51 C ATOM 420 CG2 ILE A 27 9.645 21.130 13.466 1.00 0.49 C ATOM 421 CD1 ILE A 27 12.609 19.728 15.609 1.00 0.49 C ATOM 0 H ILE A 27 13.503 21.617 13.968 1.00 0.45 H new ATOM 0 HA ILE A 27 12.012 19.574 12.636 1.00 0.40 H new ATOM 0 HB ILE A 27 11.484 22.060 14.194 1.00 0.46 H new ATOM 0 HG12 ILE A 27 10.604 20.456 15.908 1.00 0.51 H new ATOM 0 HG13 ILE A 27 10.718 19.129 14.769 1.00 0.51 H new ATOM 0 HG21 ILE A 27 9.032 21.425 14.318 1.00 0.49 H new ATOM 0 HG22 ILE A 27 9.525 21.857 12.663 1.00 0.49 H new ATOM 0 HG23 ILE A 27 9.330 20.147 13.116 1.00 0.49 H new ATOM 0 HD11 ILE A 27 12.535 19.016 16.431 1.00 0.49 H new ATOM 0 HD12 ILE A 27 13.204 19.294 14.805 1.00 0.49 H new ATOM 0 HD13 ILE A 27 13.088 20.641 15.962 1.00 0.49 H new ATOM 433 N TYR A 28 11.227 22.512 11.444 1.00 0.46 N ATOM 434 CA TYR A 28 10.817 23.274 10.226 1.00 0.45 C ATOM 435 C TYR A 28 11.463 22.738 8.929 1.00 0.25 C ATOM 436 O TYR A 28 10.796 22.275 8.026 1.00 0.25 O ATOM 437 CB TYR A 28 11.205 24.722 10.441 1.00 0.70 C ATOM 438 CG TYR A 28 10.584 25.585 9.356 1.00 0.94 C ATOM 439 CD1 TYR A 28 9.298 26.060 9.519 1.00 2.55 C ATOM 440 CD2 TYR A 28 11.286 25.895 8.211 1.00 2.68 C ATOM 441 CE1 TYR A 28 8.722 26.843 8.542 1.00 2.79 C ATOM 442 CE2 TYR A 28 10.706 26.671 7.245 1.00 2.74 C ATOM 443 CZ TYR A 28 9.429 27.148 7.406 1.00 1.60 C ATOM 444 OH TYR A 28 8.857 27.941 6.443 1.00 1.99 O ATOM 0 H TYR A 28 11.131 23.038 12.312 1.00 0.46 H new ATOM 0 HA TYR A 28 9.741 23.162 10.093 1.00 0.45 H new ATOM 0 HB2 TYR A 28 10.869 25.057 11.422 1.00 0.70 H new ATOM 0 HB3 TYR A 28 12.290 24.824 10.424 1.00 0.70 H new ATOM 0 HD1 TYR A 28 8.743 25.818 10.413 1.00 2.55 H new ATOM 0 HD2 TYR A 28 12.292 25.526 8.077 1.00 2.68 H new ATOM 0 HE1 TYR A 28 7.716 27.216 8.670 1.00 2.79 H new ATOM 0 HE2 TYR A 28 11.258 26.910 6.348 1.00 2.74 H new ATOM 0 HH TYR A 28 9.488 28.063 5.703 1.00 1.99 H new ATOM 454 N SER A 29 12.765 22.784 8.871 1.00 0.19 N ATOM 455 CA SER A 29 13.529 22.313 7.679 1.00 0.11 C ATOM 456 C SER A 29 13.263 20.838 7.348 1.00 0.11 C ATOM 457 O SER A 29 12.879 20.486 6.249 1.00 0.13 O ATOM 458 CB SER A 29 15.008 22.560 8.004 1.00 0.24 C ATOM 459 OG SER A 29 15.296 21.610 9.023 1.00 0.48 O ATOM 0 H SER A 29 13.351 23.141 9.626 1.00 0.19 H new ATOM 0 HA SER A 29 13.216 22.856 6.787 1.00 0.11 H new ATOM 0 HB2 SER A 29 15.640 22.411 7.128 1.00 0.24 H new ATOM 0 HB3 SER A 29 15.177 23.580 8.349 1.00 0.24 H new ATOM 0 HG SER A 29 14.851 21.877 9.854 1.00 0.48 H new ATOM 465 N HIS A 30 13.483 20.023 8.341 1.00 0.10 N ATOM 466 CA HIS A 30 13.292 18.553 8.240 1.00 0.10 C ATOM 467 C HIS A 30 11.837 18.180 7.916 1.00 0.15 C ATOM 468 O HIS A 30 11.609 17.253 7.174 1.00 0.09 O ATOM 469 CB HIS A 30 13.731 17.937 9.579 1.00 0.13 C ATOM 470 CG HIS A 30 15.243 17.985 9.767 1.00 0.18 C ATOM 471 ND1 HIS A 30 15.978 19.046 9.807 1.00 0.20 N ATOM 472 CD2 HIS A 30 16.131 16.943 9.944 1.00 0.45 C ATOM 473 CE1 HIS A 30 17.219 18.707 9.992 1.00 0.37 C ATOM 474 NE2 HIS A 30 17.356 17.408 10.081 1.00 0.54 N ATOM 0 H HIS A 30 13.802 20.334 9.259 1.00 0.10 H new ATOM 0 HA HIS A 30 13.893 18.163 7.419 1.00 0.10 H new ATOM 0 HB2 HIS A 30 13.248 18.470 10.398 1.00 0.13 H new ATOM 0 HB3 HIS A 30 13.393 16.902 9.629 1.00 0.13 H new ATOM 0 HD1 HIS A 30 15.637 20.002 9.709 1.00 0.20 H new ATOM 0 HD2 HIS A 30 15.861 15.898 9.967 1.00 0.45 H new ATOM 0 HE1 HIS A 30 18.036 19.410 10.063 1.00 0.37 H new ATOM 482 N TYR A 31 10.896 18.906 8.461 1.00 0.25 N ATOM 483 CA TYR A 31 9.440 18.634 8.216 1.00 0.32 C ATOM 484 C TYR A 31 9.095 19.113 6.806 1.00 0.48 C ATOM 485 O TYR A 31 8.463 18.389 6.054 1.00 0.53 O ATOM 486 CB TYR A 31 8.562 19.400 9.241 1.00 0.10 C ATOM 487 CG TYR A 31 7.083 19.055 8.982 1.00 0.22 C ATOM 488 CD1 TYR A 31 6.329 19.796 8.095 1.00 2.56 C ATOM 489 CD2 TYR A 31 6.494 17.975 9.616 1.00 2.20 C ATOM 490 CE1 TYR A 31 5.014 19.457 7.846 1.00 2.62 C ATOM 491 CE2 TYR A 31 5.174 17.638 9.360 1.00 2.15 C ATOM 492 CZ TYR A 31 4.429 18.381 8.470 1.00 0.44 C ATOM 493 OH TYR A 31 3.119 18.069 8.163 1.00 0.56 O ATOM 0 H TYR A 31 11.076 19.696 9.081 1.00 0.25 H new ATOM 0 HA TYR A 31 9.247 17.566 8.323 1.00 0.32 H new ATOM 0 HB2 TYR A 31 8.841 19.125 10.258 1.00 0.10 H new ATOM 0 HB3 TYR A 31 8.721 20.474 9.146 1.00 0.10 H new ATOM 0 HD1 TYR A 31 6.770 20.645 7.593 1.00 2.56 H new ATOM 0 HD2 TYR A 31 7.069 17.389 10.318 1.00 2.20 H new ATOM 0 HE1 TYR A 31 4.436 20.047 7.150 1.00 2.62 H new ATOM 0 HE2 TYR A 31 4.728 16.791 9.860 1.00 2.15 H new ATOM 0 HH TYR A 31 2.840 17.284 8.680 1.00 0.56 H new ATOM 503 N LYS A 32 9.500 20.315 6.461 1.00 0.61 N ATOM 504 CA LYS A 32 9.182 20.802 5.088 1.00 0.83 C ATOM 505 C LYS A 32 9.836 19.806 4.126 1.00 0.92 C ATOM 506 O LYS A 32 9.199 19.352 3.194 1.00 1.07 O ATOM 507 CB LYS A 32 9.749 22.219 4.895 1.00 0.85 C ATOM 508 CG LYS A 32 9.023 23.358 5.685 1.00 0.88 C ATOM 509 CD LYS A 32 7.483 23.359 5.422 1.00 1.27 C ATOM 510 CE LYS A 32 7.134 23.410 3.908 1.00 1.06 C ATOM 511 NZ LYS A 32 5.646 23.265 3.766 1.00 0.71 N ATOM 0 H LYS A 32 10.022 20.960 7.055 1.00 0.61 H new ATOM 0 HA LYS A 32 8.108 20.861 4.910 1.00 0.83 H new ATOM 0 HB2 LYS A 32 10.799 22.212 5.188 1.00 0.85 H new ATOM 0 HB3 LYS A 32 9.716 22.461 3.833 1.00 0.85 H new ATOM 0 HG2 LYS A 32 9.209 23.235 6.752 1.00 0.88 H new ATOM 0 HG3 LYS A 32 9.441 24.323 5.397 1.00 0.88 H new ATOM 0 HD2 LYS A 32 7.043 22.464 5.862 1.00 1.27 H new ATOM 0 HD3 LYS A 32 7.033 24.216 5.924 1.00 1.27 H new ATOM 0 HE2 LYS A 32 7.468 24.352 3.472 1.00 1.06 H new ATOM 0 HE3 LYS A 32 7.647 22.611 3.372 1.00 1.06 H new ATOM 0 HZ1 LYS A 32 5.387 23.313 2.760 1.00 0.71 H new ATOM 0 HZ2 LYS A 32 5.348 22.349 4.157 1.00 0.71 H new ATOM 0 HZ3 LYS A 32 5.172 24.033 4.283 1.00 0.71 H new ATOM 525 N GLN A 33 11.079 19.496 4.387 1.00 0.87 N ATOM 526 CA GLN A 33 11.806 18.526 3.514 1.00 0.89 C ATOM 527 C GLN A 33 11.149 17.142 3.456 1.00 0.87 C ATOM 528 O GLN A 33 11.015 16.535 2.415 1.00 1.04 O ATOM 529 CB GLN A 33 13.235 18.420 4.040 1.00 0.96 C ATOM 530 CG GLN A 33 14.102 17.708 2.992 1.00 0.70 C ATOM 531 CD GLN A 33 13.912 18.323 1.602 1.00 1.86 C ATOM 532 OE1 GLN A 33 13.696 19.504 1.445 1.00 4.19 O ATOM 533 NE2 GLN A 33 13.994 17.574 0.556 1.00 1.00 N ATOM 0 H GLN A 33 11.622 19.871 5.165 1.00 0.87 H new ATOM 0 HA GLN A 33 11.782 18.897 2.489 1.00 0.89 H new ATOM 0 HB2 GLN A 33 13.634 19.413 4.247 1.00 0.96 H new ATOM 0 HB3 GLN A 33 13.250 17.868 4.980 1.00 0.96 H new ATOM 0 HG2 GLN A 33 15.151 17.773 3.280 1.00 0.70 H new ATOM 0 HG3 GLN A 33 13.844 16.649 2.962 1.00 0.70 H new ATOM 0 HE21 GLN A 33 14.175 16.575 0.657 1.00 1.00 H new ATOM 0 HE22 GLN A 33 13.878 17.980 -0.372 1.00 1.00 H new ATOM 542 N ALA A 34 10.769 16.668 4.603 1.00 0.70 N ATOM 543 CA ALA A 34 10.107 15.341 4.725 1.00 0.75 C ATOM 544 C ALA A 34 8.701 15.192 4.115 1.00 0.68 C ATOM 545 O ALA A 34 8.390 14.164 3.545 1.00 0.67 O ATOM 546 CB ALA A 34 10.070 15.019 6.213 1.00 0.59 C ATOM 0 H ALA A 34 10.892 17.158 5.489 1.00 0.70 H new ATOM 0 HA ALA A 34 10.695 14.644 4.129 1.00 0.75 H new ATOM 0 HB1 ALA A 34 9.592 14.051 6.364 1.00 0.59 H new ATOM 0 HB2 ALA A 34 11.087 14.987 6.604 1.00 0.59 H new ATOM 0 HB3 ALA A 34 9.504 15.789 6.738 1.00 0.59 H new ATOM 552 N THR A 35 7.898 16.207 4.247 1.00 0.64 N ATOM 553 CA THR A 35 6.497 16.149 3.696 1.00 0.56 C ATOM 554 C THR A 35 6.330 16.603 2.271 1.00 0.47 C ATOM 555 O THR A 35 5.871 15.866 1.428 1.00 0.61 O ATOM 556 CB THR A 35 5.593 16.997 4.562 1.00 0.81 C ATOM 557 OG1 THR A 35 6.201 18.279 4.500 1.00 0.93 O ATOM 558 CG2 THR A 35 5.696 16.600 6.016 1.00 0.95 C ATOM 0 H THR A 35 8.142 17.081 4.712 1.00 0.64 H new ATOM 0 HA THR A 35 6.237 15.090 3.706 1.00 0.56 H new ATOM 0 HB THR A 35 4.556 16.922 4.234 1.00 0.81 H new ATOM 0 HG1 THR A 35 6.915 18.335 5.169 1.00 0.93 H new ATOM 0 HG21 THR A 35 5.034 17.228 6.612 1.00 0.95 H new ATOM 0 HG22 THR A 35 5.405 15.556 6.130 1.00 0.95 H new ATOM 0 HG23 THR A 35 6.723 16.729 6.357 1.00 0.95 H new ATOM 566 N VAL A 36 6.715 17.813 2.042 1.00 0.77 N ATOM 567 CA VAL A 36 6.609 18.412 0.673 1.00 0.78 C ATOM 568 C VAL A 36 7.823 18.041 -0.163 1.00 0.65 C ATOM 569 O VAL A 36 7.698 17.755 -1.338 1.00 0.63 O ATOM 570 CB VAL A 36 6.524 19.964 0.762 1.00 1.08 C ATOM 571 CG1 VAL A 36 6.394 20.552 -0.667 1.00 1.33 C ATOM 572 CG2 VAL A 36 5.298 20.396 1.572 1.00 0.99 C ATOM 0 H VAL A 36 7.108 18.434 2.750 1.00 0.77 H new ATOM 0 HA VAL A 36 5.705 18.021 0.206 1.00 0.78 H new ATOM 0 HB VAL A 36 7.427 20.329 1.251 1.00 1.08 H new ATOM 0 HG11 VAL A 36 6.334 21.639 -0.609 1.00 1.33 H new ATOM 0 HG12 VAL A 36 7.264 20.267 -1.258 1.00 1.33 H new ATOM 0 HG13 VAL A 36 5.492 20.164 -1.140 1.00 1.33 H new ATOM 0 HG21 VAL A 36 5.259 21.484 1.621 1.00 0.99 H new ATOM 0 HG22 VAL A 36 4.394 20.022 1.091 1.00 0.99 H new ATOM 0 HG23 VAL A 36 5.367 19.990 2.581 1.00 0.99 H new ATOM 582 N GLY A 37 8.964 18.050 0.472 1.00 0.66 N ATOM 583 CA GLY A 37 10.236 17.713 -0.237 1.00 0.62 C ATOM 584 C GLY A 37 11.073 18.970 -0.270 1.00 0.77 C ATOM 585 O GLY A 37 11.131 19.754 0.659 1.00 0.74 O ATOM 0 H GLY A 37 9.072 18.278 1.460 1.00 0.66 H new ATOM 0 HA2 GLY A 37 10.764 16.912 0.280 1.00 0.62 H new ATOM 0 HA3 GLY A 37 10.032 17.360 -1.248 1.00 0.62 H new ATOM 589 N ASP A 38 11.742 19.118 -1.372 1.00 0.97 N ATOM 590 CA ASP A 38 12.598 20.292 -1.568 1.00 1.23 C ATOM 591 C ASP A 38 11.863 21.597 -1.253 1.00 1.29 C ATOM 592 O ASP A 38 10.646 21.677 -1.187 1.00 2.08 O ATOM 593 CB ASP A 38 13.082 20.262 -3.041 1.00 1.70 C ATOM 594 CG ASP A 38 13.657 18.941 -3.549 1.00 1.88 C ATOM 595 OD1 ASP A 38 13.135 17.884 -3.231 1.00 1.70 O ATOM 596 OD2 ASP A 38 14.633 19.128 -4.261 1.00 2.31 O ATOM 0 H ASP A 38 11.726 18.461 -2.152 1.00 0.97 H new ATOM 0 HA ASP A 38 13.444 20.255 -0.881 1.00 1.23 H new ATOM 0 HB2 ASP A 38 12.243 20.536 -3.680 1.00 1.70 H new ATOM 0 HB3 ASP A 38 13.842 21.034 -3.165 1.00 1.70 H new ATOM 601 N ILE A 39 12.669 22.601 -1.098 1.00 0.95 N ATOM 602 CA ILE A 39 12.098 23.921 -0.786 1.00 0.81 C ATOM 603 C ILE A 39 11.480 24.380 -2.119 1.00 0.83 C ATOM 604 O ILE A 39 12.152 24.471 -3.132 1.00 0.96 O ATOM 605 CB ILE A 39 13.295 24.693 -0.228 1.00 0.71 C ATOM 606 CG1 ILE A 39 12.695 25.937 0.407 1.00 0.68 C ATOM 607 CG2 ILE A 39 14.388 24.969 -1.293 1.00 0.73 C ATOM 608 CD1 ILE A 39 13.723 26.567 1.327 1.00 0.63 C ATOM 0 H ILE A 39 13.685 22.562 -1.173 1.00 0.95 H new ATOM 0 HA ILE A 39 11.302 24.018 -0.048 1.00 0.81 H new ATOM 0 HB ILE A 39 13.848 24.117 0.514 1.00 0.71 H new ATOM 0 HG12 ILE A 39 12.395 26.646 -0.365 1.00 0.68 H new ATOM 0 HG13 ILE A 39 11.797 25.678 0.968 1.00 0.68 H new ATOM 0 HG21 ILE A 39 15.210 25.519 -0.836 1.00 0.73 H new ATOM 0 HG22 ILE A 39 14.759 24.023 -1.687 1.00 0.73 H new ATOM 0 HG23 ILE A 39 13.964 25.559 -2.105 1.00 0.73 H new ATOM 0 HD11 ILE A 39 13.301 27.460 1.787 1.00 0.63 H new ATOM 0 HD12 ILE A 39 14.000 25.855 2.104 1.00 0.63 H new ATOM 0 HD13 ILE A 39 14.608 26.839 0.752 1.00 0.63 H new ATOM 805 N LYS A 52 14.155 34.135 6.480 1.00 0.60 N ATOM 806 CA LYS A 52 15.433 33.679 5.799 1.00 0.48 C ATOM 807 C LYS A 52 15.996 32.412 6.453 1.00 0.22 C ATOM 808 O LYS A 52 16.382 31.488 5.774 1.00 0.31 O ATOM 809 CB LYS A 52 16.501 34.819 5.853 1.00 0.51 C ATOM 810 CG LYS A 52 17.122 34.973 7.268 1.00 0.73 C ATOM 811 CD LYS A 52 18.003 36.236 7.320 1.00 1.44 C ATOM 812 CE LYS A 52 18.678 36.274 8.690 1.00 3.81 C ATOM 813 NZ LYS A 52 19.220 37.651 8.924 1.00 5.55 N ATOM 0 HA LYS A 52 15.195 33.447 4.761 1.00 0.48 H new ATOM 0 HB2 LYS A 52 17.291 34.609 5.132 1.00 0.51 H new ATOM 0 HB3 LYS A 52 16.040 35.761 5.556 1.00 0.51 H new ATOM 0 HG2 LYS A 52 16.332 35.039 8.016 1.00 0.73 H new ATOM 0 HG3 LYS A 52 17.718 34.093 7.511 1.00 0.73 H new ATOM 0 HD2 LYS A 52 18.750 36.215 6.526 1.00 1.44 H new ATOM 0 HD3 LYS A 52 17.399 37.130 7.166 1.00 1.44 H new ATOM 0 HE2 LYS A 52 17.963 36.012 9.470 1.00 3.81 H new ATOM 0 HE3 LYS A 52 19.482 35.539 8.735 1.00 3.81 H new ATOM 0 HZ1 LYS A 52 19.682 37.689 9.855 1.00 5.55 H new ATOM 0 HZ2 LYS A 52 19.913 37.882 8.184 1.00 5.55 H new ATOM 0 HZ3 LYS A 52 18.441 38.340 8.896 1.00 5.55 H new ATOM 827 N ALA A 53 15.971 32.441 7.766 1.00 0.26 N ATOM 828 CA ALA A 53 16.482 31.300 8.574 1.00 0.30 C ATOM 829 C ALA A 53 15.657 30.069 8.174 1.00 0.21 C ATOM 830 O ALA A 53 16.150 29.142 7.594 1.00 0.19 O ATOM 831 CB ALA A 53 16.297 31.698 10.034 1.00 0.50 C ATOM 0 H ALA A 53 15.611 33.222 8.315 1.00 0.26 H new ATOM 0 HA ALA A 53 17.534 31.063 8.412 1.00 0.30 H new ATOM 0 HB1 ALA A 53 16.656 30.895 10.678 1.00 0.50 H new ATOM 0 HB2 ALA A 53 16.862 32.607 10.238 1.00 0.50 H new ATOM 0 HB3 ALA A 53 15.240 31.876 10.231 1.00 0.50 H new ATOM 837 N LYS A 54 14.399 30.078 8.487 1.00 0.38 N ATOM 838 CA LYS A 54 13.523 28.928 8.127 1.00 0.48 C ATOM 839 C LYS A 54 13.675 28.444 6.669 1.00 0.32 C ATOM 840 O LYS A 54 13.800 27.258 6.401 1.00 0.28 O ATOM 841 CB LYS A 54 12.126 29.413 8.471 1.00 0.77 C ATOM 842 CG LYS A 54 12.057 29.411 10.022 1.00 3.06 C ATOM 843 CD LYS A 54 10.630 29.130 10.433 1.00 4.61 C ATOM 844 CE LYS A 54 9.761 30.364 10.333 1.00 5.13 C ATOM 845 NZ LYS A 54 10.231 31.273 11.419 1.00 7.69 N ATOM 0 H LYS A 54 13.931 30.838 8.981 1.00 0.38 H new ATOM 0 HA LYS A 54 13.794 28.027 8.678 1.00 0.48 H new ATOM 0 HB2 LYS A 54 11.948 30.411 8.071 1.00 0.77 H new ATOM 0 HB3 LYS A 54 11.367 28.758 8.043 1.00 0.77 H new ATOM 0 HG2 LYS A 54 12.726 28.654 10.431 1.00 3.06 H new ATOM 0 HG3 LYS A 54 12.384 30.373 10.418 1.00 3.06 H new ATOM 0 HD2 LYS A 54 10.218 28.344 9.800 1.00 4.61 H new ATOM 0 HD3 LYS A 54 10.614 28.757 11.457 1.00 4.61 H new ATOM 0 HE2 LYS A 54 9.861 30.836 9.356 1.00 5.13 H new ATOM 0 HE3 LYS A 54 8.708 30.113 10.460 1.00 5.13 H new ATOM 0 HZ1 LYS A 54 9.433 31.845 11.762 1.00 7.69 H new ATOM 0 HZ2 LYS A 54 10.614 30.708 12.203 1.00 7.69 H new ATOM 0 HZ3 LYS A 54 10.974 31.900 11.049 1.00 7.69 H new ATOM 859 N TRP A 55 13.676 29.388 5.762 1.00 0.37 N ATOM 860 CA TRP A 55 13.809 29.019 4.333 1.00 0.43 C ATOM 861 C TRP A 55 15.147 28.354 4.088 1.00 0.33 C ATOM 862 O TRP A 55 15.247 27.198 3.740 1.00 0.37 O ATOM 863 CB TRP A 55 13.693 30.280 3.444 1.00 0.49 C ATOM 864 CG TRP A 55 13.508 29.840 1.969 1.00 0.56 C ATOM 865 CD1 TRP A 55 12.302 29.657 1.327 1.00 0.65 C ATOM 866 CD2 TRP A 55 14.514 29.537 1.105 1.00 0.59 C ATOM 867 NE1 TRP A 55 12.665 29.251 0.123 1.00 0.74 N ATOM 868 CE2 TRP A 55 13.954 29.152 -0.107 1.00 0.71 C ATOM 869 CE3 TRP A 55 15.906 29.546 1.221 1.00 0.55 C ATOM 870 CZ2 TRP A 55 14.741 28.785 -1.188 1.00 0.77 C ATOM 871 CZ3 TRP A 55 16.710 29.179 0.148 1.00 0.63 C ATOM 872 CH2 TRP A 55 16.133 28.798 -1.060 1.00 0.75 C ATOM 0 H TRP A 55 13.591 30.386 5.953 1.00 0.37 H new ATOM 0 HA TRP A 55 13.009 28.324 4.079 1.00 0.43 H new ATOM 0 HB2 TRP A 55 12.848 30.890 3.764 1.00 0.49 H new ATOM 0 HB3 TRP A 55 14.587 30.895 3.544 1.00 0.49 H new ATOM 0 HD1 TRP A 55 11.305 29.808 1.713 1.00 0.65 H new ATOM 0 HE1 TRP A 55 11.976 29.025 -0.594 1.00 0.74 H new ATOM 0 HE3 TRP A 55 16.362 29.841 2.154 1.00 0.55 H new ATOM 0 HZ2 TRP A 55 14.283 28.492 -2.121 1.00 0.77 H new ATOM 0 HZ3 TRP A 55 17.785 29.190 0.252 1.00 0.63 H new ATOM 0 HH2 TRP A 55 16.757 28.514 -1.894 1.00 0.75 H new ATOM 883 N ASP A 56 16.168 29.115 4.319 1.00 0.25 N ATOM 884 CA ASP A 56 17.552 28.582 4.102 1.00 0.34 C ATOM 885 C ASP A 56 17.759 27.275 4.871 1.00 0.26 C ATOM 886 O ASP A 56 18.299 26.319 4.362 1.00 0.27 O ATOM 887 CB ASP A 56 18.529 29.684 4.521 1.00 0.45 C ATOM 888 CG ASP A 56 18.656 30.688 3.378 1.00 0.69 C ATOM 889 OD1 ASP A 56 19.018 30.252 2.297 1.00 2.01 O ATOM 890 OD2 ASP A 56 18.391 31.854 3.596 1.00 0.67 O ATOM 0 H ASP A 56 16.117 30.079 4.647 1.00 0.25 H new ATOM 0 HA ASP A 56 17.723 28.330 3.055 1.00 0.34 H new ATOM 0 HB2 ASP A 56 18.173 30.182 5.423 1.00 0.45 H new ATOM 0 HB3 ASP A 56 19.503 29.255 4.757 1.00 0.45 H new ATOM 895 N ALA A 57 17.315 27.248 6.089 1.00 0.18 N ATOM 896 CA ALA A 57 17.433 26.047 6.952 1.00 0.17 C ATOM 897 C ALA A 57 16.723 24.875 6.232 1.00 0.16 C ATOM 898 O ALA A 57 17.182 23.752 6.284 1.00 0.21 O ATOM 899 CB ALA A 57 16.779 26.372 8.296 1.00 0.20 C ATOM 0 H ALA A 57 16.857 28.040 6.540 1.00 0.18 H new ATOM 0 HA ALA A 57 18.470 25.763 7.133 1.00 0.17 H new ATOM 0 HB1 ALA A 57 16.850 25.506 8.954 1.00 0.20 H new ATOM 0 HB2 ALA A 57 17.290 27.219 8.754 1.00 0.20 H new ATOM 0 HB3 ALA A 57 15.730 26.623 8.139 1.00 0.20 H new ATOM 905 N TRP A 58 15.619 25.140 5.567 1.00 0.19 N ATOM 906 CA TRP A 58 14.932 24.006 4.860 1.00 0.30 C ATOM 907 C TRP A 58 15.769 23.718 3.609 1.00 0.35 C ATOM 908 O TRP A 58 16.071 22.577 3.347 1.00 0.45 O ATOM 909 CB TRP A 58 13.533 24.431 4.501 1.00 0.38 C ATOM 910 CG TRP A 58 12.862 23.353 3.611 1.00 0.46 C ATOM 911 CD1 TRP A 58 13.294 22.076 3.304 1.00 0.48 C ATOM 912 CD2 TRP A 58 11.705 23.576 2.970 1.00 0.48 C ATOM 913 NE1 TRP A 58 12.345 21.647 2.487 1.00 0.51 N ATOM 914 CE2 TRP A 58 11.340 22.467 2.218 1.00 0.51 C ATOM 915 CE3 TRP A 58 10.908 24.718 3.000 1.00 0.48 C ATOM 916 CZ2 TRP A 58 10.149 22.513 1.483 1.00 0.56 C ATOM 917 CZ3 TRP A 58 9.728 24.759 2.271 1.00 0.52 C ATOM 918 CH2 TRP A 58 9.351 23.658 1.511 1.00 0.56 C ATOM 0 H TRP A 58 15.177 26.056 5.484 1.00 0.19 H new ATOM 0 HA TRP A 58 14.854 23.110 5.476 1.00 0.30 H new ATOM 0 HB2 TRP A 58 12.947 24.582 5.407 1.00 0.38 H new ATOM 0 HB3 TRP A 58 13.558 25.385 3.974 1.00 0.38 H new ATOM 0 HD1 TRP A 58 14.180 21.560 3.644 1.00 0.48 H new ATOM 0 HE1 TRP A 58 12.386 20.714 2.077 1.00 0.51 H new ATOM 0 HE3 TRP A 58 11.208 25.571 3.590 1.00 0.48 H new ATOM 0 HZ2 TRP A 58 9.847 21.660 0.893 1.00 0.56 H new ATOM 0 HZ3 TRP A 58 9.106 25.642 2.294 1.00 0.52 H new ATOM 0 HH2 TRP A 58 8.435 23.689 0.939 1.00 0.56 H new ATOM 929 N ASN A 59 16.114 24.742 2.890 1.00 0.31 N ATOM 930 CA ASN A 59 16.937 24.663 1.648 1.00 0.38 C ATOM 931 C ASN A 59 18.158 23.739 1.954 1.00 0.39 C ATOM 932 O ASN A 59 18.523 22.906 1.155 1.00 0.42 O ATOM 933 CB ASN A 59 17.298 26.099 1.359 1.00 0.42 C ATOM 934 CG ASN A 59 18.162 26.281 0.153 1.00 1.07 C ATOM 935 OD1 ASN A 59 17.918 25.753 -0.913 1.00 1.44 O ATOM 936 ND2 ASN A 59 19.190 27.049 0.313 1.00 1.46 N ATOM 0 H ASN A 59 15.841 25.695 3.128 1.00 0.31 H new ATOM 0 HA ASN A 59 16.447 24.232 0.775 1.00 0.38 H new ATOM 0 HB2 ASN A 59 16.381 26.673 1.226 1.00 0.42 H new ATOM 0 HB3 ASN A 59 17.811 26.515 2.226 1.00 0.42 H new ATOM 0 HD21 ASN A 59 19.822 27.225 -0.468 1.00 1.46 H new ATOM 0 HD22 ASN A 59 19.369 27.479 1.221 1.00 1.46 H new ATOM 943 N GLU A 60 18.728 23.944 3.114 1.00 0.36 N ATOM 944 CA GLU A 60 19.902 23.171 3.633 1.00 0.39 C ATOM 945 C GLU A 60 19.650 21.633 3.443 1.00 0.49 C ATOM 946 O GLU A 60 20.552 20.829 3.310 1.00 0.53 O ATOM 947 CB GLU A 60 20.061 23.545 5.129 1.00 0.34 C ATOM 948 CG GLU A 60 21.414 23.027 5.703 1.00 0.23 C ATOM 949 CD GLU A 60 22.601 23.922 5.309 1.00 2.20 C ATOM 950 OE1 GLU A 60 22.975 23.903 4.147 1.00 3.34 O ATOM 951 OE2 GLU A 60 23.074 24.587 6.217 1.00 3.15 O ATOM 0 H GLU A 60 18.405 24.662 3.763 1.00 0.36 H new ATOM 0 HA GLU A 60 20.817 23.413 3.092 1.00 0.39 H new ATOM 0 HB2 GLU A 60 20.006 24.628 5.243 1.00 0.34 H new ATOM 0 HB3 GLU A 60 19.235 23.122 5.701 1.00 0.34 H new ATOM 0 HG2 GLU A 60 21.348 22.974 6.790 1.00 0.23 H new ATOM 0 HG3 GLU A 60 21.593 22.013 5.345 1.00 0.23 H new ATOM 958 N LEU A 61 18.388 21.291 3.443 1.00 0.52 N ATOM 959 CA LEU A 61 17.893 19.893 3.281 1.00 0.60 C ATOM 960 C LEU A 61 17.118 19.684 1.961 1.00 0.86 C ATOM 961 O LEU A 61 16.612 18.618 1.699 1.00 1.24 O ATOM 962 CB LEU A 61 16.990 19.586 4.479 1.00 0.34 C ATOM 963 CG LEU A 61 17.710 19.831 5.806 1.00 0.27 C ATOM 964 CD1 LEU A 61 16.663 19.704 6.889 1.00 0.39 C ATOM 965 CD2 LEU A 61 18.777 18.738 6.046 1.00 0.72 C ATOM 0 H LEU A 61 17.636 21.971 3.556 1.00 0.52 H new ATOM 0 HA LEU A 61 18.747 19.217 3.240 1.00 0.60 H new ATOM 0 HB2 LEU A 61 16.096 20.207 4.430 1.00 0.34 H new ATOM 0 HB3 LEU A 61 16.660 18.548 4.430 1.00 0.34 H new ATOM 0 HG LEU A 61 18.196 20.807 5.802 1.00 0.27 H new ATOM 0 HD11 LEU A 61 17.124 19.870 7.862 1.00 0.39 H new ATOM 0 HD12 LEU A 61 15.880 20.445 6.727 1.00 0.39 H new ATOM 0 HD13 LEU A 61 16.228 18.705 6.860 1.00 0.39 H new ATOM 0 HD21 LEU A 61 19.282 18.924 6.994 1.00 0.72 H new ATOM 0 HD22 LEU A 61 18.296 17.760 6.077 1.00 0.72 H new ATOM 0 HD23 LEU A 61 19.506 18.758 5.236 1.00 0.72 H new ATOM 977 N LYS A 62 17.030 20.686 1.140 1.00 0.70 N ATOM 978 CA LYS A 62 16.314 20.643 -0.161 1.00 0.91 C ATOM 979 C LYS A 62 16.152 19.343 -0.910 1.00 1.18 C ATOM 980 O LYS A 62 15.081 19.048 -1.365 1.00 1.28 O ATOM 981 CB LYS A 62 16.980 21.721 -1.105 1.00 0.76 C ATOM 982 CG LYS A 62 16.209 21.724 -2.438 1.00 0.78 C ATOM 983 CD LYS A 62 16.813 22.631 -3.519 1.00 2.10 C ATOM 984 CE LYS A 62 16.034 22.334 -4.817 1.00 3.60 C ATOM 985 NZ LYS A 62 16.448 20.972 -5.286 1.00 3.36 N ATOM 0 H LYS A 62 17.455 21.593 1.333 1.00 0.70 H new ATOM 0 HA LYS A 62 15.280 20.838 0.122 1.00 0.91 H new ATOM 0 HB2 LYS A 62 16.945 22.707 -0.642 1.00 0.76 H new ATOM 0 HB3 LYS A 62 18.031 21.484 -1.273 1.00 0.76 H new ATOM 0 HG2 LYS A 62 16.165 20.704 -2.820 1.00 0.78 H new ATOM 0 HG3 LYS A 62 15.183 22.039 -2.249 1.00 0.78 H new ATOM 0 HD2 LYS A 62 16.721 23.681 -3.242 1.00 2.10 H new ATOM 0 HD3 LYS A 62 17.876 22.428 -3.648 1.00 2.10 H new ATOM 0 HE2 LYS A 62 14.960 22.368 -4.636 1.00 3.60 H new ATOM 0 HE3 LYS A 62 16.253 23.085 -5.576 1.00 3.60 H new ATOM 0 HZ1 LYS A 62 16.547 20.976 -6.321 1.00 3.36 H new ATOM 0 HZ2 LYS A 62 17.358 20.717 -4.852 1.00 3.36 H new ATOM 0 HZ3 LYS A 62 15.726 20.276 -5.010 1.00 3.36 H new ATOM 999 N GLY A 63 17.162 18.568 -1.041 1.00 1.25 N ATOM 1000 CA GLY A 63 17.040 17.260 -1.796 1.00 1.43 C ATOM 1001 C GLY A 63 17.214 16.067 -0.850 1.00 1.21 C ATOM 1002 O GLY A 63 17.290 14.926 -1.262 1.00 1.45 O ATOM 0 H GLY A 63 18.090 18.761 -0.664 1.00 1.25 H new ATOM 0 HA2 GLY A 63 16.066 17.205 -2.282 1.00 1.43 H new ATOM 0 HA3 GLY A 63 17.792 17.218 -2.584 1.00 1.43 H new ATOM 1006 N THR A 64 17.274 16.383 0.414 1.00 0.80 N ATOM 1007 CA THR A 64 17.432 15.341 1.481 1.00 0.65 C ATOM 1008 C THR A 64 16.242 14.415 1.295 1.00 0.97 C ATOM 1009 O THR A 64 15.240 14.854 0.752 1.00 1.47 O ATOM 1010 CB THR A 64 17.350 15.984 2.852 1.00 0.58 C ATOM 1011 OG1 THR A 64 18.399 16.937 2.885 1.00 0.85 O ATOM 1012 CG2 THR A 64 17.668 15.000 3.975 1.00 0.72 C ATOM 0 H THR A 64 17.219 17.339 0.765 1.00 0.80 H new ATOM 0 HA THR A 64 18.389 14.824 1.410 1.00 0.65 H new ATOM 0 HB THR A 64 16.345 16.381 2.997 1.00 0.58 H new ATOM 0 HG1 THR A 64 18.718 17.040 3.806 1.00 0.85 H new ATOM 0 HG21 THR A 64 17.596 15.509 4.936 1.00 0.72 H new ATOM 0 HG22 THR A 64 16.957 14.174 3.947 1.00 0.72 H new ATOM 0 HG23 THR A 64 18.679 14.613 3.844 1.00 0.72 H new ATOM 1020 N SER A 65 16.299 13.193 1.746 1.00 0.79 N ATOM 1021 CA SER A 65 15.085 12.360 1.507 1.00 1.21 C ATOM 1022 C SER A 65 14.026 12.814 2.516 1.00 1.34 C ATOM 1023 O SER A 65 14.098 13.858 3.144 1.00 2.43 O ATOM 1024 CB SER A 65 15.457 10.877 1.723 1.00 1.51 C ATOM 1025 OG SER A 65 14.292 10.141 1.358 1.00 3.71 O ATOM 0 H SER A 65 17.077 12.755 2.238 1.00 0.79 H new ATOM 0 HA SER A 65 14.701 12.472 0.493 1.00 1.21 H new ATOM 0 HB2 SER A 65 16.311 10.592 1.109 1.00 1.51 H new ATOM 0 HB3 SER A 65 15.733 10.688 2.760 1.00 1.51 H new ATOM 0 HG SER A 65 13.885 10.546 0.564 1.00 3.71 H new ATOM 1031 N LYS A 66 13.048 11.982 2.617 1.00 1.06 N ATOM 1032 CA LYS A 66 11.941 12.240 3.548 1.00 0.99 C ATOM 1033 C LYS A 66 12.303 11.419 4.775 1.00 0.82 C ATOM 1034 O LYS A 66 12.175 11.910 5.870 1.00 0.74 O ATOM 1035 CB LYS A 66 10.634 11.807 2.850 1.00 0.92 C ATOM 1036 CG LYS A 66 10.489 12.788 1.658 1.00 2.02 C ATOM 1037 CD LYS A 66 9.119 12.613 0.977 1.00 2.01 C ATOM 1038 CE LYS A 66 8.886 13.773 0.001 1.00 2.36 C ATOM 1039 NZ LYS A 66 9.953 13.716 -1.055 1.00 3.05 N ATOM 0 H LYS A 66 12.968 11.117 2.083 1.00 1.06 H new ATOM 0 HA LYS A 66 11.790 13.280 3.839 1.00 0.99 H new ATOM 0 HB2 LYS A 66 10.689 10.773 2.509 1.00 0.92 H new ATOM 0 HB3 LYS A 66 9.782 11.874 3.526 1.00 0.92 H new ATOM 0 HG2 LYS A 66 10.599 13.814 2.009 1.00 2.02 H new ATOM 0 HG3 LYS A 66 11.286 12.611 0.935 1.00 2.02 H new ATOM 0 HD2 LYS A 66 9.083 11.662 0.445 1.00 2.01 H new ATOM 0 HD3 LYS A 66 8.328 12.589 1.726 1.00 2.01 H new ATOM 0 HE2 LYS A 66 7.898 13.696 -0.452 1.00 2.36 H new ATOM 0 HE3 LYS A 66 8.922 14.727 0.528 1.00 2.36 H new ATOM 0 HZ1 LYS A 66 9.672 14.306 -1.864 1.00 3.05 H new ATOM 0 HZ2 LYS A 66 10.849 14.070 -0.663 1.00 3.05 H new ATOM 0 HZ3 LYS A 66 10.078 12.733 -1.370 1.00 3.05 H new ATOM 1053 N GLU A 67 12.767 10.217 4.545 1.00 0.78 N ATOM 1054 CA GLU A 67 13.172 9.264 5.609 1.00 0.72 C ATOM 1055 C GLU A 67 14.196 9.782 6.614 1.00 0.58 C ATOM 1056 O GLU A 67 13.956 9.753 7.801 1.00 0.58 O ATOM 1057 CB GLU A 67 13.713 8.046 4.899 1.00 0.82 C ATOM 1058 CG GLU A 67 12.612 7.167 4.240 1.00 1.36 C ATOM 1059 CD GLU A 67 13.303 5.982 3.592 1.00 1.35 C ATOM 1060 OE1 GLU A 67 13.643 5.103 4.373 1.00 3.25 O ATOM 1061 OE2 GLU A 67 13.453 6.052 2.388 1.00 0.88 O ATOM 0 H GLU A 67 12.885 9.843 3.603 1.00 0.78 H new ATOM 0 HA GLU A 67 12.294 9.061 6.222 1.00 0.72 H new ATOM 0 HB2 GLU A 67 14.417 8.367 4.131 1.00 0.82 H new ATOM 0 HB3 GLU A 67 14.272 7.439 5.611 1.00 0.82 H new ATOM 0 HG2 GLU A 67 11.892 6.830 4.986 1.00 1.36 H new ATOM 0 HG3 GLU A 67 12.057 7.740 3.498 1.00 1.36 H new ATOM 1068 N ASP A 68 15.308 10.236 6.107 1.00 0.44 N ATOM 1069 CA ASP A 68 16.402 10.774 6.939 1.00 0.20 C ATOM 1070 C ASP A 68 15.832 11.796 7.896 1.00 0.48 C ATOM 1071 O ASP A 68 15.983 11.737 9.096 1.00 0.57 O ATOM 1072 CB ASP A 68 17.384 11.380 5.966 1.00 0.31 C ATOM 1073 CG ASP A 68 17.944 10.324 5.035 1.00 1.17 C ATOM 1074 OD1 ASP A 68 17.162 9.854 4.228 1.00 3.36 O ATOM 1075 OD2 ASP A 68 19.117 10.063 5.198 1.00 1.22 O ATOM 0 H ASP A 68 15.503 10.253 5.106 1.00 0.44 H new ATOM 0 HA ASP A 68 16.898 10.018 7.549 1.00 0.20 H new ATOM 0 HB2 ASP A 68 16.892 12.159 5.384 1.00 0.31 H new ATOM 0 HB3 ASP A 68 18.197 11.856 6.513 1.00 0.31 H new ATOM 1080 N ALA A 69 15.171 12.703 7.241 1.00 0.54 N ATOM 1081 CA ALA A 69 14.500 13.840 7.919 1.00 0.60 C ATOM 1082 C ALA A 69 13.547 13.242 8.945 1.00 0.59 C ATOM 1083 O ALA A 69 13.661 13.530 10.110 1.00 0.71 O ATOM 1084 CB ALA A 69 13.792 14.637 6.833 1.00 0.62 C ATOM 0 H ALA A 69 15.065 12.702 6.227 1.00 0.54 H new ATOM 0 HA ALA A 69 15.177 14.513 8.445 1.00 0.60 H new ATOM 0 HB1 ALA A 69 13.280 15.489 7.282 1.00 0.62 H new ATOM 0 HB2 ALA A 69 14.524 14.994 6.108 1.00 0.62 H new ATOM 0 HB3 ALA A 69 13.064 14.000 6.330 1.00 0.62 H new ATOM 1090 N MET A 70 12.632 12.427 8.498 1.00 0.51 N ATOM 1091 CA MET A 70 11.641 11.763 9.379 1.00 0.53 C ATOM 1092 C MET A 70 12.290 11.177 10.636 1.00 0.54 C ATOM 1093 O MET A 70 11.978 11.535 11.744 1.00 0.55 O ATOM 1094 CB MET A 70 11.001 10.746 8.449 1.00 0.49 C ATOM 1095 CG MET A 70 10.066 11.583 7.532 1.00 0.61 C ATOM 1096 SD MET A 70 9.431 10.927 5.969 1.00 0.81 S ATOM 1097 CE MET A 70 7.855 11.821 5.892 1.00 0.68 C ATOM 0 H MET A 70 12.531 12.187 7.512 1.00 0.51 H new ATOM 0 HA MET A 70 10.896 12.434 9.807 1.00 0.53 H new ATOM 0 HB2 MET A 70 11.753 10.213 7.867 1.00 0.49 H new ATOM 0 HB3 MET A 70 10.440 9.996 9.008 1.00 0.49 H new ATOM 0 HG2 MET A 70 9.200 11.861 8.133 1.00 0.61 H new ATOM 0 HG3 MET A 70 10.598 12.504 7.295 1.00 0.61 H new ATOM 0 HE1 MET A 70 7.562 11.953 4.850 1.00 0.68 H new ATOM 0 HE2 MET A 70 7.087 11.251 6.416 1.00 0.68 H new ATOM 0 HE3 MET A 70 7.967 12.797 6.364 1.00 0.68 H new ATOM 1107 N LYS A 71 13.193 10.282 10.403 1.00 0.55 N ATOM 1108 CA LYS A 71 13.950 9.592 11.479 1.00 0.55 C ATOM 1109 C LYS A 71 14.674 10.635 12.354 1.00 0.49 C ATOM 1110 O LYS A 71 14.399 10.725 13.534 1.00 0.53 O ATOM 1111 CB LYS A 71 14.877 8.607 10.736 1.00 0.66 C ATOM 1112 CG LYS A 71 13.900 7.607 10.038 1.00 1.10 C ATOM 1113 CD LYS A 71 14.559 6.812 8.894 1.00 1.69 C ATOM 1114 CE LYS A 71 13.416 6.167 8.091 1.00 4.07 C ATOM 1115 NZ LYS A 71 14.003 5.424 6.932 1.00 5.62 N ATOM 0 H LYS A 71 13.453 9.983 9.463 1.00 0.55 H new ATOM 0 HA LYS A 71 13.331 9.037 12.184 1.00 0.55 H new ATOM 0 HB2 LYS A 71 15.504 9.123 10.009 1.00 0.66 H new ATOM 0 HB3 LYS A 71 15.546 8.093 11.426 1.00 0.66 H new ATOM 0 HG2 LYS A 71 13.513 6.909 10.781 1.00 1.10 H new ATOM 0 HG3 LYS A 71 13.047 8.159 9.644 1.00 1.10 H new ATOM 0 HD2 LYS A 71 15.156 7.468 8.260 1.00 1.69 H new ATOM 0 HD3 LYS A 71 15.232 6.051 9.289 1.00 1.69 H new ATOM 0 HE2 LYS A 71 12.845 5.488 8.725 1.00 4.07 H new ATOM 0 HE3 LYS A 71 12.724 6.932 7.738 1.00 4.07 H new ATOM 0 HZ1 LYS A 71 13.407 5.565 6.092 1.00 5.62 H new ATOM 0 HZ2 LYS A 71 14.961 5.780 6.740 1.00 5.62 H new ATOM 0 HZ3 LYS A 71 14.050 4.410 7.158 1.00 5.62 H new ATOM 1129 N ALA A 72 15.561 11.411 11.784 1.00 0.51 N ATOM 1130 CA ALA A 72 16.291 12.443 12.574 1.00 0.62 C ATOM 1131 C ALA A 72 15.289 13.287 13.388 1.00 0.59 C ATOM 1132 O ALA A 72 15.478 13.558 14.553 1.00 0.56 O ATOM 1133 CB ALA A 72 17.072 13.299 11.571 1.00 0.72 C ATOM 0 H ALA A 72 15.811 11.372 10.796 1.00 0.51 H new ATOM 0 HA ALA A 72 16.978 11.992 13.290 1.00 0.62 H new ATOM 0 HB1 ALA A 72 17.625 14.072 12.105 1.00 0.72 H new ATOM 0 HB2 ALA A 72 17.770 12.668 11.020 1.00 0.72 H new ATOM 0 HB3 ALA A 72 16.377 13.766 10.873 1.00 0.72 H new ATOM 1139 N TYR A 73 14.229 13.667 12.733 1.00 0.62 N ATOM 1140 CA TYR A 73 13.154 14.486 13.342 1.00 0.58 C ATOM 1141 C TYR A 73 12.512 13.723 14.499 1.00 0.46 C ATOM 1142 O TYR A 73 12.389 14.267 15.564 1.00 0.42 O ATOM 1143 CB TYR A 73 12.205 14.775 12.197 1.00 0.56 C ATOM 1144 CG TYR A 73 11.040 15.681 12.542 1.00 0.52 C ATOM 1145 CD1 TYR A 73 10.051 15.326 13.439 1.00 2.35 C ATOM 1146 CD2 TYR A 73 10.977 16.893 11.908 1.00 2.45 C ATOM 1147 CE1 TYR A 73 9.007 16.193 13.682 1.00 2.25 C ATOM 1148 CE2 TYR A 73 9.946 17.741 12.158 1.00 2.51 C ATOM 1149 CZ TYR A 73 8.961 17.398 13.039 1.00 0.43 C ATOM 1150 OH TYR A 73 7.925 18.265 13.264 1.00 0.42 O ATOM 0 H TYR A 73 14.061 13.430 11.755 1.00 0.62 H new ATOM 0 HA TYR A 73 13.502 15.419 13.785 1.00 0.58 H new ATOM 0 HB2 TYR A 73 12.770 15.229 11.383 1.00 0.56 H new ATOM 0 HB3 TYR A 73 11.812 13.829 11.824 1.00 0.56 H new ATOM 0 HD1 TYR A 73 10.096 14.374 13.947 1.00 2.35 H new ATOM 0 HD2 TYR A 73 11.749 17.175 11.207 1.00 2.45 H new ATOM 0 HE1 TYR A 73 8.228 15.921 14.378 1.00 2.25 H new ATOM 0 HE2 TYR A 73 9.905 18.696 11.655 1.00 2.51 H new ATOM 0 HH TYR A 73 7.555 18.563 12.407 1.00 0.42 H new ATOM 1160 N ILE A 74 12.120 12.506 14.280 1.00 0.47 N ATOM 1161 CA ILE A 74 11.483 11.689 15.362 1.00 0.45 C ATOM 1162 C ILE A 74 12.420 11.663 16.590 1.00 0.49 C ATOM 1163 O ILE A 74 12.003 12.008 17.677 1.00 0.47 O ATOM 1164 CB ILE A 74 11.223 10.271 14.792 1.00 0.56 C ATOM 1165 CG1 ILE A 74 10.114 10.313 13.681 1.00 0.42 C ATOM 1166 CG2 ILE A 74 10.676 9.408 15.948 1.00 0.77 C ATOM 1167 CD1 ILE A 74 10.295 9.132 12.713 1.00 0.33 C ATOM 0 H ILE A 74 12.212 12.027 13.384 1.00 0.47 H new ATOM 0 HA ILE A 74 10.533 12.114 15.686 1.00 0.45 H new ATOM 0 HB ILE A 74 12.146 9.876 14.369 1.00 0.56 H new ATOM 0 HG12 ILE A 74 9.126 10.270 14.140 1.00 0.42 H new ATOM 0 HG13 ILE A 74 10.171 11.254 13.134 1.00 0.42 H new ATOM 0 HG21 ILE A 74 10.479 8.399 15.587 1.00 0.77 H new ATOM 0 HG22 ILE A 74 11.411 9.369 16.752 1.00 0.77 H new ATOM 0 HG23 ILE A 74 9.751 9.846 16.323 1.00 0.77 H new ATOM 0 HD11 ILE A 74 9.522 9.169 11.946 1.00 0.33 H new ATOM 0 HD12 ILE A 74 11.276 9.194 12.243 1.00 0.33 H new ATOM 0 HD13 ILE A 74 10.215 8.195 13.264 1.00 0.33 H new ATOM 1179 N ASP A 75 13.647 11.277 16.369 1.00 0.55 N ATOM 1180 CA ASP A 75 14.647 11.208 17.454 1.00 0.62 C ATOM 1181 C ASP A 75 14.810 12.610 18.074 1.00 0.49 C ATOM 1182 O ASP A 75 14.773 12.776 19.276 1.00 0.52 O ATOM 1183 CB ASP A 75 15.876 10.646 16.759 1.00 0.79 C ATOM 1184 CG ASP A 75 15.631 9.167 16.473 1.00 1.06 C ATOM 1185 OD1 ASP A 75 14.717 8.912 15.716 1.00 1.85 O ATOM 1186 OD2 ASP A 75 16.357 8.363 17.024 1.00 2.77 O ATOM 0 H ASP A 75 14.000 11.000 15.453 1.00 0.55 H new ATOM 0 HA ASP A 75 14.391 10.576 18.305 1.00 0.62 H new ATOM 0 HB2 ASP A 75 16.067 11.185 15.831 1.00 0.79 H new ATOM 0 HB3 ASP A 75 16.758 10.770 17.388 1.00 0.79 H new ATOM 1191 N LYS A 76 14.983 13.609 17.251 1.00 0.45 N ATOM 1192 CA LYS A 76 15.137 14.986 17.815 1.00 0.47 C ATOM 1193 C LYS A 76 13.864 15.278 18.643 1.00 0.49 C ATOM 1194 O LYS A 76 13.981 15.762 19.748 1.00 0.49 O ATOM 1195 CB LYS A 76 15.321 16.004 16.648 1.00 0.49 C ATOM 1196 CG LYS A 76 16.692 16.763 16.864 1.00 0.61 C ATOM 1197 CD LYS A 76 16.693 17.609 18.203 1.00 0.87 C ATOM 1198 CE LYS A 76 18.116 18.082 18.623 1.00 1.40 C ATOM 1199 NZ LYS A 76 18.543 19.231 17.762 1.00 1.69 N ATOM 0 H LYS A 76 15.024 13.538 16.234 1.00 0.45 H new ATOM 0 HA LYS A 76 16.015 15.072 18.456 1.00 0.47 H new ATOM 0 HB2 LYS A 76 15.320 15.486 15.689 1.00 0.49 H new ATOM 0 HB3 LYS A 76 14.493 16.713 16.628 1.00 0.49 H new ATOM 0 HG2 LYS A 76 17.507 16.040 16.891 1.00 0.61 H new ATOM 0 HG3 LYS A 76 16.879 17.423 16.017 1.00 0.61 H new ATOM 0 HD2 LYS A 76 16.049 18.480 18.077 1.00 0.87 H new ATOM 0 HD3 LYS A 76 16.264 17.009 19.006 1.00 0.87 H new ATOM 0 HE2 LYS A 76 18.115 18.382 19.671 1.00 1.40 H new ATOM 0 HE3 LYS A 76 18.826 17.260 18.527 1.00 1.40 H new ATOM 0 HZ1 LYS A 76 19.167 19.860 18.307 1.00 1.69 H new ATOM 0 HZ2 LYS A 76 19.054 18.871 16.931 1.00 1.69 H new ATOM 0 HZ3 LYS A 76 17.705 19.761 17.450 1.00 1.69 H new ATOM 1213 N VAL A 77 12.673 15.011 18.162 1.00 0.55 N ATOM 1214 CA VAL A 77 11.446 15.283 18.980 1.00 0.63 C ATOM 1215 C VAL A 77 11.671 14.549 20.316 1.00 0.68 C ATOM 1216 O VAL A 77 11.461 15.081 21.392 1.00 0.76 O ATOM 1217 CB VAL A 77 10.234 14.744 18.197 1.00 0.81 C ATOM 1218 CG1 VAL A 77 8.979 14.766 19.093 1.00 0.87 C ATOM 1219 CG2 VAL A 77 10.006 15.677 16.978 1.00 0.82 C ATOM 0 H VAL A 77 12.497 14.616 17.238 1.00 0.55 H new ATOM 0 HA VAL A 77 11.260 16.339 19.176 1.00 0.63 H new ATOM 0 HB VAL A 77 10.419 13.719 17.874 1.00 0.81 H new ATOM 0 HG11 VAL A 77 8.126 14.384 18.533 1.00 0.87 H new ATOM 0 HG12 VAL A 77 9.147 14.141 19.970 1.00 0.87 H new ATOM 0 HG13 VAL A 77 8.776 15.789 19.410 1.00 0.87 H new ATOM 0 HG21 VAL A 77 9.152 15.321 16.402 1.00 0.82 H new ATOM 0 HG22 VAL A 77 9.811 16.691 17.327 1.00 0.82 H new ATOM 0 HG23 VAL A 77 10.895 15.676 16.347 1.00 0.82 H new ATOM 1229 N GLU A 78 12.100 13.322 20.206 1.00 0.70 N ATOM 1230 CA GLU A 78 12.378 12.505 21.420 1.00 0.84 C ATOM 1231 C GLU A 78 13.342 13.346 22.318 1.00 0.74 C ATOM 1232 O GLU A 78 13.137 13.442 23.521 1.00 0.84 O ATOM 1233 CB GLU A 78 12.995 11.159 20.930 1.00 0.88 C ATOM 1234 CG GLU A 78 11.989 9.992 21.210 1.00 0.77 C ATOM 1235 CD GLU A 78 11.675 9.952 22.697 1.00 1.55 C ATOM 1236 OE1 GLU A 78 12.578 9.566 23.418 1.00 3.04 O ATOM 1237 OE2 GLU A 78 10.567 10.323 23.038 1.00 3.07 O ATOM 0 H GLU A 78 12.271 12.847 19.320 1.00 0.70 H new ATOM 0 HA GLU A 78 11.495 12.266 22.013 1.00 0.84 H new ATOM 0 HB2 GLU A 78 13.217 11.215 19.864 1.00 0.88 H new ATOM 0 HB3 GLU A 78 13.939 10.971 21.442 1.00 0.88 H new ATOM 0 HG2 GLU A 78 11.074 10.139 20.636 1.00 0.77 H new ATOM 0 HG3 GLU A 78 12.417 9.042 20.890 1.00 0.77 H new ATOM 1244 N GLU A 79 14.370 13.947 21.744 1.00 0.63 N ATOM 1245 CA GLU A 79 15.332 14.786 22.562 1.00 0.66 C ATOM 1246 C GLU A 79 14.479 15.923 23.191 1.00 0.61 C ATOM 1247 O GLU A 79 14.552 16.210 24.369 1.00 0.92 O ATOM 1248 CB GLU A 79 16.440 15.433 21.654 1.00 0.71 C ATOM 1249 CG GLU A 79 17.447 14.412 21.014 1.00 0.92 C ATOM 1250 CD GLU A 79 18.462 15.156 20.114 1.00 1.10 C ATOM 1251 OE1 GLU A 79 19.217 15.918 20.700 1.00 1.61 O ATOM 1252 OE2 GLU A 79 18.441 14.942 18.910 1.00 2.17 O ATOM 0 H GLU A 79 14.586 13.895 20.749 1.00 0.63 H new ATOM 0 HA GLU A 79 15.833 14.169 23.308 1.00 0.66 H new ATOM 0 HB2 GLU A 79 15.954 15.992 20.854 1.00 0.71 H new ATOM 0 HB3 GLU A 79 17.003 16.152 22.249 1.00 0.71 H new ATOM 0 HG2 GLU A 79 17.975 13.870 21.799 1.00 0.92 H new ATOM 0 HG3 GLU A 79 16.903 13.673 20.427 1.00 0.92 H new ATOM 1259 N LEU A 80 13.682 16.565 22.375 1.00 0.33 N ATOM 1260 CA LEU A 80 12.806 17.672 22.882 1.00 0.29 C ATOM 1261 C LEU A 80 11.984 17.257 24.058 1.00 0.35 C ATOM 1262 O LEU A 80 12.041 17.900 25.082 1.00 0.35 O ATOM 1263 CB LEU A 80 11.869 18.173 21.758 1.00 0.27 C ATOM 1264 CG LEU A 80 12.625 19.138 20.846 1.00 0.56 C ATOM 1265 CD1 LEU A 80 11.709 19.483 19.690 1.00 0.24 C ATOM 1266 CD2 LEU A 80 12.859 20.456 21.596 1.00 1.12 C ATOM 0 H LEU A 80 13.598 16.372 21.377 1.00 0.33 H new ATOM 0 HA LEU A 80 13.470 18.475 23.204 1.00 0.29 H new ATOM 0 HB2 LEU A 80 11.496 17.328 21.179 1.00 0.27 H new ATOM 0 HB3 LEU A 80 11.001 18.671 22.190 1.00 0.27 H new ATOM 0 HG LEU A 80 13.564 18.687 20.526 1.00 0.56 H new ATOM 0 HD11 LEU A 80 12.217 20.173 19.016 1.00 0.24 H new ATOM 0 HD12 LEU A 80 11.448 18.574 19.149 1.00 0.24 H new ATOM 0 HD13 LEU A 80 10.802 19.952 20.072 1.00 0.24 H new ATOM 0 HD21 LEU A 80 13.398 21.150 20.952 1.00 1.12 H new ATOM 0 HD22 LEU A 80 11.899 20.891 21.876 1.00 1.12 H new ATOM 0 HD23 LEU A 80 13.446 20.264 22.494 1.00 1.12 H new ATOM 1278 N LYS A 81 11.234 16.224 23.919 1.00 0.48 N ATOM 1279 CA LYS A 81 10.402 15.768 25.072 1.00 0.63 C ATOM 1280 C LYS A 81 11.316 15.542 26.262 1.00 0.68 C ATOM 1281 O LYS A 81 10.948 15.848 27.376 1.00 0.71 O ATOM 1282 CB LYS A 81 9.691 14.522 24.621 1.00 0.86 C ATOM 1283 CG LYS A 81 8.872 13.905 25.768 1.00 1.04 C ATOM 1284 CD LYS A 81 8.210 12.598 25.235 1.00 1.57 C ATOM 1285 CE LYS A 81 7.679 11.763 26.391 1.00 3.47 C ATOM 1286 NZ LYS A 81 8.857 11.452 27.261 1.00 5.45 N ATOM 0 H LYS A 81 11.150 15.668 23.068 1.00 0.48 H new ATOM 0 HA LYS A 81 9.656 16.498 25.385 1.00 0.63 H new ATOM 0 HB2 LYS A 81 9.032 14.758 23.786 1.00 0.86 H new ATOM 0 HB3 LYS A 81 10.418 13.796 24.258 1.00 0.86 H new ATOM 0 HG2 LYS A 81 9.514 13.687 26.621 1.00 1.04 H new ATOM 0 HG3 LYS A 81 8.111 14.605 26.113 1.00 1.04 H new ATOM 0 HD2 LYS A 81 7.396 12.847 24.554 1.00 1.57 H new ATOM 0 HD3 LYS A 81 8.938 12.020 24.665 1.00 1.57 H new ATOM 0 HE2 LYS A 81 6.918 12.310 26.948 1.00 3.47 H new ATOM 0 HE3 LYS A 81 7.212 10.848 26.027 1.00 3.47 H new ATOM 0 HZ1 LYS A 81 8.732 10.514 27.693 1.00 5.45 H new ATOM 0 HZ2 LYS A 81 9.724 11.455 26.686 1.00 5.45 H new ATOM 0 HZ3 LYS A 81 8.935 12.170 28.009 1.00 5.45 H new ATOM 1300 N LYS A 82 12.484 15.006 26.029 1.00 0.75 N ATOM 1301 CA LYS A 82 13.373 14.815 27.226 1.00 0.93 C ATOM 1302 C LYS A 82 13.726 16.228 27.790 1.00 0.91 C ATOM 1303 O LYS A 82 13.631 16.463 28.973 1.00 1.02 O ATOM 1304 CB LYS A 82 14.649 14.075 26.803 1.00 1.02 C ATOM 1305 CG LYS A 82 14.310 12.647 26.341 1.00 0.94 C ATOM 1306 CD LYS A 82 15.656 11.991 25.957 1.00 2.94 C ATOM 1307 CE LYS A 82 15.476 10.684 25.200 1.00 3.27 C ATOM 1308 NZ LYS A 82 14.971 10.988 23.830 1.00 3.68 N ATOM 0 H LYS A 82 12.851 14.707 25.125 1.00 0.75 H new ATOM 0 HA LYS A 82 12.871 14.223 27.991 1.00 0.93 H new ATOM 0 HB2 LYS A 82 15.142 14.618 25.997 1.00 1.02 H new ATOM 0 HB3 LYS A 82 15.350 14.038 27.637 1.00 1.02 H new ATOM 0 HG2 LYS A 82 13.816 12.087 27.135 1.00 0.94 H new ATOM 0 HG3 LYS A 82 13.628 12.664 25.491 1.00 0.94 H new ATOM 0 HD2 LYS A 82 16.232 12.685 25.345 1.00 2.94 H new ATOM 0 HD3 LYS A 82 16.236 11.806 26.861 1.00 2.94 H new ATOM 0 HE2 LYS A 82 16.423 10.147 25.143 1.00 3.27 H new ATOM 0 HE3 LYS A 82 14.774 10.037 25.726 1.00 3.27 H new ATOM 0 HZ1 LYS A 82 13.983 10.673 23.746 1.00 3.68 H new ATOM 0 HZ2 LYS A 82 15.023 12.013 23.660 1.00 3.68 H new ATOM 0 HZ3 LYS A 82 15.554 10.490 23.127 1.00 3.68 H new ATOM 1322 N LYS A 83 14.131 17.120 26.922 1.00 0.86 N ATOM 1323 CA LYS A 83 14.520 18.542 27.229 1.00 0.91 C ATOM 1324 C LYS A 83 13.507 19.404 27.971 1.00 0.87 C ATOM 1325 O LYS A 83 13.761 19.941 29.029 1.00 0.97 O ATOM 1326 CB LYS A 83 14.847 19.259 25.898 1.00 0.95 C ATOM 1327 CG LYS A 83 15.388 20.713 26.107 1.00 1.13 C ATOM 1328 CD LYS A 83 16.773 20.692 26.802 1.00 2.44 C ATOM 1329 CE LYS A 83 17.776 19.984 25.885 1.00 2.35 C ATOM 1330 NZ LYS A 83 19.079 19.873 26.601 1.00 4.73 N ATOM 0 H LYS A 83 14.215 16.902 25.929 1.00 0.86 H new ATOM 0 HA LYS A 83 15.363 18.441 27.912 1.00 0.91 H new ATOM 0 HB2 LYS A 83 15.587 18.677 25.350 1.00 0.95 H new ATOM 0 HB3 LYS A 83 13.949 19.296 25.281 1.00 0.95 H new ATOM 0 HG2 LYS A 83 15.467 21.218 25.144 1.00 1.13 H new ATOM 0 HG3 LYS A 83 14.683 21.285 26.710 1.00 1.13 H new ATOM 0 HD2 LYS A 83 17.106 21.709 27.011 1.00 2.44 H new ATOM 0 HD3 LYS A 83 16.707 20.175 27.759 1.00 2.44 H new ATOM 0 HE2 LYS A 83 17.408 18.995 25.614 1.00 2.35 H new ATOM 0 HE3 LYS A 83 17.900 20.543 24.957 1.00 2.35 H new ATOM 0 HZ1 LYS A 83 19.771 19.394 25.990 1.00 4.73 H new ATOM 0 HZ2 LYS A 83 19.427 20.824 26.838 1.00 4.73 H new ATOM 0 HZ3 LYS A 83 18.949 19.324 27.475 1.00 4.73 H new ATOM 1344 N TYR A 84 12.399 19.473 27.312 1.00 0.71 N ATOM 1345 CA TYR A 84 11.221 20.256 27.776 1.00 0.67 C ATOM 1346 C TYR A 84 10.238 19.448 28.624 1.00 0.86 C ATOM 1347 O TYR A 84 9.481 20.042 29.368 1.00 1.74 O ATOM 1348 CB TYR A 84 10.529 20.814 26.512 1.00 0.78 C ATOM 1349 CG TYR A 84 11.395 21.896 25.836 1.00 0.86 C ATOM 1350 CD1 TYR A 84 11.671 23.074 26.508 1.00 3.05 C ATOM 1351 CD2 TYR A 84 11.897 21.732 24.556 1.00 1.86 C ATOM 1352 CE1 TYR A 84 12.428 24.064 25.914 1.00 3.27 C ATOM 1353 CE2 TYR A 84 12.656 22.732 23.971 1.00 1.63 C ATOM 1354 CZ TYR A 84 12.920 23.896 24.643 1.00 1.21 C ATOM 1355 OH TYR A 84 13.658 24.879 24.022 1.00 1.39 O ATOM 0 H TYR A 84 12.248 18.995 26.423 1.00 0.71 H new ATOM 0 HA TYR A 84 11.565 21.052 28.436 1.00 0.67 H new ATOM 0 HB2 TYR A 84 10.341 20.003 25.809 1.00 0.78 H new ATOM 0 HB3 TYR A 84 9.560 21.235 26.780 1.00 0.78 H new ATOM 0 HD1 TYR A 84 11.290 23.220 27.508 1.00 3.05 H new ATOM 0 HD2 TYR A 84 11.696 20.821 24.012 1.00 1.86 H new ATOM 0 HE1 TYR A 84 12.635 24.977 26.453 1.00 3.27 H new ATOM 0 HE2 TYR A 84 13.044 22.592 22.973 1.00 1.63 H new ATOM 0 HH TYR A 84 14.482 24.491 23.661 1.00 1.39 H new