USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 585 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 56 SER OG : rot -170:sc= 0.31 USER MOD Set 1.2: A 58 LYS NZ :NH3+ 173:sc= 0.00875 (180deg=-0.466) USER MOD Set 2.1: A 26 THR OG1 : rot 56:sc= 2.29 USER MOD Set 2.2: A 27 GLN : amide:sc= 0.903 K(o=3.6,f=1.7) USER MOD Set 2.3: A 44 GLN : amide:sc= 0.37 K(o=3.6,f=-0.33) USER MOD Set 3.1: A 43 SER OG : rot 180:sc= 0.781 USER MOD Set 3.2: A 45 THR OG1 : rot 107:sc= 0.972 USER MOD Single : A 11 GLN : amide:sc= 0.529 K(o=0.53,f=0) USER MOD Single : A 14 LYS NZ :NH3+ -151:sc= 0.524 (180deg=0.00292) USER MOD Single : A 15 THR OG1 : rot 77:sc= 1.23 USER MOD Single : A 17 LYS NZ :NH3+ 130:sc= 0.0196 (180deg=-0.171) USER MOD Single : A 18 GLN : amide:sc= 0.634 K(o=0.63,f=0) USER MOD Single : A 22 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0553) USER MOD Single : A 34 MET CE :methyl 165:sc= -1.39 (180deg=-2.01) USER MOD Single : A 36 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0445) USER MOD Single : A 38 TYR OH : rot 48:sc= 0.842 USER MOD Single : A 40 ASN : amide:sc= 0.738 K(o=0.74,f=-0.095) USER MOD Single : A 46 THR OG1 : rot -161:sc= 1.19 USER MOD Single : A 48 SER OG : rot 70:sc= 1.18 USER MOD Single : A 54 ASN : amide:sc= -0.919 K(o=-0.92,f=-2.6) USER MOD Single : A 59 ASN : amide:sc= -0.449! X(o=-0.45!,f=-0.054) USER MOD Single : A 60 MET CE :methyl 174:sc= -0.364 (180deg=-0.554) USER MOD Single : A 61 CYS SG : rot -19:sc= 0.206 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0172) USER MOD Single : A 72 ASN : amide:sc= -0.386! X(o=-0.39!,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 5 0.978 4.335 1.063 1.00 0.00 N ATOM 2 CA ASP A 5 1.788 4.173 -0.133 1.00 0.00 C ATOM 3 C ASP A 5 3.267 4.359 0.197 1.00 0.00 C ATOM 4 O ASP A 5 4.107 3.529 -0.154 1.00 0.00 O ATOM 5 CB ASP A 5 1.342 5.186 -1.194 1.00 0.00 C ATOM 6 CG ASP A 5 2.276 5.172 -2.401 1.00 0.00 C ATOM 7 OD1 ASP A 5 2.033 4.340 -3.300 1.00 0.00 O ATOM 8 OD2 ASP A 5 3.221 5.992 -2.398 1.00 0.00 O ATOM 0 HA ASP A 5 1.652 3.165 -0.524 1.00 0.00 H new ATOM 0 HB2 ASP A 5 0.326 4.956 -1.515 1.00 0.00 H new ATOM 0 HB3 ASP A 5 1.321 6.185 -0.759 1.00 0.00 H new ATOM 15 N LEU A 6 3.599 5.459 0.879 1.00 0.00 N ATOM 16 CA LEU A 6 4.976 5.867 1.062 1.00 0.00 C ATOM 17 C LEU A 6 5.776 4.891 1.931 1.00 0.00 C ATOM 18 O LEU A 6 6.990 5.016 2.015 1.00 0.00 O ATOM 19 CB LEU A 6 5.062 7.334 1.506 1.00 0.00 C ATOM 20 CG LEU A 6 4.835 7.541 3.006 1.00 0.00 C ATOM 21 CD1 LEU A 6 5.156 8.993 3.374 1.00 0.00 C ATOM 22 CD2 LEU A 6 3.410 7.201 3.461 1.00 0.00 C ATOM 0 H LEU A 6 2.918 6.082 1.314 1.00 0.00 H new ATOM 0 HA LEU A 6 5.471 5.818 0.092 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.043 7.728 1.239 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.324 7.915 0.953 1.00 0.00 H new ATOM 0 HG LEU A 6 5.502 6.851 3.523 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.995 9.142 4.442 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.196 9.209 3.131 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.506 9.663 2.812 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.320 7.371 4.534 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.698 7.835 2.933 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.197 6.155 3.240 1.00 0.00 H new ATOM 34 N GLU A 7 5.141 3.895 2.555 1.00 0.00 N ATOM 35 CA GLU A 7 5.860 2.796 3.183 1.00 0.00 C ATOM 36 C GLU A 7 6.800 2.147 2.158 1.00 0.00 C ATOM 37 O GLU A 7 7.911 1.730 2.494 1.00 0.00 O ATOM 38 CB GLU A 7 4.881 1.755 3.747 1.00 0.00 C ATOM 39 CG GLU A 7 3.911 2.335 4.791 1.00 0.00 C ATOM 40 CD GLU A 7 2.545 2.693 4.209 1.00 0.00 C ATOM 41 OE1 GLU A 7 2.523 3.450 3.214 1.00 0.00 O ATOM 42 OE2 GLU A 7 1.541 2.197 4.763 1.00 0.00 O ATOM 0 H GLU A 7 4.126 3.832 2.636 1.00 0.00 H new ATOM 0 HA GLU A 7 6.448 3.188 4.013 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.306 1.325 2.927 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.448 0.942 4.200 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.778 1.611 5.595 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.355 3.226 5.234 1.00 0.00 H new ATOM 49 N GLU A 8 6.360 2.057 0.898 1.00 0.00 N ATOM 50 CA GLU A 8 7.168 1.536 -0.195 1.00 0.00 C ATOM 51 C GLU A 8 8.405 2.418 -0.390 1.00 0.00 C ATOM 52 O GLU A 8 9.530 1.923 -0.445 1.00 0.00 O ATOM 53 CB GLU A 8 6.323 1.481 -1.474 1.00 0.00 C ATOM 54 CG GLU A 8 5.103 0.559 -1.328 1.00 0.00 C ATOM 55 CD GLU A 8 4.222 0.600 -2.573 1.00 0.00 C ATOM 56 OE1 GLU A 8 4.796 0.486 -3.678 1.00 0.00 O ATOM 57 OE2 GLU A 8 2.993 0.744 -2.397 1.00 0.00 O ATOM 0 H GLU A 8 5.425 2.348 0.613 1.00 0.00 H new ATOM 0 HA GLU A 8 7.504 0.526 0.041 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.987 2.486 -1.728 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.942 1.133 -2.301 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.437 -0.463 -1.150 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.520 0.860 -0.458 1.00 0.00 H new ATOM 64 N LEU A 9 8.185 3.733 -0.485 1.00 0.00 N ATOM 65 CA LEU A 9 9.235 4.737 -0.579 1.00 0.00 C ATOM 66 C LEU A 9 10.189 4.597 0.607 1.00 0.00 C ATOM 67 O LEU A 9 11.398 4.662 0.421 1.00 0.00 O ATOM 68 CB LEU A 9 8.600 6.141 -0.603 1.00 0.00 C ATOM 69 CG LEU A 9 7.925 6.545 -1.929 1.00 0.00 C ATOM 70 CD1 LEU A 9 8.976 7.023 -2.934 1.00 0.00 C ATOM 71 CD2 LEU A 9 7.050 5.472 -2.591 1.00 0.00 C ATOM 0 H LEU A 9 7.247 4.133 -0.499 1.00 0.00 H new ATOM 0 HA LEU A 9 9.802 4.592 -1.498 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.858 6.198 0.194 1.00 0.00 H new ATOM 0 HB3 LEU A 9 9.373 6.874 -0.372 1.00 0.00 H new ATOM 0 HG LEU A 9 7.241 7.346 -1.648 1.00 0.00 H new ATOM 0 HD11 LEU A 9 8.486 7.305 -3.866 1.00 0.00 H new ATOM 0 HD12 LEU A 9 9.504 7.885 -2.526 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.687 6.220 -3.127 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.627 5.866 -3.515 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.657 4.595 -2.815 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.243 5.192 -1.914 1.00 0.00 H new ATOM 83 N GLU A 10 9.661 4.400 1.818 1.00 0.00 N ATOM 84 CA GLU A 10 10.448 4.332 3.036 1.00 0.00 C ATOM 85 C GLU A 10 11.374 3.125 2.973 1.00 0.00 C ATOM 86 O GLU A 10 12.590 3.273 3.088 1.00 0.00 O ATOM 87 CB GLU A 10 9.530 4.399 4.275 1.00 0.00 C ATOM 88 CG GLU A 10 9.667 3.263 5.294 1.00 0.00 C ATOM 89 CD GLU A 10 8.786 3.516 6.512 1.00 0.00 C ATOM 90 OE1 GLU A 10 7.609 3.097 6.458 1.00 0.00 O ATOM 91 OE2 GLU A 10 9.303 4.135 7.467 1.00 0.00 O ATOM 0 H GLU A 10 8.660 4.282 1.974 1.00 0.00 H new ATOM 0 HA GLU A 10 11.101 5.200 3.132 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.719 5.342 4.788 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.496 4.425 3.931 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.389 2.317 4.829 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.708 3.172 5.605 1.00 0.00 H new ATOM 98 N GLN A 11 10.793 1.944 2.755 1.00 0.00 N ATOM 99 CA GLN A 11 11.551 0.709 2.623 1.00 0.00 C ATOM 100 C GLN A 11 12.614 0.882 1.541 1.00 0.00 C ATOM 101 O GLN A 11 13.803 0.715 1.804 1.00 0.00 O ATOM 102 CB GLN A 11 10.602 -0.449 2.300 1.00 0.00 C ATOM 103 CG GLN A 11 9.780 -0.844 3.534 1.00 0.00 C ATOM 104 CD GLN A 11 8.592 -1.715 3.147 1.00 0.00 C ATOM 105 OE1 GLN A 11 8.578 -2.916 3.388 1.00 0.00 O ATOM 106 NE2 GLN A 11 7.585 -1.102 2.537 1.00 0.00 N ATOM 0 H GLN A 11 9.784 1.822 2.666 1.00 0.00 H new ATOM 0 HA GLN A 11 12.054 0.476 3.561 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.933 -0.161 1.489 1.00 0.00 H new ATOM 0 HB3 GLN A 11 11.175 -1.307 1.950 1.00 0.00 H new ATOM 0 HG2 GLN A 11 10.414 -1.381 4.240 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.427 0.053 4.042 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.634 -0.100 2.354 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.762 -1.633 2.252 1.00 0.00 H new ATOM 115 N PHE A 12 12.187 1.251 0.331 1.00 0.00 N ATOM 116 CA PHE A 12 13.080 1.464 -0.798 1.00 0.00 C ATOM 117 C PHE A 12 14.238 2.396 -0.415 1.00 0.00 C ATOM 118 O PHE A 12 15.406 2.049 -0.579 1.00 0.00 O ATOM 119 CB PHE A 12 12.275 2.007 -1.984 1.00 0.00 C ATOM 120 CG PHE A 12 13.143 2.406 -3.156 1.00 0.00 C ATOM 121 CD1 PHE A 12 13.630 1.424 -4.040 1.00 0.00 C ATOM 122 CD2 PHE A 12 13.647 3.716 -3.218 1.00 0.00 C ATOM 123 CE1 PHE A 12 14.620 1.755 -4.983 1.00 0.00 C ATOM 124 CE2 PHE A 12 14.707 4.017 -4.092 1.00 0.00 C ATOM 125 CZ PHE A 12 15.172 3.046 -4.996 1.00 0.00 C ATOM 0 H PHE A 12 11.204 1.410 0.111 1.00 0.00 H new ATOM 0 HA PHE A 12 13.528 0.515 -1.091 1.00 0.00 H new ATOM 0 HB2 PHE A 12 11.562 1.249 -2.309 1.00 0.00 H new ATOM 0 HB3 PHE A 12 11.696 2.871 -1.658 1.00 0.00 H new ATOM 0 HD1 PHE A 12 13.243 0.417 -3.994 1.00 0.00 H new ATOM 0 HD2 PHE A 12 13.222 4.490 -2.596 1.00 0.00 H new ATOM 0 HE1 PHE A 12 14.955 1.017 -5.696 1.00 0.00 H new ATOM 0 HE2 PHE A 12 15.164 4.995 -4.069 1.00 0.00 H new ATOM 0 HZ PHE A 12 15.953 3.293 -5.700 1.00 0.00 H new ATOM 135 N ALA A 13 13.925 3.578 0.111 1.00 0.00 N ATOM 136 CA ALA A 13 14.920 4.582 0.444 1.00 0.00 C ATOM 137 C ALA A 13 15.897 4.041 1.489 1.00 0.00 C ATOM 138 O ALA A 13 17.107 4.088 1.285 1.00 0.00 O ATOM 139 CB ALA A 13 14.232 5.874 0.893 1.00 0.00 C ATOM 0 H ALA A 13 12.968 3.863 0.317 1.00 0.00 H new ATOM 0 HA ALA A 13 15.508 4.821 -0.442 1.00 0.00 H new ATOM 0 HB1 ALA A 13 14.986 6.621 1.141 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.601 6.249 0.087 1.00 0.00 H new ATOM 0 HB3 ALA A 13 13.618 5.673 1.771 1.00 0.00 H new ATOM 145 N LYS A 14 15.391 3.476 2.590 1.00 0.00 N ATOM 146 CA LYS A 14 16.245 2.868 3.608 1.00 0.00 C ATOM 147 C LYS A 14 17.061 1.703 3.031 1.00 0.00 C ATOM 148 O LYS A 14 18.148 1.394 3.523 1.00 0.00 O ATOM 149 CB LYS A 14 15.415 2.419 4.825 1.00 0.00 C ATOM 150 CG LYS A 14 15.876 3.082 6.130 1.00 0.00 C ATOM 151 CD LYS A 14 15.632 4.599 6.221 1.00 0.00 C ATOM 152 CE LYS A 14 14.147 4.990 6.259 1.00 0.00 C ATOM 153 NZ LYS A 14 13.600 5.267 4.918 1.00 0.00 N ATOM 0 H LYS A 14 14.393 3.429 2.796 1.00 0.00 H new ATOM 0 HA LYS A 14 16.952 3.626 3.945 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.365 2.657 4.652 1.00 0.00 H new ATOM 0 HB3 LYS A 14 15.484 1.336 4.928 1.00 0.00 H new ATOM 0 HG2 LYS A 14 15.366 2.598 6.963 1.00 0.00 H new ATOM 0 HG3 LYS A 14 16.942 2.894 6.256 1.00 0.00 H new ATOM 0 HD2 LYS A 14 16.122 4.983 7.116 1.00 0.00 H new ATOM 0 HD3 LYS A 14 16.104 5.085 5.367 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.575 4.186 6.722 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.023 5.872 6.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.827 5.959 4.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 14.351 5.652 4.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.236 4.386 4.503 1.00 0.00 H new ATOM 167 N THR A 15 16.552 1.034 1.999 1.00 0.00 N ATOM 168 CA THR A 15 17.293 -0.031 1.327 1.00 0.00 C ATOM 169 C THR A 15 18.439 0.596 0.541 1.00 0.00 C ATOM 170 O THR A 15 19.575 0.136 0.630 1.00 0.00 O ATOM 171 CB THR A 15 16.379 -0.912 0.466 1.00 0.00 C ATOM 172 OG1 THR A 15 15.364 -1.456 1.279 1.00 0.00 O ATOM 173 CG2 THR A 15 17.147 -2.080 -0.161 1.00 0.00 C ATOM 0 H THR A 15 15.626 1.211 1.609 1.00 0.00 H new ATOM 0 HA THR A 15 17.715 -0.710 2.068 1.00 0.00 H new ATOM 0 HB THR A 15 15.969 -0.287 -0.327 1.00 0.00 H new ATOM 0 HG1 THR A 15 14.684 -0.773 1.454 1.00 0.00 H new ATOM 0 HG21 THR A 15 16.466 -2.681 -0.763 1.00 0.00 H new ATOM 0 HG22 THR A 15 17.946 -1.693 -0.794 1.00 0.00 H new ATOM 0 HG23 THR A 15 17.576 -2.698 0.627 1.00 0.00 H new ATOM 181 N PHE A 16 18.158 1.677 -0.189 1.00 0.00 N ATOM 182 CA PHE A 16 19.181 2.453 -0.870 1.00 0.00 C ATOM 183 C PHE A 16 20.256 2.902 0.131 1.00 0.00 C ATOM 184 O PHE A 16 21.449 2.757 -0.125 1.00 0.00 O ATOM 185 CB PHE A 16 18.532 3.611 -1.645 1.00 0.00 C ATOM 186 CG PHE A 16 19.475 4.253 -2.638 1.00 0.00 C ATOM 187 CD1 PHE A 16 20.336 5.297 -2.247 1.00 0.00 C ATOM 188 CD2 PHE A 16 19.522 3.764 -3.954 1.00 0.00 C ATOM 189 CE1 PHE A 16 21.226 5.859 -3.180 1.00 0.00 C ATOM 190 CE2 PHE A 16 20.412 4.325 -4.881 1.00 0.00 C ATOM 191 CZ PHE A 16 21.282 5.356 -4.492 1.00 0.00 C ATOM 0 H PHE A 16 17.212 2.035 -0.321 1.00 0.00 H new ATOM 0 HA PHE A 16 19.693 1.838 -1.610 1.00 0.00 H new ATOM 0 HB2 PHE A 16 17.653 3.241 -2.173 1.00 0.00 H new ATOM 0 HB3 PHE A 16 18.186 4.366 -0.939 1.00 0.00 H new ATOM 0 HD1 PHE A 16 20.313 5.665 -1.232 1.00 0.00 H new ATOM 0 HD2 PHE A 16 18.872 2.955 -4.252 1.00 0.00 H new ATOM 0 HE1 PHE A 16 21.867 6.678 -2.888 1.00 0.00 H new ATOM 0 HE2 PHE A 16 20.428 3.963 -5.898 1.00 0.00 H new ATOM 0 HZ PHE A 16 21.992 5.761 -5.198 1.00 0.00 H new ATOM 201 N LYS A 17 19.837 3.384 1.306 1.00 0.00 N ATOM 202 CA LYS A 17 20.751 3.725 2.388 1.00 0.00 C ATOM 203 C LYS A 17 21.624 2.525 2.758 1.00 0.00 C ATOM 204 O LYS A 17 22.846 2.632 2.779 1.00 0.00 O ATOM 205 CB LYS A 17 19.976 4.232 3.611 1.00 0.00 C ATOM 206 CG LYS A 17 20.896 4.996 4.569 1.00 0.00 C ATOM 207 CD LYS A 17 20.071 5.603 5.710 1.00 0.00 C ATOM 208 CE LYS A 17 20.938 6.434 6.663 1.00 0.00 C ATOM 209 NZ LYS A 17 21.529 7.602 5.985 1.00 0.00 N ATOM 0 H LYS A 17 18.855 3.547 1.528 1.00 0.00 H new ATOM 0 HA LYS A 17 21.405 4.526 2.043 1.00 0.00 H new ATOM 0 HB2 LYS A 17 19.163 4.882 3.287 1.00 0.00 H new ATOM 0 HB3 LYS A 17 19.522 3.390 4.132 1.00 0.00 H new ATOM 0 HG2 LYS A 17 21.653 4.324 4.973 1.00 0.00 H new ATOM 0 HG3 LYS A 17 21.423 5.784 4.031 1.00 0.00 H new ATOM 0 HD2 LYS A 17 19.284 6.232 5.294 1.00 0.00 H new ATOM 0 HD3 LYS A 17 19.581 4.805 6.268 1.00 0.00 H new ATOM 0 HE2 LYS A 17 20.333 6.770 7.505 1.00 0.00 H new ATOM 0 HE3 LYS A 17 21.733 5.809 7.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 21.351 8.457 6.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 22.554 7.462 5.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 21.099 7.712 5.045 1.00 0.00 H new ATOM 223 N GLN A 18 21.009 1.380 3.062 1.00 0.00 N ATOM 224 CA GLN A 18 21.752 0.176 3.409 1.00 0.00 C ATOM 225 C GLN A 18 22.758 -0.184 2.311 1.00 0.00 C ATOM 226 O GLN A 18 23.920 -0.445 2.616 1.00 0.00 O ATOM 227 CB GLN A 18 20.788 -0.972 3.718 1.00 0.00 C ATOM 228 CG GLN A 18 20.152 -0.766 5.099 1.00 0.00 C ATOM 229 CD GLN A 18 18.912 -1.631 5.270 1.00 0.00 C ATOM 230 OE1 GLN A 18 18.967 -2.712 5.846 1.00 0.00 O ATOM 231 NE2 GLN A 18 17.783 -1.154 4.763 1.00 0.00 N ATOM 0 H GLN A 18 19.995 1.266 3.074 1.00 0.00 H new ATOM 0 HA GLN A 18 22.332 0.366 4.312 1.00 0.00 H new ATOM 0 HB2 GLN A 18 20.012 -1.021 2.955 1.00 0.00 H new ATOM 0 HB3 GLN A 18 21.321 -1.922 3.692 1.00 0.00 H new ATOM 0 HG2 GLN A 18 20.877 -1.008 5.876 1.00 0.00 H new ATOM 0 HG3 GLN A 18 19.887 0.283 5.227 1.00 0.00 H new ATOM 0 HE21 GLN A 18 17.778 -0.250 4.291 1.00 0.00 H new ATOM 0 HE22 GLN A 18 16.920 -1.691 4.845 1.00 0.00 H new ATOM 240 N ARG A 19 22.341 -0.162 1.040 1.00 0.00 N ATOM 241 CA ARG A 19 23.266 -0.351 -0.070 1.00 0.00 C ATOM 242 C ARG A 19 24.432 0.632 0.038 1.00 0.00 C ATOM 243 O ARG A 19 25.583 0.208 -0.013 1.00 0.00 O ATOM 244 CB ARG A 19 22.568 -0.224 -1.433 1.00 0.00 C ATOM 245 CG ARG A 19 21.590 -1.363 -1.753 1.00 0.00 C ATOM 246 CD ARG A 19 22.258 -2.743 -1.725 1.00 0.00 C ATOM 247 NE ARG A 19 21.494 -3.719 -2.517 1.00 0.00 N ATOM 248 CZ ARG A 19 21.660 -3.949 -3.829 1.00 0.00 C ATOM 249 NH1 ARG A 19 22.567 -3.274 -4.540 1.00 0.00 N ATOM 250 NH2 ARG A 19 20.912 -4.864 -4.452 1.00 0.00 N ATOM 0 H ARG A 19 21.371 -0.015 0.761 1.00 0.00 H new ATOM 0 HA ARG A 19 23.654 -1.368 -0.005 1.00 0.00 H new ATOM 0 HB2 ARG A 19 22.028 0.722 -1.464 1.00 0.00 H new ATOM 0 HB3 ARG A 19 23.327 -0.183 -2.214 1.00 0.00 H new ATOM 0 HG2 ARG A 19 20.771 -1.346 -1.034 1.00 0.00 H new ATOM 0 HG3 ARG A 19 21.153 -1.195 -2.738 1.00 0.00 H new ATOM 0 HD2 ARG A 19 23.272 -2.667 -2.117 1.00 0.00 H new ATOM 0 HD3 ARG A 19 22.339 -3.090 -0.695 1.00 0.00 H new ATOM 0 HE ARG A 19 20.782 -4.264 -2.031 1.00 0.00 H new ATOM 0 HH11 ARG A 19 23.149 -2.569 -4.087 1.00 0.00 H new ATOM 0 HH12 ARG A 19 22.678 -3.463 -5.536 1.00 0.00 H new ATOM 0 HH21 ARG A 19 20.211 -5.391 -3.931 1.00 0.00 H new ATOM 0 HH22 ARG A 19 21.041 -5.036 -5.449 1.00 0.00 H new ATOM 264 N ARG A 20 24.160 1.930 0.216 1.00 0.00 N ATOM 265 CA ARG A 20 25.235 2.898 0.396 1.00 0.00 C ATOM 266 C ARG A 20 26.166 2.500 1.538 1.00 0.00 C ATOM 267 O ARG A 20 27.379 2.529 1.359 1.00 0.00 O ATOM 268 CB ARG A 20 24.721 4.323 0.623 1.00 0.00 C ATOM 269 CG ARG A 20 24.196 4.968 -0.660 1.00 0.00 C ATOM 270 CD ARG A 20 23.982 6.473 -0.463 1.00 0.00 C ATOM 271 NE ARG A 20 23.223 6.789 0.759 1.00 0.00 N ATOM 272 CZ ARG A 20 23.720 7.417 1.837 1.00 0.00 C ATOM 273 NH1 ARG A 20 25.043 7.582 1.999 1.00 0.00 N ATOM 274 NH2 ARG A 20 22.874 7.891 2.759 1.00 0.00 N ATOM 0 H ARG A 20 23.220 2.324 0.238 1.00 0.00 H new ATOM 0 HA ARG A 20 25.795 2.891 -0.539 1.00 0.00 H new ATOM 0 HB2 ARG A 20 23.926 4.304 1.368 1.00 0.00 H new ATOM 0 HB3 ARG A 20 25.525 4.935 1.031 1.00 0.00 H new ATOM 0 HG2 ARG A 20 24.903 4.800 -1.473 1.00 0.00 H new ATOM 0 HG3 ARG A 20 23.257 4.497 -0.951 1.00 0.00 H new ATOM 0 HD2 ARG A 20 24.951 6.970 -0.421 1.00 0.00 H new ATOM 0 HD3 ARG A 20 23.454 6.876 -1.327 1.00 0.00 H new ATOM 0 HE ARG A 20 22.243 6.509 0.789 1.00 0.00 H new ATOM 0 HH11 ARG A 20 25.691 7.227 1.296 1.00 0.00 H new ATOM 0 HH12 ARG A 20 25.400 8.062 2.825 1.00 0.00 H new ATOM 0 HH21 ARG A 20 21.868 7.773 2.637 1.00 0.00 H new ATOM 0 HH22 ARG A 20 23.235 8.370 3.584 1.00 0.00 H new ATOM 288 N ILE A 21 25.623 2.139 2.704 1.00 0.00 N ATOM 289 CA ILE A 21 26.440 1.714 3.835 1.00 0.00 C ATOM 290 C ILE A 21 27.344 0.552 3.412 1.00 0.00 C ATOM 291 O ILE A 21 28.561 0.652 3.547 1.00 0.00 O ATOM 292 CB ILE A 21 25.566 1.381 5.062 1.00 0.00 C ATOM 293 CG1 ILE A 21 24.793 2.603 5.596 1.00 0.00 C ATOM 294 CG2 ILE A 21 26.400 0.752 6.189 1.00 0.00 C ATOM 295 CD1 ILE A 21 25.663 3.713 6.199 1.00 0.00 C ATOM 0 H ILE A 21 24.619 2.134 2.886 1.00 0.00 H new ATOM 0 HA ILE A 21 27.086 2.536 4.143 1.00 0.00 H new ATOM 0 HB ILE A 21 24.830 0.655 4.717 1.00 0.00 H new ATOM 0 HG12 ILE A 21 24.206 3.026 4.781 1.00 0.00 H new ATOM 0 HG13 ILE A 21 24.088 2.264 6.355 1.00 0.00 H new ATOM 0 HG21 ILE A 21 25.754 0.529 7.039 1.00 0.00 H new ATOM 0 HG22 ILE A 21 26.859 -0.169 5.831 1.00 0.00 H new ATOM 0 HG23 ILE A 21 27.179 1.449 6.498 1.00 0.00 H new ATOM 0 HD11 ILE A 21 25.026 4.527 6.545 1.00 0.00 H new ATOM 0 HD12 ILE A 21 26.231 3.314 7.039 1.00 0.00 H new ATOM 0 HD13 ILE A 21 26.351 4.088 5.441 1.00 0.00 H new ATOM 307 N LYS A 22 26.770 -0.527 2.871 1.00 0.00 N ATOM 308 CA LYS A 22 27.546 -1.685 2.431 1.00 0.00 C ATOM 309 C LYS A 22 28.631 -1.275 1.426 1.00 0.00 C ATOM 310 O LYS A 22 29.766 -1.738 1.515 1.00 0.00 O ATOM 311 CB LYS A 22 26.628 -2.769 1.839 1.00 0.00 C ATOM 312 CG LYS A 22 26.075 -3.752 2.885 1.00 0.00 C ATOM 313 CD LYS A 22 25.015 -3.132 3.804 1.00 0.00 C ATOM 314 CE LYS A 22 24.552 -4.110 4.891 1.00 0.00 C ATOM 315 NZ LYS A 22 23.887 -5.296 4.322 1.00 0.00 N ATOM 0 H LYS A 22 25.764 -0.620 2.728 1.00 0.00 H new ATOM 0 HA LYS A 22 28.044 -2.105 3.305 1.00 0.00 H new ATOM 0 HB2 LYS A 22 25.793 -2.287 1.330 1.00 0.00 H new ATOM 0 HB3 LYS A 22 27.181 -3.329 1.085 1.00 0.00 H new ATOM 0 HG2 LYS A 22 25.643 -4.611 2.372 1.00 0.00 H new ATOM 0 HG3 LYS A 22 26.899 -4.125 3.493 1.00 0.00 H new ATOM 0 HD2 LYS A 22 25.421 -2.236 4.272 1.00 0.00 H new ATOM 0 HD3 LYS A 22 24.157 -2.820 3.208 1.00 0.00 H new ATOM 0 HE2 LYS A 22 25.411 -4.426 5.484 1.00 0.00 H new ATOM 0 HE3 LYS A 22 23.867 -3.601 5.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 23.486 -5.871 5.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 23.125 -4.993 3.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 24.580 -5.862 3.792 1.00 0.00 H new ATOM 329 N LEU A 23 28.285 -0.416 0.466 1.00 0.00 N ATOM 330 CA LEU A 23 29.205 0.045 -0.567 1.00 0.00 C ATOM 331 C LEU A 23 30.200 1.091 -0.037 1.00 0.00 C ATOM 332 O LEU A 23 31.179 1.398 -0.712 1.00 0.00 O ATOM 333 CB LEU A 23 28.403 0.603 -1.752 1.00 0.00 C ATOM 334 CG LEU A 23 27.527 -0.446 -2.461 1.00 0.00 C ATOM 335 CD1 LEU A 23 26.512 0.256 -3.368 1.00 0.00 C ATOM 336 CD2 LEU A 23 28.373 -1.409 -3.305 1.00 0.00 C ATOM 0 H LEU A 23 27.349 -0.019 0.386 1.00 0.00 H new ATOM 0 HA LEU A 23 29.798 -0.808 -0.897 1.00 0.00 H new ATOM 0 HB2 LEU A 23 27.767 1.414 -1.398 1.00 0.00 H new ATOM 0 HB3 LEU A 23 29.095 1.034 -2.476 1.00 0.00 H new ATOM 0 HG LEU A 23 27.012 -1.023 -1.693 1.00 0.00 H new ATOM 0 HD11 LEU A 23 25.894 -0.490 -3.868 1.00 0.00 H new ATOM 0 HD12 LEU A 23 25.878 0.909 -2.768 1.00 0.00 H new ATOM 0 HD13 LEU A 23 27.040 0.849 -4.115 1.00 0.00 H new ATOM 0 HD21 LEU A 23 27.722 -2.135 -3.791 1.00 0.00 H new ATOM 0 HD22 LEU A 23 28.918 -0.846 -4.063 1.00 0.00 H new ATOM 0 HD23 LEU A 23 29.082 -1.930 -2.661 1.00 0.00 H new ATOM 348 N GLY A 24 29.955 1.666 1.146 1.00 0.00 N ATOM 349 CA GLY A 24 30.743 2.768 1.678 1.00 0.00 C ATOM 350 C GLY A 24 30.551 4.034 0.839 1.00 0.00 C ATOM 351 O GLY A 24 31.480 4.819 0.661 1.00 0.00 O ATOM 0 H GLY A 24 29.196 1.372 1.761 1.00 0.00 H new ATOM 0 HA2 GLY A 24 30.451 2.963 2.710 1.00 0.00 H new ATOM 0 HA3 GLY A 24 31.798 2.493 1.691 1.00 0.00 H new ATOM 355 N PHE A 25 29.342 4.241 0.313 1.00 0.00 N ATOM 356 CA PHE A 25 29.024 5.358 -0.563 1.00 0.00 C ATOM 357 C PHE A 25 28.546 6.551 0.258 1.00 0.00 C ATOM 358 O PHE A 25 27.360 6.706 0.562 1.00 0.00 O ATOM 359 CB PHE A 25 28.065 4.924 -1.670 1.00 0.00 C ATOM 360 CG PHE A 25 28.668 4.072 -2.781 1.00 0.00 C ATOM 361 CD1 PHE A 25 30.016 3.649 -2.754 1.00 0.00 C ATOM 362 CD2 PHE A 25 27.881 3.779 -3.911 1.00 0.00 C ATOM 363 CE1 PHE A 25 30.563 2.947 -3.841 1.00 0.00 C ATOM 364 CE2 PHE A 25 28.437 3.094 -5.007 1.00 0.00 C ATOM 365 CZ PHE A 25 29.776 2.671 -4.970 1.00 0.00 C ATOM 0 H PHE A 25 28.548 3.625 0.490 1.00 0.00 H new ATOM 0 HA PHE A 25 29.923 5.693 -1.080 1.00 0.00 H new ATOM 0 HB2 PHE A 25 27.246 4.367 -1.216 1.00 0.00 H new ATOM 0 HB3 PHE A 25 27.632 5.818 -2.119 1.00 0.00 H new ATOM 0 HD1 PHE A 25 30.630 3.867 -1.892 1.00 0.00 H new ATOM 0 HD2 PHE A 25 26.845 4.082 -3.937 1.00 0.00 H new ATOM 0 HE1 PHE A 25 31.591 2.619 -3.808 1.00 0.00 H new ATOM 0 HE2 PHE A 25 27.833 2.893 -5.879 1.00 0.00 H new ATOM 0 HZ PHE A 25 30.198 2.135 -5.807 1.00 0.00 H new ATOM 375 N THR A 26 29.520 7.392 0.598 1.00 0.00 N ATOM 376 CA THR A 26 29.393 8.612 1.370 1.00 0.00 C ATOM 377 C THR A 26 29.990 9.760 0.543 1.00 0.00 C ATOM 378 O THR A 26 30.311 9.580 -0.637 1.00 0.00 O ATOM 379 CB THR A 26 30.073 8.391 2.741 1.00 0.00 C ATOM 380 OG1 THR A 26 30.130 9.580 3.509 1.00 0.00 O ATOM 381 CG2 THR A 26 31.486 7.813 2.610 1.00 0.00 C ATOM 0 H THR A 26 30.486 7.220 0.318 1.00 0.00 H new ATOM 0 HA THR A 26 28.357 8.880 1.579 1.00 0.00 H new ATOM 0 HB THR A 26 29.445 7.665 3.257 1.00 0.00 H new ATOM 0 HG1 THR A 26 29.226 9.940 3.622 1.00 0.00 H new ATOM 0 HG21 THR A 26 31.917 7.678 3.602 1.00 0.00 H new ATOM 0 HG22 THR A 26 31.440 6.851 2.100 1.00 0.00 H new ATOM 0 HG23 THR A 26 32.108 8.499 2.035 1.00 0.00 H new ATOM 389 N GLN A 27 30.117 10.934 1.171 1.00 0.00 N ATOM 390 CA GLN A 27 30.594 12.204 0.636 1.00 0.00 C ATOM 391 C GLN A 27 29.751 12.655 -0.560 1.00 0.00 C ATOM 392 O GLN A 27 28.937 13.569 -0.448 1.00 0.00 O ATOM 393 CB GLN A 27 32.103 12.147 0.344 1.00 0.00 C ATOM 394 CG GLN A 27 32.920 11.626 1.537 1.00 0.00 C ATOM 395 CD GLN A 27 32.630 12.378 2.834 1.00 0.00 C ATOM 396 OE1 GLN A 27 33.108 13.490 3.026 1.00 0.00 O ATOM 397 NE2 GLN A 27 31.847 11.794 3.739 1.00 0.00 N ATOM 0 H GLN A 27 29.864 11.022 2.155 1.00 0.00 H new ATOM 0 HA GLN A 27 30.464 12.975 1.395 1.00 0.00 H new ATOM 0 HB2 GLN A 27 32.278 11.504 -0.519 1.00 0.00 H new ATOM 0 HB3 GLN A 27 32.455 13.143 0.076 1.00 0.00 H new ATOM 0 HG2 GLN A 27 32.706 10.567 1.682 1.00 0.00 H new ATOM 0 HG3 GLN A 27 33.982 11.708 1.306 1.00 0.00 H new ATOM 0 HE21 GLN A 27 31.460 10.868 3.557 1.00 0.00 H new ATOM 0 HE22 GLN A 27 31.634 12.273 4.614 1.00 0.00 H new ATOM 406 N GLY A 28 29.917 11.973 -1.690 1.00 0.00 N ATOM 407 CA GLY A 28 29.075 12.116 -2.858 1.00 0.00 C ATOM 408 C GLY A 28 29.441 11.076 -3.912 1.00 0.00 C ATOM 409 O GLY A 28 29.430 11.392 -5.097 1.00 0.00 O ATOM 0 H GLY A 28 30.663 11.289 -1.815 1.00 0.00 H new ATOM 0 HA2 GLY A 28 28.028 12.003 -2.575 1.00 0.00 H new ATOM 0 HA3 GLY A 28 29.186 13.118 -3.273 1.00 0.00 H new ATOM 413 N ASP A 29 29.749 9.834 -3.507 1.00 0.00 N ATOM 414 CA ASP A 29 30.047 8.775 -4.473 1.00 0.00 C ATOM 415 C ASP A 29 28.860 8.599 -5.428 1.00 0.00 C ATOM 416 O ASP A 29 28.991 8.738 -6.645 1.00 0.00 O ATOM 417 CB ASP A 29 30.387 7.470 -3.741 1.00 0.00 C ATOM 418 CG ASP A 29 30.766 6.362 -4.722 1.00 0.00 C ATOM 419 OD1 ASP A 29 29.861 5.920 -5.462 1.00 0.00 O ATOM 420 OD2 ASP A 29 31.958 5.989 -4.722 1.00 0.00 O ATOM 0 H ASP A 29 29.797 9.545 -2.530 1.00 0.00 H new ATOM 0 HA ASP A 29 30.918 9.054 -5.066 1.00 0.00 H new ATOM 0 HB2 ASP A 29 31.212 7.643 -3.050 1.00 0.00 H new ATOM 0 HB3 ASP A 29 29.532 7.153 -3.144 1.00 0.00 H new ATOM 425 N VAL A 30 27.683 8.351 -4.843 1.00 0.00 N ATOM 426 CA VAL A 30 26.421 8.329 -5.568 1.00 0.00 C ATOM 427 C VAL A 30 26.304 9.605 -6.402 1.00 0.00 C ATOM 428 O VAL A 30 26.048 9.522 -7.595 1.00 0.00 O ATOM 429 CB VAL A 30 25.248 8.127 -4.586 1.00 0.00 C ATOM 430 CG1 VAL A 30 23.880 8.398 -5.222 1.00 0.00 C ATOM 431 CG2 VAL A 30 25.243 6.680 -4.083 1.00 0.00 C ATOM 0 H VAL A 30 27.586 8.159 -3.846 1.00 0.00 H new ATOM 0 HA VAL A 30 26.385 7.486 -6.258 1.00 0.00 H new ATOM 0 HB VAL A 30 25.400 8.840 -3.776 1.00 0.00 H new ATOM 0 HG11 VAL A 30 23.096 8.239 -4.481 1.00 0.00 H new ATOM 0 HG12 VAL A 30 23.841 9.428 -5.576 1.00 0.00 H new ATOM 0 HG13 VAL A 30 23.728 7.720 -6.062 1.00 0.00 H new ATOM 0 HG21 VAL A 30 24.414 6.539 -3.389 1.00 0.00 H new ATOM 0 HG22 VAL A 30 25.129 6.001 -4.928 1.00 0.00 H new ATOM 0 HG23 VAL A 30 26.183 6.469 -3.573 1.00 0.00 H new ATOM 441 N GLY A 31 26.535 10.773 -5.792 1.00 0.00 N ATOM 442 CA GLY A 31 26.521 12.061 -6.474 1.00 0.00 C ATOM 443 C GLY A 31 27.347 12.086 -7.758 1.00 0.00 C ATOM 444 O GLY A 31 26.871 12.568 -8.780 1.00 0.00 O ATOM 0 H GLY A 31 26.740 10.845 -4.795 1.00 0.00 H new ATOM 0 HA2 GLY A 31 25.490 12.325 -6.711 1.00 0.00 H new ATOM 0 HA3 GLY A 31 26.898 12.826 -5.795 1.00 0.00 H new ATOM 448 N LEU A 32 28.572 11.562 -7.731 1.00 0.00 N ATOM 449 CA LEU A 32 29.446 11.527 -8.898 1.00 0.00 C ATOM 450 C LEU A 32 28.831 10.667 -9.998 1.00 0.00 C ATOM 451 O LEU A 32 28.726 11.075 -11.156 1.00 0.00 O ATOM 452 CB LEU A 32 30.814 10.980 -8.475 1.00 0.00 C ATOM 453 CG LEU A 32 31.916 11.163 -9.531 1.00 0.00 C ATOM 454 CD1 LEU A 32 32.274 12.640 -9.739 1.00 0.00 C ATOM 455 CD2 LEU A 32 33.169 10.405 -9.080 1.00 0.00 C ATOM 0 H LEU A 32 28.985 11.149 -6.895 1.00 0.00 H new ATOM 0 HA LEU A 32 29.569 12.534 -9.297 1.00 0.00 H new ATOM 0 HB2 LEU A 32 31.122 11.475 -7.554 1.00 0.00 H new ATOM 0 HB3 LEU A 32 30.715 9.918 -8.249 1.00 0.00 H new ATOM 0 HG LEU A 32 31.542 10.772 -10.477 1.00 0.00 H new ATOM 0 HD11 LEU A 32 33.057 12.722 -10.493 1.00 0.00 H new ATOM 0 HD12 LEU A 32 31.391 13.185 -10.072 1.00 0.00 H new ATOM 0 HD13 LEU A 32 32.630 13.064 -8.800 1.00 0.00 H new ATOM 0 HD21 LEU A 32 33.957 10.529 -9.823 1.00 0.00 H new ATOM 0 HD22 LEU A 32 33.508 10.800 -8.122 1.00 0.00 H new ATOM 0 HD23 LEU A 32 32.935 9.346 -8.973 1.00 0.00 H new ATOM 467 N ALA A 33 28.432 9.453 -9.625 1.00 0.00 N ATOM 468 CA ALA A 33 27.845 8.500 -10.556 1.00 0.00 C ATOM 469 C ALA A 33 26.548 9.053 -11.173 1.00 0.00 C ATOM 470 O ALA A 33 26.411 9.111 -12.393 1.00 0.00 O ATOM 471 CB ALA A 33 27.656 7.163 -9.839 1.00 0.00 C ATOM 0 H ALA A 33 28.508 9.105 -8.669 1.00 0.00 H new ATOM 0 HA ALA A 33 28.516 8.334 -11.399 1.00 0.00 H new ATOM 0 HB1 ALA A 33 27.217 6.440 -10.527 1.00 0.00 H new ATOM 0 HB2 ALA A 33 28.622 6.795 -9.495 1.00 0.00 H new ATOM 0 HB3 ALA A 33 26.994 7.299 -8.984 1.00 0.00 H new ATOM 477 N MET A 34 25.613 9.501 -10.332 1.00 0.00 N ATOM 478 CA MET A 34 24.419 10.250 -10.729 1.00 0.00 C ATOM 479 C MET A 34 24.821 11.444 -11.588 1.00 0.00 C ATOM 480 O MET A 34 24.123 11.795 -12.524 1.00 0.00 O ATOM 481 CB MET A 34 23.729 10.812 -9.475 1.00 0.00 C ATOM 482 CG MET A 34 23.250 9.753 -8.476 1.00 0.00 C ATOM 483 SD MET A 34 21.476 9.450 -8.355 1.00 0.00 S ATOM 484 CE MET A 34 21.073 9.276 -10.095 1.00 0.00 C ATOM 0 H MET A 34 25.668 9.348 -9.325 1.00 0.00 H new ATOM 0 HA MET A 34 23.757 9.581 -11.279 1.00 0.00 H new ATOM 0 HB2 MET A 34 24.421 11.484 -8.967 1.00 0.00 H new ATOM 0 HB3 MET A 34 22.873 11.411 -9.786 1.00 0.00 H new ATOM 0 HG2 MET A 34 23.734 8.810 -8.730 1.00 0.00 H new ATOM 0 HG3 MET A 34 23.609 10.039 -7.487 1.00 0.00 H new ATOM 0 HE1 MET A 34 20.085 8.827 -10.197 1.00 0.00 H new ATOM 0 HE2 MET A 34 21.076 10.258 -10.569 1.00 0.00 H new ATOM 0 HE3 MET A 34 21.813 8.638 -10.578 1.00 0.00 H new ATOM 494 N GLY A 35 25.935 12.085 -11.253 1.00 0.00 N ATOM 495 CA GLY A 35 26.558 13.152 -12.015 1.00 0.00 C ATOM 496 C GLY A 35 26.713 12.765 -13.473 1.00 0.00 C ATOM 497 O GLY A 35 26.165 13.420 -14.355 1.00 0.00 O ATOM 0 H GLY A 35 26.450 11.861 -10.401 1.00 0.00 H new ATOM 0 HA2 GLY A 35 25.956 14.057 -11.938 1.00 0.00 H new ATOM 0 HA3 GLY A 35 27.535 13.383 -11.591 1.00 0.00 H new ATOM 501 N LYS A 36 27.451 11.686 -13.717 1.00 0.00 N ATOM 502 CA LYS A 36 27.632 11.180 -15.071 1.00 0.00 C ATOM 503 C LYS A 36 26.296 10.733 -15.683 1.00 0.00 C ATOM 504 O LYS A 36 26.053 10.940 -16.869 1.00 0.00 O ATOM 505 CB LYS A 36 28.647 10.027 -15.073 1.00 0.00 C ATOM 506 CG LYS A 36 29.999 10.381 -14.432 1.00 0.00 C ATOM 507 CD LYS A 36 30.675 11.582 -15.110 1.00 0.00 C ATOM 508 CE LYS A 36 32.080 11.828 -14.548 1.00 0.00 C ATOM 509 NZ LYS A 36 32.041 12.198 -13.122 1.00 0.00 N ATOM 0 H LYS A 36 27.932 11.148 -12.996 1.00 0.00 H new ATOM 0 HA LYS A 36 28.021 11.990 -15.689 1.00 0.00 H new ATOM 0 HB2 LYS A 36 28.217 9.177 -14.543 1.00 0.00 H new ATOM 0 HB3 LYS A 36 28.817 9.708 -16.101 1.00 0.00 H new ATOM 0 HG2 LYS A 36 29.850 10.601 -13.375 1.00 0.00 H new ATOM 0 HG3 LYS A 36 30.661 9.517 -14.487 1.00 0.00 H new ATOM 0 HD2 LYS A 36 30.737 11.407 -16.184 1.00 0.00 H new ATOM 0 HD3 LYS A 36 30.064 12.473 -14.967 1.00 0.00 H new ATOM 0 HE2 LYS A 36 32.685 10.930 -14.674 1.00 0.00 H new ATOM 0 HE3 LYS A 36 32.565 12.621 -15.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 33.000 12.439 -12.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 31.416 13.019 -12.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 31.679 11.397 -12.565 1.00 0.00 H new ATOM 523 N LEU A 37 25.449 10.091 -14.876 1.00 0.00 N ATOM 524 CA LEU A 37 24.261 9.385 -15.337 1.00 0.00 C ATOM 525 C LEU A 37 23.008 10.272 -15.518 1.00 0.00 C ATOM 526 O LEU A 37 22.110 9.907 -16.273 1.00 0.00 O ATOM 527 CB LEU A 37 24.060 8.201 -14.374 1.00 0.00 C ATOM 528 CG LEU A 37 22.941 7.228 -14.743 1.00 0.00 C ATOM 529 CD1 LEU A 37 23.059 6.671 -16.168 1.00 0.00 C ATOM 530 CD2 LEU A 37 22.928 6.058 -13.756 1.00 0.00 C ATOM 0 H LEU A 37 25.576 10.049 -13.865 1.00 0.00 H new ATOM 0 HA LEU A 37 24.416 9.028 -16.355 1.00 0.00 H new ATOM 0 HB2 LEU A 37 24.995 7.644 -14.313 1.00 0.00 H new ATOM 0 HB3 LEU A 37 23.859 8.597 -13.378 1.00 0.00 H new ATOM 0 HG LEU A 37 22.013 7.797 -14.694 1.00 0.00 H new ATOM 0 HD11 LEU A 37 22.232 5.988 -16.361 1.00 0.00 H new ATOM 0 HD12 LEU A 37 23.026 7.492 -16.884 1.00 0.00 H new ATOM 0 HD13 LEU A 37 24.003 6.137 -16.273 1.00 0.00 H new ATOM 0 HD21 LEU A 37 22.129 5.366 -14.022 1.00 0.00 H new ATOM 0 HD22 LEU A 37 23.885 5.539 -13.795 1.00 0.00 H new ATOM 0 HD23 LEU A 37 22.760 6.435 -12.747 1.00 0.00 H new ATOM 542 N TYR A 38 22.921 11.414 -14.828 1.00 0.00 N ATOM 543 CA TYR A 38 21.776 12.331 -14.803 1.00 0.00 C ATOM 544 C TYR A 38 22.247 13.778 -14.596 1.00 0.00 C ATOM 545 O TYR A 38 22.026 14.637 -15.444 1.00 0.00 O ATOM 546 CB TYR A 38 20.794 11.996 -13.660 1.00 0.00 C ATOM 547 CG TYR A 38 20.059 10.671 -13.725 1.00 0.00 C ATOM 548 CD1 TYR A 38 20.701 9.523 -13.233 1.00 0.00 C ATOM 549 CD2 TYR A 38 18.674 10.631 -13.982 1.00 0.00 C ATOM 550 CE1 TYR A 38 19.989 8.325 -13.066 1.00 0.00 C ATOM 551 CE2 TYR A 38 17.953 9.438 -13.787 1.00 0.00 C ATOM 552 CZ TYR A 38 18.626 8.274 -13.391 1.00 0.00 C ATOM 553 OH TYR A 38 17.906 7.151 -13.145 1.00 0.00 O ATOM 0 H TYR A 38 23.688 11.741 -14.241 1.00 0.00 H new ATOM 0 HA TYR A 38 21.272 12.219 -15.763 1.00 0.00 H new ATOM 0 HB2 TYR A 38 21.349 12.026 -12.722 1.00 0.00 H new ATOM 0 HB3 TYR A 38 20.049 12.790 -13.615 1.00 0.00 H new ATOM 0 HD1 TYR A 38 21.751 9.562 -12.981 1.00 0.00 H new ATOM 0 HD2 TYR A 38 18.165 11.518 -14.329 1.00 0.00 H new ATOM 0 HE1 TYR A 38 20.489 7.445 -12.688 1.00 0.00 H new ATOM 0 HE2 TYR A 38 16.884 9.420 -13.942 1.00 0.00 H new ATOM 0 HH TYR A 38 18.080 6.845 -12.231 1.00 0.00 H new ATOM 563 N GLY A 39 22.828 14.058 -13.424 1.00 0.00 N ATOM 564 CA GLY A 39 23.146 15.395 -12.944 1.00 0.00 C ATOM 565 C GLY A 39 23.737 15.282 -11.538 1.00 0.00 C ATOM 566 O GLY A 39 23.290 14.455 -10.740 1.00 0.00 O ATOM 0 H GLY A 39 23.097 13.328 -12.764 1.00 0.00 H new ATOM 0 HA2 GLY A 39 23.856 15.879 -13.615 1.00 0.00 H new ATOM 0 HA3 GLY A 39 22.249 16.014 -12.929 1.00 0.00 H new ATOM 570 N ASN A 40 24.768 16.081 -11.234 1.00 0.00 N ATOM 571 CA ASN A 40 25.590 15.897 -10.035 1.00 0.00 C ATOM 572 C ASN A 40 24.943 16.499 -8.789 1.00 0.00 C ATOM 573 O ASN A 40 25.492 17.406 -8.163 1.00 0.00 O ATOM 574 CB ASN A 40 27.013 16.422 -10.289 1.00 0.00 C ATOM 575 CG ASN A 40 28.029 15.850 -9.298 1.00 0.00 C ATOM 576 OD1 ASN A 40 28.908 15.084 -9.682 1.00 0.00 O ATOM 577 ND2 ASN A 40 27.943 16.222 -8.026 1.00 0.00 N ATOM 0 H ASN A 40 25.054 16.871 -11.812 1.00 0.00 H new ATOM 0 HA ASN A 40 25.663 14.830 -9.827 1.00 0.00 H new ATOM 0 HB2 ASN A 40 27.316 16.167 -11.304 1.00 0.00 H new ATOM 0 HB3 ASN A 40 27.014 17.510 -10.220 1.00 0.00 H new ATOM 0 HD21 ASN A 40 28.616 15.870 -7.345 1.00 0.00 H new ATOM 0 HD22 ASN A 40 27.204 16.860 -7.730 1.00 0.00 H new ATOM 584 N ASP A 41 23.777 15.971 -8.425 1.00 0.00 N ATOM 585 CA ASP A 41 23.125 16.242 -7.152 1.00 0.00 C ATOM 586 C ASP A 41 23.585 15.151 -6.170 1.00 0.00 C ATOM 587 O ASP A 41 24.652 14.573 -6.366 1.00 0.00 O ATOM 588 CB ASP A 41 21.617 16.365 -7.422 1.00 0.00 C ATOM 589 CG ASP A 41 20.820 16.851 -6.225 1.00 0.00 C ATOM 590 OD1 ASP A 41 20.764 18.083 -6.023 1.00 0.00 O ATOM 591 OD2 ASP A 41 20.304 15.966 -5.511 1.00 0.00 O ATOM 0 H ASP A 41 23.251 15.331 -9.020 1.00 0.00 H new ATOM 0 HA ASP A 41 23.396 17.184 -6.676 1.00 0.00 H new ATOM 0 HB2 ASP A 41 21.461 17.051 -8.254 1.00 0.00 H new ATOM 0 HB3 ASP A 41 21.232 15.394 -7.733 1.00 0.00 H new ATOM 596 N PHE A 42 22.817 14.834 -5.126 1.00 0.00 N ATOM 597 CA PHE A 42 23.043 13.660 -4.292 1.00 0.00 C ATOM 598 C PHE A 42 24.415 13.636 -3.614 1.00 0.00 C ATOM 599 O PHE A 42 25.012 12.572 -3.441 1.00 0.00 O ATOM 600 CB PHE A 42 22.768 12.385 -5.101 1.00 0.00 C ATOM 601 CG PHE A 42 21.615 12.506 -6.083 1.00 0.00 C ATOM 602 CD1 PHE A 42 20.290 12.549 -5.615 1.00 0.00 C ATOM 603 CD2 PHE A 42 21.881 12.795 -7.436 1.00 0.00 C ATOM 604 CE1 PHE A 42 19.240 12.840 -6.501 1.00 0.00 C ATOM 605 CE2 PHE A 42 20.822 12.960 -8.345 1.00 0.00 C ATOM 606 CZ PHE A 42 19.500 13.005 -7.873 1.00 0.00 C ATOM 0 H PHE A 42 22.014 15.392 -4.836 1.00 0.00 H new ATOM 0 HA PHE A 42 22.335 13.712 -3.465 1.00 0.00 H new ATOM 0 HB2 PHE A 42 23.670 12.115 -5.649 1.00 0.00 H new ATOM 0 HB3 PHE A 42 22.558 11.568 -4.410 1.00 0.00 H new ATOM 0 HD1 PHE A 42 20.079 12.358 -4.573 1.00 0.00 H new ATOM 0 HD2 PHE A 42 22.902 12.890 -7.776 1.00 0.00 H new ATOM 0 HE1 PHE A 42 18.231 12.937 -6.128 1.00 0.00 H new ATOM 0 HE2 PHE A 42 21.024 13.052 -9.402 1.00 0.00 H new ATOM 0 HZ PHE A 42 18.685 13.166 -8.563 1.00 0.00 H new ATOM 616 N SER A 43 24.870 14.791 -3.128 1.00 0.00 N ATOM 617 CA SER A 43 26.036 14.936 -2.268 1.00 0.00 C ATOM 618 C SER A 43 25.671 14.472 -0.855 1.00 0.00 C ATOM 619 O SER A 43 25.831 15.226 0.103 1.00 0.00 O ATOM 620 CB SER A 43 26.385 16.429 -2.283 1.00 0.00 C ATOM 621 OG SER A 43 25.192 17.189 -2.132 1.00 0.00 O ATOM 0 H SER A 43 24.417 15.682 -3.332 1.00 0.00 H new ATOM 0 HA SER A 43 26.884 14.339 -2.605 1.00 0.00 H new ATOM 0 HB2 SER A 43 27.082 16.660 -1.478 1.00 0.00 H new ATOM 0 HB3 SER A 43 26.881 16.690 -3.218 1.00 0.00 H new ATOM 0 HG SER A 43 25.410 18.144 -2.139 1.00 0.00 H new ATOM 627 N GLN A 44 25.085 13.276 -0.729 1.00 0.00 N ATOM 628 CA GLN A 44 24.428 12.759 0.470 1.00 0.00 C ATOM 629 C GLN A 44 23.149 13.537 0.806 1.00 0.00 C ATOM 630 O GLN A 44 22.157 12.919 1.173 1.00 0.00 O ATOM 631 CB GLN A 44 25.362 12.685 1.684 1.00 0.00 C ATOM 632 CG GLN A 44 26.556 11.766 1.418 1.00 0.00 C ATOM 633 CD GLN A 44 27.539 11.813 2.578 1.00 0.00 C ATOM 634 OE1 GLN A 44 27.763 10.814 3.255 1.00 0.00 O ATOM 635 NE2 GLN A 44 28.168 12.962 2.796 1.00 0.00 N ATOM 0 H GLN A 44 25.056 12.611 -1.502 1.00 0.00 H new ATOM 0 HA GLN A 44 24.144 11.734 0.230 1.00 0.00 H new ATOM 0 HB2 GLN A 44 25.719 13.685 1.931 1.00 0.00 H new ATOM 0 HB3 GLN A 44 24.808 12.322 2.549 1.00 0.00 H new ATOM 0 HG2 GLN A 44 26.209 10.743 1.270 1.00 0.00 H new ATOM 0 HG3 GLN A 44 27.056 12.069 0.498 1.00 0.00 H new ATOM 0 HE21 GLN A 44 27.960 13.775 2.216 1.00 0.00 H new ATOM 0 HE22 GLN A 44 28.859 13.031 3.543 1.00 0.00 H new ATOM 644 N THR A 45 23.155 14.867 0.703 1.00 0.00 N ATOM 645 CA THR A 45 22.097 15.780 1.106 1.00 0.00 C ATOM 646 C THR A 45 20.691 15.284 0.727 1.00 0.00 C ATOM 647 O THR A 45 19.902 14.895 1.589 1.00 0.00 O ATOM 648 CB THR A 45 22.425 17.163 0.508 1.00 0.00 C ATOM 649 OG1 THR A 45 23.831 17.313 0.363 1.00 0.00 O ATOM 650 CG2 THR A 45 21.869 18.295 1.374 1.00 0.00 C ATOM 0 H THR A 45 23.955 15.363 0.309 1.00 0.00 H new ATOM 0 HA THR A 45 22.066 15.844 2.194 1.00 0.00 H new ATOM 0 HB THR A 45 21.950 17.222 -0.471 1.00 0.00 H new ATOM 0 HG1 THR A 45 24.071 17.248 -0.585 1.00 0.00 H new ATOM 0 HG21 THR A 45 22.119 19.255 0.922 1.00 0.00 H new ATOM 0 HG22 THR A 45 20.786 18.199 1.447 1.00 0.00 H new ATOM 0 HG23 THR A 45 22.306 18.238 2.371 1.00 0.00 H new ATOM 658 N THR A 46 20.366 15.286 -0.566 1.00 0.00 N ATOM 659 CA THR A 46 19.035 14.952 -1.044 1.00 0.00 C ATOM 660 C THR A 46 18.714 13.488 -0.747 1.00 0.00 C ATOM 661 O THR A 46 17.606 13.166 -0.330 1.00 0.00 O ATOM 662 CB THR A 46 18.966 15.261 -2.540 1.00 0.00 C ATOM 663 OG1 THR A 46 20.096 14.697 -3.166 1.00 0.00 O ATOM 664 CG2 THR A 46 18.987 16.775 -2.787 1.00 0.00 C ATOM 0 H THR A 46 21.024 15.521 -1.309 1.00 0.00 H new ATOM 0 HA THR A 46 18.284 15.550 -0.527 1.00 0.00 H new ATOM 0 HB THR A 46 18.041 14.847 -2.941 1.00 0.00 H new ATOM 0 HG1 THR A 46 20.231 15.120 -4.040 1.00 0.00 H new ATOM 0 HG21 THR A 46 18.937 16.970 -3.858 1.00 0.00 H new ATOM 0 HG22 THR A 46 18.131 17.236 -2.294 1.00 0.00 H new ATOM 0 HG23 THR A 46 19.908 17.197 -2.384 1.00 0.00 H new ATOM 672 N ILE A 47 19.695 12.606 -0.929 1.00 0.00 N ATOM 673 CA ILE A 47 19.603 11.193 -0.575 1.00 0.00 C ATOM 674 C ILE A 47 19.201 11.027 0.899 1.00 0.00 C ATOM 675 O ILE A 47 18.362 10.190 1.225 1.00 0.00 O ATOM 676 CB ILE A 47 20.926 10.484 -0.918 1.00 0.00 C ATOM 677 CG1 ILE A 47 21.259 10.542 -2.413 1.00 0.00 C ATOM 678 CG2 ILE A 47 20.939 9.035 -0.424 1.00 0.00 C ATOM 679 CD1 ILE A 47 20.295 9.787 -3.330 1.00 0.00 C ATOM 0 H ILE A 47 20.595 12.861 -1.336 1.00 0.00 H new ATOM 0 HA ILE A 47 18.817 10.718 -1.162 1.00 0.00 H new ATOM 0 HB ILE A 47 21.704 11.035 -0.390 1.00 0.00 H new ATOM 0 HG12 ILE A 47 21.284 11.587 -2.722 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.262 10.142 -2.560 1.00 0.00 H new ATOM 0 HG21 ILE A 47 21.889 8.570 -0.686 1.00 0.00 H new ATOM 0 HG22 ILE A 47 20.813 9.019 0.659 1.00 0.00 H new ATOM 0 HG23 ILE A 47 20.124 8.483 -0.893 1.00 0.00 H new ATOM 0 HD11 ILE A 47 20.620 9.891 -4.365 1.00 0.00 H new ATOM 0 HD12 ILE A 47 20.285 8.732 -3.057 1.00 0.00 H new ATOM 0 HD13 ILE A 47 19.292 10.199 -3.222 1.00 0.00 H new ATOM 691 N SER A 48 19.758 11.840 1.796 1.00 0.00 N ATOM 692 CA SER A 48 19.409 11.813 3.207 1.00 0.00 C ATOM 693 C SER A 48 17.981 12.320 3.396 1.00 0.00 C ATOM 694 O SER A 48 17.179 11.675 4.062 1.00 0.00 O ATOM 695 CB SER A 48 20.419 12.627 4.023 1.00 0.00 C ATOM 696 OG SER A 48 21.725 12.137 3.789 1.00 0.00 O ATOM 0 H SER A 48 20.465 12.536 1.559 1.00 0.00 H new ATOM 0 HA SER A 48 19.451 10.787 3.573 1.00 0.00 H new ATOM 0 HB2 SER A 48 20.360 13.680 3.747 1.00 0.00 H new ATOM 0 HB3 SER A 48 20.180 12.562 5.085 1.00 0.00 H new ATOM 0 HG SER A 48 21.997 12.355 2.873 1.00 0.00 H new ATOM 702 N ARG A 49 17.643 13.462 2.787 1.00 0.00 N ATOM 703 CA ARG A 49 16.297 14.029 2.865 1.00 0.00 C ATOM 704 C ARG A 49 15.235 13.055 2.322 1.00 0.00 C ATOM 705 O ARG A 49 14.104 13.007 2.809 1.00 0.00 O ATOM 706 CB ARG A 49 16.267 15.369 2.120 1.00 0.00 C ATOM 707 CG ARG A 49 17.133 16.422 2.827 1.00 0.00 C ATOM 708 CD ARG A 49 17.226 17.702 1.993 1.00 0.00 C ATOM 709 NE ARG A 49 18.116 18.678 2.634 1.00 0.00 N ATOM 710 CZ ARG A 49 18.477 19.851 2.093 1.00 0.00 C ATOM 711 NH1 ARG A 49 18.014 20.212 0.891 1.00 0.00 N ATOM 712 NH2 ARG A 49 19.307 20.656 2.762 1.00 0.00 N ATOM 0 H ARG A 49 18.293 14.015 2.229 1.00 0.00 H new ATOM 0 HA ARG A 49 16.049 14.201 3.912 1.00 0.00 H new ATOM 0 HB2 ARG A 49 16.623 15.228 1.100 1.00 0.00 H new ATOM 0 HB3 ARG A 49 15.240 15.727 2.052 1.00 0.00 H new ATOM 0 HG2 ARG A 49 16.709 16.650 3.805 1.00 0.00 H new ATOM 0 HG3 ARG A 49 18.132 16.021 2.998 1.00 0.00 H new ATOM 0 HD2 ARG A 49 17.596 17.465 0.996 1.00 0.00 H new ATOM 0 HD3 ARG A 49 16.233 18.134 1.870 1.00 0.00 H new ATOM 0 HE ARG A 49 18.486 18.448 3.556 1.00 0.00 H new ATOM 0 HH11 ARG A 49 17.383 19.594 0.381 1.00 0.00 H new ATOM 0 HH12 ARG A 49 18.292 21.105 0.485 1.00 0.00 H new ATOM 0 HH21 ARG A 49 19.661 20.377 3.677 1.00 0.00 H new ATOM 0 HH22 ARG A 49 19.587 21.550 2.358 1.00 0.00 H new ATOM 726 N PHE A 50 15.611 12.271 1.310 1.00 0.00 N ATOM 727 CA PHE A 50 14.826 11.198 0.715 1.00 0.00 C ATOM 728 C PHE A 50 14.667 10.046 1.696 1.00 0.00 C ATOM 729 O PHE A 50 13.557 9.609 1.976 1.00 0.00 O ATOM 730 CB PHE A 50 15.553 10.708 -0.534 1.00 0.00 C ATOM 731 CG PHE A 50 14.903 9.549 -1.263 1.00 0.00 C ATOM 732 CD1 PHE A 50 13.603 9.677 -1.781 1.00 0.00 C ATOM 733 CD2 PHE A 50 15.615 8.352 -1.450 1.00 0.00 C ATOM 734 CE1 PHE A 50 13.027 8.626 -2.514 1.00 0.00 C ATOM 735 CE2 PHE A 50 15.037 7.300 -2.178 1.00 0.00 C ATOM 736 CZ PHE A 50 13.750 7.442 -2.724 1.00 0.00 C ATOM 0 H PHE A 50 16.521 12.377 0.862 1.00 0.00 H new ATOM 0 HA PHE A 50 13.834 11.570 0.459 1.00 0.00 H new ATOM 0 HB2 PHE A 50 15.646 11.543 -1.228 1.00 0.00 H new ATOM 0 HB3 PHE A 50 16.564 10.414 -0.251 1.00 0.00 H new ATOM 0 HD1 PHE A 50 13.045 10.587 -1.615 1.00 0.00 H new ATOM 0 HD2 PHE A 50 16.606 8.242 -1.034 1.00 0.00 H new ATOM 0 HE1 PHE A 50 12.030 8.729 -2.915 1.00 0.00 H new ATOM 0 HE2 PHE A 50 15.583 6.379 -2.319 1.00 0.00 H new ATOM 0 HZ PHE A 50 13.318 6.641 -3.305 1.00 0.00 H new ATOM 746 N GLU A 51 15.785 9.572 2.238 1.00 0.00 N ATOM 747 CA GLU A 51 15.808 8.547 3.280 1.00 0.00 C ATOM 748 C GLU A 51 15.073 8.990 4.556 1.00 0.00 C ATOM 749 O GLU A 51 14.594 8.137 5.299 1.00 0.00 O ATOM 750 CB GLU A 51 17.255 8.104 3.529 1.00 0.00 C ATOM 751 CG GLU A 51 17.750 7.233 2.355 1.00 0.00 C ATOM 752 CD GLU A 51 19.271 7.235 2.170 1.00 0.00 C ATOM 753 OE1 GLU A 51 19.981 7.816 3.021 1.00 0.00 O ATOM 754 OE2 GLU A 51 19.712 6.633 1.168 1.00 0.00 O ATOM 0 H GLU A 51 16.713 9.892 1.963 1.00 0.00 H new ATOM 0 HA GLU A 51 15.250 7.677 2.933 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.897 8.978 3.641 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.317 7.542 4.461 1.00 0.00 H new ATOM 0 HG2 GLU A 51 17.416 6.207 2.512 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.283 7.584 1.435 1.00 0.00 H new ATOM 761 N ALA A 52 14.945 10.302 4.788 1.00 0.00 N ATOM 762 CA ALA A 52 14.102 10.893 5.827 1.00 0.00 C ATOM 763 C ALA A 52 12.675 11.187 5.330 1.00 0.00 C ATOM 764 O ALA A 52 11.818 11.581 6.117 1.00 0.00 O ATOM 765 CB ALA A 52 14.762 12.178 6.335 1.00 0.00 C ATOM 0 H ALA A 52 15.443 11.002 4.238 1.00 0.00 H new ATOM 0 HA ALA A 52 14.009 10.170 6.637 1.00 0.00 H new ATOM 0 HB1 ALA A 52 14.139 12.625 7.110 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.743 11.944 6.748 1.00 0.00 H new ATOM 0 HB3 ALA A 52 14.874 12.881 5.509 1.00 0.00 H new ATOM 771 N LEU A 53 12.417 11.004 4.031 1.00 0.00 N ATOM 772 CA LEU A 53 11.135 11.163 3.360 1.00 0.00 C ATOM 773 C LEU A 53 10.528 12.545 3.600 1.00 0.00 C ATOM 774 O LEU A 53 9.317 12.676 3.770 1.00 0.00 O ATOM 775 CB LEU A 53 10.181 10.005 3.710 1.00 0.00 C ATOM 776 CG LEU A 53 10.576 8.685 3.024 1.00 0.00 C ATOM 777 CD1 LEU A 53 11.606 7.898 3.839 1.00 0.00 C ATOM 778 CD2 LEU A 53 9.330 7.809 2.846 1.00 0.00 C ATOM 0 H LEU A 53 13.152 10.722 3.382 1.00 0.00 H new ATOM 0 HA LEU A 53 11.308 11.108 2.285 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.172 9.860 4.790 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.166 10.274 3.416 1.00 0.00 H new ATOM 0 HG LEU A 53 11.019 8.939 2.061 1.00 0.00 H new ATOM 0 HD11 LEU A 53 11.855 6.974 3.316 1.00 0.00 H new ATOM 0 HD12 LEU A 53 12.507 8.498 3.963 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.190 7.660 4.818 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.609 6.874 2.360 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.893 7.595 3.822 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.601 8.335 2.230 1.00 0.00 H new ATOM 790 N ASN A 54 11.361 13.591 3.562 1.00 0.00 N ATOM 791 CA ASN A 54 10.904 14.951 3.849 1.00 0.00 C ATOM 792 C ASN A 54 10.655 15.784 2.590 1.00 0.00 C ATOM 793 O ASN A 54 10.152 16.901 2.703 1.00 0.00 O ATOM 794 CB ASN A 54 11.832 15.658 4.850 1.00 0.00 C ATOM 795 CG ASN A 54 13.057 16.314 4.220 1.00 0.00 C ATOM 796 OD1 ASN A 54 14.178 15.861 4.418 1.00 0.00 O ATOM 797 ND2 ASN A 54 12.867 17.407 3.486 1.00 0.00 N ATOM 0 H ASN A 54 12.353 13.520 3.336 1.00 0.00 H new ATOM 0 HA ASN A 54 9.928 14.854 4.325 1.00 0.00 H new ATOM 0 HB2 ASN A 54 11.261 16.419 5.381 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.165 14.933 5.593 1.00 0.00 H new ATOM 0 HD21 ASN A 54 13.665 17.889 3.073 1.00 0.00 H new ATOM 0 HD22 ASN A 54 11.923 17.763 3.337 1.00 0.00 H new ATOM 804 N LEU A 55 10.996 15.295 1.392 1.00 0.00 N ATOM 805 CA LEU A 55 10.879 16.086 0.162 1.00 0.00 C ATOM 806 C LEU A 55 9.448 16.026 -0.404 1.00 0.00 C ATOM 807 O LEU A 55 9.240 15.751 -1.588 1.00 0.00 O ATOM 808 CB LEU A 55 11.942 15.655 -0.860 1.00 0.00 C ATOM 809 CG LEU A 55 13.392 15.736 -0.354 1.00 0.00 C ATOM 810 CD1 LEU A 55 14.319 15.050 -1.363 1.00 0.00 C ATOM 811 CD2 LEU A 55 13.837 17.191 -0.167 1.00 0.00 C ATOM 0 H LEU A 55 11.356 14.352 1.248 1.00 0.00 H new ATOM 0 HA LEU A 55 11.071 17.132 0.399 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.736 14.630 -1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.846 16.279 -1.748 1.00 0.00 H new ATOM 0 HG LEU A 55 13.445 15.235 0.613 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.348 15.105 -1.008 1.00 0.00 H new ATOM 0 HD12 LEU A 55 14.028 14.005 -1.472 1.00 0.00 H new ATOM 0 HD13 LEU A 55 14.241 15.551 -2.328 1.00 0.00 H new ATOM 0 HD21 LEU A 55 14.866 17.214 0.191 1.00 0.00 H new ATOM 0 HD22 LEU A 55 13.773 17.716 -1.120 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.189 17.679 0.561 1.00 0.00 H new ATOM 823 N SER A 56 8.477 16.299 0.476 1.00 0.00 N ATOM 824 CA SER A 56 7.051 16.512 0.233 1.00 0.00 C ATOM 825 C SER A 56 6.386 15.550 -0.760 1.00 0.00 C ATOM 826 O SER A 56 5.453 15.952 -1.451 1.00 0.00 O ATOM 827 CB SER A 56 6.811 17.968 -0.194 1.00 0.00 C ATOM 828 OG SER A 56 7.761 18.848 0.384 1.00 0.00 O ATOM 0 H SER A 56 8.694 16.384 1.469 1.00 0.00 H new ATOM 0 HA SER A 56 6.567 16.292 1.185 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.861 18.041 -1.280 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.807 18.273 0.100 1.00 0.00 H new ATOM 0 HG SER A 56 7.489 19.775 0.222 1.00 0.00 H new ATOM 834 N PHE A 57 6.849 14.299 -0.851 1.00 0.00 N ATOM 835 CA PHE A 57 6.413 13.283 -1.811 1.00 0.00 C ATOM 836 C PHE A 57 6.808 13.615 -3.258 1.00 0.00 C ATOM 837 O PHE A 57 7.387 12.776 -3.945 1.00 0.00 O ATOM 838 CB PHE A 57 4.919 12.962 -1.672 1.00 0.00 C ATOM 839 CG PHE A 57 4.516 11.692 -2.402 1.00 0.00 C ATOM 840 CD1 PHE A 57 4.814 10.437 -1.839 1.00 0.00 C ATOM 841 CD2 PHE A 57 3.904 11.762 -3.668 1.00 0.00 C ATOM 842 CE1 PHE A 57 4.487 9.256 -2.530 1.00 0.00 C ATOM 843 CE2 PHE A 57 3.564 10.582 -4.351 1.00 0.00 C ATOM 844 CZ PHE A 57 3.859 9.329 -3.785 1.00 0.00 C ATOM 0 H PHE A 57 7.575 13.951 -0.225 1.00 0.00 H new ATOM 0 HA PHE A 57 6.957 12.373 -1.557 1.00 0.00 H new ATOM 0 HB2 PHE A 57 4.671 12.862 -0.615 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.336 13.798 -2.058 1.00 0.00 H new ATOM 0 HD1 PHE A 57 5.295 10.380 -0.874 1.00 0.00 H new ATOM 0 HD2 PHE A 57 3.696 12.723 -4.114 1.00 0.00 H new ATOM 0 HE1 PHE A 57 4.718 8.294 -2.096 1.00 0.00 H new ATOM 0 HE2 PHE A 57 3.075 10.638 -5.312 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.603 8.423 -4.315 1.00 0.00 H new ATOM 854 N LYS A 58 6.497 14.831 -3.720 1.00 0.00 N ATOM 855 CA LYS A 58 6.738 15.337 -5.065 1.00 0.00 C ATOM 856 C LYS A 58 8.079 14.873 -5.642 1.00 0.00 C ATOM 857 O LYS A 58 8.127 14.306 -6.732 1.00 0.00 O ATOM 858 CB LYS A 58 6.589 16.872 -5.066 1.00 0.00 C ATOM 859 CG LYS A 58 7.667 17.617 -4.259 1.00 0.00 C ATOM 860 CD LYS A 58 7.291 19.088 -4.045 1.00 0.00 C ATOM 861 CE LYS A 58 8.482 19.909 -3.526 1.00 0.00 C ATOM 862 NZ LYS A 58 9.056 19.371 -2.277 1.00 0.00 N ATOM 0 H LYS A 58 6.044 15.525 -3.126 1.00 0.00 H new ATOM 0 HA LYS A 58 5.987 14.915 -5.733 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.614 17.226 -6.096 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.609 17.130 -4.664 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.801 17.130 -3.293 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.621 17.556 -4.782 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.937 19.514 -4.984 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.467 19.153 -3.335 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.257 19.938 -4.292 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.161 20.937 -3.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.924 19.893 -2.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.368 19.477 -1.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.281 18.364 -2.404 1.00 0.00 H new ATOM 876 N ASN A 59 9.173 15.103 -4.910 1.00 0.00 N ATOM 877 CA ASN A 59 10.496 14.731 -5.388 1.00 0.00 C ATOM 878 C ASN A 59 10.666 13.228 -5.248 1.00 0.00 C ATOM 879 O ASN A 59 11.128 12.569 -6.175 1.00 0.00 O ATOM 880 CB ASN A 59 11.582 15.445 -4.579 1.00 0.00 C ATOM 881 CG ASN A 59 12.959 15.435 -5.249 1.00 0.00 C ATOM 882 OD1 ASN A 59 13.779 16.299 -4.959 1.00 0.00 O ATOM 883 ND2 ASN A 59 13.257 14.488 -6.138 1.00 0.00 N ATOM 0 H ASN A 59 9.163 15.543 -3.990 1.00 0.00 H new ATOM 0 HA ASN A 59 10.593 15.025 -6.433 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.277 16.478 -4.412 1.00 0.00 H new ATOM 0 HB3 ASN A 59 11.661 14.973 -3.599 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.174 14.478 -6.584 1.00 0.00 H new ATOM 0 HD22 ASN A 59 12.568 13.774 -6.372 1.00 0.00 H new ATOM 890 N MET A 60 10.336 12.723 -4.058 1.00 0.00 N ATOM 891 CA MET A 60 10.523 11.340 -3.642 1.00 0.00 C ATOM 892 C MET A 60 10.010 10.378 -4.716 1.00 0.00 C ATOM 893 O MET A 60 10.693 9.430 -5.096 1.00 0.00 O ATOM 894 CB MET A 60 9.799 11.098 -2.310 1.00 0.00 C ATOM 895 CG MET A 60 10.337 11.965 -1.164 1.00 0.00 C ATOM 896 SD MET A 60 9.284 12.138 0.293 1.00 0.00 S ATOM 897 CE MET A 60 8.710 10.439 0.470 1.00 0.00 C ATOM 0 H MET A 60 9.912 13.296 -3.328 1.00 0.00 H new ATOM 0 HA MET A 60 11.588 11.154 -3.506 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.735 11.298 -2.440 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.894 10.047 -2.038 1.00 0.00 H new ATOM 0 HG2 MET A 60 11.293 11.550 -0.844 1.00 0.00 H new ATOM 0 HG3 MET A 60 10.538 12.961 -1.558 1.00 0.00 H new ATOM 0 HE1 MET A 60 8.131 10.344 1.388 1.00 0.00 H new ATOM 0 HE2 MET A 60 8.084 10.176 -0.383 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.568 9.768 0.511 1.00 0.00 H new ATOM 907 N CYS A 61 8.805 10.648 -5.216 1.00 0.00 N ATOM 908 CA CYS A 61 8.143 9.824 -6.215 1.00 0.00 C ATOM 909 C CYS A 61 8.946 9.690 -7.511 1.00 0.00 C ATOM 910 O CYS A 61 8.924 8.631 -8.133 1.00 0.00 O ATOM 911 CB CYS A 61 6.750 10.400 -6.479 1.00 0.00 C ATOM 912 SG CYS A 61 5.925 9.425 -7.757 1.00 0.00 S ATOM 0 H CYS A 61 8.256 11.459 -4.931 1.00 0.00 H new ATOM 0 HA CYS A 61 8.061 8.811 -5.821 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.161 10.389 -5.562 1.00 0.00 H new ATOM 0 HB3 CYS A 61 6.829 11.440 -6.795 1.00 0.00 H new ATOM 0 HG CYS A 61 6.810 8.743 -8.422 1.00 0.00 H new ATOM 917 N LYS A 62 9.672 10.736 -7.914 1.00 0.00 N ATOM 918 CA LYS A 62 10.541 10.688 -9.088 1.00 0.00 C ATOM 919 C LYS A 62 11.912 10.122 -8.706 1.00 0.00 C ATOM 920 O LYS A 62 12.553 9.396 -9.466 1.00 0.00 O ATOM 921 CB LYS A 62 10.670 12.097 -9.686 1.00 0.00 C ATOM 922 CG LYS A 62 9.317 12.774 -9.956 1.00 0.00 C ATOM 923 CD LYS A 62 8.339 11.939 -10.797 1.00 0.00 C ATOM 924 CE LYS A 62 8.910 11.582 -12.176 1.00 0.00 C ATOM 925 NZ LYS A 62 7.921 10.852 -12.988 1.00 0.00 N ATOM 0 H LYS A 62 9.673 11.637 -7.436 1.00 0.00 H new ATOM 0 HA LYS A 62 10.105 10.030 -9.840 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.250 12.720 -9.005 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.230 12.037 -10.619 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.846 13.008 -9.001 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.495 13.722 -10.464 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.093 11.023 -10.260 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.409 12.493 -10.924 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.210 12.492 -12.695 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.806 10.973 -12.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.334 10.623 -13.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.654 9.973 -12.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.077 11.444 -13.122 1.00 0.00 H new ATOM 939 N LEU A 63 12.364 10.461 -7.502 1.00 0.00 N ATOM 940 CA LEU A 63 13.648 10.058 -6.972 1.00 0.00 C ATOM 941 C LEU A 63 13.720 8.535 -6.830 1.00 0.00 C ATOM 942 O LEU A 63 14.754 7.947 -7.133 1.00 0.00 O ATOM 943 CB LEU A 63 13.869 10.800 -5.654 1.00 0.00 C ATOM 944 CG LEU A 63 15.235 10.641 -4.978 1.00 0.00 C ATOM 945 CD1 LEU A 63 16.386 10.806 -5.972 1.00 0.00 C ATOM 946 CD2 LEU A 63 15.395 11.744 -3.927 1.00 0.00 C ATOM 0 H LEU A 63 11.827 11.040 -6.856 1.00 0.00 H new ATOM 0 HA LEU A 63 14.455 10.325 -7.654 1.00 0.00 H new ATOM 0 HB2 LEU A 63 13.703 11.862 -5.833 1.00 0.00 H new ATOM 0 HB3 LEU A 63 13.104 10.472 -4.950 1.00 0.00 H new ATOM 0 HG LEU A 63 15.272 9.642 -4.544 1.00 0.00 H new ATOM 0 HD11 LEU A 63 17.336 10.686 -5.452 1.00 0.00 H new ATOM 0 HD12 LEU A 63 16.303 10.051 -6.754 1.00 0.00 H new ATOM 0 HD13 LEU A 63 16.341 11.799 -6.420 1.00 0.00 H new ATOM 0 HD21 LEU A 63 16.364 11.643 -3.438 1.00 0.00 H new ATOM 0 HD22 LEU A 63 15.333 12.719 -4.410 1.00 0.00 H new ATOM 0 HD23 LEU A 63 14.602 11.656 -3.184 1.00 0.00 H new ATOM 958 N LYS A 64 12.633 7.872 -6.414 1.00 0.00 N ATOM 959 CA LYS A 64 12.616 6.414 -6.340 1.00 0.00 C ATOM 960 C LYS A 64 13.035 5.745 -7.661 1.00 0.00 C ATOM 961 O LYS A 64 14.061 5.066 -7.674 1.00 0.00 O ATOM 962 CB LYS A 64 11.290 5.909 -5.760 1.00 0.00 C ATOM 963 CG LYS A 64 11.180 4.377 -5.829 1.00 0.00 C ATOM 964 CD LYS A 64 10.092 3.870 -4.879 1.00 0.00 C ATOM 965 CE LYS A 64 9.902 2.359 -5.039 1.00 0.00 C ATOM 966 NZ LYS A 64 8.951 1.833 -4.047 1.00 0.00 N ATOM 0 H LYS A 64 11.764 8.321 -6.127 1.00 0.00 H new ATOM 0 HA LYS A 64 13.387 6.103 -5.636 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.201 6.233 -4.723 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.460 6.357 -6.307 1.00 0.00 H new ATOM 0 HG2 LYS A 64 10.951 4.069 -6.849 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.137 3.926 -5.567 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.364 4.101 -3.849 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.153 4.384 -5.084 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.541 2.140 -6.044 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.862 1.856 -4.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.843 0.807 -4.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.309 2.022 -3.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.029 2.297 -4.170 1.00 0.00 H new ATOM 980 N PRO A 65 12.296 5.896 -8.774 1.00 0.00 N ATOM 981 CA PRO A 65 12.689 5.313 -10.044 1.00 0.00 C ATOM 982 C PRO A 65 14.068 5.809 -10.492 1.00 0.00 C ATOM 983 O PRO A 65 14.853 5.016 -11.000 1.00 0.00 O ATOM 984 CB PRO A 65 11.571 5.631 -11.042 1.00 0.00 C ATOM 985 CG PRO A 65 10.834 6.811 -10.414 1.00 0.00 C ATOM 986 CD PRO A 65 11.037 6.601 -8.912 1.00 0.00 C ATOM 0 HA PRO A 65 12.806 4.232 -9.964 1.00 0.00 H new ATOM 0 HB2 PRO A 65 11.973 5.888 -12.022 1.00 0.00 H new ATOM 0 HB3 PRO A 65 10.908 4.777 -11.183 1.00 0.00 H new ATOM 0 HG2 PRO A 65 11.246 7.764 -10.745 1.00 0.00 H new ATOM 0 HG3 PRO A 65 9.777 6.811 -10.680 1.00 0.00 H new ATOM 0 HD2 PRO A 65 11.064 7.555 -8.385 1.00 0.00 H new ATOM 0 HD3 PRO A 65 10.217 6.023 -8.484 1.00 0.00 H new ATOM 994 N LEU A 66 14.392 7.091 -10.286 1.00 0.00 N ATOM 995 CA LEU A 66 15.717 7.627 -10.595 1.00 0.00 C ATOM 996 C LEU A 66 16.825 6.794 -9.923 1.00 0.00 C ATOM 997 O LEU A 66 17.753 6.321 -10.587 1.00 0.00 O ATOM 998 CB LEU A 66 15.737 9.115 -10.203 1.00 0.00 C ATOM 999 CG LEU A 66 17.031 9.886 -10.508 1.00 0.00 C ATOM 1000 CD1 LEU A 66 16.716 11.200 -11.233 1.00 0.00 C ATOM 1001 CD2 LEU A 66 17.773 10.242 -9.220 1.00 0.00 C ATOM 0 H LEU A 66 13.745 7.780 -9.903 1.00 0.00 H new ATOM 0 HA LEU A 66 15.923 7.556 -11.663 1.00 0.00 H new ATOM 0 HB2 LEU A 66 14.914 9.614 -10.714 1.00 0.00 H new ATOM 0 HB3 LEU A 66 15.540 9.189 -9.134 1.00 0.00 H new ATOM 0 HG LEU A 66 17.648 9.240 -11.132 1.00 0.00 H new ATOM 0 HD11 LEU A 66 17.644 11.732 -11.441 1.00 0.00 H new ATOM 0 HD12 LEU A 66 16.204 10.984 -12.171 1.00 0.00 H new ATOM 0 HD13 LEU A 66 16.076 11.818 -10.604 1.00 0.00 H new ATOM 0 HD21 LEU A 66 18.685 10.787 -9.464 1.00 0.00 H new ATOM 0 HD22 LEU A 66 17.135 10.865 -8.593 1.00 0.00 H new ATOM 0 HD23 LEU A 66 18.029 9.329 -8.683 1.00 0.00 H new ATOM 1013 N LEU A 67 16.722 6.580 -8.609 1.00 0.00 N ATOM 1014 CA LEU A 67 17.679 5.781 -7.864 1.00 0.00 C ATOM 1015 C LEU A 67 17.590 4.302 -8.223 1.00 0.00 C ATOM 1016 O LEU A 67 18.616 3.631 -8.261 1.00 0.00 O ATOM 1017 CB LEU A 67 17.483 5.973 -6.362 1.00 0.00 C ATOM 1018 CG LEU A 67 17.829 7.377 -5.847 1.00 0.00 C ATOM 1019 CD1 LEU A 67 17.810 7.361 -4.323 1.00 0.00 C ATOM 1020 CD2 LEU A 67 19.178 7.926 -6.318 1.00 0.00 C ATOM 0 H LEU A 67 15.968 6.960 -8.037 1.00 0.00 H new ATOM 0 HA LEU A 67 18.675 6.127 -8.141 1.00 0.00 H new ATOM 0 HB2 LEU A 67 16.444 5.755 -6.114 1.00 0.00 H new ATOM 0 HB3 LEU A 67 18.097 5.244 -5.833 1.00 0.00 H new ATOM 0 HG LEU A 67 17.074 8.042 -6.266 1.00 0.00 H new ATOM 0 HD11 LEU A 67 18.055 8.354 -3.946 1.00 0.00 H new ATOM 0 HD12 LEU A 67 16.818 7.075 -3.974 1.00 0.00 H new ATOM 0 HD13 LEU A 67 18.544 6.643 -3.957 1.00 0.00 H new ATOM 0 HD21 LEU A 67 19.331 8.922 -5.902 1.00 0.00 H new ATOM 0 HD22 LEU A 67 19.977 7.265 -5.982 1.00 0.00 H new ATOM 0 HD23 LEU A 67 19.188 7.982 -7.406 1.00 0.00 H new ATOM 1032 N GLU A 68 16.392 3.773 -8.480 1.00 0.00 N ATOM 1033 CA GLU A 68 16.234 2.394 -8.918 1.00 0.00 C ATOM 1034 C GLU A 68 17.041 2.182 -10.203 1.00 0.00 C ATOM 1035 O GLU A 68 17.828 1.244 -10.301 1.00 0.00 O ATOM 1036 CB GLU A 68 14.741 2.074 -9.098 1.00 0.00 C ATOM 1037 CG GLU A 68 14.454 0.577 -9.306 1.00 0.00 C ATOM 1038 CD GLU A 68 14.893 0.054 -10.673 1.00 0.00 C ATOM 1039 OE1 GLU A 68 14.577 0.737 -11.671 1.00 0.00 O ATOM 1040 OE2 GLU A 68 15.534 -1.019 -10.693 1.00 0.00 O ATOM 0 H GLU A 68 15.515 4.286 -8.390 1.00 0.00 H new ATOM 0 HA GLU A 68 16.619 1.705 -8.167 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.195 2.422 -8.221 1.00 0.00 H new ATOM 0 HB3 GLU A 68 14.359 2.631 -9.953 1.00 0.00 H new ATOM 0 HG2 GLU A 68 14.962 0.007 -8.528 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.385 0.400 -9.185 1.00 0.00 H new ATOM 1047 N LYS A 69 16.863 3.072 -11.180 1.00 0.00 N ATOM 1048 CA LYS A 69 17.566 2.991 -12.447 1.00 0.00 C ATOM 1049 C LYS A 69 19.070 3.156 -12.226 1.00 0.00 C ATOM 1050 O LYS A 69 19.855 2.406 -12.802 1.00 0.00 O ATOM 1051 CB LYS A 69 16.997 4.036 -13.406 1.00 0.00 C ATOM 1052 CG LYS A 69 15.602 3.635 -13.905 1.00 0.00 C ATOM 1053 CD LYS A 69 14.881 4.816 -14.571 1.00 0.00 C ATOM 1054 CE LYS A 69 15.672 5.457 -15.718 1.00 0.00 C ATOM 1055 NZ LYS A 69 16.035 4.473 -16.755 1.00 0.00 N ATOM 0 H LYS A 69 16.227 3.866 -11.109 1.00 0.00 H new ATOM 0 HA LYS A 69 17.419 2.010 -12.899 1.00 0.00 H new ATOM 0 HB2 LYS A 69 16.942 5.002 -12.904 1.00 0.00 H new ATOM 0 HB3 LYS A 69 17.669 4.157 -14.256 1.00 0.00 H new ATOM 0 HG2 LYS A 69 15.691 2.814 -14.616 1.00 0.00 H new ATOM 0 HG3 LYS A 69 15.007 3.269 -13.069 1.00 0.00 H new ATOM 0 HD2 LYS A 69 13.919 4.474 -14.952 1.00 0.00 H new ATOM 0 HD3 LYS A 69 14.673 5.575 -13.817 1.00 0.00 H new ATOM 0 HE2 LYS A 69 15.079 6.254 -16.166 1.00 0.00 H new ATOM 0 HE3 LYS A 69 16.577 5.917 -15.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 16.494 4.961 -17.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 16.691 3.772 -16.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 15.177 3.991 -17.092 1.00 0.00 H new ATOM 1069 N TRP A 70 19.485 4.097 -11.365 1.00 0.00 N ATOM 1070 CA TRP A 70 20.884 4.187 -10.951 1.00 0.00 C ATOM 1071 C TRP A 70 21.379 2.834 -10.426 1.00 0.00 C ATOM 1072 O TRP A 70 22.459 2.381 -10.798 1.00 0.00 O ATOM 1073 CB TRP A 70 21.074 5.290 -9.903 1.00 0.00 C ATOM 1074 CG TRP A 70 22.463 5.427 -9.356 1.00 0.00 C ATOM 1075 CD1 TRP A 70 23.405 6.285 -9.800 1.00 0.00 C ATOM 1076 CD2 TRP A 70 23.102 4.667 -8.284 1.00 0.00 C ATOM 1077 NE1 TRP A 70 24.567 6.113 -9.084 1.00 0.00 N ATOM 1078 CE2 TRP A 70 24.450 5.109 -8.149 1.00 0.00 C ATOM 1079 CE3 TRP A 70 22.682 3.640 -7.417 1.00 0.00 C ATOM 1080 CZ2 TRP A 70 25.338 4.546 -7.218 1.00 0.00 C ATOM 1081 CZ3 TRP A 70 23.554 3.070 -6.474 1.00 0.00 C ATOM 1082 CH2 TRP A 70 24.882 3.513 -6.381 1.00 0.00 C ATOM 0 H TRP A 70 18.874 4.799 -10.947 1.00 0.00 H new ATOM 0 HA TRP A 70 21.483 4.451 -11.823 1.00 0.00 H new ATOM 0 HB2 TRP A 70 20.781 6.242 -10.345 1.00 0.00 H new ATOM 0 HB3 TRP A 70 20.393 5.101 -9.074 1.00 0.00 H new ATOM 0 HD1 TRP A 70 23.267 7.000 -10.598 1.00 0.00 H new ATOM 0 HE1 TRP A 70 25.414 6.663 -9.228 1.00 0.00 H new ATOM 0 HE3 TRP A 70 21.665 3.282 -7.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 26.355 4.901 -7.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 23.201 2.288 -5.818 1.00 0.00 H new ATOM 0 HH2 TRP A 70 25.554 3.060 -5.667 1.00 0.00 H new ATOM 1093 N LEU A 71 20.597 2.191 -9.555 1.00 0.00 N ATOM 1094 CA LEU A 71 20.968 0.932 -8.928 1.00 0.00 C ATOM 1095 C LEU A 71 21.150 -0.122 -10.015 1.00 0.00 C ATOM 1096 O LEU A 71 22.185 -0.777 -10.075 1.00 0.00 O ATOM 1097 CB LEU A 71 19.910 0.499 -7.894 1.00 0.00 C ATOM 1098 CG LEU A 71 20.472 0.412 -6.465 1.00 0.00 C ATOM 1099 CD1 LEU A 71 19.321 0.166 -5.483 1.00 0.00 C ATOM 1100 CD2 LEU A 71 21.501 -0.715 -6.317 1.00 0.00 C ATOM 0 H LEU A 71 19.682 2.537 -9.267 1.00 0.00 H new ATOM 0 HA LEU A 71 21.907 1.054 -8.388 1.00 0.00 H new ATOM 0 HB2 LEU A 71 19.081 1.207 -7.911 1.00 0.00 H new ATOM 0 HB3 LEU A 71 19.506 -0.472 -8.180 1.00 0.00 H new ATOM 0 HG LEU A 71 20.973 1.356 -6.249 1.00 0.00 H new ATOM 0 HD11 LEU A 71 19.715 0.104 -4.469 1.00 0.00 H new ATOM 0 HD12 LEU A 71 18.608 0.988 -5.545 1.00 0.00 H new ATOM 0 HD13 LEU A 71 18.821 -0.769 -5.736 1.00 0.00 H new ATOM 0 HD21 LEU A 71 21.870 -0.738 -5.292 1.00 0.00 H new ATOM 0 HD22 LEU A 71 21.032 -1.670 -6.555 1.00 0.00 H new ATOM 0 HD23 LEU A 71 22.333 -0.539 -6.998 1.00 0.00 H new ATOM 1112 N ASN A 72 20.156 -0.261 -10.896 1.00 0.00 N ATOM 1113 CA ASN A 72 20.213 -1.188 -12.018 1.00 0.00 C ATOM 1114 C ASN A 72 21.462 -0.926 -12.861 1.00 0.00 C ATOM 1115 O ASN A 72 22.160 -1.873 -13.219 1.00 0.00 O ATOM 1116 CB ASN A 72 18.938 -1.071 -12.865 1.00 0.00 C ATOM 1117 CG ASN A 72 18.751 -2.180 -13.908 1.00 0.00 C ATOM 1118 OD1 ASN A 72 17.645 -2.358 -14.405 1.00 0.00 O ATOM 1119 ND2 ASN A 72 19.779 -2.947 -14.271 1.00 0.00 N ATOM 0 H ASN A 72 19.287 0.271 -10.847 1.00 0.00 H new ATOM 0 HA ASN A 72 20.274 -2.207 -11.635 1.00 0.00 H new ATOM 0 HB2 ASN A 72 18.075 -1.070 -12.199 1.00 0.00 H new ATOM 0 HB3 ASN A 72 18.946 -0.109 -13.377 1.00 0.00 H new ATOM 0 HD21 ASN A 72 19.646 -3.684 -14.964 1.00 0.00 H new ATOM 0 HD22 ASN A 72 20.699 -2.797 -13.856 1.00 0.00 H new ATOM 1126 N ASP A 73 21.723 0.341 -13.197 1.00 0.00 N ATOM 1127 CA ASP A 73 22.871 0.738 -14.001 1.00 0.00 C ATOM 1128 C ASP A 73 24.175 0.315 -13.322 1.00 0.00 C ATOM 1129 O ASP A 73 25.004 -0.351 -13.936 1.00 0.00 O ATOM 1130 CB ASP A 73 22.833 2.250 -14.250 1.00 0.00 C ATOM 1131 CG ASP A 73 24.039 2.709 -15.062 1.00 0.00 C ATOM 1132 OD1 ASP A 73 23.940 2.654 -16.307 1.00 0.00 O ATOM 1133 OD2 ASP A 73 25.034 3.112 -14.422 1.00 0.00 O ATOM 0 H ASP A 73 21.134 1.124 -12.913 1.00 0.00 H new ATOM 0 HA ASP A 73 22.825 0.232 -14.965 1.00 0.00 H new ATOM 0 HB2 ASP A 73 21.916 2.511 -14.778 1.00 0.00 H new ATOM 0 HB3 ASP A 73 22.812 2.777 -13.296 1.00 0.00 H new ATOM 1138 N ALA A 74 24.348 0.696 -12.053 1.00 0.00 N ATOM 1139 CA ALA A 74 25.515 0.330 -11.262 1.00 0.00 C ATOM 1140 C ALA A 74 25.682 -1.191 -11.240 1.00 0.00 C ATOM 1141 O ALA A 74 26.762 -1.714 -11.504 1.00 0.00 O ATOM 1142 CB ALA A 74 25.376 0.901 -9.846 1.00 0.00 C ATOM 0 H ALA A 74 23.675 1.271 -11.547 1.00 0.00 H new ATOM 0 HA ALA A 74 26.412 0.754 -11.714 1.00 0.00 H new ATOM 0 HB1 ALA A 74 26.250 0.626 -9.255 1.00 0.00 H new ATOM 0 HB2 ALA A 74 25.300 1.987 -9.898 1.00 0.00 H new ATOM 0 HB3 ALA A 74 24.479 0.496 -9.377 1.00 0.00 H new ATOM 1148 N GLU A 75 24.593 -1.906 -10.950 1.00 0.00 N ATOM 1149 CA GLU A 75 24.528 -3.351 -11.073 1.00 0.00 C ATOM 1150 C GLU A 75 24.556 -3.717 -12.559 1.00 0.00 C ATOM 1151 O GLU A 75 24.261 -4.855 -12.924 1.00 0.00 O ATOM 1152 CB GLU A 75 23.255 -3.862 -10.381 1.00 0.00 C ATOM 1153 CG GLU A 75 23.274 -3.564 -8.872 1.00 0.00 C ATOM 1154 CD GLU A 75 21.950 -3.903 -8.192 1.00 0.00 C ATOM 1155 OE1 GLU A 75 20.895 -3.611 -8.796 1.00 0.00 O ATOM 1156 OE2 GLU A 75 22.015 -4.428 -7.056 1.00 0.00 O ATOM 0 H GLU A 75 23.724 -1.486 -10.620 1.00 0.00 H new ATOM 0 HA GLU A 75 25.382 -3.823 -10.587 1.00 0.00 H new ATOM 0 HB2 GLU A 75 22.381 -3.394 -10.834 1.00 0.00 H new ATOM 0 HB3 GLU A 75 23.160 -4.936 -10.539 1.00 0.00 H new ATOM 0 HG2 GLU A 75 24.076 -4.134 -8.403 1.00 0.00 H new ATOM 0 HG3 GLU A 75 23.499 -2.509 -8.716 1.00 0.00 H new TER 1163 GLU A 75