USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 469 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 40 SER OG : rot 41:sc= 0.897 USER MOD Set 1.2: A 48 ASN : amide:sc= -1.8 K(o=-0.9,f=0.026) USER MOD Single : A 2 SER OG : rot -9:sc= 0.797 USER MOD Single : A 2ALYS NZ :NH3+ 157:sc= -0.125 (180deg=-0.56) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 160:sc= 0.0669 USER MOD Single : A 11 SER OG : rot 110:sc= -0.176 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 176:sc= -2.72! USER MOD Single : A 18 HIS : no HD1:sc= -0.768 K(o=-0.77,f=0.053) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 151:sc= -0.102 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 THR OG1 : rot 180:sc= 0.0341 USER MOD Single : A 139 SER OG : rot 180:sc=-0.00405 USER MOD Single : A 140 HIS : no HD1:sc= -5.11 K(o=-5.1,f=-0.89) USER MOD Single : A 143 LYS NZ :NH3+ 176:sc= 1 (180deg=0.975) USER MOD ----------------------------------------------------------------- ATOM 10 N SER A 2 3.178 9.068 7.175 1.00 0.00 N ATOM 11 CA SER A 2 3.242 8.201 6.004 1.00 0.00 C ATOM 12 C SER A 2 3.975 6.899 6.314 1.00 0.00 C ATOM 13 O SER A 2 3.590 5.833 5.837 1.00 0.00 O ATOM 14 CB SER A 2 3.928 8.922 4.841 1.00 0.00 C ATOM 15 OG SER A 2 4.361 10.217 5.221 1.00 0.00 O ATOM 0 HA SER A 2 2.219 7.955 5.719 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.782 8.336 4.500 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.238 8.999 4.001 1.00 0.00 H new ATOM 0 HG SER A 2 4.000 10.436 6.105 1.00 0.00 H new ATOM 21 N LYS A 2A 5.036 6.991 7.108 1.00 0.00 N ATOM 22 CA LYS A 2A 5.820 5.814 7.468 1.00 0.00 C ATOM 23 C LYS A 2A 6.446 5.178 6.230 1.00 0.00 C ATOM 24 O LYS A 2A 6.768 3.989 6.228 1.00 0.00 O ATOM 25 CB LYS A 2A 4.943 4.790 8.193 1.00 0.00 C ATOM 26 CG LYS A 2A 4.350 5.303 9.497 1.00 0.00 C ATOM 27 CD LYS A 2A 3.075 6.102 9.264 1.00 0.00 C ATOM 28 CE LYS A 2A 2.024 5.290 8.522 1.00 0.00 C ATOM 29 NZ LYS A 2A 1.978 3.876 8.989 1.00 0.00 N ATOM 0 H LYS A 2A 5.372 7.864 7.514 1.00 0.00 H new ATOM 0 HA LYS A 2A 6.620 6.133 8.136 1.00 0.00 H new ATOM 0 HB2 LYS A 2A 4.132 4.486 7.531 1.00 0.00 H new ATOM 0 HB3 LYS A 2A 5.536 3.899 8.400 1.00 0.00 H new ATOM 0 HG2 LYS A 2A 4.136 4.461 10.155 1.00 0.00 H new ATOM 0 HG3 LYS A 2A 5.082 5.928 10.008 1.00 0.00 H new ATOM 0 HD2 LYS A 2A 2.671 6.429 10.222 1.00 0.00 H new ATOM 0 HD3 LYS A 2A 3.309 7.001 8.693 1.00 0.00 H new ATOM 0 HE2 LYS A 2A 1.046 5.750 8.662 1.00 0.00 H new ATOM 0 HE3 LYS A 2A 2.237 5.312 7.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 2A 1.046 3.469 8.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 2A 2.716 3.326 8.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 2A 2.140 3.844 10.016 1.00 0.00 H new ATOM 43 N LEU A 2B 6.616 5.975 5.180 1.00 0.00 N ATOM 44 CA LEU A 2B 7.203 5.487 3.938 1.00 0.00 C ATOM 45 C LEU A 2B 8.713 5.708 3.930 1.00 0.00 C ATOM 46 O LEU A 2B 9.183 6.845 3.887 1.00 0.00 O ATOM 47 CB LEU A 2B 6.565 6.189 2.736 1.00 0.00 C ATOM 48 CG LEU A 2B 5.480 5.385 2.014 1.00 0.00 C ATOM 49 CD1 LEU A 2B 4.440 4.880 3.003 1.00 0.00 C ATOM 50 CD2 LEU A 2B 4.824 6.228 0.927 1.00 0.00 C ATOM 0 H LEU A 2B 6.356 6.961 5.165 1.00 0.00 H new ATOM 0 HA LEU A 2B 7.009 4.417 3.868 1.00 0.00 H new ATOM 0 HB2 LEU A 2B 6.133 7.132 3.073 1.00 0.00 H new ATOM 0 HB3 LEU A 2B 7.349 6.435 2.020 1.00 0.00 H new ATOM 0 HG LEU A 2B 5.949 4.522 1.542 1.00 0.00 H new ATOM 0 HD11 LEU A 2B 3.678 4.311 2.471 1.00 0.00 H new ATOM 0 HD12 LEU A 2B 4.921 4.239 3.742 1.00 0.00 H new ATOM 0 HD13 LEU A 2B 3.975 5.728 3.506 1.00 0.00 H new ATOM 0 HD21 LEU A 2B 4.056 5.640 0.425 1.00 0.00 H new ATOM 0 HD22 LEU A 2B 4.370 7.111 1.376 1.00 0.00 H new ATOM 0 HD23 LEU A 2B 5.577 6.536 0.202 1.00 0.00 H new ATOM 62 N GLU A 3 9.469 4.615 3.973 1.00 0.00 N ATOM 63 CA GLU A 3 10.926 4.692 3.972 1.00 0.00 C ATOM 64 C GLU A 3 11.512 3.936 2.784 1.00 0.00 C ATOM 65 O GLU A 3 11.951 2.794 2.919 1.00 0.00 O ATOM 66 CB GLU A 3 11.489 4.129 5.278 1.00 0.00 C ATOM 67 CG GLU A 3 10.833 2.829 5.711 1.00 0.00 C ATOM 68 CD GLU A 3 11.555 2.169 6.869 1.00 0.00 C ATOM 69 OE1 GLU A 3 11.824 2.862 7.873 1.00 0.00 O ATOM 70 OE2 GLU A 3 11.851 0.959 6.773 1.00 0.00 O ATOM 0 H GLU A 3 9.097 3.666 4.009 1.00 0.00 H new ATOM 0 HA GLU A 3 11.208 5.741 3.885 1.00 0.00 H new ATOM 0 HB2 GLU A 3 12.560 3.965 5.161 1.00 0.00 H new ATOM 0 HB3 GLU A 3 11.364 4.870 6.067 1.00 0.00 H new ATOM 0 HG2 GLU A 3 9.800 3.025 5.997 1.00 0.00 H new ATOM 0 HG3 GLU A 3 10.805 2.141 4.866 1.00 0.00 H new ATOM 77 N GLY A 4 11.518 4.581 1.622 1.00 0.00 N ATOM 78 CA GLY A 4 12.055 3.954 0.428 1.00 0.00 C ATOM 79 C GLY A 4 11.273 2.721 0.017 1.00 0.00 C ATOM 80 O GLY A 4 10.878 1.919 0.863 1.00 0.00 O ATOM 0 H GLY A 4 11.161 5.527 1.486 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.049 4.674 -0.391 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.095 3.679 0.603 1.00 0.00 H new ATOM 84 N LYS A 5 11.049 2.571 -1.284 1.00 0.00 N ATOM 85 CA LYS A 5 10.309 1.427 -1.804 1.00 0.00 C ATOM 86 C LYS A 5 10.824 1.028 -3.186 1.00 0.00 C ATOM 87 O LYS A 5 11.840 1.544 -3.651 1.00 0.00 O ATOM 88 CB LYS A 5 8.814 1.750 -1.860 1.00 0.00 C ATOM 89 CG LYS A 5 8.085 1.481 -0.554 1.00 0.00 C ATOM 90 CD LYS A 5 7.688 0.019 -0.429 1.00 0.00 C ATOM 91 CE LYS A 5 8.787 -0.807 0.222 1.00 0.00 C ATOM 92 NZ LYS A 5 9.305 -1.863 -0.692 1.00 0.00 N ATOM 0 H LYS A 5 11.369 3.226 -1.997 1.00 0.00 H new ATOM 0 HA LYS A 5 10.461 0.583 -1.132 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.687 2.799 -2.128 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.353 1.160 -2.652 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.724 1.759 0.284 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.195 2.107 -0.497 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.775 -0.061 0.160 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.466 -0.384 -1.417 1.00 0.00 H new ATOM 0 HE2 LYS A 5 9.605 -0.152 0.520 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.403 -1.270 1.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.052 -2.403 -0.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.530 -2.504 -0.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.695 -1.420 -1.548 1.00 0.00 H new ATOM 106 N THR A 6 10.127 0.097 -3.832 1.00 0.00 N ATOM 107 CA THR A 6 10.529 -0.380 -5.154 1.00 0.00 C ATOM 108 C THR A 6 9.740 0.303 -6.269 1.00 0.00 C ATOM 109 O THR A 6 10.300 0.665 -7.303 1.00 0.00 O ATOM 110 CB THR A 6 10.346 -1.895 -5.247 1.00 0.00 C ATOM 111 OG1 THR A 6 10.413 -2.327 -6.595 1.00 0.00 O ATOM 112 CG2 THR A 6 9.031 -2.379 -4.675 1.00 0.00 C ATOM 0 H THR A 6 9.283 -0.342 -3.464 1.00 0.00 H new ATOM 0 HA THR A 6 11.582 -0.129 -5.285 1.00 0.00 H new ATOM 0 HB THR A 6 11.157 -2.318 -4.655 1.00 0.00 H new ATOM 0 HG1 THR A 6 10.295 -3.299 -6.633 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.968 -3.463 -4.774 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.970 -2.107 -3.621 1.00 0.00 H new ATOM 0 HG23 THR A 6 8.206 -1.917 -5.217 1.00 0.00 H new ATOM 120 N CYS A 7 8.438 0.464 -6.061 1.00 0.00 N ATOM 121 CA CYS A 7 7.577 1.091 -7.062 1.00 0.00 C ATOM 122 C CYS A 7 7.605 0.293 -8.362 1.00 0.00 C ATOM 123 O CYS A 7 8.465 -0.566 -8.554 1.00 0.00 O ATOM 124 CB CYS A 7 8.007 2.539 -7.340 1.00 0.00 C ATOM 125 SG CYS A 7 8.966 3.330 -6.006 1.00 0.00 S ATOM 0 H CYS A 7 7.955 0.171 -5.212 1.00 0.00 H new ATOM 0 HA CYS A 7 6.562 1.102 -6.664 1.00 0.00 H new ATOM 0 HB2 CYS A 7 8.602 2.556 -8.253 1.00 0.00 H new ATOM 0 HB3 CYS A 7 7.115 3.137 -7.529 1.00 0.00 H new ATOM 130 N GLY A 8 6.664 0.584 -9.256 1.00 0.00 N ATOM 131 CA GLY A 8 6.609 -0.115 -10.528 1.00 0.00 C ATOM 132 C GLY A 8 5.539 -1.192 -10.558 1.00 0.00 C ATOM 133 O GLY A 8 4.433 -0.953 -11.042 1.00 0.00 O ATOM 0 H GLY A 8 5.940 1.290 -9.123 1.00 0.00 H new ATOM 0 HA2 GLY A 8 6.418 0.604 -11.325 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.580 -0.567 -10.732 1.00 0.00 H new ATOM 137 N PRO A 9 5.842 -2.399 -10.045 1.00 0.00 N ATOM 138 CA PRO A 9 4.886 -3.515 -10.021 1.00 0.00 C ATOM 139 C PRO A 9 3.624 -3.166 -9.231 1.00 0.00 C ATOM 140 O PRO A 9 3.137 -2.039 -9.305 1.00 0.00 O ATOM 141 CB PRO A 9 5.671 -4.645 -9.337 1.00 0.00 C ATOM 142 CG PRO A 9 7.103 -4.271 -9.494 1.00 0.00 C ATOM 143 CD PRO A 9 7.136 -2.773 -9.452 1.00 0.00 C ATOM 0 HA PRO A 9 4.532 -3.781 -11.017 1.00 0.00 H new ATOM 0 HB2 PRO A 9 5.399 -4.733 -8.285 1.00 0.00 H new ATOM 0 HB3 PRO A 9 5.462 -5.608 -9.802 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.710 -4.699 -8.696 1.00 0.00 H new ATOM 0 HG3 PRO A 9 7.505 -4.646 -10.435 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.236 -2.400 -8.433 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.973 -2.371 -10.023 1.00 0.00 H new ATOM 151 N SER A 10 3.093 -4.131 -8.479 1.00 0.00 N ATOM 152 CA SER A 10 1.891 -3.904 -7.685 1.00 0.00 C ATOM 153 C SER A 10 2.130 -2.824 -6.632 1.00 0.00 C ATOM 154 O SER A 10 2.247 -3.116 -5.442 1.00 0.00 O ATOM 155 CB SER A 10 1.447 -5.203 -7.010 1.00 0.00 C ATOM 156 OG SER A 10 2.559 -6.030 -6.714 1.00 0.00 O ATOM 0 H SER A 10 3.477 -5.073 -8.405 1.00 0.00 H new ATOM 0 HA SER A 10 1.102 -3.564 -8.355 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.906 -4.973 -6.092 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.756 -5.737 -7.662 1.00 0.00 H new ATOM 0 HG SER A 10 2.310 -6.677 -6.021 1.00 0.00 H new ATOM 162 N SER A 11 2.206 -1.577 -7.083 1.00 0.00 N ATOM 163 CA SER A 11 2.433 -0.448 -6.192 1.00 0.00 C ATOM 164 C SER A 11 1.591 0.750 -6.616 1.00 0.00 C ATOM 165 O SER A 11 0.912 0.714 -7.642 1.00 0.00 O ATOM 166 CB SER A 11 3.916 -0.068 -6.187 1.00 0.00 C ATOM 167 OG SER A 11 4.236 0.757 -7.294 1.00 0.00 O ATOM 0 H SER A 11 2.113 -1.323 -8.066 1.00 0.00 H new ATOM 0 HA SER A 11 2.137 -0.742 -5.185 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.158 0.452 -5.260 1.00 0.00 H new ATOM 0 HB3 SER A 11 4.526 -0.971 -6.214 1.00 0.00 H new ATOM 0 HG SER A 11 4.427 1.666 -6.980 1.00 0.00 H new ATOM 173 N PHE A 12 1.642 1.811 -5.820 1.00 0.00 N ATOM 174 CA PHE A 12 0.886 3.023 -6.111 1.00 0.00 C ATOM 175 C PHE A 12 1.691 4.262 -5.733 1.00 0.00 C ATOM 176 O PHE A 12 1.961 4.502 -4.556 1.00 0.00 O ATOM 177 CB PHE A 12 -0.448 3.010 -5.357 1.00 0.00 C ATOM 178 CG PHE A 12 -1.174 4.327 -5.382 1.00 0.00 C ATOM 179 CD1 PHE A 12 -1.667 4.838 -6.572 1.00 0.00 C ATOM 180 CD2 PHE A 12 -1.357 5.053 -4.217 1.00 0.00 C ATOM 181 CE1 PHE A 12 -2.331 6.050 -6.598 1.00 0.00 C ATOM 182 CE2 PHE A 12 -2.021 6.265 -4.237 1.00 0.00 C ATOM 183 CZ PHE A 12 -2.508 6.764 -5.428 1.00 0.00 C ATOM 0 H PHE A 12 2.200 1.857 -4.967 1.00 0.00 H new ATOM 0 HA PHE A 12 0.686 3.054 -7.182 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.091 2.243 -5.789 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -0.266 2.726 -4.321 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.531 4.283 -7.489 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -0.977 4.668 -3.282 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.711 6.439 -7.531 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.159 6.821 -3.321 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.027 7.711 -5.446 1.00 0.00 H new ATOM 193 N SER A 13 2.068 5.050 -6.734 1.00 0.00 N ATOM 194 CA SER A 13 2.835 6.265 -6.493 1.00 0.00 C ATOM 195 C SER A 13 2.025 7.247 -5.655 1.00 0.00 C ATOM 196 O SER A 13 0.955 7.695 -6.067 1.00 0.00 O ATOM 197 CB SER A 13 3.241 6.913 -7.816 1.00 0.00 C ATOM 198 OG SER A 13 3.821 8.188 -7.604 1.00 0.00 O ATOM 0 H SER A 13 1.856 4.870 -7.715 1.00 0.00 H new ATOM 0 HA SER A 13 3.738 5.998 -5.944 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.950 6.270 -8.337 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.367 7.010 -8.460 1.00 0.00 H new ATOM 0 HG SER A 13 4.073 8.580 -8.466 1.00 0.00 H new ATOM 204 N CYS A 14 2.539 7.572 -4.474 1.00 0.00 N ATOM 205 CA CYS A 14 1.860 8.495 -3.571 1.00 0.00 C ATOM 206 C CYS A 14 1.521 9.808 -4.278 1.00 0.00 C ATOM 207 O CYS A 14 2.391 10.440 -4.876 1.00 0.00 O ATOM 208 CB CYS A 14 2.729 8.773 -2.346 1.00 0.00 C ATOM 209 SG CYS A 14 1.798 9.333 -0.882 1.00 0.00 S ATOM 0 H CYS A 14 3.424 7.210 -4.119 1.00 0.00 H new ATOM 0 HA CYS A 14 0.929 8.028 -3.251 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.277 7.866 -2.090 1.00 0.00 H new ATOM 0 HB3 CYS A 14 3.469 9.530 -2.604 1.00 0.00 H new ATOM 214 N PRO A 15 0.246 10.235 -4.221 1.00 0.00 N ATOM 215 CA PRO A 15 -0.200 11.475 -4.862 1.00 0.00 C ATOM 216 C PRO A 15 0.448 12.710 -4.251 1.00 0.00 C ATOM 217 O PRO A 15 0.380 12.926 -3.041 1.00 0.00 O ATOM 218 CB PRO A 15 -1.713 11.499 -4.616 1.00 0.00 C ATOM 219 CG PRO A 15 -2.071 10.108 -4.221 1.00 0.00 C ATOM 220 CD PRO A 15 -0.859 9.550 -3.537 1.00 0.00 C ATOM 0 HA PRO A 15 0.071 11.496 -5.917 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.972 12.209 -3.831 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.252 11.804 -5.513 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.933 10.101 -3.555 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.337 9.511 -5.093 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.865 9.761 -2.468 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -0.794 8.468 -3.648 1.00 0.00 H new ATOM 228 N GLY A 16 1.076 13.519 -5.096 1.00 0.00 N ATOM 229 CA GLY A 16 1.726 14.725 -4.621 1.00 0.00 C ATOM 230 C GLY A 16 3.164 14.484 -4.206 1.00 0.00 C ATOM 231 O GLY A 16 4.033 15.324 -4.442 1.00 0.00 O ATOM 0 H GLY A 16 1.147 13.361 -6.101 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.699 15.481 -5.405 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.169 15.125 -3.774 1.00 0.00 H new ATOM 235 N THR A 17 3.416 13.336 -3.586 1.00 0.00 N ATOM 236 CA THR A 17 4.757 12.988 -3.137 1.00 0.00 C ATOM 237 C THR A 17 5.407 11.989 -4.087 1.00 0.00 C ATOM 238 O THR A 17 4.807 10.977 -4.448 1.00 0.00 O ATOM 239 CB THR A 17 4.711 12.411 -1.721 1.00 0.00 C ATOM 240 OG1 THR A 17 3.700 11.426 -1.612 1.00 0.00 O ATOM 241 CG2 THR A 17 4.448 13.454 -0.659 1.00 0.00 C ATOM 0 H THR A 17 2.708 12.631 -3.383 1.00 0.00 H new ATOM 0 HA THR A 17 5.358 13.897 -3.130 1.00 0.00 H new ATOM 0 HB THR A 17 5.699 11.983 -1.553 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.732 11.022 -0.720 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.428 12.978 0.321 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.238 14.204 -0.682 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.488 13.933 -0.849 1.00 0.00 H new ATOM 249 N HIS A 18 6.641 12.281 -4.484 1.00 0.00 N ATOM 250 CA HIS A 18 7.385 11.414 -5.391 1.00 0.00 C ATOM 251 C HIS A 18 7.450 9.983 -4.861 1.00 0.00 C ATOM 252 O HIS A 18 7.662 9.039 -5.622 1.00 0.00 O ATOM 253 CB HIS A 18 8.801 11.956 -5.590 1.00 0.00 C ATOM 254 CG HIS A 18 9.513 12.245 -4.304 1.00 0.00 C ATOM 255 ND1 HIS A 18 10.433 11.397 -3.728 1.00 0.00 N ATOM 256 CD2 HIS A 18 9.420 13.315 -3.474 1.00 0.00 C ATOM 257 CE1 HIS A 18 10.859 11.965 -2.591 1.00 0.00 C ATOM 258 NE2 HIS A 18 10.275 13.130 -2.392 1.00 0.00 N ATOM 0 H HIS A 18 7.149 13.115 -4.190 1.00 0.00 H new ATOM 0 HA HIS A 18 6.862 11.400 -6.347 1.00 0.00 H new ATOM 0 HB2 HIS A 18 9.381 11.233 -6.164 1.00 0.00 H new ATOM 0 HB3 HIS A 18 8.753 12.869 -6.183 1.00 0.00 H new ATOM 0 HD2 HIS A 18 8.783 14.174 -3.629 1.00 0.00 H new ATOM 0 HE1 HIS A 18 11.586 11.525 -1.925 1.00 0.00 H new ATOM 0 HE2 HIS A 18 10.420 13.765 -1.607 1.00 0.00 H new ATOM 266 N VAL A 19 7.268 9.830 -3.553 1.00 0.00 N ATOM 267 CA VAL A 19 7.310 8.518 -2.924 1.00 0.00 C ATOM 268 C VAL A 19 6.279 7.575 -3.536 1.00 0.00 C ATOM 269 O VAL A 19 5.277 8.014 -4.101 1.00 0.00 O ATOM 270 CB VAL A 19 7.061 8.622 -1.407 1.00 0.00 C ATOM 271 CG1 VAL A 19 5.688 9.215 -1.128 1.00 0.00 C ATOM 272 CG2 VAL A 19 7.208 7.260 -0.745 1.00 0.00 C ATOM 0 H VAL A 19 7.090 10.601 -2.909 1.00 0.00 H new ATOM 0 HA VAL A 19 8.307 8.114 -3.098 1.00 0.00 H new ATOM 0 HB VAL A 19 7.811 9.289 -0.981 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.532 9.280 -0.051 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.627 10.212 -1.564 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.920 8.578 -1.568 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.028 7.355 0.326 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.485 6.567 -1.174 1.00 0.00 H new ATOM 0 HG23 VAL A 19 8.216 6.881 -0.912 1.00 0.00 H new ATOM 282 N CYS A 20 6.533 6.276 -3.416 1.00 0.00 N ATOM 283 CA CYS A 20 5.628 5.267 -3.951 1.00 0.00 C ATOM 284 C CYS A 20 5.147 4.334 -2.847 1.00 0.00 C ATOM 285 O CYS A 20 5.946 3.820 -2.064 1.00 0.00 O ATOM 286 CB CYS A 20 6.320 4.458 -5.050 1.00 0.00 C ATOM 287 SG CYS A 20 7.668 3.389 -4.450 1.00 0.00 S ATOM 0 H CYS A 20 7.359 5.898 -2.952 1.00 0.00 H new ATOM 0 HA CYS A 20 4.765 5.778 -4.377 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.577 3.840 -5.554 1.00 0.00 H new ATOM 0 HB3 CYS A 20 6.720 5.146 -5.795 1.00 0.00 H new ATOM 292 N VAL A 21 3.840 4.115 -2.791 1.00 0.00 N ATOM 293 CA VAL A 21 3.262 3.240 -1.783 1.00 0.00 C ATOM 294 C VAL A 21 2.737 1.951 -2.422 1.00 0.00 C ATOM 295 O VAL A 21 1.851 1.985 -3.275 1.00 0.00 O ATOM 296 CB VAL A 21 2.133 3.949 -1.011 1.00 0.00 C ATOM 297 CG1 VAL A 21 1.113 4.547 -1.967 1.00 0.00 C ATOM 298 CG2 VAL A 21 1.465 3.000 -0.029 1.00 0.00 C ATOM 0 H VAL A 21 3.163 4.531 -3.430 1.00 0.00 H new ATOM 0 HA VAL A 21 4.050 2.984 -1.075 1.00 0.00 H new ATOM 0 HB VAL A 21 2.578 4.764 -0.440 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.327 5.042 -1.397 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.604 5.274 -2.615 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.677 3.755 -2.576 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.672 3.526 0.503 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.040 2.155 -0.571 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.203 2.638 0.686 1.00 0.00 H new ATOM 308 N PRO A 22 3.293 0.795 -2.019 1.00 0.00 N ATOM 309 CA PRO A 22 2.898 -0.514 -2.556 1.00 0.00 C ATOM 310 C PRO A 22 1.395 -0.757 -2.492 1.00 0.00 C ATOM 311 O PRO A 22 0.684 -0.129 -1.707 1.00 0.00 O ATOM 312 CB PRO A 22 3.633 -1.503 -1.650 1.00 0.00 C ATOM 313 CG PRO A 22 4.816 -0.749 -1.155 1.00 0.00 C ATOM 314 CD PRO A 22 4.365 0.676 -1.014 1.00 0.00 C ATOM 0 HA PRO A 22 3.148 -0.604 -3.613 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.000 -1.832 -0.826 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.933 -2.396 -2.198 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.161 -1.146 -0.200 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.650 -0.828 -1.853 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.999 0.884 -0.009 1.00 0.00 H new ATOM 0 HD3 PRO A 22 5.178 1.376 -1.208 1.00 0.00 H new ATOM 322 N GLU A 23 0.920 -1.681 -3.324 1.00 0.00 N ATOM 323 CA GLU A 23 -0.497 -2.020 -3.366 1.00 0.00 C ATOM 324 C GLU A 23 -0.943 -2.640 -2.046 1.00 0.00 C ATOM 325 O GLU A 23 -2.091 -2.484 -1.632 1.00 0.00 O ATOM 326 CB GLU A 23 -0.780 -2.983 -4.521 1.00 0.00 C ATOM 327 CG GLU A 23 -2.051 -2.655 -5.286 1.00 0.00 C ATOM 328 CD GLU A 23 -2.322 -3.632 -6.413 1.00 0.00 C ATOM 329 OE1 GLU A 23 -2.455 -4.841 -6.131 1.00 0.00 O ATOM 330 OE2 GLU A 23 -2.400 -3.187 -7.578 1.00 0.00 O ATOM 0 H GLU A 23 1.498 -2.208 -3.978 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.062 -1.102 -3.526 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.064 -2.968 -5.211 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.853 -3.997 -4.128 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.896 -2.657 -4.597 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.975 -1.647 -5.694 1.00 0.00 H new ATOM 337 N ARG A 24 -0.027 -3.336 -1.384 1.00 0.00 N ATOM 338 CA ARG A 24 -0.329 -3.967 -0.106 1.00 0.00 C ATOM 339 C ARG A 24 -0.479 -2.907 0.984 1.00 0.00 C ATOM 340 O ARG A 24 -1.123 -3.137 2.007 1.00 0.00 O ATOM 341 CB ARG A 24 0.770 -4.977 0.258 1.00 0.00 C ATOM 342 CG ARG A 24 0.923 -5.240 1.751 1.00 0.00 C ATOM 343 CD ARG A 24 -0.292 -5.951 2.322 1.00 0.00 C ATOM 344 NE ARG A 24 -0.080 -6.376 3.705 1.00 0.00 N ATOM 345 CZ ARG A 24 -0.783 -5.926 4.744 1.00 0.00 C ATOM 346 NH1 ARG A 24 -1.743 -5.023 4.574 1.00 0.00 N ATOM 347 NH2 ARG A 24 -0.522 -6.380 5.963 1.00 0.00 N ATOM 0 H ARG A 24 0.929 -3.477 -1.710 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.273 -4.505 -0.190 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.558 -5.921 -0.244 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.721 -4.615 -0.133 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.814 -5.844 1.925 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.071 -4.295 2.274 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.155 -5.287 2.275 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.525 -6.821 1.707 1.00 0.00 H new ATOM 0 HE ARG A 24 0.653 -7.061 3.886 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.949 -4.667 3.641 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.274 -4.686 5.377 1.00 0.00 H new ATOM 0 HH21 ARG A 24 0.215 -7.071 6.103 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.058 -6.038 6.760 1.00 0.00 H new ATOM 361 N TRP A 25 0.118 -1.742 0.755 1.00 0.00 N ATOM 362 CA TRP A 25 0.047 -0.648 1.712 1.00 0.00 C ATOM 363 C TRP A 25 -1.191 0.214 1.466 1.00 0.00 C ATOM 364 O TRP A 25 -1.501 1.105 2.255 1.00 0.00 O ATOM 365 CB TRP A 25 1.309 0.214 1.623 1.00 0.00 C ATOM 366 CG TRP A 25 2.577 -0.533 1.915 1.00 0.00 C ATOM 367 CD1 TRP A 25 2.760 -1.887 1.900 1.00 0.00 C ATOM 368 CD2 TRP A 25 3.845 0.038 2.262 1.00 0.00 C ATOM 369 NE1 TRP A 25 4.063 -2.192 2.214 1.00 0.00 N ATOM 370 CE2 TRP A 25 4.749 -1.027 2.440 1.00 0.00 C ATOM 371 CE3 TRP A 25 4.303 1.347 2.438 1.00 0.00 C ATOM 372 CZ2 TRP A 25 6.084 -0.821 2.783 1.00 0.00 C ATOM 373 CZ3 TRP A 25 5.627 1.549 2.780 1.00 0.00 C ATOM 374 CH2 TRP A 25 6.503 0.471 2.948 1.00 0.00 C ATOM 0 H TRP A 25 0.656 -1.533 -0.086 1.00 0.00 H new ATOM 0 HA TRP A 25 -0.025 -1.076 2.712 1.00 0.00 H new ATOM 0 HB2 TRP A 25 1.374 0.644 0.623 1.00 0.00 H new ATOM 0 HB3 TRP A 25 1.219 1.045 2.322 1.00 0.00 H new ATOM 0 HD1 TRP A 25 1.992 -2.612 1.674 1.00 0.00 H new ATOM 0 HE1 TRP A 25 4.455 -3.132 2.270 1.00 0.00 H new ATOM 0 HE3 TRP A 25 3.634 2.185 2.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 6.763 -1.651 2.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 5.991 2.556 2.920 1.00 0.00 H new ATOM 0 HH2 TRP A 25 7.532 0.663 3.214 1.00 0.00 H new ATOM 385 N LEU A 26 -1.897 -0.054 0.369 1.00 0.00 N ATOM 386 CA LEU A 26 -3.096 0.702 0.033 1.00 0.00 C ATOM 387 C LEU A 26 -4.167 0.525 1.103 1.00 0.00 C ATOM 388 O LEU A 26 -4.497 1.464 1.822 1.00 0.00 O ATOM 389 CB LEU A 26 -3.637 0.263 -1.330 1.00 0.00 C ATOM 390 CG LEU A 26 -3.236 1.154 -2.509 1.00 0.00 C ATOM 391 CD1 LEU A 26 -1.761 1.529 -2.433 1.00 0.00 C ATOM 392 CD2 LEU A 26 -3.542 0.457 -3.824 1.00 0.00 C ATOM 0 H LEU A 26 -1.658 -0.787 -0.299 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.829 1.758 -0.015 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.294 -0.752 -1.529 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.725 0.227 -1.276 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.820 2.073 -2.456 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.502 2.162 -3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.570 2.070 -1.506 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.154 0.624 -2.457 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.252 1.102 -4.654 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.984 -0.478 -3.879 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.610 0.246 -3.884 1.00 0.00 H new ATOM 404 N CYS A 27 -4.704 -0.685 1.201 1.00 0.00 N ATOM 405 CA CYS A 27 -5.740 -0.986 2.183 1.00 0.00 C ATOM 406 C CYS A 27 -5.177 -1.814 3.335 1.00 0.00 C ATOM 407 O CYS A 27 -5.757 -2.827 3.728 1.00 0.00 O ATOM 408 CB CYS A 27 -6.897 -1.734 1.517 1.00 0.00 C ATOM 409 SG CYS A 27 -7.405 -1.041 -0.087 1.00 0.00 S ATOM 0 H CYS A 27 -4.439 -1.475 0.612 1.00 0.00 H new ATOM 0 HA CYS A 27 -6.109 -0.043 2.587 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -6.608 -2.776 1.376 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -7.754 -1.729 2.190 1.00 0.00 H new ATOM 414 N ASP A 28 -4.044 -1.376 3.872 1.00 0.00 N ATOM 415 CA ASP A 28 -3.403 -2.075 4.980 1.00 0.00 C ATOM 416 C ASP A 28 -4.087 -1.735 6.304 1.00 0.00 C ATOM 417 O ASP A 28 -4.032 -2.510 7.258 1.00 0.00 O ATOM 418 CB ASP A 28 -1.905 -1.726 5.025 1.00 0.00 C ATOM 419 CG ASP A 28 -1.421 -1.297 6.401 1.00 0.00 C ATOM 420 OD1 ASP A 28 -1.852 -0.224 6.873 1.00 0.00 O ATOM 421 OD2 ASP A 28 -0.613 -2.035 7.002 1.00 0.00 O ATOM 0 H ASP A 28 -3.550 -0.540 3.558 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.503 -3.149 4.823 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.329 -2.592 4.700 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.705 -0.925 4.313 1.00 0.00 H new ATOM 426 N GLY A 29 -4.729 -0.572 6.353 1.00 0.00 N ATOM 427 CA GLY A 29 -5.411 -0.152 7.562 1.00 0.00 C ATOM 428 C GLY A 29 -4.785 1.080 8.189 1.00 0.00 C ATOM 429 O GLY A 29 -5.056 1.401 9.346 1.00 0.00 O ATOM 0 H GLY A 29 -4.789 0.087 5.576 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.456 0.054 7.332 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.398 -0.969 8.284 1.00 0.00 H new ATOM 433 N ASP A 30 -3.946 1.773 7.424 1.00 0.00 N ATOM 434 CA ASP A 30 -3.282 2.977 7.912 1.00 0.00 C ATOM 435 C ASP A 30 -2.875 3.880 6.752 1.00 0.00 C ATOM 436 O ASP A 30 -2.484 3.401 5.690 1.00 0.00 O ATOM 437 CB ASP A 30 -2.052 2.606 8.742 1.00 0.00 C ATOM 438 CG ASP A 30 -2.401 2.278 10.180 1.00 0.00 C ATOM 439 OD1 ASP A 30 -3.435 2.781 10.670 1.00 0.00 O ATOM 440 OD2 ASP A 30 -1.642 1.519 10.817 1.00 0.00 O ATOM 0 H ASP A 30 -3.710 1.521 6.464 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.985 3.520 8.543 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.556 1.749 8.287 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.342 3.433 8.723 1.00 0.00 H new ATOM 445 N LYS A 31 -2.971 5.188 6.958 1.00 0.00 N ATOM 446 CA LYS A 31 -2.613 6.149 5.921 1.00 0.00 C ATOM 447 C LYS A 31 -1.099 6.247 5.768 1.00 0.00 C ATOM 448 O LYS A 31 -0.463 7.139 6.329 1.00 0.00 O ATOM 449 CB LYS A 31 -3.197 7.522 6.247 1.00 0.00 C ATOM 450 CG LYS A 31 -4.715 7.548 6.237 1.00 0.00 C ATOM 451 CD LYS A 31 -5.252 8.957 6.426 1.00 0.00 C ATOM 452 CE LYS A 31 -6.470 9.212 5.553 1.00 0.00 C ATOM 453 NZ LYS A 31 -7.730 9.219 6.347 1.00 0.00 N ATOM 0 H LYS A 31 -3.293 5.607 7.831 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.031 5.800 4.977 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.842 7.836 7.228 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.824 8.248 5.525 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.080 7.142 5.293 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.096 6.904 7.029 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.515 9.110 7.473 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.473 9.680 6.185 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.357 10.168 5.043 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.531 8.444 4.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.537 9.396 5.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.851 8.298 6.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.683 9.968 7.067 1.00 0.00 H new ATOM 467 N ASP A 32 -0.532 5.323 5.003 1.00 0.00 N ATOM 468 CA ASP A 32 0.908 5.298 4.769 1.00 0.00 C ATOM 469 C ASP A 32 1.346 6.476 3.901 1.00 0.00 C ATOM 470 O ASP A 32 2.531 6.800 3.834 1.00 0.00 O ATOM 471 CB ASP A 32 1.316 3.980 4.109 1.00 0.00 C ATOM 472 CG ASP A 32 2.191 3.128 5.009 1.00 0.00 C ATOM 473 OD1 ASP A 32 3.424 3.325 4.999 1.00 0.00 O ATOM 474 OD2 ASP A 32 1.642 2.264 5.725 1.00 0.00 O ATOM 0 H ASP A 32 -1.048 4.579 4.533 1.00 0.00 H new ATOM 0 HA ASP A 32 1.407 5.382 5.735 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.421 3.419 3.841 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.850 4.191 3.182 1.00 0.00 H new ATOM 479 N CYS A 33 0.389 7.119 3.241 1.00 0.00 N ATOM 480 CA CYS A 33 0.690 8.263 2.391 1.00 0.00 C ATOM 481 C CYS A 33 0.492 9.564 3.160 1.00 0.00 C ATOM 482 O CYS A 33 -0.041 9.565 4.269 1.00 0.00 O ATOM 483 CB CYS A 33 -0.191 8.250 1.140 1.00 0.00 C ATOM 484 SG CYS A 33 0.675 7.720 -0.374 1.00 0.00 S ATOM 0 H CYS A 33 -0.599 6.868 3.279 1.00 0.00 H new ATOM 0 HA CYS A 33 1.733 8.195 2.082 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.038 7.586 1.312 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.596 9.250 0.983 1.00 0.00 H new ATOM 489 N ALA A 34 0.927 10.668 2.567 1.00 0.00 N ATOM 490 CA ALA A 34 0.801 11.975 3.198 1.00 0.00 C ATOM 491 C ALA A 34 -0.651 12.292 3.540 1.00 0.00 C ATOM 492 O ALA A 34 -0.936 12.924 4.557 1.00 0.00 O ATOM 493 CB ALA A 34 1.373 13.050 2.290 1.00 0.00 C ATOM 0 H ALA A 34 1.371 10.684 1.649 1.00 0.00 H new ATOM 0 HA ALA A 34 1.366 11.954 4.130 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.274 14.023 2.771 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.427 12.844 2.101 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.830 13.055 1.345 1.00 0.00 H new ATOM 499 N ASP A 35 -1.566 11.853 2.682 1.00 0.00 N ATOM 500 CA ASP A 35 -2.989 12.097 2.892 1.00 0.00 C ATOM 501 C ASP A 35 -3.791 10.800 2.819 1.00 0.00 C ATOM 502 O ASP A 35 -4.927 10.789 2.345 1.00 0.00 O ATOM 503 CB ASP A 35 -3.512 13.097 1.857 1.00 0.00 C ATOM 504 CG ASP A 35 -4.125 14.327 2.499 1.00 0.00 C ATOM 505 OD1 ASP A 35 -3.375 15.108 3.121 1.00 0.00 O ATOM 506 OD2 ASP A 35 -5.355 14.509 2.378 1.00 0.00 O ATOM 0 H ASP A 35 -1.348 11.327 1.836 1.00 0.00 H new ATOM 0 HA ASP A 35 -3.114 12.516 3.891 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.694 13.401 1.204 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -4.257 12.609 1.229 1.00 0.00 H new ATOM 511 N GLY A 36 -3.197 9.709 3.293 1.00 0.00 N ATOM 512 CA GLY A 36 -3.879 8.428 3.271 1.00 0.00 C ATOM 513 C GLY A 36 -4.278 8.000 1.873 1.00 0.00 C ATOM 514 O GLY A 36 -5.223 7.231 1.700 1.00 0.00 O ATOM 0 H GLY A 36 -2.258 9.689 3.691 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.230 7.668 3.708 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.770 8.485 3.897 1.00 0.00 H new ATOM 518 N ALA A 37 -3.553 8.491 0.873 1.00 0.00 N ATOM 519 CA ALA A 37 -3.836 8.146 -0.515 1.00 0.00 C ATOM 520 C ALA A 37 -3.838 6.635 -0.707 1.00 0.00 C ATOM 521 O ALA A 37 -4.622 6.097 -1.489 1.00 0.00 O ATOM 522 CB ALA A 37 -2.821 8.796 -1.438 1.00 0.00 C ATOM 0 H ALA A 37 -2.766 9.128 0.998 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.828 8.523 -0.766 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.045 8.529 -2.471 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.867 9.879 -1.325 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.821 8.447 -1.182 1.00 0.00 H new ATOM 528 N ASP A 38 -2.963 5.955 0.026 1.00 0.00 N ATOM 529 CA ASP A 38 -2.870 4.504 -0.048 1.00 0.00 C ATOM 530 C ASP A 38 -4.183 3.876 0.402 1.00 0.00 C ATOM 531 O ASP A 38 -4.673 2.925 -0.206 1.00 0.00 O ATOM 532 CB ASP A 38 -1.714 4.004 0.824 1.00 0.00 C ATOM 533 CG ASP A 38 -1.928 4.300 2.296 1.00 0.00 C ATOM 534 OD1 ASP A 38 -2.357 5.427 2.618 1.00 0.00 O ATOM 535 OD2 ASP A 38 -1.667 3.404 3.126 1.00 0.00 O ATOM 0 H ASP A 38 -2.308 6.387 0.678 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.677 4.213 -1.081 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.597 2.929 0.686 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.786 4.470 0.494 1.00 0.00 H new ATOM 540 N GLU A 39 -4.754 4.432 1.464 1.00 0.00 N ATOM 541 CA GLU A 39 -6.022 3.946 1.995 1.00 0.00 C ATOM 542 C GLU A 39 -7.198 4.633 1.302 1.00 0.00 C ATOM 543 O GLU A 39 -8.358 4.329 1.580 1.00 0.00 O ATOM 544 CB GLU A 39 -6.093 4.180 3.505 1.00 0.00 C ATOM 545 CG GLU A 39 -4.812 3.815 4.238 1.00 0.00 C ATOM 546 CD GLU A 39 -4.624 2.317 4.374 1.00 0.00 C ATOM 547 OE1 GLU A 39 -5.596 1.628 4.747 1.00 0.00 O ATOM 548 OE2 GLU A 39 -3.503 1.832 4.107 1.00 0.00 O ATOM 0 H GLU A 39 -4.358 5.221 1.975 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.083 2.875 1.801 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.322 5.229 3.691 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.916 3.596 3.916 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.960 4.237 3.705 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.824 4.267 5.230 1.00 0.00 H new ATOM 555 N SER A 40 -6.889 5.556 0.394 1.00 0.00 N ATOM 556 CA SER A 40 -7.914 6.279 -0.344 1.00 0.00 C ATOM 557 C SER A 40 -8.222 5.579 -1.659 1.00 0.00 C ATOM 558 O SER A 40 -7.493 4.683 -2.084 1.00 0.00 O ATOM 559 CB SER A 40 -7.466 7.717 -0.611 1.00 0.00 C ATOM 560 OG SER A 40 -7.128 8.379 0.596 1.00 0.00 O ATOM 0 H SER A 40 -5.933 5.819 0.153 1.00 0.00 H new ATOM 0 HA SER A 40 -8.820 6.298 0.262 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.606 7.715 -1.281 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.263 8.261 -1.117 1.00 0.00 H new ATOM 0 HG SER A 40 -6.634 7.765 1.179 1.00 0.00 H new ATOM 566 N ILE A 41 -9.305 5.994 -2.299 1.00 0.00 N ATOM 567 CA ILE A 41 -9.712 5.410 -3.565 1.00 0.00 C ATOM 568 C ILE A 41 -8.770 5.823 -4.691 1.00 0.00 C ATOM 569 O ILE A 41 -8.652 5.131 -5.702 1.00 0.00 O ATOM 570 CB ILE A 41 -11.151 5.816 -3.920 1.00 0.00 C ATOM 571 CG1 ILE A 41 -11.665 4.968 -5.079 1.00 0.00 C ATOM 572 CG2 ILE A 41 -11.224 7.298 -4.256 1.00 0.00 C ATOM 573 CD1 ILE A 41 -12.170 3.611 -4.647 1.00 0.00 C ATOM 0 H ILE A 41 -9.918 6.735 -1.960 1.00 0.00 H new ATOM 0 HA ILE A 41 -9.668 4.327 -3.452 1.00 0.00 H new ATOM 0 HB ILE A 41 -11.788 5.638 -3.054 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -12.469 5.504 -5.584 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -10.864 4.836 -5.807 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -12.251 7.565 -4.504 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -10.895 7.883 -3.397 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -10.578 7.510 -5.108 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -12.521 3.059 -5.519 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.362 3.058 -4.168 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -12.992 3.736 -3.942 1.00 0.00 H new ATOM 585 N ALA A 42 -8.094 6.954 -4.504 1.00 0.00 N ATOM 586 CA ALA A 42 -7.153 7.461 -5.496 1.00 0.00 C ATOM 587 C ALA A 42 -6.178 6.372 -5.934 1.00 0.00 C ATOM 588 O ALA A 42 -5.659 6.399 -7.050 1.00 0.00 O ATOM 589 CB ALA A 42 -6.393 8.649 -4.931 1.00 0.00 C ATOM 0 H ALA A 42 -8.182 7.537 -3.672 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.718 7.781 -6.371 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.692 9.021 -5.678 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.096 9.439 -4.667 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.844 8.340 -4.041 1.00 0.00 H new ATOM 595 N ALA A 43 -5.936 5.418 -5.042 1.00 0.00 N ATOM 596 CA ALA A 43 -5.025 4.317 -5.322 1.00 0.00 C ATOM 597 C ALA A 43 -5.777 3.090 -5.826 1.00 0.00 C ATOM 598 O ALA A 43 -5.204 2.229 -6.494 1.00 0.00 O ATOM 599 CB ALA A 43 -4.235 3.969 -4.071 1.00 0.00 C ATOM 0 H ALA A 43 -6.361 5.386 -4.115 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.339 4.635 -6.107 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.555 3.145 -4.287 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.661 4.838 -3.750 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.922 3.674 -3.277 1.00 0.00 H new ATOM 605 N GLY A 44 -7.062 3.011 -5.494 1.00 0.00 N ATOM 606 CA GLY A 44 -7.868 1.880 -5.913 1.00 0.00 C ATOM 607 C GLY A 44 -8.203 0.966 -4.754 1.00 0.00 C ATOM 608 O GLY A 44 -8.270 -0.254 -4.910 1.00 0.00 O ATOM 0 H GLY A 44 -7.559 3.710 -4.942 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.790 2.240 -6.369 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.333 1.316 -6.677 1.00 0.00 H new ATOM 612 N CYS A 45 -8.409 1.563 -3.585 1.00 0.00 N ATOM 613 CA CYS A 45 -8.734 0.809 -2.380 1.00 0.00 C ATOM 614 C CYS A 45 -10.214 0.419 -2.342 1.00 0.00 C ATOM 615 O CYS A 45 -10.668 -0.216 -1.391 1.00 0.00 O ATOM 616 CB CYS A 45 -8.383 1.638 -1.142 1.00 0.00 C ATOM 617 SG CYS A 45 -8.338 0.690 0.412 1.00 0.00 S ATOM 0 H CYS A 45 -8.356 2.572 -3.446 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.146 -0.109 -2.388 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.410 2.105 -1.297 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -9.111 2.443 -1.041 1.00 0.00 H new ATOM 622 N LEU A 46 -10.963 0.806 -3.374 1.00 0.00 N ATOM 623 CA LEU A 46 -12.390 0.499 -3.448 1.00 0.00 C ATOM 624 C LEU A 46 -13.177 1.254 -2.377 1.00 0.00 C ATOM 625 O LEU A 46 -14.351 0.967 -2.142 1.00 0.00 O ATOM 626 CB LEU A 46 -12.630 -1.008 -3.300 1.00 0.00 C ATOM 627 CG LEU A 46 -11.742 -1.915 -4.163 1.00 0.00 C ATOM 628 CD1 LEU A 46 -11.318 -1.212 -5.446 1.00 0.00 C ATOM 629 CD2 LEU A 46 -10.525 -2.375 -3.375 1.00 0.00 C ATOM 0 H LEU A 46 -10.605 1.333 -4.170 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.742 0.821 -4.428 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.485 -1.279 -2.254 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -13.672 -1.216 -3.542 1.00 0.00 H new ATOM 0 HG LEU A 46 -12.327 -2.792 -4.441 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.690 -1.879 -6.036 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -12.203 -0.942 -6.022 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.757 -0.311 -5.199 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.907 -3.017 -4.002 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.945 -1.507 -3.061 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.850 -2.931 -2.496 1.00 0.00 H new ATOM 641 N TYR A 47 -12.527 2.220 -1.734 1.00 0.00 N ATOM 642 CA TYR A 47 -13.166 3.016 -0.693 1.00 0.00 C ATOM 643 C TYR A 47 -12.198 4.068 -0.160 1.00 0.00 C ATOM 644 O TYR A 47 -11.123 4.275 -0.722 1.00 0.00 O ATOM 645 CB TYR A 47 -13.650 2.118 0.449 1.00 0.00 C ATOM 646 CG TYR A 47 -12.530 1.456 1.220 1.00 0.00 C ATOM 647 CD1 TYR A 47 -11.913 2.106 2.282 1.00 0.00 C ATOM 648 CD2 TYR A 47 -12.090 0.183 0.885 1.00 0.00 C ATOM 649 CE1 TYR A 47 -10.890 1.505 2.988 1.00 0.00 C ATOM 650 CE2 TYR A 47 -11.068 -0.426 1.587 1.00 0.00 C ATOM 651 CZ TYR A 47 -10.471 0.239 2.637 1.00 0.00 C ATOM 652 OH TYR A 47 -9.451 -0.364 3.338 1.00 0.00 O ATOM 0 H TYR A 47 -11.555 2.470 -1.917 1.00 0.00 H new ATOM 0 HA TYR A 47 -14.029 3.521 -1.128 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -14.251 2.713 1.137 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -14.303 1.347 0.041 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -12.239 3.097 2.560 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -12.554 -0.340 0.062 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -10.420 2.024 3.811 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.738 -1.418 1.315 1.00 0.00 H new ATOM 0 HH TYR A 47 -9.568 -1.337 3.314 1.00 0.00 H new ATOM 662 N ASN A 48 -12.583 4.729 0.926 1.00 0.00 N ATOM 663 CA ASN A 48 -11.741 5.756 1.529 1.00 0.00 C ATOM 664 C ASN A 48 -12.393 6.328 2.785 1.00 0.00 C ATOM 665 O ASN A 48 -11.718 6.594 3.779 1.00 0.00 O ATOM 666 CB ASN A 48 -11.467 6.872 0.518 1.00 0.00 C ATOM 667 CG ASN A 48 -10.687 8.029 1.115 1.00 0.00 C ATOM 668 OD1 ASN A 48 -10.995 9.194 0.866 1.00 0.00 O ATOM 669 ND2 ASN A 48 -9.670 7.711 1.907 1.00 0.00 N ATOM 0 H ASN A 48 -13.470 4.573 1.406 1.00 0.00 H new ATOM 0 HA ASN A 48 -10.795 5.298 1.817 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.912 6.463 -0.326 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -12.415 7.242 0.127 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -9.109 8.446 2.336 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.450 6.731 2.086 1.00 0.00 H new ATOM 744 N SER A 56 -14.364 -2.777 1.906 1.00 0.00 N ATOM 745 CA SER A 56 -14.618 -3.532 0.684 1.00 0.00 C ATOM 746 C SER A 56 -14.942 -4.988 1.007 1.00 0.00 C ATOM 747 O SER A 56 -16.057 -5.453 0.772 1.00 0.00 O ATOM 748 CB SER A 56 -13.407 -3.452 -0.250 1.00 0.00 C ATOM 749 OG SER A 56 -13.295 -4.615 -1.054 1.00 0.00 O ATOM 0 HA SER A 56 -15.479 -3.092 0.181 1.00 0.00 H new ATOM 0 HB2 SER A 56 -13.496 -2.573 -0.889 1.00 0.00 H new ATOM 0 HB3 SER A 56 -12.499 -3.327 0.339 1.00 0.00 H new ATOM 0 HG SER A 56 -12.514 -4.533 -1.640 1.00 0.00 H new ATOM 755 N GLY A 57 -13.960 -5.702 1.549 1.00 0.00 N ATOM 756 CA GLY A 57 -14.163 -7.096 1.897 1.00 0.00 C ATOM 757 C GLY A 57 -13.097 -8.004 1.316 1.00 0.00 C ATOM 758 O GLY A 57 -11.908 -7.691 1.369 1.00 0.00 O ATOM 0 H GLY A 57 -13.028 -5.340 1.753 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -14.170 -7.198 2.982 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -15.142 -7.417 1.540 1.00 0.00 H new ATOM 762 N SER A 129 -13.525 -9.134 0.762 1.00 0.00 N ATOM 763 CA SER A 129 -12.603 -10.096 0.169 1.00 0.00 C ATOM 764 C SER A 129 -11.750 -9.445 -0.915 1.00 0.00 C ATOM 765 O SER A 129 -10.529 -9.605 -0.936 1.00 0.00 O ATOM 766 CB SER A 129 -13.376 -11.278 -0.419 1.00 0.00 C ATOM 767 OG SER A 129 -13.908 -12.101 0.606 1.00 0.00 O ATOM 0 H SER A 129 -14.507 -9.406 0.711 1.00 0.00 H new ATOM 0 HA SER A 129 -11.941 -10.455 0.957 1.00 0.00 H new ATOM 0 HB2 SER A 129 -14.185 -10.910 -1.050 1.00 0.00 H new ATOM 0 HB3 SER A 129 -12.717 -11.867 -1.057 1.00 0.00 H new ATOM 0 HG SER A 129 -14.399 -12.848 0.204 1.00 0.00 H new ATOM 773 N THR A 130 -12.398 -8.713 -1.816 1.00 0.00 N ATOM 774 CA THR A 130 -11.694 -8.042 -2.903 1.00 0.00 C ATOM 775 C THR A 130 -10.556 -7.176 -2.370 1.00 0.00 C ATOM 776 O THR A 130 -9.511 -7.047 -3.007 1.00 0.00 O ATOM 777 CB THR A 130 -12.662 -7.184 -3.717 1.00 0.00 C ATOM 778 OG1 THR A 130 -13.923 -7.819 -3.833 1.00 0.00 O ATOM 779 CG2 THR A 130 -12.163 -6.892 -5.115 1.00 0.00 C ATOM 0 H THR A 130 -13.408 -8.570 -1.815 1.00 0.00 H new ATOM 0 HA THR A 130 -11.269 -8.810 -3.549 1.00 0.00 H new ATOM 0 HB THR A 130 -12.746 -6.244 -3.172 1.00 0.00 H new ATOM 0 HG1 THR A 130 -14.528 -7.252 -4.356 1.00 0.00 H new ATOM 0 HG21 THR A 130 -12.895 -6.279 -5.642 1.00 0.00 H new ATOM 0 HG22 THR A 130 -11.215 -6.357 -5.059 1.00 0.00 H new ATOM 0 HG23 THR A 130 -12.020 -7.829 -5.653 1.00 0.00 H new ATOM 787 N GLU A 131 -10.765 -6.588 -1.197 1.00 0.00 N ATOM 788 CA GLU A 131 -9.753 -5.740 -0.578 1.00 0.00 C ATOM 789 C GLU A 131 -8.459 -6.514 -0.362 1.00 0.00 C ATOM 790 O GLU A 131 -7.391 -6.099 -0.812 1.00 0.00 O ATOM 791 CB GLU A 131 -10.260 -5.195 0.758 1.00 0.00 C ATOM 792 CG GLU A 131 -9.411 -4.062 1.312 1.00 0.00 C ATOM 793 CD GLU A 131 -9.435 -4.003 2.827 1.00 0.00 C ATOM 794 OE1 GLU A 131 -10.404 -4.516 3.426 1.00 0.00 O ATOM 795 OE2 GLU A 131 -8.485 -3.444 3.415 1.00 0.00 O ATOM 0 H GLU A 131 -11.625 -6.683 -0.656 1.00 0.00 H new ATOM 0 HA GLU A 131 -9.553 -4.906 -1.250 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -11.284 -4.843 0.633 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -10.288 -6.006 1.485 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -8.382 -4.184 0.973 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -9.769 -3.114 0.909 1.00 0.00 H new ATOM 802 N GLU A 132 -8.565 -7.643 0.329 1.00 0.00 N ATOM 803 CA GLU A 132 -7.406 -8.480 0.605 1.00 0.00 C ATOM 804 C GLU A 132 -6.894 -9.132 -0.673 1.00 0.00 C ATOM 805 O GLU A 132 -5.702 -9.372 -0.824 1.00 0.00 O ATOM 806 CB GLU A 132 -7.755 -9.561 1.633 1.00 0.00 C ATOM 807 CG GLU A 132 -8.702 -9.086 2.725 1.00 0.00 C ATOM 808 CD GLU A 132 -8.235 -9.476 4.114 1.00 0.00 C ATOM 809 OE1 GLU A 132 -8.078 -10.689 4.368 1.00 0.00 O ATOM 810 OE2 GLU A 132 -8.026 -8.569 4.946 1.00 0.00 O ATOM 0 H GLU A 132 -9.442 -7.999 0.708 1.00 0.00 H new ATOM 0 HA GLU A 132 -6.621 -7.843 1.013 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -8.206 -10.408 1.117 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -6.835 -9.922 2.094 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -8.799 -8.002 2.670 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -9.693 -9.504 2.548 1.00 0.00 H new ATOM 817 N LEU A 133 -7.804 -9.418 -1.592 1.00 0.00 N ATOM 818 CA LEU A 133 -7.438 -10.048 -2.856 1.00 0.00 C ATOM 819 C LEU A 133 -6.341 -9.263 -3.575 1.00 0.00 C ATOM 820 O LEU A 133 -5.458 -9.848 -4.202 1.00 0.00 O ATOM 821 CB LEU A 133 -8.672 -10.171 -3.755 1.00 0.00 C ATOM 822 CG LEU A 133 -9.309 -11.564 -3.814 1.00 0.00 C ATOM 823 CD1 LEU A 133 -9.309 -12.220 -2.440 1.00 0.00 C ATOM 824 CD2 LEU A 133 -10.726 -11.473 -4.363 1.00 0.00 C ATOM 0 H LEU A 133 -8.800 -9.225 -1.489 1.00 0.00 H new ATOM 0 HA LEU A 133 -7.049 -11.042 -2.637 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -9.424 -9.461 -3.410 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -8.394 -9.874 -4.766 1.00 0.00 H new ATOM 0 HG LEU A 133 -8.714 -12.185 -4.484 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -9.766 -13.207 -2.508 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -8.284 -12.319 -2.084 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -9.877 -11.604 -1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -11.167 -12.469 -4.400 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -11.327 -10.834 -3.716 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -10.701 -11.050 -5.367 1.00 0.00 H new ATOM 836 N ARG A 134 -6.406 -7.939 -3.486 1.00 0.00 N ATOM 837 CA ARG A 134 -5.421 -7.079 -4.135 1.00 0.00 C ATOM 838 C ARG A 134 -4.297 -6.691 -3.176 1.00 0.00 C ATOM 839 O ARG A 134 -3.136 -6.592 -3.572 1.00 0.00 O ATOM 840 CB ARG A 134 -6.098 -5.818 -4.675 1.00 0.00 C ATOM 841 CG ARG A 134 -6.757 -4.968 -3.597 1.00 0.00 C ATOM 842 CD ARG A 134 -7.478 -3.755 -4.177 1.00 0.00 C ATOM 843 NE ARG A 134 -7.507 -3.760 -5.641 1.00 0.00 N ATOM 844 CZ ARG A 134 -8.397 -4.436 -6.364 1.00 0.00 C ATOM 845 NH1 ARG A 134 -9.327 -5.173 -5.769 1.00 0.00 N ATOM 846 NH2 ARG A 134 -8.355 -4.378 -7.688 1.00 0.00 N ATOM 0 H ARG A 134 -7.130 -7.437 -2.971 1.00 0.00 H new ATOM 0 HA ARG A 134 -4.983 -7.640 -4.960 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -5.357 -5.214 -5.199 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -6.851 -6.106 -5.409 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -7.468 -5.578 -3.040 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -6.000 -4.633 -2.888 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -8.500 -3.729 -3.798 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -6.987 -2.846 -3.831 1.00 0.00 H new ATOM 0 HE ARG A 134 -6.803 -3.213 -6.136 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -9.363 -5.224 -4.751 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -10.006 -5.688 -6.330 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -7.641 -3.816 -8.151 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -9.036 -4.896 -8.243 1.00 0.00 H new ATOM 860 N VAL A 135 -4.654 -6.461 -1.918 1.00 0.00 N ATOM 861 CA VAL A 135 -3.684 -6.068 -0.901 1.00 0.00 C ATOM 862 C VAL A 135 -2.832 -7.253 -0.440 1.00 0.00 C ATOM 863 O VAL A 135 -1.642 -7.103 -0.165 1.00 0.00 O ATOM 864 CB VAL A 135 -4.399 -5.447 0.318 1.00 0.00 C ATOM 865 CG1 VAL A 135 -3.408 -5.088 1.414 1.00 0.00 C ATOM 866 CG2 VAL A 135 -5.203 -4.225 -0.105 1.00 0.00 C ATOM 0 H VAL A 135 -5.612 -6.540 -1.576 1.00 0.00 H new ATOM 0 HA VAL A 135 -3.025 -5.328 -1.356 1.00 0.00 H new ATOM 0 HB VAL A 135 -5.085 -6.191 0.723 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -3.942 -4.653 2.259 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -2.884 -5.987 1.740 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -2.687 -4.367 1.030 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -5.701 -3.798 0.765 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -4.534 -3.483 -0.541 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -5.950 -4.518 -0.843 1.00 0.00 H new ATOM 876 N ARG A 136 -3.452 -8.424 -0.349 1.00 0.00 N ATOM 877 CA ARG A 136 -2.761 -9.633 0.091 1.00 0.00 C ATOM 878 C ARG A 136 -1.659 -10.040 -0.884 1.00 0.00 C ATOM 879 O ARG A 136 -0.655 -10.630 -0.485 1.00 0.00 O ATOM 880 CB ARG A 136 -3.761 -10.780 0.247 1.00 0.00 C ATOM 881 CG ARG A 136 -3.144 -12.066 0.768 1.00 0.00 C ATOM 882 CD ARG A 136 -3.934 -13.285 0.316 1.00 0.00 C ATOM 883 NE ARG A 136 -3.257 -14.008 -0.758 1.00 0.00 N ATOM 884 CZ ARG A 136 -2.248 -14.853 -0.563 1.00 0.00 C ATOM 885 NH1 ARG A 136 -1.793 -15.084 0.663 1.00 0.00 N ATOM 886 NH2 ARG A 136 -1.691 -15.470 -1.596 1.00 0.00 N ATOM 0 H ARG A 136 -4.437 -8.563 -0.575 1.00 0.00 H new ATOM 0 HA ARG A 136 -2.296 -9.417 1.053 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -4.554 -10.468 0.926 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -4.227 -10.977 -0.719 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -2.116 -12.146 0.416 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -3.107 -12.038 1.857 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -4.086 -13.953 1.164 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -4.921 -12.972 -0.024 1.00 0.00 H new ATOM 0 HE ARG A 136 -3.577 -13.856 -1.714 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -2.217 -14.613 1.462 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -1.019 -15.733 0.806 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -2.036 -15.297 -2.540 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -0.917 -16.118 -1.447 1.00 0.00 H new ATOM 900 N LEU A 137 -1.853 -9.735 -2.162 1.00 0.00 N ATOM 901 CA LEU A 137 -0.870 -10.085 -3.182 1.00 0.00 C ATOM 902 C LEU A 137 0.436 -9.324 -2.978 1.00 0.00 C ATOM 903 O LEU A 137 1.517 -9.908 -3.031 1.00 0.00 O ATOM 904 CB LEU A 137 -1.425 -9.802 -4.582 1.00 0.00 C ATOM 905 CG LEU A 137 -0.419 -9.946 -5.732 1.00 0.00 C ATOM 906 CD1 LEU A 137 0.400 -8.673 -5.891 1.00 0.00 C ATOM 907 CD2 LEU A 137 0.496 -11.143 -5.504 1.00 0.00 C ATOM 0 H LEU A 137 -2.677 -9.249 -2.516 1.00 0.00 H new ATOM 0 HA LEU A 137 -0.663 -11.151 -3.089 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -2.260 -10.478 -4.766 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -1.825 -8.788 -4.597 1.00 0.00 H new ATOM 0 HG LEU A 137 -0.979 -10.114 -6.652 1.00 0.00 H new ATOM 0 HD11 LEU A 137 1.107 -8.795 -6.711 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -0.265 -7.837 -6.107 1.00 0.00 H new ATOM 0 HD13 LEU A 137 0.945 -8.474 -4.969 1.00 0.00 H new ATOM 0 HD21 LEU A 137 1.201 -11.225 -6.332 1.00 0.00 H new ATOM 0 HD22 LEU A 137 1.045 -11.009 -4.572 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -0.102 -12.052 -5.445 1.00 0.00 H new ATOM 919 N ALA A 138 0.331 -8.018 -2.754 1.00 0.00 N ATOM 920 CA ALA A 138 1.510 -7.181 -2.556 1.00 0.00 C ATOM 921 C ALA A 138 2.174 -7.427 -1.202 1.00 0.00 C ATOM 922 O ALA A 138 3.223 -6.853 -0.909 1.00 0.00 O ATOM 923 CB ALA A 138 1.141 -5.715 -2.706 1.00 0.00 C ATOM 0 H ALA A 138 -0.556 -7.517 -2.705 1.00 0.00 H new ATOM 0 HA ALA A 138 2.235 -7.452 -3.323 1.00 0.00 H new ATOM 0 HB1 ALA A 138 2.028 -5.099 -2.556 1.00 0.00 H new ATOM 0 HB2 ALA A 138 0.743 -5.541 -3.705 1.00 0.00 H new ATOM 0 HB3 ALA A 138 0.387 -5.452 -1.964 1.00 0.00 H new ATOM 929 N SER A 139 1.572 -8.280 -0.380 1.00 0.00 N ATOM 930 CA SER A 139 2.127 -8.589 0.932 1.00 0.00 C ATOM 931 C SER A 139 3.272 -9.599 0.826 1.00 0.00 C ATOM 932 O SER A 139 4.021 -9.800 1.782 1.00 0.00 O ATOM 933 CB SER A 139 1.029 -9.129 1.853 1.00 0.00 C ATOM 934 OG SER A 139 1.555 -10.030 2.814 1.00 0.00 O ATOM 0 H SER A 139 0.703 -8.768 -0.598 1.00 0.00 H new ATOM 0 HA SER A 139 2.529 -7.668 1.355 1.00 0.00 H new ATOM 0 HB2 SER A 139 0.538 -8.299 2.361 1.00 0.00 H new ATOM 0 HB3 SER A 139 0.268 -9.634 1.257 1.00 0.00 H new ATOM 0 HG SER A 139 0.830 -10.356 3.388 1.00 0.00 H new ATOM 940 N HIS A 140 3.398 -10.238 -0.336 1.00 0.00 N ATOM 941 CA HIS A 140 4.446 -11.233 -0.556 1.00 0.00 C ATOM 942 C HIS A 140 5.836 -10.681 -0.244 1.00 0.00 C ATOM 943 O HIS A 140 6.694 -11.404 0.265 1.00 0.00 O ATOM 944 CB HIS A 140 4.403 -11.749 -1.999 1.00 0.00 C ATOM 945 CG HIS A 140 4.560 -10.681 -3.040 1.00 0.00 C ATOM 946 ND1 HIS A 140 5.162 -10.882 -4.263 1.00 0.00 N ATOM 947 CD2 HIS A 140 4.170 -9.382 -3.029 1.00 0.00 C ATOM 948 CE1 HIS A 140 5.117 -9.724 -4.938 1.00 0.00 C ATOM 949 NE2 HIS A 140 4.525 -8.783 -4.232 1.00 0.00 N ATOM 0 H HIS A 140 2.788 -10.085 -1.139 1.00 0.00 H new ATOM 0 HA HIS A 140 4.253 -12.058 0.130 1.00 0.00 H new ATOM 0 HB2 HIS A 140 5.192 -12.489 -2.132 1.00 0.00 H new ATOM 0 HB3 HIS A 140 3.455 -12.262 -2.161 1.00 0.00 H new ATOM 0 HD2 HIS A 140 3.663 -8.890 -2.213 1.00 0.00 H new ATOM 0 HE1 HIS A 140 5.515 -9.582 -5.932 1.00 0.00 H new ATOM 0 HE2 HIS A 140 4.361 -7.815 -4.510 1.00 0.00 H new ATOM 957 N LEU A 141 6.066 -9.409 -0.555 1.00 0.00 N ATOM 958 CA LEU A 141 7.366 -8.794 -0.305 1.00 0.00 C ATOM 959 C LEU A 141 7.226 -7.382 0.257 1.00 0.00 C ATOM 960 O LEU A 141 7.760 -7.076 1.323 1.00 0.00 O ATOM 961 CB LEU A 141 8.191 -8.757 -1.593 1.00 0.00 C ATOM 962 CG LEU A 141 9.538 -8.036 -1.477 1.00 0.00 C ATOM 963 CD1 LEU A 141 10.683 -9.037 -1.480 1.00 0.00 C ATOM 964 CD2 LEU A 141 9.704 -7.026 -2.604 1.00 0.00 C ATOM 0 H LEU A 141 5.376 -8.788 -0.977 1.00 0.00 H new ATOM 0 HA LEU A 141 7.878 -9.404 0.440 1.00 0.00 H new ATOM 0 HB2 LEU A 141 8.371 -9.781 -1.921 1.00 0.00 H new ATOM 0 HB3 LEU A 141 7.602 -8.272 -2.371 1.00 0.00 H new ATOM 0 HG LEU A 141 9.558 -7.497 -0.530 1.00 0.00 H new ATOM 0 HD11 LEU A 141 11.631 -8.506 -1.397 1.00 0.00 H new ATOM 0 HD12 LEU A 141 10.573 -9.718 -0.636 1.00 0.00 H new ATOM 0 HD13 LEU A 141 10.666 -9.606 -2.410 1.00 0.00 H new ATOM 0 HD21 LEU A 141 10.667 -6.524 -2.504 1.00 0.00 H new ATOM 0 HD22 LEU A 141 9.661 -7.541 -3.564 1.00 0.00 H new ATOM 0 HD23 LEU A 141 8.903 -6.288 -2.552 1.00 0.00 H new ATOM 976 N ARG A 142 6.523 -6.522 -0.478 1.00 0.00 N ATOM 977 CA ARG A 142 6.325 -5.128 -0.071 1.00 0.00 C ATOM 978 C ARG A 142 6.125 -4.997 1.439 1.00 0.00 C ATOM 979 O ARG A 142 6.557 -4.018 2.046 1.00 0.00 O ATOM 980 CB ARG A 142 5.132 -4.522 -0.814 1.00 0.00 C ATOM 981 CG ARG A 142 5.145 -4.789 -2.314 1.00 0.00 C ATOM 982 CD ARG A 142 6.524 -4.553 -2.913 1.00 0.00 C ATOM 983 NE ARG A 142 6.474 -4.366 -4.361 1.00 0.00 N ATOM 984 CZ ARG A 142 6.175 -3.210 -4.949 1.00 0.00 C ATOM 985 NH1 ARG A 142 5.868 -2.146 -4.218 1.00 0.00 N ATOM 986 NH2 ARG A 142 6.182 -3.120 -6.272 1.00 0.00 N ATOM 0 H ARG A 142 6.078 -6.766 -1.363 1.00 0.00 H new ATOM 0 HA ARG A 142 7.230 -4.580 -0.333 1.00 0.00 H new ATOM 0 HB2 ARG A 142 4.211 -4.922 -0.391 1.00 0.00 H new ATOM 0 HB3 ARG A 142 5.119 -3.445 -0.646 1.00 0.00 H new ATOM 0 HG2 ARG A 142 4.836 -5.817 -2.504 1.00 0.00 H new ATOM 0 HG3 ARG A 142 4.419 -4.142 -2.806 1.00 0.00 H new ATOM 0 HD2 ARG A 142 6.973 -3.674 -2.451 1.00 0.00 H new ATOM 0 HD3 ARG A 142 7.169 -5.400 -2.680 1.00 0.00 H new ATOM 0 HE ARG A 142 6.680 -5.168 -4.956 1.00 0.00 H new ATOM 0 HH11 ARG A 142 5.860 -2.211 -3.200 1.00 0.00 H new ATOM 0 HH12 ARG A 142 5.640 -1.263 -4.674 1.00 0.00 H new ATOM 0 HH21 ARG A 142 6.416 -3.936 -6.837 1.00 0.00 H new ATOM 0 HH22 ARG A 142 5.953 -2.235 -6.724 1.00 0.00 H new ATOM 1000 N LYS A 143 5.476 -5.989 2.039 1.00 0.00 N ATOM 1001 CA LYS A 143 5.234 -5.976 3.477 1.00 0.00 C ATOM 1002 C LYS A 143 6.255 -6.844 4.206 1.00 0.00 C ATOM 1003 O LYS A 143 6.817 -6.438 5.223 1.00 0.00 O ATOM 1004 CB LYS A 143 3.817 -6.460 3.785 1.00 0.00 C ATOM 1005 CG LYS A 143 3.019 -5.488 4.639 1.00 0.00 C ATOM 1006 CD LYS A 143 2.973 -4.102 4.017 1.00 0.00 C ATOM 1007 CE LYS A 143 1.797 -3.296 4.545 1.00 0.00 C ATOM 1008 NZ LYS A 143 1.739 -3.308 6.032 1.00 0.00 N ATOM 0 H LYS A 143 5.110 -6.809 1.555 1.00 0.00 H new ATOM 0 HA LYS A 143 5.339 -4.950 3.829 1.00 0.00 H new ATOM 0 HB2 LYS A 143 3.287 -6.628 2.848 1.00 0.00 H new ATOM 0 HB3 LYS A 143 3.872 -7.421 4.297 1.00 0.00 H new ATOM 0 HG2 LYS A 143 2.004 -5.864 4.766 1.00 0.00 H new ATOM 0 HG3 LYS A 143 3.463 -5.427 5.633 1.00 0.00 H new ATOM 0 HD2 LYS A 143 3.903 -3.575 4.231 1.00 0.00 H new ATOM 0 HD3 LYS A 143 2.898 -4.190 2.933 1.00 0.00 H new ATOM 0 HE2 LYS A 143 1.875 -2.267 4.193 1.00 0.00 H new ATOM 0 HE3 LYS A 143 0.869 -3.702 4.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 0.965 -2.693 6.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 1.571 -4.279 6.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 2.640 -2.961 6.417 1.00 0.00 H new ATOM 1022 N LEU A 144 6.490 -8.041 3.678 1.00 0.00 N ATOM 1023 CA LEU A 144 7.444 -8.968 4.277 1.00 0.00 C ATOM 1024 C LEU A 144 8.859 -8.399 4.228 1.00 0.00 C ATOM 1025 O LEU A 144 9.488 -8.184 5.264 1.00 0.00 O ATOM 1026 CB LEU A 144 7.397 -10.316 3.556 1.00 0.00 C ATOM 1027 CG LEU A 144 6.196 -11.196 3.909 1.00 0.00 C ATOM 1028 CD1 LEU A 144 5.874 -12.145 2.765 1.00 0.00 C ATOM 1029 CD2 LEU A 144 6.465 -11.973 5.189 1.00 0.00 C ATOM 0 H LEU A 144 6.033 -8.392 2.836 1.00 0.00 H new ATOM 0 HA LEU A 144 7.167 -9.113 5.321 1.00 0.00 H new ATOM 0 HB2 LEU A 144 7.393 -10.136 2.481 1.00 0.00 H new ATOM 0 HB3 LEU A 144 8.310 -10.865 3.784 1.00 0.00 H new ATOM 0 HG LEU A 144 5.332 -10.551 4.072 1.00 0.00 H new ATOM 0 HD11 LEU A 144 5.017 -12.763 3.035 1.00 0.00 H new ATOM 0 HD12 LEU A 144 5.639 -11.569 1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 144 6.735 -12.784 2.569 1.00 0.00 H new ATOM 0 HD21 LEU A 144 5.601 -12.594 5.426 1.00 0.00 H new ATOM 0 HD22 LEU A 144 7.341 -12.607 5.052 1.00 0.00 H new ATOM 0 HD23 LEU A 144 6.646 -11.275 6.007 1.00 0.00 H new