USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 426 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 Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -3.32 K(o=-3.3,f=-5.4!) USER MOD Single : A 18 THR OG1 : rot -25:sc= 0.792 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0208) USER MOD Single : A 39 SER OG : rot 180:sc= -0.872 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.0887 K(o=-0.089,f=-1.6!) USER MOD Single : A 61 SER OG : rot -89:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 32 N GLU A 3 -14.813 -9.684 5.363 1.00 0.00 N ATOM 33 CA GLU A 3 -15.618 -8.973 6.396 1.00 0.00 C ATOM 34 C GLU A 3 -14.998 -7.604 6.673 1.00 0.00 C ATOM 35 O GLU A 3 -15.632 -6.722 7.217 1.00 0.00 O ATOM 36 CB GLU A 3 -15.635 -9.797 7.685 1.00 0.00 C ATOM 37 CG GLU A 3 -16.869 -10.700 7.700 1.00 0.00 C ATOM 38 CD GLU A 3 -17.529 -10.639 9.078 1.00 0.00 C ATOM 39 OE1 GLU A 3 -16.822 -10.389 10.042 1.00 0.00 O ATOM 40 OE2 GLU A 3 -18.730 -10.844 9.148 1.00 0.00 O ATOM 0 HA GLU A 3 -16.638 -8.842 6.035 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.730 -10.400 7.755 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -15.645 -9.136 8.551 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -17.575 -10.382 6.933 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -16.585 -11.726 7.466 1.00 0.00 H new ATOM 47 N CYS A 4 -13.763 -7.418 6.299 1.00 0.00 N ATOM 48 CA CYS A 4 -13.110 -6.103 6.538 1.00 0.00 C ATOM 49 C CYS A 4 -12.278 -5.717 5.314 1.00 0.00 C ATOM 50 O CYS A 4 -11.194 -6.224 5.104 1.00 0.00 O ATOM 51 CB CYS A 4 -12.197 -6.193 7.763 1.00 0.00 C ATOM 52 SG CYS A 4 -13.040 -5.482 9.201 1.00 0.00 S ATOM 0 H CYS A 4 -13.180 -8.118 5.840 1.00 0.00 H new ATOM 0 HA CYS A 4 -13.877 -5.348 6.713 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -11.936 -7.233 7.959 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -11.265 -5.660 7.575 1.00 0.00 H new ATOM 57 N ASP A 5 -12.775 -4.821 4.506 1.00 0.00 N ATOM 58 CA ASP A 5 -12.007 -4.405 3.299 1.00 0.00 C ATOM 59 C ASP A 5 -11.026 -3.293 3.680 1.00 0.00 C ATOM 60 O ASP A 5 -10.223 -2.861 2.877 1.00 0.00 O ATOM 61 CB ASP A 5 -12.973 -3.893 2.227 1.00 0.00 C ATOM 62 CG ASP A 5 -12.503 -4.371 0.852 1.00 0.00 C ATOM 63 OD1 ASP A 5 -11.303 -4.399 0.636 1.00 0.00 O ATOM 64 OD2 ASP A 5 -13.351 -4.701 0.038 1.00 0.00 O ATOM 0 H ASP A 5 -13.677 -4.360 4.629 1.00 0.00 H new ATOM 0 HA ASP A 5 -11.455 -5.259 2.907 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -13.981 -4.257 2.426 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -13.017 -2.804 2.251 1.00 0.00 H new ATOM 69 N CYS A 6 -11.080 -2.829 4.900 1.00 0.00 N ATOM 70 CA CYS A 6 -10.145 -1.751 5.329 1.00 0.00 C ATOM 71 C CYS A 6 -9.767 -1.955 6.799 1.00 0.00 C ATOM 72 O CYS A 6 -10.265 -2.848 7.458 1.00 0.00 O ATOM 73 CB CYS A 6 -10.814 -0.385 5.139 1.00 0.00 C ATOM 74 SG CYS A 6 -12.026 -0.088 6.454 1.00 0.00 S ATOM 0 H CYS A 6 -11.731 -3.150 5.617 1.00 0.00 H new ATOM 0 HA CYS A 6 -9.240 -1.789 4.722 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -10.059 0.401 5.147 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -11.305 -0.345 4.167 1.00 0.00 H new ATOM 79 N SER A 7 -8.882 -1.148 7.317 1.00 0.00 N ATOM 80 CA SER A 7 -8.468 -1.314 8.741 1.00 0.00 C ATOM 81 C SER A 7 -8.753 -0.036 9.540 1.00 0.00 C ATOM 82 O SER A 7 -8.782 -0.055 10.754 1.00 0.00 O ATOM 83 CB SER A 7 -6.972 -1.621 8.799 1.00 0.00 C ATOM 84 OG SER A 7 -6.700 -2.772 8.010 1.00 0.00 O ATOM 0 H SER A 7 -8.428 -0.383 6.818 1.00 0.00 H new ATOM 0 HA SER A 7 -9.037 -2.135 9.178 1.00 0.00 H new ATOM 0 HB2 SER A 7 -6.399 -0.770 8.431 1.00 0.00 H new ATOM 0 HB3 SER A 7 -6.663 -1.791 9.830 1.00 0.00 H new ATOM 0 HG SER A 7 -5.741 -2.972 8.043 1.00 0.00 H new ATOM 90 N SER A 8 -8.957 1.076 8.884 1.00 0.00 N ATOM 91 CA SER A 8 -9.226 2.333 9.635 1.00 0.00 C ATOM 92 C SER A 8 -10.717 2.688 9.536 1.00 0.00 C ATOM 93 O SER A 8 -11.202 3.001 8.467 1.00 0.00 O ATOM 94 CB SER A 8 -8.395 3.468 9.037 1.00 0.00 C ATOM 95 OG SER A 8 -7.015 3.203 9.253 1.00 0.00 O ATOM 0 H SER A 8 -8.949 1.166 7.868 1.00 0.00 H new ATOM 0 HA SER A 8 -8.957 2.192 10.682 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.597 3.559 7.970 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.671 4.417 9.496 1.00 0.00 H new ATOM 0 HG SER A 8 -6.479 3.928 8.869 1.00 0.00 H new ATOM 101 N PRO A 9 -11.401 2.636 10.656 1.00 0.00 N ATOM 102 CA PRO A 9 -12.839 2.958 10.727 1.00 0.00 C ATOM 103 C PRO A 9 -13.057 4.477 10.769 1.00 0.00 C ATOM 104 O PRO A 9 -13.946 4.965 11.437 1.00 0.00 O ATOM 105 CB PRO A 9 -13.284 2.315 12.042 1.00 0.00 C ATOM 106 CG PRO A 9 -12.012 2.172 12.912 1.00 0.00 C ATOM 107 CD PRO A 9 -10.809 2.246 11.952 1.00 0.00 C ATOM 0 HA PRO A 9 -13.397 2.597 9.863 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -14.030 2.932 12.543 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.743 1.343 11.863 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.962 2.966 13.658 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.018 1.226 13.453 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.074 2.977 12.290 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.296 1.287 11.883 1.00 0.00 H new ATOM 115 N GLU A 10 -12.256 5.228 10.062 1.00 0.00 N ATOM 116 CA GLU A 10 -12.422 6.708 10.060 1.00 0.00 C ATOM 117 C GLU A 10 -11.950 7.248 8.711 1.00 0.00 C ATOM 118 O GLU A 10 -11.643 8.415 8.565 1.00 0.00 O ATOM 119 CB GLU A 10 -11.581 7.321 11.182 1.00 0.00 C ATOM 120 CG GLU A 10 -12.490 8.100 12.134 1.00 0.00 C ATOM 121 CD GLU A 10 -11.822 8.206 13.506 1.00 0.00 C ATOM 122 OE1 GLU A 10 -11.431 7.177 14.033 1.00 0.00 O ATOM 123 OE2 GLU A 10 -11.712 9.313 14.006 1.00 0.00 O ATOM 0 H GLU A 10 -11.492 4.878 9.484 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.469 6.967 10.220 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.054 6.537 11.726 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.823 7.983 10.763 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.685 9.095 11.735 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.454 7.599 12.225 1.00 0.00 H new ATOM 130 N ASN A 11 -11.887 6.395 7.726 1.00 0.00 N ATOM 131 CA ASN A 11 -11.432 6.833 6.379 1.00 0.00 C ATOM 132 C ASN A 11 -12.646 7.004 5.460 1.00 0.00 C ATOM 133 O ASN A 11 -13.644 6.328 5.622 1.00 0.00 O ATOM 134 CB ASN A 11 -10.494 5.772 5.802 1.00 0.00 C ATOM 135 CG ASN A 11 -11.086 4.385 6.044 1.00 0.00 C ATOM 136 OD1 ASN A 11 -12.267 4.250 6.292 1.00 0.00 O ATOM 137 ND2 ASN A 11 -10.309 3.341 5.975 1.00 0.00 N ATOM 0 H ASN A 11 -12.133 5.408 7.798 1.00 0.00 H new ATOM 0 HA ASN A 11 -10.906 7.784 6.457 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -10.353 5.938 4.734 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -9.512 5.847 6.269 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.693 2.409 6.129 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.317 3.456 5.767 1.00 0.00 H new ATOM 144 N PRO A 12 -12.525 7.912 4.525 1.00 0.00 N ATOM 145 CA PRO A 12 -13.598 8.212 3.559 1.00 0.00 C ATOM 146 C PRO A 12 -13.628 7.186 2.417 1.00 0.00 C ATOM 147 O PRO A 12 -14.181 7.438 1.366 1.00 0.00 O ATOM 148 CB PRO A 12 -13.216 9.594 3.023 1.00 0.00 C ATOM 149 CG PRO A 12 -11.694 9.752 3.263 1.00 0.00 C ATOM 150 CD PRO A 12 -11.308 8.729 4.347 1.00 0.00 C ATOM 0 HA PRO A 12 -14.588 8.180 4.013 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -13.452 9.678 1.962 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -13.773 10.377 3.537 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -11.137 9.571 2.344 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -11.456 10.766 3.585 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -10.461 8.118 4.035 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -11.020 9.222 5.275 1.00 0.00 H new ATOM 158 N CYS A 13 -13.042 6.033 2.604 1.00 0.00 N ATOM 159 CA CYS A 13 -13.051 5.016 1.513 1.00 0.00 C ATOM 160 C CYS A 13 -13.827 3.775 1.957 1.00 0.00 C ATOM 161 O CYS A 13 -14.442 3.103 1.154 1.00 0.00 O ATOM 162 CB CYS A 13 -11.616 4.618 1.163 1.00 0.00 C ATOM 163 SG CYS A 13 -10.707 6.066 0.568 1.00 0.00 S ATOM 0 H CYS A 13 -12.561 5.753 3.459 1.00 0.00 H new ATOM 0 HA CYS A 13 -13.534 5.447 0.636 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -11.120 4.201 2.040 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -11.620 3.841 0.399 1.00 0.00 H new ATOM 168 N CYS A 14 -13.808 3.455 3.223 1.00 0.00 N ATOM 169 CA CYS A 14 -14.550 2.246 3.682 1.00 0.00 C ATOM 170 C CYS A 14 -15.536 2.615 4.792 1.00 0.00 C ATOM 171 O CYS A 14 -15.339 3.557 5.533 1.00 0.00 O ATOM 172 CB CYS A 14 -13.557 1.186 4.180 1.00 0.00 C ATOM 173 SG CYS A 14 -13.000 1.579 5.858 1.00 0.00 S ATOM 0 H CYS A 14 -13.317 3.972 3.952 1.00 0.00 H new ATOM 0 HA CYS A 14 -15.115 1.837 2.844 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -14.028 0.203 4.168 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -12.700 1.137 3.508 1.00 0.00 H new ATOM 178 N ASP A 15 -16.598 1.868 4.900 1.00 0.00 N ATOM 179 CA ASP A 15 -17.616 2.149 5.946 1.00 0.00 C ATOM 180 C ASP A 15 -17.105 1.670 7.306 1.00 0.00 C ATOM 181 O ASP A 15 -16.555 0.593 7.428 1.00 0.00 O ATOM 182 CB ASP A 15 -18.901 1.399 5.596 1.00 0.00 C ATOM 183 CG ASP A 15 -20.094 2.082 6.268 1.00 0.00 C ATOM 184 OD1 ASP A 15 -19.869 2.861 7.178 1.00 0.00 O ATOM 185 OD2 ASP A 15 -21.212 1.812 5.861 1.00 0.00 O ATOM 0 H ASP A 15 -16.805 1.068 4.302 1.00 0.00 H new ATOM 0 HA ASP A 15 -17.808 3.221 5.993 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -19.041 1.381 4.515 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -18.830 0.362 5.925 1.00 0.00 H new ATOM 190 N ALA A 16 -17.290 2.458 8.330 1.00 0.00 N ATOM 191 CA ALA A 16 -16.825 2.045 9.682 1.00 0.00 C ATOM 192 C ALA A 16 -17.905 1.191 10.345 1.00 0.00 C ATOM 193 O ALA A 16 -17.652 0.473 11.291 1.00 0.00 O ATOM 194 CB ALA A 16 -16.561 3.288 10.535 1.00 0.00 C ATOM 0 H ALA A 16 -17.744 3.371 8.287 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.905 1.468 9.592 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -16.221 2.984 11.525 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.794 3.900 10.059 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -17.480 3.867 10.629 1.00 0.00 H new ATOM 200 N ALA A 17 -19.109 1.262 9.849 1.00 0.00 N ATOM 201 CA ALA A 17 -20.210 0.454 10.442 1.00 0.00 C ATOM 202 C ALA A 17 -20.062 -1.003 10.001 1.00 0.00 C ATOM 203 O ALA A 17 -20.444 -1.916 10.705 1.00 0.00 O ATOM 204 CB ALA A 17 -21.556 0.998 9.961 1.00 0.00 C ATOM 0 H ALA A 17 -19.378 1.846 9.057 1.00 0.00 H new ATOM 0 HA ALA A 17 -20.162 0.513 11.529 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -22.363 0.407 10.394 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -21.660 2.038 10.271 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -21.605 0.937 8.874 1.00 0.00 H new ATOM 210 N THR A 18 -19.510 -1.229 8.839 1.00 0.00 N ATOM 211 CA THR A 18 -19.340 -2.627 8.356 1.00 0.00 C ATOM 212 C THR A 18 -17.859 -2.899 8.076 1.00 0.00 C ATOM 213 O THR A 18 -17.487 -3.980 7.666 1.00 0.00 O ATOM 214 CB THR A 18 -20.153 -2.830 7.074 1.00 0.00 C ATOM 215 OG1 THR A 18 -19.981 -4.161 6.608 1.00 0.00 O ATOM 216 CG2 THR A 18 -19.681 -1.846 6.001 1.00 0.00 C ATOM 0 H THR A 18 -19.170 -0.506 8.205 1.00 0.00 H new ATOM 0 HA THR A 18 -19.694 -3.318 9.121 1.00 0.00 H new ATOM 0 HB THR A 18 -21.208 -2.653 7.285 1.00 0.00 H new ATOM 0 HG1 THR A 18 -19.126 -4.513 6.932 1.00 0.00 H new ATOM 0 HG21 THR A 18 -20.262 -1.994 5.091 1.00 0.00 H new ATOM 0 HG22 THR A 18 -19.819 -0.825 6.358 1.00 0.00 H new ATOM 0 HG23 THR A 18 -18.625 -2.017 5.789 1.00 0.00 H new ATOM 224 N CYS A 19 -17.009 -1.932 8.298 1.00 0.00 N ATOM 225 CA CYS A 19 -15.555 -2.153 8.048 1.00 0.00 C ATOM 226 C CYS A 19 -15.359 -2.625 6.605 1.00 0.00 C ATOM 227 O CYS A 19 -14.530 -3.461 6.322 1.00 0.00 O ATOM 228 CB CYS A 19 -15.041 -3.223 9.018 1.00 0.00 C ATOM 229 SG CYS A 19 -13.277 -3.529 8.735 1.00 0.00 S ATOM 0 H CYS A 19 -17.257 -1.003 8.640 1.00 0.00 H new ATOM 0 HA CYS A 19 -15.003 -1.226 8.202 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -15.201 -2.899 10.046 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -15.604 -4.147 8.884 1.00 0.00 H new ATOM 234 N LYS A 20 -16.119 -2.104 5.684 1.00 0.00 N ATOM 235 CA LYS A 20 -15.963 -2.548 4.270 1.00 0.00 C ATOM 236 C LYS A 20 -16.155 -1.361 3.322 1.00 0.00 C ATOM 237 O LYS A 20 -16.879 -0.429 3.613 1.00 0.00 O ATOM 238 CB LYS A 20 -17.007 -3.625 3.969 1.00 0.00 C ATOM 239 CG LYS A 20 -16.517 -4.973 4.503 1.00 0.00 C ATOM 240 CD LYS A 20 -16.175 -5.897 3.334 1.00 0.00 C ATOM 241 CE LYS A 20 -17.466 -6.361 2.658 1.00 0.00 C ATOM 242 NZ LYS A 20 -17.243 -7.685 2.009 1.00 0.00 N ATOM 0 H LYS A 20 -16.836 -1.396 5.845 1.00 0.00 H new ATOM 0 HA LYS A 20 -14.962 -2.953 4.124 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -17.959 -3.363 4.431 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -17.180 -3.688 2.895 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -15.640 -4.828 5.133 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -17.286 -5.429 5.127 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -15.543 -5.374 2.616 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -15.608 -6.757 3.690 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -18.267 -6.436 3.393 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -17.783 -5.629 1.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -18.122 -7.999 1.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -16.491 -7.600 1.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -16.960 -8.381 2.728 1.00 0.00 H new ATOM 256 N LEU A 21 -15.502 -1.388 2.191 1.00 0.00 N ATOM 257 CA LEU A 21 -15.633 -0.264 1.221 1.00 0.00 C ATOM 258 C LEU A 21 -17.104 0.129 1.073 1.00 0.00 C ATOM 259 O LEU A 21 -17.969 -0.709 0.921 1.00 0.00 O ATOM 260 CB LEU A 21 -15.078 -0.691 -0.135 1.00 0.00 C ATOM 261 CG LEU A 21 -13.553 -0.586 -0.102 1.00 0.00 C ATOM 262 CD1 LEU A 21 -12.950 -1.786 -0.824 1.00 0.00 C ATOM 263 CD2 LEU A 21 -13.109 0.701 -0.801 1.00 0.00 C ATOM 0 H LEU A 21 -14.882 -2.143 1.897 1.00 0.00 H new ATOM 0 HA LEU A 21 -15.070 0.593 1.590 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -15.381 -1.714 -0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -15.482 -0.057 -0.924 1.00 0.00 H new ATOM 0 HG LEU A 21 -13.214 -0.570 0.934 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.863 -1.715 -0.803 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.263 -2.704 -0.328 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -13.293 -1.798 -1.859 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -12.022 0.772 -0.775 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -13.448 0.688 -1.837 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -13.541 1.561 -0.289 1.00 0.00 H new ATOM 275 N ARG A 22 -17.389 1.401 1.124 1.00 0.00 N ATOM 276 CA ARG A 22 -18.806 1.854 0.996 1.00 0.00 C ATOM 277 C ARG A 22 -19.130 2.212 -0.462 1.00 0.00 C ATOM 278 O ARG A 22 -20.079 1.696 -1.019 1.00 0.00 O ATOM 279 CB ARG A 22 -19.044 3.079 1.884 1.00 0.00 C ATOM 280 CG ARG A 22 -20.331 2.886 2.689 1.00 0.00 C ATOM 281 CD ARG A 22 -20.514 4.064 3.647 1.00 0.00 C ATOM 282 NE ARG A 22 -21.792 3.900 4.396 1.00 0.00 N ATOM 283 CZ ARG A 22 -22.893 4.424 3.930 1.00 0.00 C ATOM 284 NH1 ARG A 22 -23.033 5.720 3.890 1.00 0.00 N ATOM 285 NH2 ARG A 22 -23.853 3.650 3.503 1.00 0.00 N ATOM 0 H ARG A 22 -16.704 2.147 1.249 1.00 0.00 H new ATOM 0 HA ARG A 22 -19.457 1.039 1.313 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -18.199 3.222 2.558 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -19.118 3.977 1.270 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -21.186 2.814 2.017 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -20.286 1.952 3.249 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -19.676 4.115 4.342 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -20.524 5.001 3.091 1.00 0.00 H new ATOM 0 HE ARG A 22 -21.806 3.378 5.272 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -22.282 6.325 4.223 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -23.893 6.129 3.526 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -23.743 2.636 3.534 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -24.714 4.059 3.139 1.00 0.00 H new ATOM 299 N PRO A 23 -18.348 3.095 -1.041 1.00 0.00 N ATOM 300 CA PRO A 23 -18.559 3.540 -2.429 1.00 0.00 C ATOM 301 C PRO A 23 -17.966 2.525 -3.412 1.00 0.00 C ATOM 302 O PRO A 23 -17.507 1.469 -3.027 1.00 0.00 O ATOM 303 CB PRO A 23 -17.797 4.865 -2.500 1.00 0.00 C ATOM 304 CG PRO A 23 -16.740 4.822 -1.370 1.00 0.00 C ATOM 305 CD PRO A 23 -17.189 3.732 -0.379 1.00 0.00 C ATOM 0 HA PRO A 23 -19.613 3.641 -2.690 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -17.321 4.988 -3.473 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -18.473 5.710 -2.367 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -15.753 4.595 -1.773 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -16.666 5.789 -0.873 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -16.392 3.012 -0.191 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -17.466 4.160 0.585 1.00 0.00 H new ATOM 313 N GLY A 24 -17.967 2.842 -4.679 1.00 0.00 N ATOM 314 CA GLY A 24 -17.396 1.898 -5.680 1.00 0.00 C ATOM 315 C GLY A 24 -15.870 1.979 -5.626 1.00 0.00 C ATOM 316 O GLY A 24 -15.216 2.235 -6.618 1.00 0.00 O ATOM 0 H GLY A 24 -18.338 3.712 -5.062 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -17.727 0.881 -5.470 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -17.751 2.149 -6.680 1.00 0.00 H new ATOM 320 N ALA A 25 -15.300 1.769 -4.471 1.00 0.00 N ATOM 321 CA ALA A 25 -13.818 1.839 -4.347 1.00 0.00 C ATOM 322 C ALA A 25 -13.239 0.426 -4.299 1.00 0.00 C ATOM 323 O ALA A 25 -13.890 -0.509 -3.874 1.00 0.00 O ATOM 324 CB ALA A 25 -13.455 2.579 -3.059 1.00 0.00 C ATOM 0 H ALA A 25 -15.798 1.552 -3.608 1.00 0.00 H new ATOM 0 HA ALA A 25 -13.406 2.369 -5.206 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -12.371 2.633 -2.964 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -13.867 3.588 -3.090 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -13.868 2.045 -2.204 1.00 0.00 H new ATOM 330 N GLN A 26 -12.019 0.262 -4.729 1.00 0.00 N ATOM 331 CA GLN A 26 -11.401 -1.090 -4.707 1.00 0.00 C ATOM 332 C GLN A 26 -10.642 -1.284 -3.394 1.00 0.00 C ATOM 333 O GLN A 26 -10.293 -2.389 -3.027 1.00 0.00 O ATOM 334 CB GLN A 26 -10.432 -1.230 -5.882 1.00 0.00 C ATOM 335 CG GLN A 26 -10.769 -2.495 -6.674 1.00 0.00 C ATOM 336 CD GLN A 26 -11.652 -2.132 -7.869 1.00 0.00 C ATOM 337 OE1 GLN A 26 -11.235 -2.247 -9.004 1.00 0.00 O ATOM 338 NE2 GLN A 26 -12.863 -1.695 -7.660 1.00 0.00 N ATOM 0 H GLN A 26 -11.425 1.006 -5.094 1.00 0.00 H new ATOM 0 HA GLN A 26 -12.182 -1.846 -4.790 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.499 -0.355 -6.528 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.406 -1.279 -5.517 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.853 -2.975 -7.018 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -11.283 -3.211 -6.033 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -13.213 -1.599 -6.707 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -13.460 -1.450 -8.450 1.00 0.00 H new ATOM 347 N CYS A 27 -10.379 -0.221 -2.679 1.00 0.00 N ATOM 348 CA CYS A 27 -9.640 -0.364 -1.394 1.00 0.00 C ATOM 349 C CYS A 27 -10.018 0.785 -0.449 1.00 0.00 C ATOM 350 O CYS A 27 -10.282 1.893 -0.871 1.00 0.00 O ATOM 351 CB CYS A 27 -8.120 -0.397 -1.693 1.00 0.00 C ATOM 352 SG CYS A 27 -7.215 0.929 -0.839 1.00 0.00 S ATOM 0 H CYS A 27 -10.643 0.732 -2.928 1.00 0.00 H new ATOM 0 HA CYS A 27 -9.910 -1.295 -0.896 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -7.714 -1.363 -1.391 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -7.962 -0.307 -2.768 1.00 0.00 H new ATOM 357 N GLY A 28 -10.032 0.520 0.829 1.00 0.00 N ATOM 358 CA GLY A 28 -10.378 1.584 1.810 1.00 0.00 C ATOM 359 C GLY A 28 -9.099 2.285 2.247 1.00 0.00 C ATOM 360 O GLY A 28 -9.123 3.379 2.772 1.00 0.00 O ATOM 0 H GLY A 28 -9.818 -0.391 1.236 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.067 2.300 1.362 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.885 1.151 2.673 1.00 0.00 H new ATOM 364 N GLU A 29 -7.980 1.657 2.031 1.00 0.00 N ATOM 365 CA GLU A 29 -6.695 2.278 2.433 1.00 0.00 C ATOM 366 C GLU A 29 -5.541 1.498 1.798 1.00 0.00 C ATOM 367 O GLU A 29 -5.705 0.372 1.374 1.00 0.00 O ATOM 368 CB GLU A 29 -6.583 2.234 3.954 1.00 0.00 C ATOM 369 CG GLU A 29 -6.555 0.778 4.423 1.00 0.00 C ATOM 370 CD GLU A 29 -5.537 0.623 5.555 1.00 0.00 C ATOM 371 OE1 GLU A 29 -5.880 0.942 6.682 1.00 0.00 O ATOM 372 OE2 GLU A 29 -4.432 0.188 5.276 1.00 0.00 O ATOM 0 H GLU A 29 -7.902 0.739 1.593 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.652 3.314 2.096 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.678 2.749 4.277 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.426 2.757 4.406 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.545 0.477 4.767 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.293 0.123 3.592 1.00 0.00 H new ATOM 379 N GLY A 30 -4.375 2.078 1.730 1.00 0.00 N ATOM 380 CA GLY A 30 -3.227 1.350 1.118 1.00 0.00 C ATOM 381 C GLY A 30 -2.126 2.340 0.733 1.00 0.00 C ATOM 382 O GLY A 30 -2.364 3.522 0.580 1.00 0.00 O ATOM 0 H GLY A 30 -4.167 3.017 2.069 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.836 0.614 1.820 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.561 0.803 0.236 1.00 0.00 H new ATOM 386 N LEU A 31 -0.920 1.863 0.575 1.00 0.00 N ATOM 387 CA LEU A 31 0.200 2.770 0.201 1.00 0.00 C ATOM 388 C LEU A 31 0.044 3.200 -1.257 1.00 0.00 C ATOM 389 O LEU A 31 0.665 4.143 -1.706 1.00 0.00 O ATOM 390 CB LEU A 31 1.531 2.032 0.369 1.00 0.00 C ATOM 391 CG LEU A 31 2.023 2.179 1.809 1.00 0.00 C ATOM 392 CD1 LEU A 31 2.458 3.622 2.056 1.00 0.00 C ATOM 393 CD2 LEU A 31 0.893 1.815 2.775 1.00 0.00 C ATOM 0 H LEU A 31 -0.663 0.882 0.689 1.00 0.00 H new ATOM 0 HA LEU A 31 0.184 3.649 0.845 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.407 0.977 0.123 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.271 2.436 -0.322 1.00 0.00 H new ATOM 0 HG LEU A 31 2.870 1.512 1.972 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.809 3.726 3.083 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.264 3.882 1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.612 4.290 1.892 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.244 1.920 3.802 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.046 2.481 2.611 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.583 0.785 2.601 1.00 0.00 H new ATOM 405 N CYS A 32 -0.777 2.514 -2.004 1.00 0.00 N ATOM 406 CA CYS A 32 -0.963 2.886 -3.434 1.00 0.00 C ATOM 407 C CYS A 32 -2.452 2.863 -3.784 1.00 0.00 C ATOM 408 O CYS A 32 -2.865 2.266 -4.758 1.00 0.00 O ATOM 409 CB CYS A 32 -0.202 1.898 -4.318 1.00 0.00 C ATOM 410 SG CYS A 32 1.575 2.100 -4.034 1.00 0.00 S ATOM 0 H CYS A 32 -1.325 1.715 -1.687 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.576 3.891 -3.603 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.506 0.877 -4.089 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.438 2.073 -5.368 1.00 0.00 H new ATOM 415 N CYS A 33 -3.258 3.523 -2.997 1.00 0.00 N ATOM 416 CA CYS A 33 -4.721 3.561 -3.278 1.00 0.00 C ATOM 417 C CYS A 33 -5.111 4.998 -3.638 1.00 0.00 C ATOM 418 O CYS A 33 -5.058 5.889 -2.813 1.00 0.00 O ATOM 419 CB CYS A 33 -5.491 3.102 -2.035 1.00 0.00 C ATOM 420 SG CYS A 33 -5.639 1.300 -2.046 1.00 0.00 S ATOM 0 H CYS A 33 -2.964 4.040 -2.168 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.965 2.896 -4.107 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.974 3.429 -1.133 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -6.481 3.558 -2.019 1.00 0.00 H new ATOM 425 N GLU A 34 -5.489 5.235 -4.867 1.00 0.00 N ATOM 426 CA GLU A 34 -5.866 6.614 -5.279 1.00 0.00 C ATOM 427 C GLU A 34 -7.385 6.725 -5.357 1.00 0.00 C ATOM 428 O GLU A 34 -8.041 5.955 -6.031 1.00 0.00 O ATOM 429 CB GLU A 34 -5.264 6.920 -6.653 1.00 0.00 C ATOM 430 CG GLU A 34 -5.462 5.716 -7.577 1.00 0.00 C ATOM 431 CD GLU A 34 -5.613 6.200 -9.021 1.00 0.00 C ATOM 432 OE1 GLU A 34 -5.460 7.389 -9.246 1.00 0.00 O ATOM 433 OE2 GLU A 34 -5.880 5.373 -9.877 1.00 0.00 O ATOM 0 H GLU A 34 -5.552 4.531 -5.602 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.485 7.327 -4.547 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.739 7.803 -7.081 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.202 7.146 -6.555 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.612 5.039 -7.496 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.347 5.155 -7.276 1.00 0.00 H new ATOM 440 N GLN A 35 -7.950 7.676 -4.671 1.00 0.00 N ATOM 441 CA GLN A 35 -9.427 7.834 -4.706 1.00 0.00 C ATOM 442 C GLN A 35 -10.084 6.563 -4.169 1.00 0.00 C ATOM 443 O GLN A 35 -11.104 6.124 -4.662 1.00 0.00 O ATOM 444 CB GLN A 35 -9.881 8.076 -6.147 1.00 0.00 C ATOM 445 CG GLN A 35 -10.124 9.571 -6.364 1.00 0.00 C ATOM 446 CD GLN A 35 -10.939 9.777 -7.642 1.00 0.00 C ATOM 447 OE1 GLN A 35 -10.438 9.590 -8.733 1.00 0.00 O ATOM 448 NE2 GLN A 35 -12.185 10.156 -7.552 1.00 0.00 N ATOM 0 H GLN A 35 -7.453 8.350 -4.088 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.718 8.684 -4.088 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -9.124 7.716 -6.843 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -10.793 7.516 -6.351 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -10.655 9.991 -5.510 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.173 10.098 -6.438 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -12.605 10.313 -6.636 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.738 10.295 -8.398 1.00 0.00 H new ATOM 457 N CYS A 36 -9.506 5.966 -3.163 1.00 0.00 N ATOM 458 CA CYS A 36 -10.098 4.722 -2.601 1.00 0.00 C ATOM 459 C CYS A 36 -10.090 3.632 -3.677 1.00 0.00 C ATOM 460 O CYS A 36 -10.935 2.760 -3.699 1.00 0.00 O ATOM 461 CB CYS A 36 -11.536 5.001 -2.157 1.00 0.00 C ATOM 462 SG CYS A 36 -11.591 6.533 -1.189 1.00 0.00 S ATOM 0 H CYS A 36 -8.651 6.286 -2.708 1.00 0.00 H new ATOM 0 HA CYS A 36 -9.515 4.389 -1.742 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -12.186 5.086 -3.028 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -11.910 4.169 -1.561 1.00 0.00 H new ATOM 467 N LYS A 37 -9.139 3.680 -4.573 1.00 0.00 N ATOM 468 CA LYS A 37 -9.072 2.651 -5.652 1.00 0.00 C ATOM 469 C LYS A 37 -7.628 2.164 -5.804 1.00 0.00 C ATOM 470 O LYS A 37 -6.704 2.765 -5.290 1.00 0.00 O ATOM 471 CB LYS A 37 -9.536 3.270 -6.973 1.00 0.00 C ATOM 472 CG LYS A 37 -10.795 2.554 -7.463 1.00 0.00 C ATOM 473 CD LYS A 37 -11.372 3.304 -8.667 1.00 0.00 C ATOM 474 CE LYS A 37 -12.852 2.953 -8.828 1.00 0.00 C ATOM 475 NZ LYS A 37 -12.982 1.534 -9.264 1.00 0.00 N ATOM 0 H LYS A 37 -8.405 4.388 -4.604 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.716 1.811 -5.393 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.740 4.332 -6.836 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.746 3.190 -7.720 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.558 1.527 -7.740 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.534 2.506 -6.663 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.256 4.379 -8.529 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.824 3.038 -9.571 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.377 3.104 -7.885 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.316 3.614 -9.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.984 1.315 -9.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.438 1.388 -10.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.615 0.907 -8.520 1.00 0.00 H new ATOM 489 N PHE A 38 -7.424 1.084 -6.507 1.00 0.00 N ATOM 490 CA PHE A 38 -6.038 0.570 -6.691 1.00 0.00 C ATOM 491 C PHE A 38 -5.285 1.480 -7.663 1.00 0.00 C ATOM 492 O PHE A 38 -5.737 1.741 -8.760 1.00 0.00 O ATOM 493 CB PHE A 38 -6.079 -0.847 -7.271 1.00 0.00 C ATOM 494 CG PHE A 38 -6.625 -1.819 -6.248 1.00 0.00 C ATOM 495 CD1 PHE A 38 -6.313 -1.669 -4.891 1.00 0.00 C ATOM 496 CD2 PHE A 38 -7.441 -2.877 -6.664 1.00 0.00 C ATOM 497 CE1 PHE A 38 -6.818 -2.578 -3.952 1.00 0.00 C ATOM 498 CE2 PHE A 38 -7.945 -3.786 -5.727 1.00 0.00 C ATOM 499 CZ PHE A 38 -7.633 -3.636 -4.371 1.00 0.00 C ATOM 0 H PHE A 38 -8.155 0.537 -6.961 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.534 0.554 -5.725 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -6.701 -0.863 -8.166 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -5.077 -1.152 -7.574 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -5.683 -0.853 -4.568 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -7.682 -2.992 -7.710 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -6.579 -2.462 -2.905 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -8.574 -4.602 -6.050 1.00 0.00 H new ATOM 0 HZ PHE A 38 -8.021 -4.337 -3.647 1.00 0.00 H new ATOM 509 N SER A 39 -4.137 1.960 -7.274 1.00 0.00 N ATOM 510 CA SER A 39 -3.355 2.843 -8.183 1.00 0.00 C ATOM 511 C SER A 39 -2.815 2.007 -9.346 1.00 0.00 C ATOM 512 O SER A 39 -3.155 0.851 -9.499 1.00 0.00 O ATOM 513 CB SER A 39 -2.191 3.463 -7.409 1.00 0.00 C ATOM 514 OG SER A 39 -2.699 4.402 -6.470 1.00 0.00 O ATOM 0 H SER A 39 -3.707 1.779 -6.367 1.00 0.00 H new ATOM 0 HA SER A 39 -3.993 3.638 -8.570 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.626 2.686 -6.894 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.503 3.955 -8.097 1.00 0.00 H new ATOM 0 HG SER A 39 -1.956 4.800 -5.971 1.00 0.00 H new ATOM 520 N ARG A 40 -1.977 2.576 -10.168 1.00 0.00 N ATOM 521 CA ARG A 40 -1.423 1.800 -11.314 1.00 0.00 C ATOM 522 C ARG A 40 0.013 1.380 -11.002 1.00 0.00 C ATOM 523 O ARG A 40 0.733 2.069 -10.307 1.00 0.00 O ATOM 524 CB ARG A 40 -1.433 2.670 -12.573 1.00 0.00 C ATOM 525 CG ARG A 40 -0.789 4.022 -12.264 1.00 0.00 C ATOM 526 CD ARG A 40 -1.861 5.114 -12.277 1.00 0.00 C ATOM 527 NE ARG A 40 -1.361 6.290 -13.043 1.00 0.00 N ATOM 528 CZ ARG A 40 -0.547 7.136 -12.478 1.00 0.00 C ATOM 529 NH1 ARG A 40 -0.981 7.931 -11.538 1.00 0.00 N ATOM 530 NH2 ARG A 40 0.703 7.189 -12.851 1.00 0.00 N ATOM 0 H ARG A 40 -1.653 3.540 -10.097 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.035 0.913 -11.478 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.890 2.172 -13.376 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.456 2.814 -12.921 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.300 3.990 -11.290 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.018 4.246 -13.001 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.777 4.734 -12.730 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.108 5.409 -11.257 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.656 6.433 -14.009 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.957 7.890 -11.246 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.344 8.593 -11.096 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.043 6.568 -13.585 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.340 7.852 -12.408 1.00 0.00 H new ATOM 544 N ALA A 41 0.437 0.253 -11.509 1.00 0.00 N ATOM 545 CA ALA A 41 1.828 -0.205 -11.242 1.00 0.00 C ATOM 546 C ALA A 41 2.786 0.968 -11.431 1.00 0.00 C ATOM 547 O ALA A 41 2.409 2.014 -11.921 1.00 0.00 O ATOM 548 CB ALA A 41 2.194 -1.329 -12.212 1.00 0.00 C ATOM 0 H ALA A 41 -0.120 -0.368 -12.095 1.00 0.00 H new ATOM 0 HA ALA A 41 1.901 -0.577 -10.220 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.213 -1.663 -12.015 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.506 -2.164 -12.078 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.124 -0.963 -13.236 1.00 0.00 H new ATOM 554 N GLY A 42 4.017 0.815 -11.039 1.00 0.00 N ATOM 555 CA GLY A 42 4.976 1.939 -11.192 1.00 0.00 C ATOM 556 C GLY A 42 4.591 3.036 -10.198 1.00 0.00 C ATOM 557 O GLY A 42 4.936 4.188 -10.363 1.00 0.00 O ATOM 0 H GLY A 42 4.399 -0.034 -10.622 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.994 1.598 -11.006 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.951 2.324 -12.211 1.00 0.00 H new ATOM 561 N LYS A 43 3.860 2.685 -9.170 1.00 0.00 N ATOM 562 CA LYS A 43 3.435 3.712 -8.174 1.00 0.00 C ATOM 563 C LYS A 43 4.430 3.756 -7.010 1.00 0.00 C ATOM 564 O LYS A 43 4.528 2.832 -6.228 1.00 0.00 O ATOM 565 CB LYS A 43 2.041 3.366 -7.643 1.00 0.00 C ATOM 566 CG LYS A 43 1.728 4.234 -6.423 1.00 0.00 C ATOM 567 CD LYS A 43 2.027 5.700 -6.745 1.00 0.00 C ATOM 568 CE LYS A 43 0.964 6.590 -6.099 1.00 0.00 C ATOM 569 NZ LYS A 43 0.500 7.606 -7.086 1.00 0.00 N ATOM 0 H LYS A 43 3.541 1.735 -8.979 1.00 0.00 H new ATOM 0 HA LYS A 43 3.409 4.688 -8.658 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.294 3.529 -8.420 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.995 2.311 -7.373 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.681 4.119 -6.142 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.325 3.909 -5.571 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.016 5.970 -6.376 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.037 5.852 -7.824 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.123 5.984 -5.762 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.374 7.084 -5.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.223 8.211 -6.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.306 8.191 -7.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.093 7.125 -7.914 1.00 0.00 H new ATOM 583 N ILE A 44 5.161 4.830 -6.889 1.00 0.00 N ATOM 584 CA ILE A 44 6.152 4.950 -5.781 1.00 0.00 C ATOM 585 C ILE A 44 5.455 4.748 -4.432 1.00 0.00 C ATOM 586 O ILE A 44 4.592 5.512 -4.048 1.00 0.00 O ATOM 587 CB ILE A 44 6.787 6.345 -5.822 1.00 0.00 C ATOM 588 CG1 ILE A 44 7.543 6.610 -4.516 1.00 0.00 C ATOM 589 CG2 ILE A 44 5.691 7.400 -5.995 1.00 0.00 C ATOM 590 CD1 ILE A 44 8.761 5.688 -4.434 1.00 0.00 C ATOM 0 H ILE A 44 5.114 5.635 -7.514 1.00 0.00 H new ATOM 0 HA ILE A 44 6.922 4.188 -5.902 1.00 0.00 H new ATOM 0 HB ILE A 44 7.483 6.397 -6.659 1.00 0.00 H new ATOM 0 HG12 ILE A 44 7.859 7.652 -4.472 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.887 6.439 -3.663 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.142 8.392 -6.024 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.154 7.218 -6.926 1.00 0.00 H new ATOM 0 HG23 ILE A 44 4.995 7.342 -5.158 1.00 0.00 H new ATOM 0 HD11 ILE A 44 9.298 5.877 -3.505 1.00 0.00 H new ATOM 0 HD12 ILE A 44 8.433 4.649 -4.459 1.00 0.00 H new ATOM 0 HD13 ILE A 44 9.421 5.880 -5.280 1.00 0.00 H new ATOM 602 N CYS A 45 5.835 3.732 -3.703 1.00 0.00 N ATOM 603 CA CYS A 45 5.206 3.490 -2.373 1.00 0.00 C ATOM 604 C CYS A 45 6.239 3.750 -1.269 1.00 0.00 C ATOM 605 O CYS A 45 5.899 3.924 -0.116 1.00 0.00 O ATOM 606 CB CYS A 45 4.713 2.044 -2.286 1.00 0.00 C ATOM 607 SG CYS A 45 6.063 0.914 -2.700 1.00 0.00 S ATOM 0 H CYS A 45 6.554 3.060 -3.972 1.00 0.00 H new ATOM 0 HA CYS A 45 4.358 4.163 -2.246 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.346 1.835 -1.281 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.877 1.893 -2.969 1.00 0.00 H new ATOM 612 N ARG A 46 7.498 3.782 -1.618 1.00 0.00 N ATOM 613 CA ARG A 46 8.557 4.038 -0.598 1.00 0.00 C ATOM 614 C ARG A 46 9.811 4.560 -1.304 1.00 0.00 C ATOM 615 O ARG A 46 10.090 4.208 -2.433 1.00 0.00 O ATOM 616 CB ARG A 46 8.887 2.740 0.143 1.00 0.00 C ATOM 617 CG ARG A 46 9.015 3.026 1.642 1.00 0.00 C ATOM 618 CD ARG A 46 8.864 1.722 2.430 1.00 0.00 C ATOM 619 NE ARG A 46 8.250 2.013 3.757 1.00 0.00 N ATOM 620 CZ ARG A 46 8.748 1.482 4.841 1.00 0.00 C ATOM 621 NH1 ARG A 46 10.040 1.345 4.968 1.00 0.00 N ATOM 622 NH2 ARG A 46 7.954 1.088 5.799 1.00 0.00 N ATOM 0 H ARG A 46 7.840 3.641 -2.569 1.00 0.00 H new ATOM 0 HA ARG A 46 8.203 4.777 0.121 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.106 2.000 -0.031 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.817 2.317 -0.238 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.983 3.481 1.854 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.252 3.740 1.952 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.242 1.019 1.876 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.837 1.250 2.563 1.00 0.00 H new ATOM 0 HE ARG A 46 7.439 2.628 3.818 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.661 1.653 4.220 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.428 0.930 5.815 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.944 1.195 5.701 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.343 0.673 6.646 1.00 0.00 H new ATOM 636 N ILE A 47 10.564 5.406 -0.657 1.00 0.00 N ATOM 637 CA ILE A 47 11.786 5.957 -1.306 1.00 0.00 C ATOM 638 C ILE A 47 13.041 5.495 -0.548 1.00 0.00 C ATOM 639 O ILE A 47 13.106 5.613 0.660 1.00 0.00 O ATOM 640 CB ILE A 47 11.713 7.485 -1.286 1.00 0.00 C ATOM 641 CG1 ILE A 47 12.748 8.060 -2.254 1.00 0.00 C ATOM 642 CG2 ILE A 47 12.000 7.996 0.127 1.00 0.00 C ATOM 643 CD1 ILE A 47 12.316 9.464 -2.677 1.00 0.00 C ATOM 0 H ILE A 47 10.386 5.739 0.291 1.00 0.00 H new ATOM 0 HA ILE A 47 11.843 5.599 -2.334 1.00 0.00 H new ATOM 0 HB ILE A 47 10.715 7.801 -1.590 1.00 0.00 H new ATOM 0 HG12 ILE A 47 13.728 8.096 -1.778 1.00 0.00 H new ATOM 0 HG13 ILE A 47 12.842 7.417 -3.129 1.00 0.00 H new ATOM 0 HG21 ILE A 47 11.947 9.085 0.138 1.00 0.00 H new ATOM 0 HG22 ILE A 47 11.261 7.590 0.818 1.00 0.00 H new ATOM 0 HG23 ILE A 47 12.996 7.678 0.434 1.00 0.00 H new ATOM 0 HD11 ILE A 47 13.051 9.878 -3.367 1.00 0.00 H new ATOM 0 HD12 ILE A 47 11.345 9.413 -3.169 1.00 0.00 H new ATOM 0 HD13 ILE A 47 12.244 10.103 -1.797 1.00 0.00 H new ATOM 655 N PRO A 48 14.006 4.995 -1.282 1.00 0.00 N ATOM 656 CA PRO A 48 15.275 4.521 -0.706 1.00 0.00 C ATOM 657 C PRO A 48 16.199 5.710 -0.428 1.00 0.00 C ATOM 658 O PRO A 48 16.239 6.663 -1.181 1.00 0.00 O ATOM 659 CB PRO A 48 15.859 3.628 -1.804 1.00 0.00 C ATOM 660 CG PRO A 48 15.204 4.085 -3.129 1.00 0.00 C ATOM 661 CD PRO A 48 13.922 4.850 -2.749 1.00 0.00 C ATOM 0 HA PRO A 48 15.150 3.995 0.240 1.00 0.00 H new ATOM 0 HB2 PRO A 48 16.943 3.729 -1.851 1.00 0.00 H new ATOM 0 HB3 PRO A 48 15.645 2.578 -1.606 1.00 0.00 H new ATOM 0 HG2 PRO A 48 15.882 4.723 -3.696 1.00 0.00 H new ATOM 0 HG3 PRO A 48 14.970 3.228 -3.761 1.00 0.00 H new ATOM 0 HD2 PRO A 48 13.877 5.821 -3.243 1.00 0.00 H new ATOM 0 HD3 PRO A 48 13.028 4.300 -3.044 1.00 0.00 H new ATOM 669 N ARG A 49 16.942 5.665 0.642 1.00 0.00 N ATOM 670 CA ARG A 49 17.857 6.798 0.955 1.00 0.00 C ATOM 671 C ARG A 49 19.150 6.650 0.151 1.00 0.00 C ATOM 672 O ARG A 49 20.084 5.998 0.573 1.00 0.00 O ATOM 673 CB ARG A 49 18.179 6.799 2.451 1.00 0.00 C ATOM 674 CG ARG A 49 19.059 8.006 2.779 1.00 0.00 C ATOM 675 CD ARG A 49 18.179 9.173 3.232 1.00 0.00 C ATOM 676 NE ARG A 49 19.030 10.215 3.872 1.00 0.00 N ATOM 677 CZ ARG A 49 19.748 11.015 3.133 1.00 0.00 C ATOM 678 NH1 ARG A 49 19.243 11.527 2.045 1.00 0.00 N ATOM 679 NH2 ARG A 49 20.971 11.305 3.483 1.00 0.00 N ATOM 0 H ARG A 49 16.956 4.896 1.312 1.00 0.00 H new ATOM 0 HA ARG A 49 17.373 7.738 0.690 1.00 0.00 H new ATOM 0 HB2 ARG A 49 17.258 6.837 3.033 1.00 0.00 H new ATOM 0 HB3 ARG A 49 18.691 5.876 2.725 1.00 0.00 H new ATOM 0 HG2 ARG A 49 19.771 7.748 3.563 1.00 0.00 H new ATOM 0 HG3 ARG A 49 19.640 8.294 1.903 1.00 0.00 H new ATOM 0 HD2 ARG A 49 17.648 9.595 2.379 1.00 0.00 H new ATOM 0 HD3 ARG A 49 17.424 8.822 3.935 1.00 0.00 H new ATOM 0 HE ARG A 49 19.051 10.303 4.888 1.00 0.00 H new ATOM 0 HH11 ARG A 49 18.286 11.302 1.772 1.00 0.00 H new ATOM 0 HH12 ARG A 49 19.805 12.153 1.467 1.00 0.00 H new ATOM 0 HH21 ARG A 49 21.366 10.906 4.335 1.00 0.00 H new ATOM 0 HH22 ARG A 49 21.532 11.931 2.905 1.00 0.00 H new ATOM 693 N GLY A 50 19.210 7.252 -1.007 1.00 0.00 N ATOM 694 CA GLY A 50 20.442 7.146 -1.838 1.00 0.00 C ATOM 695 C GLY A 50 20.052 6.950 -3.305 1.00 0.00 C ATOM 696 O GLY A 50 18.931 7.201 -3.697 1.00 0.00 O ATOM 0 H GLY A 50 18.460 7.812 -1.412 1.00 0.00 H new ATOM 0 HA2 GLY A 50 21.046 8.047 -1.728 1.00 0.00 H new ATOM 0 HA3 GLY A 50 21.052 6.309 -1.498 1.00 0.00 H new ATOM 700 N GLU A 51 20.969 6.502 -4.119 1.00 0.00 N ATOM 701 CA GLU A 51 20.647 6.290 -5.559 1.00 0.00 C ATOM 702 C GLU A 51 19.951 4.937 -5.735 1.00 0.00 C ATOM 703 O GLU A 51 19.657 4.519 -6.837 1.00 0.00 O ATOM 704 CB GLU A 51 21.938 6.304 -6.382 1.00 0.00 C ATOM 705 CG GLU A 51 22.567 7.697 -6.329 1.00 0.00 C ATOM 706 CD GLU A 51 23.342 7.955 -7.624 1.00 0.00 C ATOM 707 OE1 GLU A 51 24.328 7.273 -7.847 1.00 0.00 O ATOM 708 OE2 GLU A 51 22.935 8.831 -8.370 1.00 0.00 O ATOM 0 H GLU A 51 21.926 6.274 -3.850 1.00 0.00 H new ATOM 0 HA GLU A 51 19.988 7.088 -5.901 1.00 0.00 H new ATOM 0 HB2 GLU A 51 22.637 5.564 -5.993 1.00 0.00 H new ATOM 0 HB3 GLU A 51 21.725 6.029 -7.415 1.00 0.00 H new ATOM 0 HG2 GLU A 51 21.793 8.453 -6.199 1.00 0.00 H new ATOM 0 HG3 GLU A 51 23.235 7.774 -5.471 1.00 0.00 H new ATOM 715 N MET A 52 19.688 4.247 -4.658 1.00 0.00 N ATOM 716 CA MET A 52 19.015 2.922 -4.766 1.00 0.00 C ATOM 717 C MET A 52 17.781 3.042 -5.667 1.00 0.00 C ATOM 718 O MET A 52 17.349 4.132 -5.984 1.00 0.00 O ATOM 719 CB MET A 52 18.588 2.453 -3.374 1.00 0.00 C ATOM 720 CG MET A 52 19.433 1.248 -2.960 1.00 0.00 C ATOM 721 SD MET A 52 20.269 1.608 -1.394 1.00 0.00 S ATOM 722 CE MET A 52 18.902 1.156 -0.297 1.00 0.00 C ATOM 0 H MET A 52 19.910 4.544 -3.708 1.00 0.00 H new ATOM 0 HA MET A 52 19.707 2.199 -5.198 1.00 0.00 H new ATOM 0 HB2 MET A 52 18.710 3.261 -2.653 1.00 0.00 H new ATOM 0 HB3 MET A 52 17.531 2.186 -3.377 1.00 0.00 H new ATOM 0 HG2 MET A 52 18.801 0.366 -2.853 1.00 0.00 H new ATOM 0 HG3 MET A 52 20.167 1.022 -3.733 1.00 0.00 H new ATOM 0 HE1 MET A 52 19.204 1.304 0.740 1.00 0.00 H new ATOM 0 HE2 MET A 52 18.037 1.782 -0.516 1.00 0.00 H new ATOM 0 HE3 MET A 52 18.641 0.109 -0.453 1.00 0.00 H new ATOM 732 N PRO A 53 17.249 1.908 -6.051 1.00 0.00 N ATOM 733 CA PRO A 53 16.057 1.841 -6.917 1.00 0.00 C ATOM 734 C PRO A 53 14.792 2.142 -6.108 1.00 0.00 C ATOM 735 O PRO A 53 14.602 1.632 -5.021 1.00 0.00 O ATOM 736 CB PRO A 53 16.058 0.396 -7.420 1.00 0.00 C ATOM 737 CG PRO A 53 16.891 -0.420 -6.401 1.00 0.00 C ATOM 738 CD PRO A 53 17.785 0.590 -5.657 1.00 0.00 C ATOM 0 HA PRO A 53 16.075 2.567 -7.730 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.042 0.008 -7.490 1.00 0.00 H new ATOM 0 HB3 PRO A 53 16.493 0.332 -8.417 1.00 0.00 H new ATOM 0 HG2 PRO A 53 16.241 -0.949 -5.704 1.00 0.00 H new ATOM 0 HG3 PRO A 53 17.495 -1.173 -6.908 1.00 0.00 H new ATOM 0 HD2 PRO A 53 17.735 0.446 -4.578 1.00 0.00 H new ATOM 0 HD3 PRO A 53 18.831 0.483 -5.945 1.00 0.00 H new ATOM 746 N ASP A 54 13.929 2.972 -6.626 1.00 0.00 N ATOM 747 CA ASP A 54 12.681 3.316 -5.887 1.00 0.00 C ATOM 748 C ASP A 54 11.705 2.136 -5.923 1.00 0.00 C ATOM 749 O ASP A 54 11.750 1.306 -6.810 1.00 0.00 O ATOM 750 CB ASP A 54 12.029 4.537 -6.540 1.00 0.00 C ATOM 751 CG ASP A 54 13.101 5.583 -6.853 1.00 0.00 C ATOM 752 OD1 ASP A 54 13.726 6.059 -5.920 1.00 0.00 O ATOM 753 OD2 ASP A 54 13.279 5.889 -8.020 1.00 0.00 O ATOM 0 H ASP A 54 14.035 3.428 -7.532 1.00 0.00 H new ATOM 0 HA ASP A 54 12.929 3.539 -4.849 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.516 4.242 -7.455 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.277 4.960 -5.874 1.00 0.00 H new ATOM 758 N ASP A 55 10.818 2.061 -4.966 1.00 0.00 N ATOM 759 CA ASP A 55 9.834 0.942 -4.942 1.00 0.00 C ATOM 760 C ASP A 55 8.550 1.388 -5.645 1.00 0.00 C ATOM 761 O ASP A 55 8.133 2.524 -5.531 1.00 0.00 O ATOM 762 CB ASP A 55 9.521 0.569 -3.491 1.00 0.00 C ATOM 763 CG ASP A 55 8.724 -0.736 -3.457 1.00 0.00 C ATOM 764 OD1 ASP A 55 7.753 -0.834 -4.188 1.00 0.00 O ATOM 765 OD2 ASP A 55 9.099 -1.616 -2.699 1.00 0.00 O ATOM 0 H ASP A 55 10.733 2.728 -4.199 1.00 0.00 H new ATOM 0 HA ASP A 55 10.250 0.075 -5.455 1.00 0.00 H new ATOM 0 HB2 ASP A 55 10.446 0.456 -2.926 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.952 1.367 -3.014 1.00 0.00 H new ATOM 770 N ARG A 56 7.920 0.508 -6.377 1.00 0.00 N ATOM 771 CA ARG A 56 6.667 0.896 -7.089 1.00 0.00 C ATOM 772 C ARG A 56 5.620 -0.205 -6.941 1.00 0.00 C ATOM 773 O ARG A 56 5.893 -1.370 -7.148 1.00 0.00 O ATOM 774 CB ARG A 56 6.963 1.108 -8.571 1.00 0.00 C ATOM 775 CG ARG A 56 8.057 2.165 -8.732 1.00 0.00 C ATOM 776 CD ARG A 56 7.437 3.471 -9.232 1.00 0.00 C ATOM 777 NE ARG A 56 8.483 4.531 -9.280 1.00 0.00 N ATOM 778 CZ ARG A 56 9.201 4.687 -10.358 1.00 0.00 C ATOM 779 NH1 ARG A 56 8.622 4.965 -11.494 1.00 0.00 N ATOM 780 NH2 ARG A 56 10.499 4.564 -10.300 1.00 0.00 N ATOM 0 H ARG A 56 8.217 -0.458 -6.513 1.00 0.00 H new ATOM 0 HA ARG A 56 6.286 1.820 -6.654 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.280 0.170 -9.026 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.059 1.425 -9.091 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.560 2.331 -7.779 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.813 1.817 -9.436 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.006 3.326 -10.222 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.625 3.776 -8.572 1.00 0.00 H new ATOM 0 HE ARG A 56 8.637 5.134 -8.472 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.607 5.060 -11.539 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.184 5.087 -12.336 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.951 4.346 -9.412 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.061 4.686 -11.142 1.00 0.00 H new ATOM 794 N CYS A 57 4.414 0.161 -6.598 1.00 0.00 N ATOM 795 CA CYS A 57 3.344 -0.861 -6.456 1.00 0.00 C ATOM 796 C CYS A 57 3.050 -1.451 -7.829 1.00 0.00 C ATOM 797 O CYS A 57 3.383 -0.868 -8.844 1.00 0.00 O ATOM 798 CB CYS A 57 2.073 -0.211 -5.907 1.00 0.00 C ATOM 799 SG CYS A 57 2.318 0.229 -4.170 1.00 0.00 S ATOM 0 H CYS A 57 4.127 1.122 -6.411 1.00 0.00 H new ATOM 0 HA CYS A 57 3.671 -1.642 -5.769 1.00 0.00 H new ATOM 0 HB2 CYS A 57 1.828 0.679 -6.487 1.00 0.00 H new ATOM 0 HB3 CYS A 57 1.231 -0.896 -6.004 1.00 0.00 H new ATOM 804 N THR A 58 2.431 -2.599 -7.867 1.00 0.00 N ATOM 805 CA THR A 58 2.108 -3.234 -9.174 1.00 0.00 C ATOM 806 C THR A 58 0.777 -2.684 -9.692 1.00 0.00 C ATOM 807 O THR A 58 0.189 -3.218 -10.610 1.00 0.00 O ATOM 808 CB THR A 58 1.997 -4.749 -8.985 1.00 0.00 C ATOM 809 OG1 THR A 58 0.817 -5.044 -8.250 1.00 0.00 O ATOM 810 CG2 THR A 58 3.217 -5.261 -8.220 1.00 0.00 C ATOM 0 H THR A 58 2.134 -3.126 -7.045 1.00 0.00 H new ATOM 0 HA THR A 58 2.896 -3.013 -9.894 1.00 0.00 H new ATOM 0 HB THR A 58 1.953 -5.236 -9.959 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.741 -6.013 -8.128 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.136 -6.340 -8.086 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.122 -5.032 -8.783 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.264 -4.777 -7.244 1.00 0.00 H new ATOM 818 N GLY A 59 0.298 -1.620 -9.106 1.00 0.00 N ATOM 819 CA GLY A 59 -0.996 -1.039 -9.565 1.00 0.00 C ATOM 820 C GLY A 59 -2.150 -1.829 -8.950 1.00 0.00 C ATOM 821 O GLY A 59 -3.053 -1.271 -8.359 1.00 0.00 O ATOM 0 H GLY A 59 0.745 -1.129 -8.332 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.061 0.009 -9.273 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.057 -1.071 -10.653 1.00 0.00 H new ATOM 825 N GLN A 60 -2.129 -3.127 -9.084 1.00 0.00 N ATOM 826 CA GLN A 60 -3.226 -3.952 -8.507 1.00 0.00 C ATOM 827 C GLN A 60 -2.958 -4.196 -7.020 1.00 0.00 C ATOM 828 O GLN A 60 -3.729 -4.844 -6.339 1.00 0.00 O ATOM 829 CB GLN A 60 -3.296 -5.293 -9.241 1.00 0.00 C ATOM 830 CG GLN A 60 -3.013 -5.078 -10.729 1.00 0.00 C ATOM 831 CD GLN A 60 -3.411 -6.331 -11.509 1.00 0.00 C ATOM 832 OE1 GLN A 60 -4.341 -7.020 -11.140 1.00 0.00 O ATOM 833 NE2 GLN A 60 -2.743 -6.659 -12.581 1.00 0.00 N ATOM 0 H GLN A 60 -1.400 -3.651 -9.568 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.173 -3.425 -8.621 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.570 -5.988 -8.819 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.281 -5.741 -9.109 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.571 -4.216 -11.095 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -1.956 -4.862 -10.882 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.962 -6.081 -12.892 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.002 -7.493 -13.108 1.00 0.00 H new ATOM 842 N SER A 61 -1.872 -3.683 -6.506 1.00 0.00 N ATOM 843 CA SER A 61 -1.561 -3.889 -5.063 1.00 0.00 C ATOM 844 C SER A 61 -1.772 -2.578 -4.302 1.00 0.00 C ATOM 845 O SER A 61 -1.046 -1.621 -4.483 1.00 0.00 O ATOM 846 CB SER A 61 -0.106 -4.334 -4.916 1.00 0.00 C ATOM 847 OG SER A 61 0.317 -4.127 -3.574 1.00 0.00 O ATOM 0 H SER A 61 -1.188 -3.131 -7.023 1.00 0.00 H new ATOM 0 HA SER A 61 -2.220 -4.655 -4.655 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.007 -5.386 -5.182 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.529 -3.771 -5.600 1.00 0.00 H new ATOM 0 HG SER A 61 0.678 -3.221 -3.481 1.00 0.00 H new ATOM 853 N ALA A 62 -2.759 -2.529 -3.450 1.00 0.00 N ATOM 854 CA ALA A 62 -3.015 -1.281 -2.677 1.00 0.00 C ATOM 855 C ALA A 62 -1.867 -1.049 -1.694 1.00 0.00 C ATOM 856 O ALA A 62 -1.408 0.060 -1.510 1.00 0.00 O ATOM 857 CB ALA A 62 -4.330 -1.419 -1.906 1.00 0.00 C ATOM 0 H ALA A 62 -3.399 -3.299 -3.256 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.084 -0.435 -3.361 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.518 -0.506 -1.340 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.147 -1.586 -2.608 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.263 -2.264 -1.220 1.00 0.00 H new ATOM 863 N ASP A 63 -1.396 -2.090 -1.063 1.00 0.00 N ATOM 864 CA ASP A 63 -0.276 -1.930 -0.095 1.00 0.00 C ATOM 865 C ASP A 63 1.056 -2.010 -0.845 1.00 0.00 C ATOM 866 O ASP A 63 1.095 -2.273 -2.030 1.00 0.00 O ATOM 867 CB ASP A 63 -0.341 -3.047 0.949 1.00 0.00 C ATOM 868 CG ASP A 63 -1.685 -2.988 1.676 1.00 0.00 C ATOM 869 OD1 ASP A 63 -2.658 -2.601 1.051 1.00 0.00 O ATOM 870 OD2 ASP A 63 -1.718 -3.331 2.847 1.00 0.00 O ATOM 0 H ASP A 63 -1.739 -3.044 -1.177 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.358 -0.964 0.402 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.218 -4.017 0.467 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.476 -2.940 1.663 1.00 0.00 H new ATOM 875 N CYS A 64 2.146 -1.785 -0.166 1.00 0.00 N ATOM 876 CA CYS A 64 3.471 -1.849 -0.846 1.00 0.00 C ATOM 877 C CYS A 64 4.356 -2.875 -0.146 1.00 0.00 C ATOM 878 O CYS A 64 4.774 -2.676 0.977 1.00 0.00 O ATOM 879 CB CYS A 64 4.137 -0.476 -0.811 1.00 0.00 C ATOM 880 SG CYS A 64 5.845 -0.617 -1.399 1.00 0.00 S ATOM 0 H CYS A 64 2.178 -1.560 0.828 1.00 0.00 H new ATOM 0 HA CYS A 64 3.330 -2.148 -1.885 1.00 0.00 H new ATOM 0 HB2 CYS A 64 3.583 0.225 -1.436 1.00 0.00 H new ATOM 0 HB3 CYS A 64 4.122 -0.079 0.204 1.00 0.00 H new ATOM 885 N PRO A 65 4.609 -3.951 -0.842 1.00 0.00 N ATOM 886 CA PRO A 65 5.434 -5.049 -0.334 1.00 0.00 C ATOM 887 C PRO A 65 6.920 -4.725 -0.508 1.00 0.00 C ATOM 888 O PRO A 65 7.579 -4.271 0.407 1.00 0.00 O ATOM 889 CB PRO A 65 5.024 -6.228 -1.215 1.00 0.00 C ATOM 890 CG PRO A 65 4.425 -5.639 -2.510 1.00 0.00 C ATOM 891 CD PRO A 65 4.089 -4.174 -2.209 1.00 0.00 C ATOM 0 HA PRO A 65 5.292 -5.244 0.729 1.00 0.00 H new ATOM 0 HB2 PRO A 65 5.884 -6.858 -1.440 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.294 -6.856 -0.704 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.135 -5.713 -3.334 1.00 0.00 H new ATOM 0 HG3 PRO A 65 3.532 -6.188 -2.809 1.00 0.00 H new ATOM 0 HD2 PRO A 65 4.559 -3.503 -2.928 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.015 -3.994 -2.260 1.00 0.00 H new ATOM 899 N ARG A 66 7.451 -4.956 -1.678 1.00 0.00 N ATOM 900 CA ARG A 66 8.892 -4.663 -1.915 1.00 0.00 C ATOM 901 C ARG A 66 9.120 -4.427 -3.408 1.00 0.00 C ATOM 902 O ARG A 66 8.243 -4.641 -4.221 1.00 0.00 O ATOM 903 CB ARG A 66 9.736 -5.851 -1.452 1.00 0.00 C ATOM 904 CG ARG A 66 9.399 -7.079 -2.300 1.00 0.00 C ATOM 905 CD ARG A 66 8.374 -7.944 -1.565 1.00 0.00 C ATOM 906 NE ARG A 66 7.651 -8.800 -2.549 1.00 0.00 N ATOM 907 CZ ARG A 66 6.430 -9.188 -2.302 1.00 0.00 C ATOM 908 NH1 ARG A 66 6.196 -10.038 -1.340 1.00 0.00 N ATOM 909 NH2 ARG A 66 5.442 -8.726 -3.018 1.00 0.00 N ATOM 0 H ARG A 66 6.948 -5.335 -2.480 1.00 0.00 H new ATOM 0 HA ARG A 66 9.181 -3.773 -1.356 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.796 -5.614 -1.541 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.544 -6.059 -0.399 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.002 -6.768 -3.266 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.302 -7.656 -2.497 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.873 -8.567 -0.822 1.00 0.00 H new ATOM 0 HD3 ARG A 66 7.667 -7.312 -1.028 1.00 0.00 H new ATOM 0 HE ARG A 66 8.111 -9.082 -3.415 1.00 0.00 H new ATOM 0 HH11 ARG A 66 6.968 -10.400 -0.780 1.00 0.00 H new ATOM 0 HH12 ARG A 66 5.241 -10.341 -1.148 1.00 0.00 H new ATOM 0 HH21 ARG A 66 5.624 -8.062 -3.770 1.00 0.00 H new ATOM 0 HH22 ARG A 66 4.487 -9.029 -2.825 1.00 0.00 H new