USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 431 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 -100:sc= -1.87! USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -2.62! C(o=-2.6!,f=-6.4!) USER MOD Single : A 18 THR OG1 : rot -24:sc= -1.3! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.026 X(o=-0.026,f=0.29!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= -0.691 USER MOD Single : A 43 LYS NZ :NH3+ -150:sc= -0.0466 (180deg=-0.471) USER MOD Single : A 53 ASN : amide:sc= -0.167 K(o=-0.17,f=-2!) USER MOD Single : A 58 THR OG1 : rot -150:sc= 0.12 USER MOD Single : A 60 GLN : amide:sc= -0.445 K(o=-0.44,f=-2.9!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.413 K(o=-0.41,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 30 N GLU A 3 -17.945 -5.246 1.509 1.00 0.00 N ATOM 31 CA GLU A 3 -18.217 -4.380 0.326 1.00 0.00 C ATOM 32 C GLU A 3 -17.650 -2.986 0.579 1.00 0.00 C ATOM 33 O GLU A 3 -18.139 -2.005 0.061 1.00 0.00 O ATOM 34 CB GLU A 3 -19.727 -4.285 0.100 1.00 0.00 C ATOM 35 CG GLU A 3 -20.380 -3.592 1.297 1.00 0.00 C ATOM 36 CD GLU A 3 -21.005 -4.641 2.217 1.00 0.00 C ATOM 37 OE1 GLU A 3 -22.027 -5.194 1.844 1.00 0.00 O ATOM 38 OE2 GLU A 3 -20.453 -4.874 3.279 1.00 0.00 O ATOM 0 HA GLU A 3 -17.745 -4.810 -0.558 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -19.934 -3.728 -0.814 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -20.149 -5.281 -0.032 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -19.637 -3.010 1.843 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -21.143 -2.893 0.954 1.00 0.00 H new ATOM 45 N CYS A 4 -16.616 -2.891 1.364 1.00 0.00 N ATOM 46 CA CYS A 4 -16.012 -1.560 1.640 1.00 0.00 C ATOM 47 C CYS A 4 -14.504 -1.645 1.399 1.00 0.00 C ATOM 48 O CYS A 4 -13.726 -1.873 2.303 1.00 0.00 O ATOM 49 CB CYS A 4 -16.292 -1.155 3.090 1.00 0.00 C ATOM 50 SG CYS A 4 -18.042 -0.707 3.285 1.00 0.00 S ATOM 0 H CYS A 4 -16.162 -3.678 1.827 1.00 0.00 H new ATOM 0 HA CYS A 4 -16.446 -0.810 0.979 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -16.042 -1.977 3.760 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -15.659 -0.312 3.369 1.00 0.00 H new ATOM 55 N ASP A 5 -14.096 -1.461 0.175 1.00 0.00 N ATOM 56 CA ASP A 5 -12.648 -1.525 -0.160 1.00 0.00 C ATOM 57 C ASP A 5 -11.941 -0.293 0.404 1.00 0.00 C ATOM 58 O ASP A 5 -10.734 -0.268 0.552 1.00 0.00 O ATOM 59 CB ASP A 5 -12.484 -1.556 -1.682 1.00 0.00 C ATOM 60 CG ASP A 5 -11.069 -2.012 -2.036 1.00 0.00 C ATOM 61 OD1 ASP A 5 -10.178 -1.178 -2.021 1.00 0.00 O ATOM 62 OD2 ASP A 5 -10.898 -3.187 -2.315 1.00 0.00 O ATOM 0 H ASP A 5 -14.711 -1.267 -0.615 1.00 0.00 H new ATOM 0 HA ASP A 5 -12.210 -2.424 0.274 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -13.216 -2.233 -2.123 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -12.673 -0.567 -2.098 1.00 0.00 H new ATOM 67 N CYS A 6 -12.683 0.732 0.719 1.00 0.00 N ATOM 68 CA CYS A 6 -12.056 1.965 1.271 1.00 0.00 C ATOM 69 C CYS A 6 -12.661 2.275 2.641 1.00 0.00 C ATOM 70 O CYS A 6 -13.654 1.697 3.038 1.00 0.00 O ATOM 71 CB CYS A 6 -12.315 3.136 0.322 1.00 0.00 C ATOM 72 SG CYS A 6 -14.099 3.417 0.187 1.00 0.00 S ATOM 0 H CYS A 6 -13.697 0.769 0.618 1.00 0.00 H new ATOM 0 HA CYS A 6 -10.982 1.812 1.375 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -11.821 4.034 0.692 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -11.894 2.922 -0.660 1.00 0.00 H new ATOM 77 N SER A 7 -12.072 3.185 3.366 1.00 0.00 N ATOM 78 CA SER A 7 -12.613 3.533 4.710 1.00 0.00 C ATOM 79 C SER A 7 -12.991 5.016 4.740 1.00 0.00 C ATOM 80 O SER A 7 -13.405 5.539 5.756 1.00 0.00 O ATOM 81 CB SER A 7 -11.551 3.255 5.773 1.00 0.00 C ATOM 82 OG SER A 7 -10.300 3.025 5.139 1.00 0.00 O ATOM 0 H SER A 7 -11.239 3.703 3.086 1.00 0.00 H new ATOM 0 HA SER A 7 -13.498 2.930 4.914 1.00 0.00 H new ATOM 0 HB2 SER A 7 -11.475 4.100 6.457 1.00 0.00 H new ATOM 0 HB3 SER A 7 -11.835 2.387 6.369 1.00 0.00 H new ATOM 0 HG SER A 7 -10.130 2.061 5.092 1.00 0.00 H new ATOM 88 N SER A 8 -12.853 5.698 3.635 1.00 0.00 N ATOM 89 CA SER A 8 -13.206 7.145 3.606 1.00 0.00 C ATOM 90 C SER A 8 -14.494 7.337 2.793 1.00 0.00 C ATOM 91 O SER A 8 -14.543 6.982 1.631 1.00 0.00 O ATOM 92 CB SER A 8 -12.070 7.931 2.949 1.00 0.00 C ATOM 93 OG SER A 8 -10.985 8.038 3.861 1.00 0.00 O ATOM 0 H SER A 8 -12.512 5.316 2.753 1.00 0.00 H new ATOM 0 HA SER A 8 -13.358 7.505 4.624 1.00 0.00 H new ATOM 0 HB2 SER A 8 -11.746 7.430 2.037 1.00 0.00 H new ATOM 0 HB3 SER A 8 -12.418 8.923 2.661 1.00 0.00 H new ATOM 0 HG SER A 8 -10.254 8.540 3.443 1.00 0.00 H new ATOM 99 N PRO A 9 -15.501 7.893 3.422 1.00 0.00 N ATOM 100 CA PRO A 9 -16.800 8.142 2.771 1.00 0.00 C ATOM 101 C PRO A 9 -16.716 9.375 1.866 1.00 0.00 C ATOM 102 O PRO A 9 -17.698 9.802 1.291 1.00 0.00 O ATOM 103 CB PRO A 9 -17.750 8.389 3.946 1.00 0.00 C ATOM 104 CG PRO A 9 -16.865 8.827 5.138 1.00 0.00 C ATOM 105 CD PRO A 9 -15.440 8.326 4.833 1.00 0.00 C ATOM 0 HA PRO A 9 -17.125 7.320 2.134 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -18.480 9.160 3.700 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -18.310 7.486 4.189 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -16.879 9.911 5.253 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -17.234 8.402 6.072 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -14.702 9.115 4.976 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -15.158 7.503 5.490 1.00 0.00 H new ATOM 113 N GLU A 10 -15.551 9.948 1.734 1.00 0.00 N ATOM 114 CA GLU A 10 -15.407 11.151 0.867 1.00 0.00 C ATOM 115 C GLU A 10 -14.230 10.951 -0.089 1.00 0.00 C ATOM 116 O GLU A 10 -13.514 11.879 -0.409 1.00 0.00 O ATOM 117 CB GLU A 10 -15.150 12.381 1.738 1.00 0.00 C ATOM 118 CG GLU A 10 -16.430 12.751 2.490 1.00 0.00 C ATOM 119 CD GLU A 10 -16.126 12.874 3.985 1.00 0.00 C ATOM 120 OE1 GLU A 10 -15.536 11.954 4.526 1.00 0.00 O ATOM 121 OE2 GLU A 10 -16.488 13.886 4.561 1.00 0.00 O ATOM 0 H GLU A 10 -14.693 9.635 2.189 1.00 0.00 H new ATOM 0 HA GLU A 10 -16.323 11.297 0.294 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.346 12.177 2.445 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.825 13.217 1.118 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -16.828 13.692 2.110 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -17.194 11.991 2.325 1.00 0.00 H new ATOM 128 N ASN A 11 -14.020 9.747 -0.546 1.00 0.00 N ATOM 129 CA ASN A 11 -12.885 9.493 -1.477 1.00 0.00 C ATOM 130 C ASN A 11 -13.425 9.274 -2.896 1.00 0.00 C ATOM 131 O ASN A 11 -14.412 8.589 -3.080 1.00 0.00 O ATOM 132 CB ASN A 11 -12.132 8.241 -1.021 1.00 0.00 C ATOM 133 CG ASN A 11 -10.628 8.451 -1.197 1.00 0.00 C ATOM 134 OD1 ASN A 11 -10.163 9.570 -1.273 1.00 0.00 O ATOM 135 ND2 ASN A 11 -9.842 7.411 -1.266 1.00 0.00 N ATOM 0 H ASN A 11 -14.585 8.929 -0.315 1.00 0.00 H new ATOM 0 HA ASN A 11 -12.211 10.350 -1.475 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -12.359 8.029 0.024 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -12.459 7.377 -1.600 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -8.837 7.538 -1.384 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.233 6.471 -1.202 1.00 0.00 H new ATOM 142 N PRO A 12 -12.757 9.858 -3.861 1.00 0.00 N ATOM 143 CA PRO A 12 -13.145 9.736 -5.278 1.00 0.00 C ATOM 144 C PRO A 12 -12.687 8.383 -5.829 1.00 0.00 C ATOM 145 O PRO A 12 -13.404 7.718 -6.550 1.00 0.00 O ATOM 146 CB PRO A 12 -12.395 10.886 -5.955 1.00 0.00 C ATOM 147 CG PRO A 12 -11.205 11.236 -5.030 1.00 0.00 C ATOM 148 CD PRO A 12 -11.558 10.690 -3.633 1.00 0.00 C ATOM 0 HA PRO A 12 -14.222 9.787 -5.441 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -12.044 10.592 -6.944 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -13.048 11.748 -6.091 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -10.282 10.788 -5.399 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -11.045 12.314 -4.996 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -10.739 10.103 -3.216 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -11.761 11.497 -2.930 1.00 0.00 H new ATOM 156 N CYS A 13 -11.497 7.970 -5.486 1.00 0.00 N ATOM 157 CA CYS A 13 -10.989 6.660 -5.979 1.00 0.00 C ATOM 158 C CYS A 13 -11.959 5.555 -5.556 1.00 0.00 C ATOM 159 O CYS A 13 -12.108 4.550 -6.225 1.00 0.00 O ATOM 160 CB CYS A 13 -9.614 6.388 -5.364 1.00 0.00 C ATOM 161 SG CYS A 13 -8.465 7.705 -5.839 1.00 0.00 S ATOM 0 H CYS A 13 -10.854 8.485 -4.884 1.00 0.00 H new ATOM 0 HA CYS A 13 -10.906 6.682 -7.066 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -9.694 6.335 -4.278 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -9.237 5.423 -5.703 1.00 0.00 H new ATOM 166 N CYS A 14 -12.615 5.732 -4.444 1.00 0.00 N ATOM 167 CA CYS A 14 -13.569 4.695 -3.963 1.00 0.00 C ATOM 168 C CYS A 14 -14.984 5.279 -3.917 1.00 0.00 C ATOM 169 O CYS A 14 -15.174 6.477 -3.866 1.00 0.00 O ATOM 170 CB CYS A 14 -13.148 4.250 -2.559 1.00 0.00 C ATOM 171 SG CYS A 14 -14.472 3.281 -1.793 1.00 0.00 S ATOM 0 H CYS A 14 -12.531 6.553 -3.845 1.00 0.00 H new ATOM 0 HA CYS A 14 -13.560 3.841 -4.640 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -12.237 3.655 -2.615 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -12.922 5.122 -1.945 1.00 0.00 H new ATOM 176 N ASP A 15 -15.975 4.432 -3.931 1.00 0.00 N ATOM 177 CA ASP A 15 -17.382 4.916 -3.883 1.00 0.00 C ATOM 178 C ASP A 15 -17.855 4.936 -2.432 1.00 0.00 C ATOM 179 O ASP A 15 -17.826 3.929 -1.754 1.00 0.00 O ATOM 180 CB ASP A 15 -18.271 3.966 -4.683 1.00 0.00 C ATOM 181 CG ASP A 15 -19.575 4.673 -5.056 1.00 0.00 C ATOM 182 OD1 ASP A 15 -19.542 5.879 -5.235 1.00 0.00 O ATOM 183 OD2 ASP A 15 -20.585 3.996 -5.158 1.00 0.00 O ATOM 0 H ASP A 15 -15.869 3.418 -3.974 1.00 0.00 H new ATOM 0 HA ASP A 15 -17.439 5.919 -4.307 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -17.752 3.639 -5.584 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -18.485 3.072 -4.097 1.00 0.00 H new ATOM 188 N ALA A 16 -18.289 6.070 -1.951 1.00 0.00 N ATOM 189 CA ALA A 16 -18.763 6.149 -0.540 1.00 0.00 C ATOM 190 C ALA A 16 -19.997 5.260 -0.361 1.00 0.00 C ATOM 191 O ALA A 16 -20.215 4.691 0.690 1.00 0.00 O ATOM 192 CB ALA A 16 -19.124 7.598 -0.204 1.00 0.00 C ATOM 0 H ALA A 16 -18.336 6.944 -2.474 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.972 5.807 0.127 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -19.471 7.657 0.828 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -18.245 8.230 -0.328 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -19.914 7.940 -0.872 1.00 0.00 H new ATOM 198 N ALA A 17 -20.808 5.137 -1.377 1.00 0.00 N ATOM 199 CA ALA A 17 -22.025 4.285 -1.258 1.00 0.00 C ATOM 200 C ALA A 17 -21.608 2.828 -1.053 1.00 0.00 C ATOM 201 O ALA A 17 -21.901 2.225 -0.039 1.00 0.00 O ATOM 202 CB ALA A 17 -22.860 4.404 -2.534 1.00 0.00 C ATOM 0 H ALA A 17 -20.680 5.589 -2.282 1.00 0.00 H new ATOM 0 HA ALA A 17 -22.619 4.616 -0.406 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -23.750 3.781 -2.446 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -23.157 5.443 -2.679 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -22.269 4.074 -3.388 1.00 0.00 H new ATOM 208 N THR A 18 -20.926 2.255 -2.008 1.00 0.00 N ATOM 209 CA THR A 18 -20.491 0.837 -1.866 1.00 0.00 C ATOM 210 C THR A 18 -19.074 0.795 -1.291 1.00 0.00 C ATOM 211 O THR A 18 -18.405 -0.212 -1.358 1.00 0.00 O ATOM 212 CB THR A 18 -20.507 0.157 -3.236 1.00 0.00 C ATOM 213 OG1 THR A 18 -20.141 -1.208 -3.089 1.00 0.00 O ATOM 214 CG2 THR A 18 -19.514 0.855 -4.168 1.00 0.00 C ATOM 0 H THR A 18 -20.652 2.708 -2.880 1.00 0.00 H new ATOM 0 HA THR A 18 -21.172 0.314 -1.195 1.00 0.00 H new ATOM 0 HB THR A 18 -21.508 0.223 -3.662 1.00 0.00 H new ATOM 0 HG1 THR A 18 -19.611 -1.318 -2.272 1.00 0.00 H new ATOM 0 HG21 THR A 18 -19.527 0.369 -5.143 1.00 0.00 H new ATOM 0 HG22 THR A 18 -19.795 1.902 -4.281 1.00 0.00 H new ATOM 0 HG23 THR A 18 -18.512 0.792 -3.745 1.00 0.00 H new ATOM 222 N CYS A 19 -18.620 1.890 -0.733 1.00 0.00 N ATOM 223 CA CYS A 19 -17.241 1.946 -0.146 1.00 0.00 C ATOM 224 C CYS A 19 -16.280 1.077 -0.950 1.00 0.00 C ATOM 225 O CYS A 19 -15.433 0.413 -0.397 1.00 0.00 O ATOM 226 CB CYS A 19 -17.244 1.454 1.308 1.00 0.00 C ATOM 227 SG CYS A 19 -18.562 0.239 1.571 1.00 0.00 S ATOM 0 H CYS A 19 -19.150 2.758 -0.657 1.00 0.00 H new ATOM 0 HA CYS A 19 -16.915 2.986 -0.178 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -16.279 1.008 1.548 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -17.382 2.299 1.983 1.00 0.00 H new ATOM 232 N LYS A 20 -16.391 1.075 -2.246 1.00 0.00 N ATOM 233 CA LYS A 20 -15.461 0.237 -3.057 1.00 0.00 C ATOM 234 C LYS A 20 -14.940 1.050 -4.246 1.00 0.00 C ATOM 235 O LYS A 20 -15.371 2.157 -4.486 1.00 0.00 O ATOM 236 CB LYS A 20 -16.192 -1.010 -3.564 1.00 0.00 C ATOM 237 CG LYS A 20 -16.455 -1.975 -2.399 1.00 0.00 C ATOM 238 CD LYS A 20 -17.615 -2.905 -2.761 1.00 0.00 C ATOM 239 CE LYS A 20 -17.103 -4.030 -3.663 1.00 0.00 C ATOM 240 NZ LYS A 20 -17.533 -3.774 -5.068 1.00 0.00 N ATOM 0 H LYS A 20 -17.077 1.611 -2.778 1.00 0.00 H new ATOM 0 HA LYS A 20 -14.621 -0.071 -2.434 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -17.135 -0.724 -4.030 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.595 -1.505 -4.330 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -15.559 -2.559 -2.187 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -16.692 -1.415 -1.495 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -18.057 -3.322 -1.856 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -18.399 -2.345 -3.270 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -16.016 -4.088 -3.609 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -17.491 -4.990 -3.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -17.186 -4.538 -5.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -18.571 -3.739 -5.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -17.142 -2.866 -5.391 1.00 0.00 H new ATOM 254 N LEU A 21 -14.009 0.513 -4.987 1.00 0.00 N ATOM 255 CA LEU A 21 -13.457 1.265 -6.152 1.00 0.00 C ATOM 256 C LEU A 21 -14.576 1.572 -7.150 1.00 0.00 C ATOM 257 O LEU A 21 -15.212 0.680 -7.675 1.00 0.00 O ATOM 258 CB LEU A 21 -12.382 0.419 -6.837 1.00 0.00 C ATOM 259 CG LEU A 21 -11.034 0.661 -6.159 1.00 0.00 C ATOM 260 CD1 LEU A 21 -10.310 -0.672 -5.967 1.00 0.00 C ATOM 261 CD2 LEU A 21 -10.185 1.582 -7.036 1.00 0.00 C ATOM 0 H LEU A 21 -13.607 -0.412 -4.837 1.00 0.00 H new ATOM 0 HA LEU A 21 -13.021 2.201 -5.803 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.645 -0.637 -6.781 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -12.321 0.676 -7.894 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.194 1.127 -5.187 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.349 -0.498 -5.483 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -10.916 -1.329 -5.343 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.148 -1.141 -6.937 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.223 1.757 -6.555 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -10.026 1.114 -8.007 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -10.701 2.533 -7.171 1.00 0.00 H new ATOM 273 N ARG A 22 -14.826 2.828 -7.412 1.00 0.00 N ATOM 274 CA ARG A 22 -15.909 3.184 -8.373 1.00 0.00 C ATOM 275 C ARG A 22 -15.379 3.143 -9.813 1.00 0.00 C ATOM 276 O ARG A 22 -15.939 2.465 -10.652 1.00 0.00 O ATOM 277 CB ARG A 22 -16.440 4.585 -8.062 1.00 0.00 C ATOM 278 CG ARG A 22 -17.966 4.541 -7.962 1.00 0.00 C ATOM 279 CD ARG A 22 -18.573 5.432 -9.046 1.00 0.00 C ATOM 280 NE ARG A 22 -19.983 5.755 -8.690 1.00 0.00 N ATOM 281 CZ ARG A 22 -20.304 6.969 -8.332 1.00 0.00 C ATOM 282 NH1 ARG A 22 -19.735 7.513 -7.292 1.00 0.00 N ATOM 283 NH2 ARG A 22 -21.193 7.637 -9.015 1.00 0.00 N ATOM 0 H ARG A 22 -14.329 3.619 -7.003 1.00 0.00 H new ATOM 0 HA ARG A 22 -16.717 2.459 -8.272 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -16.014 4.948 -7.127 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -16.136 5.282 -8.843 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -18.319 3.516 -8.078 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -18.287 4.879 -6.977 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -17.992 6.349 -9.145 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -18.537 4.926 -10.011 1.00 0.00 H new ATOM 0 HE ARG A 22 -20.698 5.028 -8.726 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -19.040 6.990 -6.759 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -19.985 8.461 -7.012 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -21.637 7.211 -9.828 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -21.444 8.585 -8.735 1.00 0.00 H new ATOM 297 N PRO A 23 -14.320 3.874 -10.064 1.00 0.00 N ATOM 298 CA PRO A 23 -13.708 3.940 -11.402 1.00 0.00 C ATOM 299 C PRO A 23 -12.837 2.707 -11.650 1.00 0.00 C ATOM 300 O PRO A 23 -12.697 1.853 -10.798 1.00 0.00 O ATOM 301 CB PRO A 23 -12.848 5.205 -11.342 1.00 0.00 C ATOM 302 CG PRO A 23 -12.563 5.467 -9.844 1.00 0.00 C ATOM 303 CD PRO A 23 -13.635 4.699 -9.046 1.00 0.00 C ATOM 0 HA PRO A 23 -14.442 3.965 -12.208 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -11.919 5.070 -11.896 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -13.368 6.050 -11.792 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.563 5.126 -9.575 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -12.607 6.533 -9.623 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -13.186 4.081 -8.268 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -14.328 5.380 -8.552 1.00 0.00 H new ATOM 311 N GLY A 24 -12.248 2.610 -12.810 1.00 0.00 N ATOM 312 CA GLY A 24 -11.381 1.437 -13.109 1.00 0.00 C ATOM 313 C GLY A 24 -10.026 1.626 -12.425 1.00 0.00 C ATOM 314 O GLY A 24 -8.992 1.625 -13.062 1.00 0.00 O ATOM 0 H GLY A 24 -12.330 3.293 -13.563 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.855 0.520 -12.757 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.247 1.334 -14.186 1.00 0.00 H new ATOM 318 N ALA A 25 -10.026 1.795 -11.131 1.00 0.00 N ATOM 319 CA ALA A 25 -8.740 1.990 -10.405 1.00 0.00 C ATOM 320 C ALA A 25 -8.393 0.720 -9.625 1.00 0.00 C ATOM 321 O ALA A 25 -9.240 -0.112 -9.368 1.00 0.00 O ATOM 322 CB ALA A 25 -8.877 3.163 -9.434 1.00 0.00 C ATOM 0 H ALA A 25 -10.861 1.806 -10.546 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.947 2.201 -11.123 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.937 3.307 -8.902 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.122 4.068 -9.989 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.671 2.951 -8.717 1.00 0.00 H new ATOM 328 N GLN A 26 -7.153 0.564 -9.250 1.00 0.00 N ATOM 329 CA GLN A 26 -6.754 -0.653 -8.492 1.00 0.00 C ATOM 330 C GLN A 26 -7.161 -0.508 -7.027 1.00 0.00 C ATOM 331 O GLN A 26 -7.843 -1.348 -6.474 1.00 0.00 O ATOM 332 CB GLN A 26 -5.236 -0.827 -8.578 1.00 0.00 C ATOM 333 CG GLN A 26 -4.921 -2.139 -9.291 1.00 0.00 C ATOM 334 CD GLN A 26 -3.968 -1.875 -10.459 1.00 0.00 C ATOM 335 OE1 GLN A 26 -2.771 -2.051 -10.333 1.00 0.00 O ATOM 336 NE2 GLN A 26 -4.449 -1.457 -11.597 1.00 0.00 N ATOM 0 H GLN A 26 -6.400 1.227 -9.436 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.252 -1.523 -8.921 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.792 0.010 -9.117 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.801 -0.829 -7.579 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -4.470 -2.844 -8.593 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -5.841 -2.596 -9.656 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -5.453 -1.309 -11.703 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -3.821 -1.278 -12.381 1.00 0.00 H new ATOM 345 N CYS A 27 -6.737 0.546 -6.391 1.00 0.00 N ATOM 346 CA CYS A 27 -7.088 0.741 -4.959 1.00 0.00 C ATOM 347 C CYS A 27 -7.752 2.109 -4.784 1.00 0.00 C ATOM 348 O CYS A 27 -7.529 3.027 -5.550 1.00 0.00 O ATOM 349 CB CYS A 27 -5.796 0.640 -4.121 1.00 0.00 C ATOM 350 SG CYS A 27 -5.870 1.715 -2.654 1.00 0.00 S ATOM 0 H CYS A 27 -6.162 1.282 -6.801 1.00 0.00 H new ATOM 0 HA CYS A 27 -7.789 -0.023 -4.624 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.642 -0.393 -3.809 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.940 0.918 -4.735 1.00 0.00 H new ATOM 355 N GLY A 28 -8.555 2.254 -3.767 1.00 0.00 N ATOM 356 CA GLY A 28 -9.223 3.559 -3.518 1.00 0.00 C ATOM 357 C GLY A 28 -8.392 4.341 -2.517 1.00 0.00 C ATOM 358 O GLY A 28 -8.253 5.544 -2.606 1.00 0.00 O ATOM 0 H GLY A 28 -8.778 1.520 -3.095 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -9.321 4.118 -4.448 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.231 3.402 -3.133 1.00 0.00 H new ATOM 362 N GLU A 29 -7.836 3.662 -1.562 1.00 0.00 N ATOM 363 CA GLU A 29 -7.012 4.355 -0.551 1.00 0.00 C ATOM 364 C GLU A 29 -5.897 3.419 -0.072 1.00 0.00 C ATOM 365 O GLU A 29 -6.092 2.227 0.056 1.00 0.00 O ATOM 366 CB GLU A 29 -7.909 4.747 0.614 1.00 0.00 C ATOM 367 CG GLU A 29 -8.528 3.488 1.221 1.00 0.00 C ATOM 368 CD GLU A 29 -8.052 3.329 2.666 1.00 0.00 C ATOM 369 OE1 GLU A 29 -7.014 3.879 2.991 1.00 0.00 O ATOM 370 OE2 GLU A 29 -8.735 2.658 3.423 1.00 0.00 O ATOM 0 H GLU A 29 -7.918 2.653 -1.439 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.556 5.248 -0.978 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.332 5.282 1.368 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.693 5.423 0.273 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.616 3.554 1.191 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.245 2.613 0.636 1.00 0.00 H new ATOM 377 N GLY A 30 -4.730 3.944 0.193 1.00 0.00 N ATOM 378 CA GLY A 30 -3.612 3.075 0.663 1.00 0.00 C ATOM 379 C GLY A 30 -2.278 3.796 0.449 1.00 0.00 C ATOM 380 O GLY A 30 -2.161 4.678 -0.377 1.00 0.00 O ATOM 0 H GLY A 30 -4.503 4.935 0.105 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.743 2.836 1.718 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.618 2.131 0.119 1.00 0.00 H new ATOM 384 N LEU A 31 -1.269 3.424 1.192 1.00 0.00 N ATOM 385 CA LEU A 31 0.058 4.085 1.036 1.00 0.00 C ATOM 386 C LEU A 31 0.594 3.835 -0.373 1.00 0.00 C ATOM 387 O LEU A 31 1.423 4.571 -0.872 1.00 0.00 O ATOM 388 CB LEU A 31 1.037 3.505 2.060 1.00 0.00 C ATOM 389 CG LEU A 31 1.112 4.426 3.278 1.00 0.00 C ATOM 390 CD1 LEU A 31 -0.300 4.730 3.778 1.00 0.00 C ATOM 391 CD2 LEU A 31 1.909 3.736 4.387 1.00 0.00 C ATOM 0 H LEU A 31 -1.308 2.691 1.900 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.051 5.157 1.198 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.713 2.509 2.364 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.025 3.396 1.612 1.00 0.00 H new ATOM 0 HG LEU A 31 1.605 5.358 3.000 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.245 5.387 4.646 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.868 5.220 2.988 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.795 3.800 4.057 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.964 4.391 5.257 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.415 2.805 4.664 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.916 3.520 4.031 1.00 0.00 H new ATOM 403 N CYS A 32 0.132 2.800 -1.019 1.00 0.00 N ATOM 404 CA CYS A 32 0.621 2.504 -2.394 1.00 0.00 C ATOM 405 C CYS A 32 -0.497 2.767 -3.404 1.00 0.00 C ATOM 406 O CYS A 32 -0.535 2.180 -4.467 1.00 0.00 O ATOM 407 CB CYS A 32 1.050 1.039 -2.478 1.00 0.00 C ATOM 408 SG CYS A 32 2.700 0.937 -3.207 1.00 0.00 S ATOM 0 H CYS A 32 -0.562 2.148 -0.654 1.00 0.00 H new ATOM 0 HA CYS A 32 1.472 3.146 -2.621 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.051 0.592 -1.484 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.339 0.474 -3.081 1.00 0.00 H new ATOM 413 N CYS A 33 -1.406 3.644 -3.081 1.00 0.00 N ATOM 414 CA CYS A 33 -2.517 3.941 -4.026 1.00 0.00 C ATOM 415 C CYS A 33 -2.309 5.331 -4.631 1.00 0.00 C ATOM 416 O CYS A 33 -2.600 6.338 -4.017 1.00 0.00 O ATOM 417 CB CYS A 33 -3.850 3.892 -3.278 1.00 0.00 C ATOM 418 SG CYS A 33 -3.966 2.329 -2.373 1.00 0.00 S ATOM 0 H CYS A 33 -1.427 4.167 -2.205 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.529 3.199 -4.825 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.925 4.732 -2.588 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.679 3.982 -3.980 1.00 0.00 H new ATOM 423 N GLU A 34 -1.802 5.392 -5.833 1.00 0.00 N ATOM 424 CA GLU A 34 -1.568 6.711 -6.484 1.00 0.00 C ATOM 425 C GLU A 34 -2.617 6.929 -7.574 1.00 0.00 C ATOM 426 O GLU A 34 -2.759 6.131 -8.480 1.00 0.00 O ATOM 427 CB GLU A 34 -0.172 6.727 -7.109 1.00 0.00 C ATOM 428 CG GLU A 34 0.533 8.039 -6.760 1.00 0.00 C ATOM 429 CD GLU A 34 2.011 7.764 -6.480 1.00 0.00 C ATOM 430 OE1 GLU A 34 2.748 7.570 -7.433 1.00 0.00 O ATOM 431 OE2 GLU A 34 2.382 7.753 -5.318 1.00 0.00 O ATOM 0 H GLU A 34 -1.539 4.581 -6.393 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.643 7.505 -5.741 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.411 5.881 -6.743 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.246 6.619 -8.191 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.433 8.748 -7.582 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.065 8.495 -5.887 1.00 0.00 H new ATOM 438 N GLN A 35 -3.353 8.001 -7.497 1.00 0.00 N ATOM 439 CA GLN A 35 -4.392 8.264 -8.530 1.00 0.00 C ATOM 440 C GLN A 35 -5.413 7.126 -8.522 1.00 0.00 C ATOM 441 O GLN A 35 -5.971 6.773 -9.542 1.00 0.00 O ATOM 442 CB GLN A 35 -3.734 8.352 -9.909 1.00 0.00 C ATOM 443 CG GLN A 35 -4.570 9.255 -10.818 1.00 0.00 C ATOM 444 CD GLN A 35 -4.436 8.787 -12.268 1.00 0.00 C ATOM 445 OE1 GLN A 35 -3.399 8.953 -12.879 1.00 0.00 O ATOM 446 NE2 GLN A 35 -5.450 8.206 -12.848 1.00 0.00 N ATOM 0 H GLN A 35 -3.280 8.706 -6.764 1.00 0.00 H new ATOM 0 HA GLN A 35 -4.894 9.206 -8.310 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -2.723 8.748 -9.816 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -3.648 7.357 -10.347 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.616 9.229 -10.512 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.237 10.289 -10.726 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -6.320 8.067 -12.334 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -5.372 7.891 -13.815 1.00 0.00 H new ATOM 455 N CYS A 36 -5.662 6.549 -7.378 1.00 0.00 N ATOM 456 CA CYS A 36 -6.645 5.433 -7.303 1.00 0.00 C ATOM 457 C CYS A 36 -6.018 4.157 -7.869 1.00 0.00 C ATOM 458 O CYS A 36 -6.682 3.155 -8.048 1.00 0.00 O ATOM 459 CB CYS A 36 -7.890 5.794 -8.117 1.00 0.00 C ATOM 460 SG CYS A 36 -8.309 7.535 -7.846 1.00 0.00 S ATOM 0 H CYS A 36 -5.226 6.803 -6.492 1.00 0.00 H new ATOM 0 HA CYS A 36 -6.925 5.268 -6.263 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -7.709 5.614 -9.177 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -8.726 5.158 -7.824 1.00 0.00 H new ATOM 465 N LYS A 37 -4.744 4.183 -8.151 1.00 0.00 N ATOM 466 CA LYS A 37 -4.076 2.970 -8.704 1.00 0.00 C ATOM 467 C LYS A 37 -2.896 2.585 -7.810 1.00 0.00 C ATOM 468 O LYS A 37 -2.544 3.300 -6.894 1.00 0.00 O ATOM 469 CB LYS A 37 -3.570 3.265 -10.116 1.00 0.00 C ATOM 470 CG LYS A 37 -4.761 3.539 -11.037 1.00 0.00 C ATOM 471 CD LYS A 37 -4.370 4.588 -12.081 1.00 0.00 C ATOM 472 CE LYS A 37 -3.105 4.135 -12.811 1.00 0.00 C ATOM 473 NZ LYS A 37 -2.786 5.104 -13.898 1.00 0.00 N ATOM 0 H LYS A 37 -4.136 4.992 -8.022 1.00 0.00 H new ATOM 0 HA LYS A 37 -4.790 2.147 -8.738 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.902 4.126 -10.102 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.993 2.420 -10.491 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.072 2.618 -11.530 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -5.612 3.891 -10.454 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.183 4.728 -12.793 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.199 5.550 -11.599 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.272 4.070 -12.111 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.250 3.138 -13.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.926 4.797 -14.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.579 5.145 -14.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.631 6.047 -13.488 1.00 0.00 H new ATOM 487 N PHE A 38 -2.278 1.464 -8.070 1.00 0.00 N ATOM 488 CA PHE A 38 -1.119 1.042 -7.232 1.00 0.00 C ATOM 489 C PHE A 38 0.121 1.837 -7.646 1.00 0.00 C ATOM 490 O PHE A 38 0.501 1.858 -8.799 1.00 0.00 O ATOM 491 CB PHE A 38 -0.843 -0.451 -7.440 1.00 0.00 C ATOM 492 CG PHE A 38 -1.913 -1.296 -6.780 1.00 0.00 C ATOM 493 CD1 PHE A 38 -2.583 -0.841 -5.636 1.00 0.00 C ATOM 494 CD2 PHE A 38 -2.226 -2.549 -7.320 1.00 0.00 C ATOM 495 CE1 PHE A 38 -3.564 -1.643 -5.036 1.00 0.00 C ATOM 496 CE2 PHE A 38 -3.206 -3.348 -6.718 1.00 0.00 C ATOM 497 CZ PHE A 38 -3.875 -2.895 -5.577 1.00 0.00 C ATOM 0 H PHE A 38 -2.525 0.824 -8.825 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.350 1.228 -6.183 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.805 -0.673 -8.507 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.133 -0.705 -7.027 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.344 0.126 -5.218 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.711 -2.900 -8.202 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.081 -1.294 -4.154 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.445 -4.315 -7.135 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.631 -3.511 -5.114 1.00 0.00 H new ATOM 507 N SER A 39 0.758 2.487 -6.712 1.00 0.00 N ATOM 508 CA SER A 39 1.976 3.274 -7.050 1.00 0.00 C ATOM 509 C SER A 39 3.046 2.329 -7.602 1.00 0.00 C ATOM 510 O SER A 39 2.743 1.356 -8.265 1.00 0.00 O ATOM 511 CB SER A 39 2.502 3.963 -5.790 1.00 0.00 C ATOM 512 OG SER A 39 1.426 4.615 -5.128 1.00 0.00 O ATOM 0 H SER A 39 0.487 2.507 -5.729 1.00 0.00 H new ATOM 0 HA SER A 39 1.732 4.028 -7.798 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.962 3.231 -5.126 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.274 4.686 -6.052 1.00 0.00 H new ATOM 0 HG SER A 39 1.759 5.057 -4.319 1.00 0.00 H new ATOM 518 N ARG A 40 4.294 2.602 -7.335 1.00 0.00 N ATOM 519 CA ARG A 40 5.374 1.711 -7.846 1.00 0.00 C ATOM 520 C ARG A 40 6.145 1.117 -6.666 1.00 0.00 C ATOM 521 O ARG A 40 6.137 1.650 -5.574 1.00 0.00 O ATOM 522 CB ARG A 40 6.330 2.515 -8.728 1.00 0.00 C ATOM 523 CG ARG A 40 5.698 2.726 -10.105 1.00 0.00 C ATOM 524 CD ARG A 40 5.358 4.206 -10.288 1.00 0.00 C ATOM 525 NE ARG A 40 6.335 4.825 -11.226 1.00 0.00 N ATOM 526 CZ ARG A 40 5.913 5.583 -12.200 1.00 0.00 C ATOM 527 NH1 ARG A 40 4.942 5.175 -12.972 1.00 0.00 N ATOM 528 NH2 ARG A 40 6.461 6.750 -12.404 1.00 0.00 N ATOM 0 H ARG A 40 4.612 3.401 -6.787 1.00 0.00 H new ATOM 0 HA ARG A 40 4.931 0.907 -8.434 1.00 0.00 H new ATOM 0 HB2 ARG A 40 6.547 3.477 -8.264 1.00 0.00 H new ATOM 0 HB3 ARG A 40 7.279 1.988 -8.828 1.00 0.00 H new ATOM 0 HG2 ARG A 40 6.385 2.400 -10.886 1.00 0.00 H new ATOM 0 HG3 ARG A 40 4.797 2.120 -10.200 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.346 4.313 -10.677 1.00 0.00 H new ATOM 0 HD3 ARG A 40 5.385 4.718 -9.326 1.00 0.00 H new ATOM 0 HE ARG A 40 7.334 4.656 -11.107 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.513 4.263 -12.813 1.00 0.00 H new ATOM 0 HH12 ARG A 40 4.612 5.768 -13.734 1.00 0.00 H new ATOM 0 HH21 ARG A 40 7.220 7.070 -11.802 1.00 0.00 H new ATOM 0 HH22 ARG A 40 6.131 7.342 -13.166 1.00 0.00 H new ATOM 542 N ALA A 41 6.807 0.013 -6.876 1.00 0.00 N ATOM 543 CA ALA A 41 7.574 -0.620 -5.768 1.00 0.00 C ATOM 544 C ALA A 41 8.812 0.216 -5.464 1.00 0.00 C ATOM 545 O ALA A 41 9.201 1.070 -6.237 1.00 0.00 O ATOM 546 CB ALA A 41 7.999 -2.031 -6.177 1.00 0.00 C ATOM 0 H ALA A 41 6.850 -0.478 -7.769 1.00 0.00 H new ATOM 0 HA ALA A 41 6.945 -0.676 -4.879 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.560 -2.492 -5.364 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.114 -2.630 -6.392 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.626 -1.978 -7.067 1.00 0.00 H new ATOM 552 N GLY A 42 9.431 -0.013 -4.340 1.00 0.00 N ATOM 553 CA GLY A 42 10.635 0.784 -3.991 1.00 0.00 C ATOM 554 C GLY A 42 10.190 2.211 -3.688 1.00 0.00 C ATOM 555 O GLY A 42 10.955 3.149 -3.803 1.00 0.00 O ATOM 0 H GLY A 42 9.156 -0.714 -3.652 1.00 0.00 H new ATOM 0 HA2 GLY A 42 11.140 0.352 -3.127 1.00 0.00 H new ATOM 0 HA3 GLY A 42 11.349 0.775 -4.815 1.00 0.00 H new ATOM 559 N LYS A 43 8.951 2.383 -3.314 1.00 0.00 N ATOM 560 CA LYS A 43 8.455 3.761 -3.019 1.00 0.00 C ATOM 561 C LYS A 43 8.374 3.962 -1.500 1.00 0.00 C ATOM 562 O LYS A 43 7.765 3.190 -0.794 1.00 0.00 O ATOM 563 CB LYS A 43 7.076 3.957 -3.688 1.00 0.00 C ATOM 564 CG LYS A 43 6.080 4.635 -2.734 1.00 0.00 C ATOM 565 CD LYS A 43 6.570 6.045 -2.398 1.00 0.00 C ATOM 566 CE LYS A 43 5.521 7.067 -2.844 1.00 0.00 C ATOM 567 NZ LYS A 43 5.323 6.965 -4.317 1.00 0.00 N ATOM 0 H LYS A 43 8.265 1.637 -3.200 1.00 0.00 H new ATOM 0 HA LYS A 43 9.142 4.505 -3.422 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.189 4.562 -4.588 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.681 2.990 -4.001 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.094 4.682 -3.195 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.977 4.048 -1.822 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.748 6.134 -1.326 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.519 6.241 -2.897 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.579 6.887 -2.326 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.843 8.074 -2.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.053 7.895 -4.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.208 6.651 -4.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.570 6.277 -4.519 1.00 0.00 H new ATOM 581 N ILE A 44 8.985 4.997 -0.996 1.00 0.00 N ATOM 582 CA ILE A 44 8.944 5.240 0.473 1.00 0.00 C ATOM 583 C ILE A 44 7.489 5.421 0.923 1.00 0.00 C ATOM 584 O ILE A 44 7.016 6.522 1.117 1.00 0.00 O ATOM 585 CB ILE A 44 9.753 6.501 0.796 1.00 0.00 C ATOM 586 CG1 ILE A 44 9.412 7.009 2.203 1.00 0.00 C ATOM 587 CG2 ILE A 44 9.421 7.583 -0.227 1.00 0.00 C ATOM 588 CD1 ILE A 44 9.297 5.828 3.169 1.00 0.00 C ATOM 0 H ILE A 44 9.510 5.684 -1.536 1.00 0.00 H new ATOM 0 HA ILE A 44 9.374 4.389 1.001 1.00 0.00 H new ATOM 0 HB ILE A 44 10.816 6.262 0.757 1.00 0.00 H new ATOM 0 HG12 ILE A 44 10.183 7.698 2.547 1.00 0.00 H new ATOM 0 HG13 ILE A 44 8.475 7.565 2.181 1.00 0.00 H new ATOM 0 HG21 ILE A 44 9.993 8.483 -0.003 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.676 7.230 -1.226 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.356 7.810 -0.184 1.00 0.00 H new ATOM 0 HD11 ILE A 44 9.055 6.196 4.166 1.00 0.00 H new ATOM 0 HD12 ILE A 44 8.510 5.155 2.829 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.245 5.290 3.201 1.00 0.00 H new ATOM 600 N CYS A 45 6.781 4.338 1.090 1.00 0.00 N ATOM 601 CA CYS A 45 5.356 4.428 1.530 1.00 0.00 C ATOM 602 C CYS A 45 5.276 5.201 2.846 1.00 0.00 C ATOM 603 O CYS A 45 4.406 6.027 3.042 1.00 0.00 O ATOM 604 CB CYS A 45 4.798 3.020 1.742 1.00 0.00 C ATOM 605 SG CYS A 45 6.046 1.999 2.564 1.00 0.00 S ATOM 0 H CYS A 45 7.128 3.390 0.941 1.00 0.00 H new ATOM 0 HA CYS A 45 4.774 4.943 0.765 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.892 3.063 2.346 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.523 2.578 0.785 1.00 0.00 H new ATOM 610 N ARG A 46 6.174 4.936 3.755 1.00 0.00 N ATOM 611 CA ARG A 46 6.144 5.653 5.063 1.00 0.00 C ATOM 612 C ARG A 46 7.575 5.907 5.542 1.00 0.00 C ATOM 613 O ARG A 46 8.405 5.019 5.552 1.00 0.00 O ATOM 614 CB ARG A 46 5.405 4.798 6.095 1.00 0.00 C ATOM 615 CG ARG A 46 4.653 5.710 7.068 1.00 0.00 C ATOM 616 CD ARG A 46 4.440 4.977 8.394 1.00 0.00 C ATOM 617 NE ARG A 46 3.465 3.867 8.198 1.00 0.00 N ATOM 618 CZ ARG A 46 2.493 3.696 9.052 1.00 0.00 C ATOM 619 NH1 ARG A 46 2.719 3.093 10.187 1.00 0.00 N ATOM 620 NH2 ARG A 46 1.294 4.129 8.769 1.00 0.00 N ATOM 0 H ARG A 46 6.926 4.255 3.650 1.00 0.00 H new ATOM 0 HA ARG A 46 5.629 6.606 4.942 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.706 4.127 5.594 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.113 4.173 6.639 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.218 6.627 7.234 1.00 0.00 H new ATOM 0 HG3 ARG A 46 3.692 6.000 6.642 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.388 4.582 8.760 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.071 5.670 9.150 1.00 0.00 H new ATOM 0 HE ARG A 46 3.557 3.242 7.397 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.656 2.755 10.407 1.00 0.00 H new ATOM 0 HH12 ARG A 46 1.959 2.960 10.854 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.118 4.600 7.882 1.00 0.00 H new ATOM 0 HH22 ARG A 46 0.533 3.996 9.435 1.00 0.00 H new ATOM 634 N ILE A 47 7.868 7.114 5.944 1.00 0.00 N ATOM 635 CA ILE A 47 9.241 7.427 6.426 1.00 0.00 C ATOM 636 C ILE A 47 9.550 6.588 7.668 1.00 0.00 C ATOM 637 O ILE A 47 8.659 6.144 8.365 1.00 0.00 O ATOM 638 CB ILE A 47 9.330 8.918 6.769 1.00 0.00 C ATOM 639 CG1 ILE A 47 10.801 9.328 6.876 1.00 0.00 C ATOM 640 CG2 ILE A 47 8.626 9.188 8.101 1.00 0.00 C ATOM 641 CD1 ILE A 47 11.451 9.259 5.494 1.00 0.00 C ATOM 0 H ILE A 47 7.214 7.897 5.959 1.00 0.00 H new ATOM 0 HA ILE A 47 9.966 7.192 5.647 1.00 0.00 H new ATOM 0 HB ILE A 47 8.845 9.498 5.984 1.00 0.00 H new ATOM 0 HG12 ILE A 47 10.880 10.339 7.277 1.00 0.00 H new ATOM 0 HG13 ILE A 47 11.324 8.669 7.569 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.693 10.250 8.339 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.578 8.899 8.024 1.00 0.00 H new ATOM 0 HG23 ILE A 47 9.105 8.608 8.890 1.00 0.00 H new ATOM 0 HD11 ILE A 47 12.498 9.551 5.570 1.00 0.00 H new ATOM 0 HD12 ILE A 47 11.385 8.241 5.111 1.00 0.00 H new ATOM 0 HD13 ILE A 47 10.934 9.936 4.814 1.00 0.00 H new ATOM 653 N ALA A 48 10.804 6.362 7.950 1.00 0.00 N ATOM 654 CA ALA A 48 11.165 5.549 9.145 1.00 0.00 C ATOM 655 C ALA A 48 11.043 6.408 10.404 1.00 0.00 C ATOM 656 O ALA A 48 11.262 7.603 10.376 1.00 0.00 O ATOM 657 CB ALA A 48 12.604 5.050 9.007 1.00 0.00 C ATOM 0 H ALA A 48 11.594 6.706 7.404 1.00 0.00 H new ATOM 0 HA ALA A 48 10.490 4.697 9.220 1.00 0.00 H new ATOM 0 HB1 ALA A 48 12.868 4.455 9.881 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.692 4.436 8.110 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.279 5.902 8.931 1.00 0.00 H new ATOM 663 N ARG A 49 10.698 5.809 11.512 1.00 0.00 N ATOM 664 CA ARG A 49 10.566 6.591 12.772 1.00 0.00 C ATOM 665 C ARG A 49 11.959 6.886 13.334 1.00 0.00 C ATOM 666 O ARG A 49 12.374 6.315 14.323 1.00 0.00 O ATOM 667 CB ARG A 49 9.764 5.783 13.794 1.00 0.00 C ATOM 668 CG ARG A 49 8.425 5.369 13.179 1.00 0.00 C ATOM 669 CD ARG A 49 7.746 6.595 12.564 1.00 0.00 C ATOM 670 NE ARG A 49 7.647 7.672 13.588 1.00 0.00 N ATOM 671 CZ ARG A 49 6.844 8.683 13.395 1.00 0.00 C ATOM 672 NH1 ARG A 49 5.564 8.479 13.241 1.00 0.00 N ATOM 673 NH2 ARG A 49 7.321 9.897 13.357 1.00 0.00 N ATOM 0 H ARG A 49 10.502 4.812 11.598 1.00 0.00 H new ATOM 0 HA ARG A 49 10.049 7.528 12.566 1.00 0.00 H new ATOM 0 HB2 ARG A 49 10.326 4.900 14.097 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.596 6.377 14.692 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.583 4.607 12.416 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.783 4.929 13.942 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.316 6.947 11.704 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.753 6.331 12.201 1.00 0.00 H new ATOM 0 HE ARG A 49 8.206 7.620 14.439 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.192 7.530 13.272 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.936 9.269 13.090 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.321 10.056 13.478 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.694 10.687 13.206 1.00 0.00 H new ATOM 687 N GLY A 50 12.683 7.771 12.707 1.00 0.00 N ATOM 688 CA GLY A 50 14.050 8.100 13.199 1.00 0.00 C ATOM 689 C GLY A 50 14.969 8.357 12.007 1.00 0.00 C ATOM 690 O GLY A 50 14.986 9.433 11.442 1.00 0.00 O ATOM 0 H GLY A 50 12.387 8.281 11.875 1.00 0.00 H new ATOM 0 HA2 GLY A 50 14.015 8.979 13.842 1.00 0.00 H new ATOM 0 HA3 GLY A 50 14.439 7.279 13.802 1.00 0.00 H new ATOM 694 N ASP A 51 15.730 7.376 11.618 1.00 0.00 N ATOM 695 CA ASP A 51 16.648 7.556 10.460 1.00 0.00 C ATOM 696 C ASP A 51 17.379 6.242 10.181 1.00 0.00 C ATOM 697 O ASP A 51 18.593 6.188 10.163 1.00 0.00 O ATOM 698 CB ASP A 51 17.666 8.651 10.782 1.00 0.00 C ATOM 699 CG ASP A 51 17.337 9.907 9.973 1.00 0.00 C ATOM 700 OD1 ASP A 51 17.343 9.821 8.756 1.00 0.00 O ATOM 701 OD2 ASP A 51 17.083 10.933 10.583 1.00 0.00 O ATOM 0 H ASP A 51 15.757 6.454 12.053 1.00 0.00 H new ATOM 0 HA ASP A 51 16.073 7.844 9.580 1.00 0.00 H new ATOM 0 HB2 ASP A 51 17.648 8.877 11.848 1.00 0.00 H new ATOM 0 HB3 ASP A 51 18.673 8.307 10.546 1.00 0.00 H new ATOM 706 N TRP A 52 16.650 5.183 9.962 1.00 0.00 N ATOM 707 CA TRP A 52 17.304 3.874 9.683 1.00 0.00 C ATOM 708 C TRP A 52 16.663 3.241 8.438 1.00 0.00 C ATOM 709 O TRP A 52 16.837 3.726 7.337 1.00 0.00 O ATOM 710 CB TRP A 52 17.147 2.958 10.904 1.00 0.00 C ATOM 711 CG TRP A 52 15.832 3.223 11.574 1.00 0.00 C ATOM 712 CD1 TRP A 52 14.625 3.224 10.959 1.00 0.00 C ATOM 713 CD2 TRP A 52 15.572 3.524 12.978 1.00 0.00 C ATOM 714 NE1 TRP A 52 13.646 3.502 11.893 1.00 0.00 N ATOM 715 CE2 TRP A 52 14.178 3.695 13.152 1.00 0.00 C ATOM 716 CE3 TRP A 52 16.402 3.662 14.106 1.00 0.00 C ATOM 717 CZ2 TRP A 52 13.627 3.993 14.399 1.00 0.00 C ATOM 718 CZ3 TRP A 52 15.850 3.962 15.362 1.00 0.00 C ATOM 719 CH2 TRP A 52 14.465 4.127 15.508 1.00 0.00 C ATOM 0 H TRP A 52 15.630 5.167 9.964 1.00 0.00 H new ATOM 0 HA TRP A 52 18.367 4.018 9.491 1.00 0.00 H new ATOM 0 HB2 TRP A 52 17.205 1.914 10.596 1.00 0.00 H new ATOM 0 HB3 TRP A 52 17.964 3.129 11.605 1.00 0.00 H new ATOM 0 HD1 TRP A 52 14.456 3.038 9.909 1.00 0.00 H new ATOM 0 HE1 TRP A 52 12.650 3.558 11.678 1.00 0.00 H new ATOM 0 HE3 TRP A 52 17.470 3.536 14.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 12.560 4.119 14.506 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 16.496 4.066 16.221 1.00 0.00 H new ATOM 0 HH2 TRP A 52 14.047 4.357 16.477 1.00 0.00 H new ATOM 730 N ASN A 53 15.922 2.174 8.588 1.00 0.00 N ATOM 731 CA ASN A 53 15.281 1.545 7.399 1.00 0.00 C ATOM 732 C ASN A 53 13.867 2.105 7.236 1.00 0.00 C ATOM 733 O ASN A 53 13.032 1.968 8.108 1.00 0.00 O ATOM 734 CB ASN A 53 15.211 0.029 7.597 1.00 0.00 C ATOM 735 CG ASN A 53 15.397 -0.673 6.249 1.00 0.00 C ATOM 736 OD1 ASN A 53 15.342 -0.044 5.211 1.00 0.00 O ATOM 737 ND2 ASN A 53 15.614 -1.959 6.223 1.00 0.00 N ATOM 0 H ASN A 53 15.735 1.714 9.479 1.00 0.00 H new ATOM 0 HA ASN A 53 15.868 1.765 6.507 1.00 0.00 H new ATOM 0 HB2 ASN A 53 15.983 -0.293 8.296 1.00 0.00 H new ATOM 0 HB3 ASN A 53 14.251 -0.247 8.033 1.00 0.00 H new ATOM 0 HD21 ASN A 53 15.738 -2.437 5.331 1.00 0.00 H new ATOM 0 HD22 ASN A 53 15.660 -2.486 7.095 1.00 0.00 H new ATOM 744 N ASP A 54 13.591 2.738 6.129 1.00 0.00 N ATOM 745 CA ASP A 54 12.230 3.307 5.919 1.00 0.00 C ATOM 746 C ASP A 54 11.282 2.207 5.430 1.00 0.00 C ATOM 747 O ASP A 54 11.403 1.058 5.807 1.00 0.00 O ATOM 748 CB ASP A 54 12.299 4.426 4.878 1.00 0.00 C ATOM 749 CG ASP A 54 13.611 5.195 5.037 1.00 0.00 C ATOM 750 OD1 ASP A 54 13.623 6.156 5.788 1.00 0.00 O ATOM 751 OD2 ASP A 54 14.581 4.813 4.403 1.00 0.00 O ATOM 0 H ASP A 54 14.247 2.886 5.362 1.00 0.00 H new ATOM 0 HA ASP A 54 11.857 3.711 6.860 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.231 4.007 3.874 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.453 5.102 4.999 1.00 0.00 H new ATOM 756 N ASP A 55 10.339 2.551 4.596 1.00 0.00 N ATOM 757 CA ASP A 55 9.383 1.528 4.087 1.00 0.00 C ATOM 758 C ASP A 55 9.238 1.683 2.572 1.00 0.00 C ATOM 759 O ASP A 55 8.786 2.698 2.081 1.00 0.00 O ATOM 760 CB ASP A 55 8.025 1.730 4.759 1.00 0.00 C ATOM 761 CG ASP A 55 8.207 1.761 6.278 1.00 0.00 C ATOM 762 OD1 ASP A 55 8.419 0.705 6.851 1.00 0.00 O ATOM 763 OD2 ASP A 55 8.133 2.840 6.842 1.00 0.00 O ATOM 0 H ASP A 55 10.189 3.497 4.245 1.00 0.00 H new ATOM 0 HA ASP A 55 9.754 0.529 4.314 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.573 2.661 4.417 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.346 0.925 4.480 1.00 0.00 H new ATOM 768 N ARG A 56 9.627 0.685 1.827 1.00 0.00 N ATOM 769 CA ARG A 56 9.524 0.772 0.342 1.00 0.00 C ATOM 770 C ARG A 56 8.204 0.162 -0.128 1.00 0.00 C ATOM 771 O ARG A 56 7.808 -0.905 0.297 1.00 0.00 O ATOM 772 CB ARG A 56 10.688 0.005 -0.287 1.00 0.00 C ATOM 773 CG ARG A 56 12.010 0.589 0.211 1.00 0.00 C ATOM 774 CD ARG A 56 12.469 1.696 -0.741 1.00 0.00 C ATOM 775 NE ARG A 56 13.954 1.815 -0.688 1.00 0.00 N ATOM 776 CZ ARG A 56 14.548 2.835 -1.244 1.00 0.00 C ATOM 777 NH1 ARG A 56 13.844 3.836 -1.699 1.00 0.00 N ATOM 778 NH2 ARG A 56 15.849 2.856 -1.345 1.00 0.00 N ATOM 0 H ARG A 56 10.013 -0.189 2.183 1.00 0.00 H new ATOM 0 HA ARG A 56 9.561 1.819 0.040 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.624 -1.052 -0.027 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.636 0.070 -1.374 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.887 0.988 1.218 1.00 0.00 H new ATOM 0 HG3 ARG A 56 12.767 -0.193 0.268 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.148 1.472 -1.758 1.00 0.00 H new ATOM 0 HD3 ARG A 56 12.008 2.644 -0.463 1.00 0.00 H new ATOM 0 HE ARG A 56 14.506 1.098 -0.217 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.827 3.822 -1.620 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.311 4.632 -2.133 1.00 0.00 H new ATOM 0 HH21 ARG A 56 16.401 2.075 -0.989 1.00 0.00 H new ATOM 0 HH22 ARG A 56 16.314 3.653 -1.780 1.00 0.00 H new ATOM 792 N CYS A 57 7.528 0.836 -1.015 1.00 0.00 N ATOM 793 CA CYS A 57 6.241 0.313 -1.534 1.00 0.00 C ATOM 794 C CYS A 57 6.524 -0.918 -2.380 1.00 0.00 C ATOM 795 O CYS A 57 7.579 -1.029 -2.976 1.00 0.00 O ATOM 796 CB CYS A 57 5.574 1.376 -2.403 1.00 0.00 C ATOM 797 SG CYS A 57 3.909 1.707 -1.784 1.00 0.00 S ATOM 0 H CYS A 57 7.817 1.734 -1.404 1.00 0.00 H new ATOM 0 HA CYS A 57 5.581 0.057 -0.705 1.00 0.00 H new ATOM 0 HB2 CYS A 57 6.165 2.292 -2.393 1.00 0.00 H new ATOM 0 HB3 CYS A 57 5.528 1.037 -3.438 1.00 0.00 H new ATOM 802 N THR A 58 5.595 -1.837 -2.429 1.00 0.00 N ATOM 803 CA THR A 58 5.793 -3.078 -3.231 1.00 0.00 C ATOM 804 C THR A 58 5.539 -2.792 -4.712 1.00 0.00 C ATOM 805 O THR A 58 5.991 -3.515 -5.578 1.00 0.00 O ATOM 806 CB THR A 58 4.817 -4.152 -2.747 1.00 0.00 C ATOM 807 OG1 THR A 58 4.042 -3.637 -1.674 1.00 0.00 O ATOM 808 CG2 THR A 58 5.598 -5.379 -2.272 1.00 0.00 C ATOM 0 H THR A 58 4.700 -1.779 -1.943 1.00 0.00 H new ATOM 0 HA THR A 58 6.819 -3.425 -3.106 1.00 0.00 H new ATOM 0 HB THR A 58 4.158 -4.439 -3.566 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.791 -4.368 -1.072 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.901 -6.143 -1.928 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.191 -5.774 -3.097 1.00 0.00 H new ATOM 0 HG23 THR A 58 6.259 -5.095 -1.453 1.00 0.00 H new ATOM 816 N GLY A 59 4.816 -1.749 -5.014 1.00 0.00 N ATOM 817 CA GLY A 59 4.535 -1.430 -6.442 1.00 0.00 C ATOM 818 C GLY A 59 3.368 -2.284 -6.933 1.00 0.00 C ATOM 819 O GLY A 59 3.243 -2.568 -8.107 1.00 0.00 O ATOM 0 H GLY A 59 4.409 -1.105 -4.336 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.296 -0.372 -6.549 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.420 -1.620 -7.049 1.00 0.00 H new ATOM 823 N GLN A 60 2.514 -2.703 -6.041 1.00 0.00 N ATOM 824 CA GLN A 60 1.357 -3.544 -6.458 1.00 0.00 C ATOM 825 C GLN A 60 0.359 -3.655 -5.303 1.00 0.00 C ATOM 826 O GLN A 60 -0.835 -3.725 -5.510 1.00 0.00 O ATOM 827 CB GLN A 60 1.856 -4.940 -6.837 1.00 0.00 C ATOM 828 CG GLN A 60 0.963 -5.521 -7.936 1.00 0.00 C ATOM 829 CD GLN A 60 0.500 -6.921 -7.533 1.00 0.00 C ATOM 830 OE1 GLN A 60 0.514 -7.266 -6.368 1.00 0.00 O ATOM 831 NE2 GLN A 60 0.087 -7.748 -8.454 1.00 0.00 N ATOM 0 H GLN A 60 2.567 -2.500 -5.043 1.00 0.00 H new ATOM 0 HA GLN A 60 0.866 -3.086 -7.316 1.00 0.00 H new ATOM 0 HB2 GLN A 60 2.888 -4.887 -7.183 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.845 -5.591 -5.963 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.101 -4.874 -8.098 1.00 0.00 H new ATOM 0 HG3 GLN A 60 1.510 -5.565 -8.878 1.00 0.00 H new ATOM 0 HE21 GLN A 60 0.075 -7.458 -9.432 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.224 -8.684 -8.196 1.00 0.00 H new ATOM 840 N SER A 61 0.837 -3.675 -4.089 1.00 0.00 N ATOM 841 CA SER A 61 -0.093 -3.785 -2.931 1.00 0.00 C ATOM 842 C SER A 61 -0.465 -2.387 -2.433 1.00 0.00 C ATOM 843 O SER A 61 0.384 -1.610 -2.044 1.00 0.00 O ATOM 844 CB SER A 61 0.589 -4.561 -1.803 1.00 0.00 C ATOM 845 OG SER A 61 0.152 -5.914 -1.833 1.00 0.00 O ATOM 0 H SER A 61 1.827 -3.620 -3.850 1.00 0.00 H new ATOM 0 HA SER A 61 -0.996 -4.309 -3.243 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.672 -4.514 -1.917 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.350 -4.111 -0.840 1.00 0.00 H new ATOM 0 HG SER A 61 0.588 -6.415 -1.112 1.00 0.00 H new ATOM 851 N ALA A 62 -1.729 -2.061 -2.437 1.00 0.00 N ATOM 852 CA ALA A 62 -2.151 -0.715 -1.957 1.00 0.00 C ATOM 853 C ALA A 62 -1.547 -0.463 -0.576 1.00 0.00 C ATOM 854 O ALA A 62 -1.022 0.597 -0.300 1.00 0.00 O ATOM 855 CB ALA A 62 -3.677 -0.656 -1.861 1.00 0.00 C ATOM 0 H ALA A 62 -2.486 -2.668 -2.751 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.805 0.045 -2.657 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.982 0.330 -1.510 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.111 -0.841 -2.844 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.027 -1.415 -1.161 1.00 0.00 H new ATOM 861 N ASP A 63 -1.618 -1.432 0.295 1.00 0.00 N ATOM 862 CA ASP A 63 -1.047 -1.252 1.657 1.00 0.00 C ATOM 863 C ASP A 63 0.465 -1.469 1.605 1.00 0.00 C ATOM 864 O ASP A 63 0.948 -2.412 1.009 1.00 0.00 O ATOM 865 CB ASP A 63 -1.674 -2.268 2.613 1.00 0.00 C ATOM 866 CG ASP A 63 -0.901 -2.270 3.933 1.00 0.00 C ATOM 867 OD1 ASP A 63 -0.826 -1.223 4.554 1.00 0.00 O ATOM 868 OD2 ASP A 63 -0.398 -3.319 4.301 1.00 0.00 O ATOM 0 H ASP A 63 -2.047 -2.341 0.121 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.260 -0.243 2.010 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.720 -2.018 2.792 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.656 -3.262 2.167 1.00 0.00 H new ATOM 873 N CYS A 64 1.219 -0.602 2.221 1.00 0.00 N ATOM 874 CA CYS A 64 2.698 -0.757 2.204 1.00 0.00 C ATOM 875 C CYS A 64 3.109 -1.842 3.196 1.00 0.00 C ATOM 876 O CYS A 64 2.546 -1.957 4.267 1.00 0.00 O ATOM 877 CB CYS A 64 3.355 0.585 2.562 1.00 0.00 C ATOM 878 SG CYS A 64 5.061 0.325 3.120 1.00 0.00 S ATOM 0 H CYS A 64 0.873 0.208 2.736 1.00 0.00 H new ATOM 0 HA CYS A 64 3.029 -1.054 1.209 1.00 0.00 H new ATOM 0 HB2 CYS A 64 3.346 1.244 1.694 1.00 0.00 H new ATOM 0 HB3 CYS A 64 2.781 1.081 3.345 1.00 0.00 H new ATOM 883 N PRO A 65 4.086 -2.609 2.792 1.00 0.00 N ATOM 884 CA PRO A 65 4.617 -3.709 3.602 1.00 0.00 C ATOM 885 C PRO A 65 5.543 -3.168 4.698 1.00 0.00 C ATOM 886 O PRO A 65 6.176 -2.144 4.538 1.00 0.00 O ATOM 887 CB PRO A 65 5.398 -4.544 2.588 1.00 0.00 C ATOM 888 CG PRO A 65 5.742 -3.615 1.408 1.00 0.00 C ATOM 889 CD PRO A 65 4.756 -2.447 1.479 1.00 0.00 C ATOM 0 HA PRO A 65 3.845 -4.281 4.117 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.305 -4.948 3.038 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.805 -5.394 2.250 1.00 0.00 H new ATOM 0 HG2 PRO A 65 6.770 -3.261 1.479 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.652 -4.143 0.459 1.00 0.00 H new ATOM 0 HD2 PRO A 65 5.270 -1.488 1.411 1.00 0.00 H new ATOM 0 HD3 PRO A 65 4.038 -2.483 0.660 1.00 0.00 H new ATOM 897 N ARG A 66 5.622 -3.846 5.812 1.00 0.00 N ATOM 898 CA ARG A 66 6.504 -3.367 6.914 1.00 0.00 C ATOM 899 C ARG A 66 7.962 -3.690 6.584 1.00 0.00 C ATOM 900 O ARG A 66 8.365 -4.836 6.567 1.00 0.00 O ATOM 901 CB ARG A 66 6.110 -4.059 8.222 1.00 0.00 C ATOM 902 CG ARG A 66 5.591 -3.017 9.214 1.00 0.00 C ATOM 903 CD ARG A 66 6.607 -2.838 10.345 1.00 0.00 C ATOM 904 NE ARG A 66 5.990 -3.250 11.636 1.00 0.00 N ATOM 905 CZ ARG A 66 5.272 -2.399 12.318 1.00 0.00 C ATOM 906 NH1 ARG A 66 5.827 -1.326 12.811 1.00 0.00 N ATOM 907 NH2 ARG A 66 4.000 -2.620 12.504 1.00 0.00 N ATOM 0 H ARG A 66 5.115 -4.709 6.006 1.00 0.00 H new ATOM 0 HA ARG A 66 6.390 -2.289 7.025 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.343 -4.810 8.032 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.969 -4.581 8.643 1.00 0.00 H new ATOM 0 HG2 ARG A 66 5.425 -2.067 8.706 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.630 -3.333 9.620 1.00 0.00 H new ATOM 0 HD2 ARG A 66 7.496 -3.436 10.147 1.00 0.00 H new ATOM 0 HD3 ARG A 66 6.928 -1.798 10.399 1.00 0.00 H new ATOM 0 HE ARG A 66 6.128 -4.197 11.988 1.00 0.00 H new ATOM 0 HH11 ARG A 66 6.821 -1.152 12.664 1.00 0.00 H new ATOM 0 HH12 ARG A 66 5.267 -0.661 13.344 1.00 0.00 H new ATOM 0 HH21 ARG A 66 3.566 -3.458 12.117 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.439 -1.955 13.037 1.00 0.00 H new ATOM 921 N ASN A 67 8.758 -2.689 6.323 1.00 0.00 N ATOM 922 CA ASN A 67 10.190 -2.939 5.995 1.00 0.00 C ATOM 923 C ASN A 67 11.072 -1.989 6.809 1.00 0.00 C ATOM 924 O ASN A 67 12.216 -1.751 6.476 1.00 0.00 O ATOM 925 CB ASN A 67 10.422 -2.696 4.502 1.00 0.00 C ATOM 926 CG ASN A 67 10.390 -4.032 3.756 1.00 0.00 C ATOM 927 OD1 ASN A 67 10.485 -5.081 4.363 1.00 0.00 O ATOM 928 ND2 ASN A 67 10.260 -4.039 2.458 1.00 0.00 N ATOM 0 H ASN A 67 8.478 -1.708 6.323 1.00 0.00 H new ATOM 0 HA ASN A 67 10.444 -3.971 6.239 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.655 -2.029 4.108 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.382 -2.204 4.348 1.00 0.00 H new ATOM 0 HD21 ASN A 67 10.238 -4.925 1.952 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.180 -3.159 1.949 1.00 0.00 H new ATOM 935 N GLY A 68 10.551 -1.444 7.875 1.00 0.00 N ATOM 936 CA GLY A 68 11.360 -0.510 8.707 1.00 0.00 C ATOM 937 C GLY A 68 12.361 -1.308 9.547 1.00 0.00 C ATOM 938 O GLY A 68 13.049 -2.178 9.052 1.00 0.00 O ATOM 0 H GLY A 68 9.600 -1.606 8.205 1.00 0.00 H new ATOM 0 HA2 GLY A 68 11.888 0.198 8.068 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.707 0.073 9.357 1.00 0.00 H new