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 -22:sc= 0.64 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -10.2! C(o=-10!,f=-22!) USER MOD Single : A 18 THR OG1 : rot 180:sc= -1.88! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -3.22! C(o=-3.2!,f=-3!) USER MOD Single : A 35 GLN : amide:sc= -0.728 K(o=-0.73,f=-0.025) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -140:sc= -4.95! USER MOD Single : A 43 LYS NZ :NH3+ -147:sc= -0.227 (180deg=-1.11) USER MOD Single : A 53 ASN : amide:sc= -0.0957 X(o=-0.096,f=0) USER MOD Single : A 58 THR OG1 : rot -153:sc= -1.51! USER MOD Single : A 60 GLN : amide:sc= -0.395 K(o=-0.4,f=-2.8!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 30 N GLU A 3 -16.642 -5.411 2.251 1.00 0.00 N ATOM 31 CA GLU A 3 -17.055 -4.650 1.040 1.00 0.00 C ATOM 32 C GLU A 3 -16.549 -3.212 1.148 1.00 0.00 C ATOM 33 O GLU A 3 -17.155 -2.295 0.642 1.00 0.00 O ATOM 34 CB GLU A 3 -18.582 -4.647 0.937 1.00 0.00 C ATOM 35 CG GLU A 3 -19.184 -4.290 2.297 1.00 0.00 C ATOM 36 CD GLU A 3 -20.588 -4.887 2.407 1.00 0.00 C ATOM 37 OE1 GLU A 3 -21.521 -4.246 1.953 1.00 0.00 O ATOM 38 OE2 GLU A 3 -20.706 -5.975 2.945 1.00 0.00 O ATOM 0 HA GLU A 3 -16.632 -5.119 0.152 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -18.905 -3.928 0.184 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -18.937 -5.626 0.616 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -18.551 -4.672 3.098 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -19.228 -3.207 2.414 1.00 0.00 H new ATOM 45 N CYS A 4 -15.440 -3.013 1.803 1.00 0.00 N ATOM 46 CA CYS A 4 -14.886 -1.636 1.944 1.00 0.00 C ATOM 47 C CYS A 4 -13.417 -1.651 1.510 1.00 0.00 C ATOM 48 O CYS A 4 -12.531 -1.961 2.282 1.00 0.00 O ATOM 49 CB CYS A 4 -14.996 -1.193 3.406 1.00 0.00 C ATOM 50 SG CYS A 4 -16.738 -0.890 3.829 1.00 0.00 S ATOM 0 H CYS A 4 -14.890 -3.747 2.249 1.00 0.00 H new ATOM 0 HA CYS A 4 -15.444 -0.939 1.320 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -14.582 -1.960 4.060 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -14.411 -0.288 3.566 1.00 0.00 H new ATOM 55 N ASP A 5 -13.161 -1.329 0.273 1.00 0.00 N ATOM 56 CA ASP A 5 -11.761 -1.332 -0.236 1.00 0.00 C ATOM 57 C ASP A 5 -10.985 -0.152 0.353 1.00 0.00 C ATOM 58 O ASP A 5 -9.775 -0.182 0.448 1.00 0.00 O ATOM 59 CB ASP A 5 -11.782 -1.213 -1.762 1.00 0.00 C ATOM 60 CG ASP A 5 -10.737 -2.155 -2.362 1.00 0.00 C ATOM 61 OD1 ASP A 5 -10.993 -3.347 -2.391 1.00 0.00 O ATOM 62 OD2 ASP A 5 -9.701 -1.668 -2.783 1.00 0.00 O ATOM 0 H ASP A 5 -13.867 -1.062 -0.413 1.00 0.00 H new ATOM 0 HA ASP A 5 -11.274 -2.261 0.059 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -12.773 -1.462 -2.143 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -11.574 -0.185 -2.060 1.00 0.00 H new ATOM 67 N CYS A 6 -11.666 0.890 0.741 1.00 0.00 N ATOM 68 CA CYS A 6 -10.953 2.068 1.312 1.00 0.00 C ATOM 69 C CYS A 6 -11.321 2.230 2.786 1.00 0.00 C ATOM 70 O CYS A 6 -12.315 1.710 3.252 1.00 0.00 O ATOM 71 CB CYS A 6 -11.355 3.326 0.542 1.00 0.00 C ATOM 72 SG CYS A 6 -13.160 3.423 0.445 1.00 0.00 S ATOM 0 H CYS A 6 -12.681 0.978 0.688 1.00 0.00 H new ATOM 0 HA CYS A 6 -9.877 1.916 1.227 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -10.959 4.212 1.039 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -10.927 3.304 -0.460 1.00 0.00 H new ATOM 77 N SER A 7 -10.521 2.949 3.527 1.00 0.00 N ATOM 78 CA SER A 7 -10.819 3.145 4.974 1.00 0.00 C ATOM 79 C SER A 7 -11.443 4.526 5.187 1.00 0.00 C ATOM 80 O SER A 7 -11.767 4.903 6.295 1.00 0.00 O ATOM 81 CB SER A 7 -9.522 3.044 5.778 1.00 0.00 C ATOM 82 OG SER A 7 -9.803 3.276 7.152 1.00 0.00 O ATOM 0 H SER A 7 -9.674 3.409 3.192 1.00 0.00 H new ATOM 0 HA SER A 7 -11.517 2.377 5.307 1.00 0.00 H new ATOM 0 HB2 SER A 7 -9.075 2.058 5.647 1.00 0.00 H new ATOM 0 HB3 SER A 7 -8.798 3.773 5.415 1.00 0.00 H new ATOM 0 HG SER A 7 -10.638 3.782 7.234 1.00 0.00 H new ATOM 88 N SER A 8 -11.611 5.288 4.139 1.00 0.00 N ATOM 89 CA SER A 8 -12.212 6.642 4.301 1.00 0.00 C ATOM 90 C SER A 8 -13.462 6.760 3.419 1.00 0.00 C ATOM 91 O SER A 8 -13.415 6.458 2.244 1.00 0.00 O ATOM 92 CB SER A 8 -11.195 7.704 3.880 1.00 0.00 C ATOM 93 OG SER A 8 -9.882 7.223 4.134 1.00 0.00 O ATOM 0 H SER A 8 -11.360 5.033 3.184 1.00 0.00 H new ATOM 0 HA SER A 8 -12.488 6.792 5.345 1.00 0.00 H new ATOM 0 HB2 SER A 8 -11.311 7.936 2.821 1.00 0.00 H new ATOM 0 HB3 SER A 8 -11.369 8.629 4.430 1.00 0.00 H new ATOM 0 HG SER A 8 -9.227 7.900 3.864 1.00 0.00 H new ATOM 99 N PRO A 9 -14.546 7.205 4.010 1.00 0.00 N ATOM 100 CA PRO A 9 -15.822 7.378 3.294 1.00 0.00 C ATOM 101 C PRO A 9 -15.784 8.660 2.455 1.00 0.00 C ATOM 102 O PRO A 9 -16.529 8.816 1.509 1.00 0.00 O ATOM 103 CB PRO A 9 -16.855 7.488 4.418 1.00 0.00 C ATOM 104 CG PRO A 9 -16.080 7.938 5.679 1.00 0.00 C ATOM 105 CD PRO A 9 -14.603 7.572 5.441 1.00 0.00 C ATOM 0 HA PRO A 9 -16.044 6.565 2.602 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -17.632 8.208 4.162 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -17.349 6.531 4.586 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -16.192 9.010 5.841 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -16.464 7.439 6.569 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.944 8.411 5.663 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -14.290 6.744 6.077 1.00 0.00 H new ATOM 113 N GLU A 10 -14.918 9.574 2.797 1.00 0.00 N ATOM 114 CA GLU A 10 -14.828 10.844 2.021 1.00 0.00 C ATOM 115 C GLU A 10 -14.037 10.598 0.735 1.00 0.00 C ATOM 116 O GLU A 10 -13.937 11.459 -0.119 1.00 0.00 O ATOM 117 CB GLU A 10 -14.116 11.904 2.862 1.00 0.00 C ATOM 118 CG GLU A 10 -14.716 11.927 4.269 1.00 0.00 C ATOM 119 CD GLU A 10 -15.945 12.837 4.283 1.00 0.00 C ATOM 120 OE1 GLU A 10 -16.716 12.775 3.339 1.00 0.00 O ATOM 121 OE2 GLU A 10 -16.094 13.583 5.237 1.00 0.00 O ATOM 0 H GLU A 10 -14.269 9.497 3.580 1.00 0.00 H new ATOM 0 HA GLU A 10 -15.831 11.191 1.771 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.049 11.686 2.914 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.219 12.884 2.395 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -14.994 10.918 4.574 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.977 12.285 4.986 1.00 0.00 H new ATOM 128 N ASN A 11 -13.473 9.431 0.589 1.00 0.00 N ATOM 129 CA ASN A 11 -12.687 9.127 -0.638 1.00 0.00 C ATOM 130 C ASN A 11 -13.645 8.996 -1.832 1.00 0.00 C ATOM 131 O ASN A 11 -14.591 8.235 -1.779 1.00 0.00 O ATOM 132 CB ASN A 11 -11.934 7.810 -0.430 1.00 0.00 C ATOM 133 CG ASN A 11 -11.431 7.278 -1.771 1.00 0.00 C ATOM 134 OD1 ASN A 11 -11.372 8.002 -2.745 1.00 0.00 O ATOM 135 ND2 ASN A 11 -11.064 6.030 -1.860 1.00 0.00 N ATOM 0 H ASN A 11 -13.523 8.673 1.269 1.00 0.00 H new ATOM 0 HA ASN A 11 -11.974 9.928 -0.836 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.094 7.965 0.247 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -12.590 7.076 0.039 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.727 5.660 -2.749 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.114 5.424 -1.041 1.00 0.00 H new ATOM 142 N PRO A 12 -13.376 9.746 -2.874 1.00 0.00 N ATOM 143 CA PRO A 12 -14.207 9.737 -4.093 1.00 0.00 C ATOM 144 C PRO A 12 -13.888 8.510 -4.952 1.00 0.00 C ATOM 145 O PRO A 12 -14.758 7.929 -5.571 1.00 0.00 O ATOM 146 CB PRO A 12 -13.799 11.026 -4.814 1.00 0.00 C ATOM 147 CG PRO A 12 -12.393 11.396 -4.284 1.00 0.00 C ATOM 148 CD PRO A 12 -12.225 10.669 -2.938 1.00 0.00 C ATOM 0 HA PRO A 12 -15.275 9.690 -3.882 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -13.781 10.878 -5.894 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -14.512 11.825 -4.614 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -11.620 11.090 -4.989 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -12.298 12.474 -4.156 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -11.279 10.129 -2.893 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -12.231 11.371 -2.104 1.00 0.00 H new ATOM 156 N CYS A 13 -12.647 8.119 -5.000 1.00 0.00 N ATOM 157 CA CYS A 13 -12.260 6.943 -5.819 1.00 0.00 C ATOM 158 C CYS A 13 -13.122 5.734 -5.452 1.00 0.00 C ATOM 159 O CYS A 13 -13.709 5.097 -6.304 1.00 0.00 O ATOM 160 CB CYS A 13 -10.792 6.621 -5.554 1.00 0.00 C ATOM 161 SG CYS A 13 -10.101 5.785 -6.997 1.00 0.00 S ATOM 0 H CYS A 13 -11.879 8.569 -4.502 1.00 0.00 H new ATOM 0 HA CYS A 13 -12.410 7.172 -6.874 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -10.237 7.537 -5.348 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -10.699 5.987 -4.672 1.00 0.00 H new ATOM 166 N CYS A 14 -13.197 5.403 -4.193 1.00 0.00 N ATOM 167 CA CYS A 14 -14.012 4.226 -3.781 1.00 0.00 C ATOM 168 C CYS A 14 -15.426 4.673 -3.408 1.00 0.00 C ATOM 169 O CYS A 14 -15.616 5.608 -2.655 1.00 0.00 O ATOM 170 CB CYS A 14 -13.355 3.560 -2.571 1.00 0.00 C ATOM 171 SG CYS A 14 -13.507 4.641 -1.129 1.00 0.00 S ATOM 0 H CYS A 14 -12.730 5.896 -3.432 1.00 0.00 H new ATOM 0 HA CYS A 14 -14.069 3.520 -4.609 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -13.829 2.599 -2.370 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -12.304 3.360 -2.779 1.00 0.00 H new ATOM 176 N ASP A 15 -16.419 4.004 -3.925 1.00 0.00 N ATOM 177 CA ASP A 15 -17.823 4.378 -3.597 1.00 0.00 C ATOM 178 C ASP A 15 -18.000 4.387 -2.082 1.00 0.00 C ATOM 179 O ASP A 15 -17.586 3.472 -1.401 1.00 0.00 O ATOM 180 CB ASP A 15 -18.777 3.347 -4.199 1.00 0.00 C ATOM 181 CG ASP A 15 -20.150 3.986 -4.418 1.00 0.00 C ATOM 182 OD1 ASP A 15 -20.195 5.070 -4.978 1.00 0.00 O ATOM 183 OD2 ASP A 15 -21.134 3.382 -4.023 1.00 0.00 O ATOM 0 H ASP A 15 -16.318 3.213 -4.561 1.00 0.00 H new ATOM 0 HA ASP A 15 -18.040 5.366 -4.004 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -18.381 2.979 -5.145 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -18.866 2.487 -3.535 1.00 0.00 H new ATOM 188 N ALA A 16 -18.615 5.405 -1.548 1.00 0.00 N ATOM 189 CA ALA A 16 -18.822 5.459 -0.074 1.00 0.00 C ATOM 190 C ALA A 16 -19.814 4.369 0.334 1.00 0.00 C ATOM 191 O ALA A 16 -19.576 3.609 1.252 1.00 0.00 O ATOM 192 CB ALA A 16 -19.380 6.830 0.314 1.00 0.00 C ATOM 0 H ALA A 16 -18.983 6.202 -2.068 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.872 5.299 0.436 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -19.531 6.869 1.393 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -18.675 7.607 0.018 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -20.332 6.992 -0.192 1.00 0.00 H new ATOM 198 N ALA A 17 -20.924 4.285 -0.346 1.00 0.00 N ATOM 199 CA ALA A 17 -21.934 3.245 -0.003 1.00 0.00 C ATOM 200 C ALA A 17 -21.264 1.869 0.029 1.00 0.00 C ATOM 201 O ALA A 17 -21.363 1.144 0.998 1.00 0.00 O ATOM 202 CB ALA A 17 -23.043 3.248 -1.058 1.00 0.00 C ATOM 0 H ALA A 17 -21.175 4.893 -1.126 1.00 0.00 H new ATOM 0 HA ALA A 17 -22.360 3.462 0.976 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -23.784 2.488 -0.810 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -23.521 4.227 -1.080 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -22.615 3.031 -2.037 1.00 0.00 H new ATOM 208 N THR A 18 -20.586 1.503 -1.025 1.00 0.00 N ATOM 209 CA THR A 18 -19.914 0.172 -1.054 1.00 0.00 C ATOM 210 C THR A 18 -18.446 0.325 -0.642 1.00 0.00 C ATOM 211 O THR A 18 -17.662 -0.587 -0.779 1.00 0.00 O ATOM 212 CB THR A 18 -19.991 -0.405 -2.469 1.00 0.00 C ATOM 213 OG1 THR A 18 -19.275 0.437 -3.362 1.00 0.00 O ATOM 214 CG2 THR A 18 -21.454 -0.492 -2.908 1.00 0.00 C ATOM 0 H THR A 18 -20.468 2.067 -1.866 1.00 0.00 H new ATOM 0 HA THR A 18 -20.414 -0.501 -0.358 1.00 0.00 H new ATOM 0 HB THR A 18 -19.552 -1.402 -2.479 1.00 0.00 H new ATOM 0 HG1 THR A 18 -19.322 0.068 -4.269 1.00 0.00 H new ATOM 0 HG21 THR A 18 -21.508 -0.903 -3.916 1.00 0.00 H new ATOM 0 HG22 THR A 18 -22.002 -1.139 -2.223 1.00 0.00 H new ATOM 0 HG23 THR A 18 -21.897 0.504 -2.898 1.00 0.00 H new ATOM 222 N CYS A 19 -18.080 1.479 -0.143 1.00 0.00 N ATOM 223 CA CYS A 19 -16.665 1.727 0.287 1.00 0.00 C ATOM 224 C CYS A 19 -15.683 0.957 -0.595 1.00 0.00 C ATOM 225 O CYS A 19 -14.653 0.511 -0.136 1.00 0.00 O ATOM 226 CB CYS A 19 -16.455 1.292 1.744 1.00 0.00 C ATOM 227 SG CYS A 19 -17.567 -0.071 2.172 1.00 0.00 S ATOM 0 H CYS A 19 -18.708 2.272 -0.013 1.00 0.00 H new ATOM 0 HA CYS A 19 -16.481 2.797 0.191 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -15.420 0.983 1.891 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -16.633 2.136 2.410 1.00 0.00 H new ATOM 232 N LYS A 20 -15.981 0.793 -1.852 1.00 0.00 N ATOM 233 CA LYS A 20 -15.040 0.046 -2.736 1.00 0.00 C ATOM 234 C LYS A 20 -14.799 0.844 -4.019 1.00 0.00 C ATOM 235 O LYS A 20 -15.517 1.774 -4.326 1.00 0.00 O ATOM 236 CB LYS A 20 -15.634 -1.321 -3.086 1.00 0.00 C ATOM 237 CG LYS A 20 -15.800 -2.159 -1.814 1.00 0.00 C ATOM 238 CD LYS A 20 -14.839 -3.350 -1.855 1.00 0.00 C ATOM 239 CE LYS A 20 -15.508 -4.517 -2.585 1.00 0.00 C ATOM 240 NZ LYS A 20 -14.468 -5.353 -3.250 1.00 0.00 N ATOM 0 H LYS A 20 -16.827 1.139 -2.305 1.00 0.00 H new ATOM 0 HA LYS A 20 -14.093 -0.096 -2.215 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -16.599 -1.193 -3.576 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.985 -1.840 -3.791 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -15.600 -1.547 -0.934 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -16.828 -2.511 -1.730 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -13.916 -3.070 -2.363 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.568 -3.648 -0.842 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -16.078 -5.121 -1.880 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -16.214 -4.140 -3.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -14.924 -6.145 -3.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.942 -4.773 -3.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -13.811 -5.724 -2.534 1.00 0.00 H new ATOM 254 N LEU A 21 -13.792 0.487 -4.769 1.00 0.00 N ATOM 255 CA LEU A 21 -13.506 1.228 -6.030 1.00 0.00 C ATOM 256 C LEU A 21 -14.707 1.117 -6.970 1.00 0.00 C ATOM 257 O LEU A 21 -15.091 0.038 -7.377 1.00 0.00 O ATOM 258 CB LEU A 21 -12.275 0.625 -6.709 1.00 0.00 C ATOM 259 CG LEU A 21 -11.007 1.152 -6.037 1.00 0.00 C ATOM 260 CD1 LEU A 21 -10.330 0.021 -5.262 1.00 0.00 C ATOM 261 CD2 LEU A 21 -10.050 1.683 -7.104 1.00 0.00 C ATOM 0 H LEU A 21 -13.156 -0.284 -4.564 1.00 0.00 H new ATOM 0 HA LEU A 21 -13.318 2.277 -5.799 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.308 -0.463 -6.644 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -12.270 0.881 -7.769 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.268 1.956 -5.349 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.426 0.398 -4.783 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.012 -0.358 -4.501 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.068 -0.784 -5.948 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.145 2.059 -6.627 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.790 0.879 -7.792 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -10.532 2.490 -7.656 1.00 0.00 H new ATOM 273 N ARG A 22 -15.304 2.222 -7.318 1.00 0.00 N ATOM 274 CA ARG A 22 -16.479 2.175 -8.231 1.00 0.00 C ATOM 275 C ARG A 22 -16.014 2.029 -9.687 1.00 0.00 C ATOM 276 O ARG A 22 -16.511 1.185 -10.408 1.00 0.00 O ATOM 277 CB ARG A 22 -17.297 3.460 -8.082 1.00 0.00 C ATOM 278 CG ARG A 22 -18.790 3.126 -8.143 1.00 0.00 C ATOM 279 CD ARG A 22 -19.439 3.891 -9.298 1.00 0.00 C ATOM 280 NE ARG A 22 -20.879 3.521 -9.398 1.00 0.00 N ATOM 281 CZ ARG A 22 -21.471 3.507 -10.562 1.00 0.00 C ATOM 282 NH1 ARG A 22 -21.319 2.485 -11.358 1.00 0.00 N ATOM 283 NH2 ARG A 22 -22.213 4.514 -10.929 1.00 0.00 N ATOM 0 H ARG A 22 -15.029 3.155 -7.010 1.00 0.00 H new ATOM 0 HA ARG A 22 -17.096 1.316 -7.968 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -17.061 3.946 -7.135 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -17.038 4.162 -8.874 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -18.928 2.054 -8.281 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -19.271 3.391 -7.202 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -19.340 4.965 -9.137 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -18.928 3.660 -10.233 1.00 0.00 H new ATOM 0 HE ARG A 22 -21.403 3.279 -8.557 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -20.738 1.697 -11.071 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -21.781 2.474 -12.267 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -22.332 5.314 -10.307 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -22.675 4.502 -11.838 1.00 0.00 H new ATOM 297 N PRO A 23 -15.083 2.864 -10.084 1.00 0.00 N ATOM 298 CA PRO A 23 -14.543 2.857 -11.456 1.00 0.00 C ATOM 299 C PRO A 23 -13.506 1.741 -11.627 1.00 0.00 C ATOM 300 O PRO A 23 -13.434 0.820 -10.840 1.00 0.00 O ATOM 301 CB PRO A 23 -13.888 4.234 -11.588 1.00 0.00 C ATOM 302 CG PRO A 23 -13.586 4.716 -10.149 1.00 0.00 C ATOM 303 CD PRO A 23 -14.480 3.889 -9.207 1.00 0.00 C ATOM 0 HA PRO A 23 -15.306 2.675 -12.213 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.973 4.174 -12.177 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -14.551 4.932 -12.100 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -12.533 4.574 -9.907 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -13.796 5.781 -10.046 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -13.899 3.434 -8.404 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -15.243 4.509 -8.736 1.00 0.00 H new ATOM 311 N GLY A 24 -12.705 1.821 -12.656 1.00 0.00 N ATOM 312 CA GLY A 24 -11.674 0.770 -12.885 1.00 0.00 C ATOM 313 C GLY A 24 -10.381 1.152 -12.162 1.00 0.00 C ATOM 314 O GLY A 24 -9.307 0.701 -12.510 1.00 0.00 O ATOM 0 H GLY A 24 -12.721 2.570 -13.348 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.035 -0.192 -12.522 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.486 0.658 -13.953 1.00 0.00 H new ATOM 318 N ALA A 25 -10.475 1.979 -11.157 1.00 0.00 N ATOM 319 CA ALA A 25 -9.252 2.386 -10.410 1.00 0.00 C ATOM 320 C ALA A 25 -8.710 1.181 -9.635 1.00 0.00 C ATOM 321 O ALA A 25 -9.451 0.295 -9.260 1.00 0.00 O ATOM 322 CB ALA A 25 -9.610 3.513 -9.435 1.00 0.00 C ATOM 0 H ALA A 25 -11.346 2.390 -10.821 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.491 2.739 -11.106 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.719 3.815 -8.885 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.000 4.365 -9.991 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.367 3.161 -8.734 1.00 0.00 H new ATOM 328 N GLN A 26 -7.424 1.132 -9.393 1.00 0.00 N ATOM 329 CA GLN A 26 -6.856 -0.024 -8.642 1.00 0.00 C ATOM 330 C GLN A 26 -7.106 0.174 -7.148 1.00 0.00 C ATOM 331 O GLN A 26 -7.670 -0.674 -6.484 1.00 0.00 O ATOM 332 CB GLN A 26 -5.350 -0.109 -8.900 1.00 0.00 C ATOM 333 CG GLN A 26 -5.033 -1.399 -9.656 1.00 0.00 C ATOM 334 CD GLN A 26 -4.494 -2.442 -8.677 1.00 0.00 C ATOM 335 OE1 GLN A 26 -5.138 -2.761 -7.697 1.00 0.00 O ATOM 336 NE2 GLN A 26 -3.331 -2.989 -8.899 1.00 0.00 N ATOM 0 H GLN A 26 -6.748 1.839 -9.682 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.333 -0.946 -8.974 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.020 0.754 -9.478 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.807 -0.086 -7.955 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.930 -1.775 -10.148 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.299 -1.204 -10.438 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -2.790 -2.721 -9.721 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -2.962 -3.684 -8.250 1.00 0.00 H new ATOM 345 N CYS A 27 -6.700 1.291 -6.616 1.00 0.00 N ATOM 346 CA CYS A 27 -6.923 1.549 -5.168 1.00 0.00 C ATOM 347 C CYS A 27 -7.637 2.891 -5.018 1.00 0.00 C ATOM 348 O CYS A 27 -7.330 3.851 -5.697 1.00 0.00 O ATOM 349 CB CYS A 27 -5.561 1.557 -4.431 1.00 0.00 C ATOM 350 SG CYS A 27 -5.468 2.896 -3.200 1.00 0.00 S ATOM 0 H CYS A 27 -6.223 2.037 -7.122 1.00 0.00 H new ATOM 0 HA CYS A 27 -7.542 0.767 -4.728 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.409 0.597 -3.937 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.756 1.673 -5.156 1.00 0.00 H new ATOM 355 N GLY A 28 -8.573 2.971 -4.119 1.00 0.00 N ATOM 356 CA GLY A 28 -9.284 4.255 -3.912 1.00 0.00 C ATOM 357 C GLY A 28 -8.479 5.090 -2.921 1.00 0.00 C ATOM 358 O GLY A 28 -8.381 6.295 -3.033 1.00 0.00 O ATOM 0 H GLY A 28 -8.875 2.203 -3.520 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -9.392 4.787 -4.857 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.289 4.076 -3.530 1.00 0.00 H new ATOM 362 N GLU A 29 -7.892 4.444 -1.955 1.00 0.00 N ATOM 363 CA GLU A 29 -7.074 5.170 -0.949 1.00 0.00 C ATOM 364 C GLU A 29 -5.928 4.261 -0.498 1.00 0.00 C ATOM 365 O GLU A 29 -6.036 3.051 -0.538 1.00 0.00 O ATOM 366 CB GLU A 29 -7.955 5.535 0.245 1.00 0.00 C ATOM 367 CG GLU A 29 -7.136 6.331 1.262 1.00 0.00 C ATOM 368 CD GLU A 29 -6.532 5.376 2.293 1.00 0.00 C ATOM 369 OE1 GLU A 29 -7.290 4.810 3.064 1.00 0.00 O ATOM 370 OE2 GLU A 29 -5.321 5.226 2.295 1.00 0.00 O ATOM 0 H GLU A 29 -7.945 3.435 -1.819 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.664 6.083 -1.381 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.811 6.122 -0.088 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.350 4.631 0.708 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.345 6.883 0.755 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.769 7.066 1.759 1.00 0.00 H new ATOM 377 N GLY A 30 -4.831 4.822 -0.069 1.00 0.00 N ATOM 378 CA GLY A 30 -3.690 3.968 0.373 1.00 0.00 C ATOM 379 C GLY A 30 -2.405 4.802 0.415 1.00 0.00 C ATOM 380 O GLY A 30 -2.324 5.866 -0.166 1.00 0.00 O ATOM 0 H GLY A 30 -4.675 5.828 -0.005 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.896 3.551 1.359 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.567 3.127 -0.310 1.00 0.00 H new ATOM 384 N LEU A 31 -1.400 4.328 1.104 1.00 0.00 N ATOM 385 CA LEU A 31 -0.125 5.096 1.187 1.00 0.00 C ATOM 386 C LEU A 31 0.478 5.231 -0.209 1.00 0.00 C ATOM 387 O LEU A 31 1.115 6.215 -0.530 1.00 0.00 O ATOM 388 CB LEU A 31 0.862 4.356 2.094 1.00 0.00 C ATOM 389 CG LEU A 31 1.324 5.287 3.216 1.00 0.00 C ATOM 390 CD1 LEU A 31 2.158 6.426 2.626 1.00 0.00 C ATOM 391 CD2 LEU A 31 0.103 5.866 3.932 1.00 0.00 C ATOM 0 H LEU A 31 -1.408 3.443 1.612 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.325 6.086 1.598 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.389 3.469 2.515 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.720 4.015 1.514 1.00 0.00 H new ATOM 0 HG LEU A 31 1.930 4.726 3.927 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.487 7.089 3.427 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.029 6.013 2.116 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.554 6.989 1.914 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.431 6.530 4.732 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.504 6.427 3.221 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.490 5.055 4.354 1.00 0.00 H new ATOM 403 N CYS A 32 0.286 4.245 -1.039 1.00 0.00 N ATOM 404 CA CYS A 32 0.850 4.310 -2.413 1.00 0.00 C ATOM 405 C CYS A 32 -0.283 4.229 -3.435 1.00 0.00 C ATOM 406 O CYS A 32 -0.480 3.222 -4.084 1.00 0.00 O ATOM 407 CB CYS A 32 1.824 3.149 -2.608 1.00 0.00 C ATOM 408 SG CYS A 32 3.215 3.356 -1.467 1.00 0.00 S ATOM 0 H CYS A 32 -0.238 3.397 -0.824 1.00 0.00 H new ATOM 0 HA CYS A 32 1.381 5.251 -2.553 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.322 2.200 -2.422 1.00 0.00 H new ATOM 0 HB3 CYS A 32 2.181 3.125 -3.638 1.00 0.00 H new ATOM 413 N CYS A 33 -1.028 5.290 -3.577 1.00 0.00 N ATOM 414 CA CYS A 33 -2.152 5.293 -4.551 1.00 0.00 C ATOM 415 C CYS A 33 -2.184 6.637 -5.284 1.00 0.00 C ATOM 416 O CYS A 33 -2.735 7.606 -4.800 1.00 0.00 O ATOM 417 CB CYS A 33 -3.467 5.085 -3.797 1.00 0.00 C ATOM 418 SG CYS A 33 -3.513 3.402 -3.144 1.00 0.00 S ATOM 0 H CYS A 33 -0.905 6.159 -3.057 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.017 4.491 -5.276 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.553 5.806 -2.984 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.313 5.253 -4.463 1.00 0.00 H new ATOM 423 N GLU A 34 -1.599 6.702 -6.451 1.00 0.00 N ATOM 424 CA GLU A 34 -1.597 7.980 -7.215 1.00 0.00 C ATOM 425 C GLU A 34 -2.542 7.844 -8.405 1.00 0.00 C ATOM 426 O GLU A 34 -2.512 6.863 -9.122 1.00 0.00 O ATOM 427 CB GLU A 34 -0.185 8.274 -7.722 1.00 0.00 C ATOM 428 CG GLU A 34 0.763 8.431 -6.532 1.00 0.00 C ATOM 429 CD GLU A 34 1.563 9.726 -6.687 1.00 0.00 C ATOM 430 OE1 GLU A 34 0.968 10.784 -6.564 1.00 0.00 O ATOM 431 OE2 GLU A 34 2.755 9.638 -6.928 1.00 0.00 O ATOM 0 H GLU A 34 -1.123 5.924 -6.907 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.924 8.795 -6.569 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.156 7.465 -8.368 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.185 9.183 -8.323 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.196 8.450 -5.601 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.439 7.578 -6.476 1.00 0.00 H new ATOM 438 N GLN A 35 -3.389 8.809 -8.620 1.00 0.00 N ATOM 439 CA GLN A 35 -4.337 8.712 -9.760 1.00 0.00 C ATOM 440 C GLN A 35 -5.209 7.475 -9.561 1.00 0.00 C ATOM 441 O GLN A 35 -5.652 6.851 -10.505 1.00 0.00 O ATOM 442 CB GLN A 35 -3.556 8.585 -11.071 1.00 0.00 C ATOM 443 CG GLN A 35 -4.533 8.616 -12.248 1.00 0.00 C ATOM 444 CD GLN A 35 -3.824 9.166 -13.487 1.00 0.00 C ATOM 445 OE1 GLN A 35 -4.460 9.674 -14.389 1.00 0.00 O ATOM 446 NE2 GLN A 35 -2.524 9.086 -13.569 1.00 0.00 N ATOM 0 H GLN A 35 -3.465 9.657 -8.058 1.00 0.00 H new ATOM 0 HA GLN A 35 -4.960 9.606 -9.805 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -2.837 9.399 -11.159 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -2.987 7.655 -11.080 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -4.910 7.613 -12.447 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -5.394 9.238 -12.003 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.990 8.659 -12.811 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -2.041 9.450 -14.391 1.00 0.00 H new ATOM 455 N CYS A 36 -5.449 7.113 -8.330 1.00 0.00 N ATOM 456 CA CYS A 36 -6.280 5.912 -8.042 1.00 0.00 C ATOM 457 C CYS A 36 -5.585 4.667 -8.587 1.00 0.00 C ATOM 458 O CYS A 36 -6.170 3.605 -8.668 1.00 0.00 O ATOM 459 CB CYS A 36 -7.645 6.048 -8.712 1.00 0.00 C ATOM 460 SG CYS A 36 -8.720 7.081 -7.693 1.00 0.00 S ATOM 0 H CYS A 36 -5.101 7.603 -7.506 1.00 0.00 H new ATOM 0 HA CYS A 36 -6.410 5.824 -6.963 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -7.533 6.489 -9.703 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -8.093 5.064 -8.850 1.00 0.00 H new ATOM 465 N LYS A 37 -4.346 4.786 -8.965 1.00 0.00 N ATOM 466 CA LYS A 37 -3.625 3.605 -9.509 1.00 0.00 C ATOM 467 C LYS A 37 -2.609 3.105 -8.484 1.00 0.00 C ATOM 468 O LYS A 37 -2.307 3.774 -7.516 1.00 0.00 O ATOM 469 CB LYS A 37 -2.905 3.998 -10.798 1.00 0.00 C ATOM 470 CG LYS A 37 -3.624 3.367 -11.991 1.00 0.00 C ATOM 471 CD LYS A 37 -2.600 2.959 -13.050 1.00 0.00 C ATOM 472 CE LYS A 37 -3.320 2.652 -14.364 1.00 0.00 C ATOM 473 NZ LYS A 37 -2.512 3.162 -15.507 1.00 0.00 N ATOM 0 H LYS A 37 -3.802 5.648 -8.921 1.00 0.00 H new ATOM 0 HA LYS A 37 -4.340 2.810 -9.721 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.887 5.083 -10.902 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.868 3.664 -10.765 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.193 2.496 -11.666 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.337 4.074 -12.414 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.876 3.760 -13.198 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.043 2.084 -12.715 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.473 1.577 -14.464 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.306 3.116 -14.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.003 2.953 -16.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.388 4.190 -15.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.580 2.700 -15.507 1.00 0.00 H new ATOM 487 N PHE A 38 -2.077 1.933 -8.697 1.00 0.00 N ATOM 488 CA PHE A 38 -1.078 1.381 -7.743 1.00 0.00 C ATOM 489 C PHE A 38 0.276 2.041 -7.996 1.00 0.00 C ATOM 490 O PHE A 38 0.771 2.048 -9.105 1.00 0.00 O ATOM 491 CB PHE A 38 -0.936 -0.126 -7.973 1.00 0.00 C ATOM 492 CG PHE A 38 -1.849 -0.891 -7.044 1.00 0.00 C ATOM 493 CD1 PHE A 38 -2.937 -0.254 -6.435 1.00 0.00 C ATOM 494 CD2 PHE A 38 -1.606 -2.247 -6.797 1.00 0.00 C ATOM 495 CE1 PHE A 38 -3.778 -0.975 -5.580 1.00 0.00 C ATOM 496 CE2 PHE A 38 -2.448 -2.967 -5.943 1.00 0.00 C ATOM 497 CZ PHE A 38 -3.534 -2.331 -5.335 1.00 0.00 C ATOM 0 H PHE A 38 -2.293 1.333 -9.493 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.406 1.574 -6.722 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.177 -0.366 -9.009 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.098 -0.429 -7.808 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.127 0.792 -6.625 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.767 -2.738 -7.267 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.617 -0.484 -5.109 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.259 -4.013 -5.754 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.185 -2.886 -4.676 1.00 0.00 H new ATOM 507 N SER A 39 0.887 2.587 -6.982 1.00 0.00 N ATOM 508 CA SER A 39 2.217 3.224 -7.183 1.00 0.00 C ATOM 509 C SER A 39 3.203 2.147 -7.654 1.00 0.00 C ATOM 510 O SER A 39 2.909 1.386 -8.553 1.00 0.00 O ATOM 511 CB SER A 39 2.695 3.848 -5.869 1.00 0.00 C ATOM 512 OG SER A 39 1.580 4.408 -5.188 1.00 0.00 O ATOM 0 H SER A 39 0.525 2.620 -6.029 1.00 0.00 H new ATOM 0 HA SER A 39 2.150 4.013 -7.932 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.175 3.093 -5.247 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.440 4.618 -6.068 1.00 0.00 H new ATOM 0 HG SER A 39 1.839 5.262 -4.783 1.00 0.00 H new ATOM 518 N ARG A 40 4.364 2.059 -7.066 1.00 0.00 N ATOM 519 CA ARG A 40 5.323 1.012 -7.512 1.00 0.00 C ATOM 520 C ARG A 40 6.037 0.414 -6.297 1.00 0.00 C ATOM 521 O ARG A 40 6.091 1.011 -5.240 1.00 0.00 O ATOM 522 CB ARG A 40 6.353 1.636 -8.456 1.00 0.00 C ATOM 523 CG ARG A 40 5.782 1.689 -9.875 1.00 0.00 C ATOM 524 CD ARG A 40 6.209 2.992 -10.553 1.00 0.00 C ATOM 525 NE ARG A 40 6.434 2.743 -12.004 1.00 0.00 N ATOM 526 CZ ARG A 40 7.552 2.204 -12.408 1.00 0.00 C ATOM 527 NH1 ARG A 40 8.672 2.862 -12.296 1.00 0.00 N ATOM 528 NH2 ARG A 40 7.548 1.005 -12.925 1.00 0.00 N ATOM 0 H ARG A 40 4.687 2.658 -6.306 1.00 0.00 H new ATOM 0 HA ARG A 40 4.781 0.223 -8.034 1.00 0.00 H new ATOM 0 HB2 ARG A 40 6.609 2.640 -8.118 1.00 0.00 H new ATOM 0 HB3 ARG A 40 7.273 1.051 -8.445 1.00 0.00 H new ATOM 0 HG2 ARG A 40 6.136 0.834 -10.452 1.00 0.00 H new ATOM 0 HG3 ARG A 40 4.694 1.624 -9.843 1.00 0.00 H new ATOM 0 HD2 ARG A 40 5.441 3.754 -10.418 1.00 0.00 H new ATOM 0 HD3 ARG A 40 7.120 3.373 -10.092 1.00 0.00 H new ATOM 0 HE ARG A 40 5.714 2.994 -12.682 1.00 0.00 H new ATOM 0 HH11 ARG A 40 8.675 3.799 -11.892 1.00 0.00 H new ATOM 0 HH12 ARG A 40 9.545 2.440 -12.612 1.00 0.00 H new ATOM 0 HH21 ARG A 40 6.672 0.490 -13.013 1.00 0.00 H new ATOM 0 HH22 ARG A 40 8.421 0.583 -13.241 1.00 0.00 H new ATOM 542 N ALA A 41 6.589 -0.761 -6.441 1.00 0.00 N ATOM 543 CA ALA A 41 7.305 -1.395 -5.299 1.00 0.00 C ATOM 544 C ALA A 41 8.602 -0.634 -5.044 1.00 0.00 C ATOM 545 O ALA A 41 9.067 0.113 -5.883 1.00 0.00 O ATOM 546 CB ALA A 41 7.621 -2.854 -5.636 1.00 0.00 C ATOM 0 H ALA A 41 6.574 -1.309 -7.301 1.00 0.00 H new ATOM 0 HA ALA A 41 6.678 -1.364 -4.408 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.145 -3.316 -4.799 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.693 -3.393 -5.825 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.251 -2.894 -6.525 1.00 0.00 H new ATOM 552 N GLY A 42 9.186 -0.798 -3.890 1.00 0.00 N ATOM 553 CA GLY A 42 10.439 -0.057 -3.594 1.00 0.00 C ATOM 554 C GLY A 42 10.081 1.418 -3.431 1.00 0.00 C ATOM 555 O GLY A 42 10.894 2.297 -3.637 1.00 0.00 O ATOM 0 H GLY A 42 8.851 -1.409 -3.145 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.904 -0.440 -2.685 1.00 0.00 H new ATOM 0 HA3 GLY A 42 11.160 -0.188 -4.401 1.00 0.00 H new ATOM 559 N LYS A 43 8.854 1.690 -3.076 1.00 0.00 N ATOM 560 CA LYS A 43 8.420 3.109 -2.915 1.00 0.00 C ATOM 561 C LYS A 43 8.308 3.445 -1.427 1.00 0.00 C ATOM 562 O LYS A 43 7.609 2.792 -0.683 1.00 0.00 O ATOM 563 CB LYS A 43 7.063 3.290 -3.613 1.00 0.00 C ATOM 564 CG LYS A 43 6.340 4.546 -3.103 1.00 0.00 C ATOM 565 CD LYS A 43 6.556 5.691 -4.093 1.00 0.00 C ATOM 566 CE LYS A 43 5.770 6.920 -3.632 1.00 0.00 C ATOM 567 NZ LYS A 43 4.344 6.544 -3.413 1.00 0.00 N ATOM 0 H LYS A 43 8.134 0.992 -2.891 1.00 0.00 H new ATOM 0 HA LYS A 43 9.150 3.782 -3.365 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.212 3.365 -4.690 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.441 2.412 -3.438 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.275 4.345 -2.989 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.719 4.824 -2.120 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.617 5.930 -4.163 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.231 5.391 -5.089 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.199 7.315 -2.711 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.838 7.710 -4.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.732 7.351 -3.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.101 5.735 -4.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.203 6.284 -2.416 1.00 0.00 H new ATOM 581 N ILE A 44 8.983 4.472 -0.986 1.00 0.00 N ATOM 582 CA ILE A 44 8.901 4.847 0.452 1.00 0.00 C ATOM 583 C ILE A 44 7.452 5.184 0.804 1.00 0.00 C ATOM 584 O ILE A 44 6.894 6.161 0.345 1.00 0.00 O ATOM 585 CB ILE A 44 9.793 6.056 0.727 1.00 0.00 C ATOM 586 CG1 ILE A 44 9.644 6.472 2.192 1.00 0.00 C ATOM 587 CG2 ILE A 44 9.377 7.218 -0.170 1.00 0.00 C ATOM 588 CD1 ILE A 44 10.433 5.508 3.078 1.00 0.00 C ATOM 0 H ILE A 44 9.585 5.065 -1.558 1.00 0.00 H new ATOM 0 HA ILE A 44 9.241 4.011 1.063 1.00 0.00 H new ATOM 0 HB ILE A 44 10.831 5.793 0.521 1.00 0.00 H new ATOM 0 HG12 ILE A 44 10.007 7.490 2.331 1.00 0.00 H new ATOM 0 HG13 ILE A 44 8.592 6.467 2.477 1.00 0.00 H new ATOM 0 HG21 ILE A 44 10.016 8.078 0.029 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.478 6.925 -1.215 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.339 7.482 0.034 1.00 0.00 H new ATOM 0 HD11 ILE A 44 10.327 5.804 4.122 1.00 0.00 H new ATOM 0 HD12 ILE A 44 10.049 4.496 2.947 1.00 0.00 H new ATOM 0 HD13 ILE A 44 11.486 5.536 2.798 1.00 0.00 H new ATOM 600 N CYS A 45 6.844 4.374 1.621 1.00 0.00 N ATOM 601 CA CYS A 45 5.430 4.625 2.021 1.00 0.00 C ATOM 602 C CYS A 45 5.411 5.324 3.375 1.00 0.00 C ATOM 603 O CYS A 45 4.430 5.925 3.766 1.00 0.00 O ATOM 604 CB CYS A 45 4.691 3.297 2.136 1.00 0.00 C ATOM 605 SG CYS A 45 5.700 2.120 3.069 1.00 0.00 S ATOM 0 H CYS A 45 7.267 3.542 2.033 1.00 0.00 H new ATOM 0 HA CYS A 45 4.944 5.251 1.272 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.733 3.445 2.634 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.477 2.901 1.143 1.00 0.00 H new ATOM 610 N ARG A 46 6.492 5.247 4.094 1.00 0.00 N ATOM 611 CA ARG A 46 6.543 5.903 5.428 1.00 0.00 C ATOM 612 C ARG A 46 7.999 6.113 5.841 1.00 0.00 C ATOM 613 O ARG A 46 8.887 6.171 5.015 1.00 0.00 O ATOM 614 CB ARG A 46 5.840 5.019 6.460 1.00 0.00 C ATOM 615 CG ARG A 46 4.739 5.820 7.156 1.00 0.00 C ATOM 616 CD ARG A 46 3.676 4.862 7.696 1.00 0.00 C ATOM 617 NE ARG A 46 4.339 3.642 8.238 1.00 0.00 N ATOM 618 CZ ARG A 46 3.750 2.481 8.141 1.00 0.00 C ATOM 619 NH1 ARG A 46 3.808 1.811 7.022 1.00 0.00 N ATOM 620 NH2 ARG A 46 3.103 1.990 9.161 1.00 0.00 N ATOM 0 H ARG A 46 7.343 4.758 3.817 1.00 0.00 H new ATOM 0 HA ARG A 46 6.040 6.869 5.375 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.413 4.142 5.973 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.560 4.657 7.194 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.162 6.408 7.971 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.288 6.523 6.456 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.094 5.350 8.477 1.00 0.00 H new ATOM 0 HD3 ARG A 46 2.980 4.589 6.903 1.00 0.00 H new ATOM 0 HE ARG A 46 5.253 3.714 8.685 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.314 2.195 6.223 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.348 0.904 6.946 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.057 2.513 10.035 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.643 1.083 9.084 1.00 0.00 H new ATOM 634 N ILE A 47 8.250 6.233 7.116 1.00 0.00 N ATOM 635 CA ILE A 47 9.650 6.446 7.582 1.00 0.00 C ATOM 636 C ILE A 47 10.007 5.372 8.613 1.00 0.00 C ATOM 637 O ILE A 47 9.152 4.673 9.116 1.00 0.00 O ATOM 638 CB ILE A 47 9.793 7.834 8.224 1.00 0.00 C ATOM 639 CG1 ILE A 47 8.571 8.702 7.894 1.00 0.00 C ATOM 640 CG2 ILE A 47 11.050 8.516 7.681 1.00 0.00 C ATOM 641 CD1 ILE A 47 7.495 8.493 8.963 1.00 0.00 C ATOM 0 H ILE A 47 7.547 6.193 7.854 1.00 0.00 H new ATOM 0 HA ILE A 47 10.323 6.381 6.727 1.00 0.00 H new ATOM 0 HB ILE A 47 9.867 7.716 9.305 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.858 9.753 7.852 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.179 8.439 6.911 1.00 0.00 H new ATOM 0 HG21 ILE A 47 11.154 9.502 8.135 1.00 0.00 H new ATOM 0 HG22 ILE A 47 11.925 7.912 7.921 1.00 0.00 H new ATOM 0 HG23 ILE A 47 10.968 8.622 6.599 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.626 9.109 8.730 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.201 7.444 8.983 1.00 0.00 H new ATOM 0 HD13 ILE A 47 7.891 8.778 9.938 1.00 0.00 H new ATOM 653 N ALA A 48 11.265 5.238 8.933 1.00 0.00 N ATOM 654 CA ALA A 48 11.672 4.212 9.932 1.00 0.00 C ATOM 655 C ALA A 48 11.889 4.883 11.289 1.00 0.00 C ATOM 656 O ALA A 48 12.706 5.770 11.432 1.00 0.00 O ATOM 657 CB ALA A 48 12.972 3.545 9.478 1.00 0.00 C ATOM 0 H ALA A 48 12.027 5.794 8.546 1.00 0.00 H new ATOM 0 HA ALA A 48 10.890 3.458 10.020 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.270 2.794 10.209 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.817 3.068 8.510 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.756 4.297 9.391 1.00 0.00 H new ATOM 663 N ARG A 49 11.159 4.468 12.289 1.00 0.00 N ATOM 664 CA ARG A 49 11.320 5.085 13.635 1.00 0.00 C ATOM 665 C ARG A 49 12.530 4.469 14.339 1.00 0.00 C ATOM 666 O ARG A 49 12.421 3.469 15.021 1.00 0.00 O ATOM 667 CB ARG A 49 10.064 4.825 14.468 1.00 0.00 C ATOM 668 CG ARG A 49 8.823 5.224 13.667 1.00 0.00 C ATOM 669 CD ARG A 49 7.750 5.749 14.621 1.00 0.00 C ATOM 670 NE ARG A 49 7.683 4.872 15.824 1.00 0.00 N ATOM 671 CZ ARG A 49 6.720 5.025 16.691 1.00 0.00 C ATOM 672 NH1 ARG A 49 5.500 5.234 16.280 1.00 0.00 N ATOM 673 NH2 ARG A 49 6.978 4.967 17.969 1.00 0.00 N ATOM 0 H ARG A 49 10.459 3.729 12.231 1.00 0.00 H new ATOM 0 HA ARG A 49 11.470 6.159 13.525 1.00 0.00 H new ATOM 0 HB2 ARG A 49 10.009 3.771 14.742 1.00 0.00 H new ATOM 0 HB3 ARG A 49 10.108 5.394 15.397 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.080 5.989 12.935 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.444 4.366 13.112 1.00 0.00 H new ATOM 0 HD2 ARG A 49 7.980 6.773 14.916 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.782 5.772 14.120 1.00 0.00 H new ATOM 0 HE ARG A 49 8.390 4.152 15.970 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.299 5.278 15.281 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.747 5.354 16.958 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.932 4.802 18.290 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.226 5.087 18.647 1.00 0.00 H new ATOM 687 N GLY A 50 13.685 5.057 14.182 1.00 0.00 N ATOM 688 CA GLY A 50 14.897 4.501 14.848 1.00 0.00 C ATOM 689 C GLY A 50 16.112 4.677 13.936 1.00 0.00 C ATOM 690 O GLY A 50 16.583 5.776 13.718 1.00 0.00 O ATOM 0 H GLY A 50 13.841 5.896 13.623 1.00 0.00 H new ATOM 0 HA2 GLY A 50 15.067 5.008 15.798 1.00 0.00 H new ATOM 0 HA3 GLY A 50 14.748 3.445 15.072 1.00 0.00 H new ATOM 694 N ASP A 51 16.625 3.602 13.402 1.00 0.00 N ATOM 695 CA ASP A 51 17.812 3.706 12.507 1.00 0.00 C ATOM 696 C ASP A 51 17.821 2.525 11.533 1.00 0.00 C ATOM 697 O ASP A 51 18.830 1.880 11.334 1.00 0.00 O ATOM 698 CB ASP A 51 19.088 3.680 13.350 1.00 0.00 C ATOM 699 CG ASP A 51 19.812 5.022 13.228 1.00 0.00 C ATOM 700 OD1 ASP A 51 19.714 5.633 12.177 1.00 0.00 O ATOM 701 OD2 ASP A 51 20.453 5.417 14.189 1.00 0.00 O ATOM 0 H ASP A 51 16.273 2.656 13.547 1.00 0.00 H new ATOM 0 HA ASP A 51 17.765 4.640 11.946 1.00 0.00 H new ATOM 0 HB2 ASP A 51 18.842 3.481 14.393 1.00 0.00 H new ATOM 0 HB3 ASP A 51 19.740 2.872 13.017 1.00 0.00 H new ATOM 706 N TRP A 52 16.701 2.237 10.928 1.00 0.00 N ATOM 707 CA TRP A 52 16.643 1.095 9.967 1.00 0.00 C ATOM 708 C TRP A 52 15.977 1.553 8.669 1.00 0.00 C ATOM 709 O TRP A 52 15.371 2.604 8.607 1.00 0.00 O ATOM 710 CB TRP A 52 15.838 -0.064 10.575 1.00 0.00 C ATOM 711 CG TRP A 52 14.948 0.444 11.667 1.00 0.00 C ATOM 712 CD1 TRP A 52 13.806 1.143 11.476 1.00 0.00 C ATOM 713 CD2 TRP A 52 15.109 0.308 13.109 1.00 0.00 C ATOM 714 NE1 TRP A 52 13.255 1.445 12.709 1.00 0.00 N ATOM 715 CE2 TRP A 52 14.021 0.951 13.746 1.00 0.00 C ATOM 716 CE3 TRP A 52 16.082 -0.306 13.918 1.00 0.00 C ATOM 717 CZ2 TRP A 52 13.904 0.986 15.136 1.00 0.00 C ATOM 718 CZ3 TRP A 52 15.966 -0.274 15.317 1.00 0.00 C ATOM 719 CH2 TRP A 52 14.880 0.371 15.925 1.00 0.00 C ATOM 0 H TRP A 52 15.824 2.741 11.056 1.00 0.00 H new ATOM 0 HA TRP A 52 17.657 0.754 9.758 1.00 0.00 H new ATOM 0 HB2 TRP A 52 15.239 -0.546 9.802 1.00 0.00 H new ATOM 0 HB3 TRP A 52 16.516 -0.820 10.970 1.00 0.00 H new ATOM 0 HD1 TRP A 52 13.392 1.420 10.518 1.00 0.00 H new ATOM 0 HE1 TRP A 52 12.389 1.969 12.836 1.00 0.00 H new ATOM 0 HE3 TRP A 52 16.923 -0.805 13.460 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 13.065 1.485 15.599 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 16.718 -0.749 15.929 1.00 0.00 H new ATOM 0 HH2 TRP A 52 14.798 0.393 17.002 1.00 0.00 H new ATOM 730 N ASN A 53 16.087 0.773 7.628 1.00 0.00 N ATOM 731 CA ASN A 53 15.463 1.165 6.331 1.00 0.00 C ATOM 732 C ASN A 53 14.021 1.619 6.569 1.00 0.00 C ATOM 733 O ASN A 53 13.322 1.089 7.410 1.00 0.00 O ATOM 734 CB ASN A 53 15.467 -0.033 5.380 1.00 0.00 C ATOM 735 CG ASN A 53 16.311 0.299 4.148 1.00 0.00 C ATOM 736 OD1 ASN A 53 17.224 -0.428 3.808 1.00 0.00 O ATOM 737 ND2 ASN A 53 16.042 1.373 3.459 1.00 0.00 N ATOM 0 H ASN A 53 16.582 -0.119 7.619 1.00 0.00 H new ATOM 0 HA ASN A 53 16.032 1.983 5.891 1.00 0.00 H new ATOM 0 HB2 ASN A 53 15.870 -0.911 5.885 1.00 0.00 H new ATOM 0 HB3 ASN A 53 14.448 -0.277 5.081 1.00 0.00 H new ATOM 0 HD21 ASN A 53 16.598 1.603 2.635 1.00 0.00 H new ATOM 0 HD22 ASN A 53 15.276 1.983 3.744 1.00 0.00 H new ATOM 744 N ASP A 54 13.570 2.594 5.828 1.00 0.00 N ATOM 745 CA ASP A 54 12.173 3.082 6.003 1.00 0.00 C ATOM 746 C ASP A 54 11.195 1.982 5.570 1.00 0.00 C ATOM 747 O ASP A 54 11.379 0.824 5.888 1.00 0.00 O ATOM 748 CB ASP A 54 11.967 4.333 5.145 1.00 0.00 C ATOM 749 CG ASP A 54 13.107 5.321 5.398 1.00 0.00 C ATOM 750 OD1 ASP A 54 13.978 5.001 6.190 1.00 0.00 O ATOM 751 OD2 ASP A 54 13.091 6.381 4.794 1.00 0.00 O ATOM 0 H ASP A 54 14.110 3.074 5.108 1.00 0.00 H new ATOM 0 HA ASP A 54 11.993 3.330 7.049 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.935 4.062 4.090 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.010 4.797 5.384 1.00 0.00 H new ATOM 756 N ASP A 55 10.157 2.324 4.847 1.00 0.00 N ATOM 757 CA ASP A 55 9.187 1.282 4.406 1.00 0.00 C ATOM 758 C ASP A 55 8.914 1.446 2.910 1.00 0.00 C ATOM 759 O ASP A 55 8.369 2.440 2.474 1.00 0.00 O ATOM 760 CB ASP A 55 7.879 1.437 5.187 1.00 0.00 C ATOM 761 CG ASP A 55 8.079 0.945 6.621 1.00 0.00 C ATOM 762 OD1 ASP A 55 9.172 0.500 6.927 1.00 0.00 O ATOM 763 OD2 ASP A 55 7.133 1.020 7.389 1.00 0.00 O ATOM 0 H ASP A 55 9.943 3.275 4.546 1.00 0.00 H new ATOM 0 HA ASP A 55 9.603 0.292 4.594 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.567 2.481 5.190 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.085 0.868 4.704 1.00 0.00 H new ATOM 768 N ARG A 56 9.297 0.480 2.122 1.00 0.00 N ATOM 769 CA ARG A 56 9.069 0.581 0.654 1.00 0.00 C ATOM 770 C ARG A 56 7.776 -0.138 0.274 1.00 0.00 C ATOM 771 O ARG A 56 7.520 -1.249 0.695 1.00 0.00 O ATOM 772 CB ARG A 56 10.240 -0.062 -0.087 1.00 0.00 C ATOM 773 CG ARG A 56 11.559 0.498 0.451 1.00 0.00 C ATOM 774 CD ARG A 56 12.178 1.435 -0.590 1.00 0.00 C ATOM 775 NE ARG A 56 13.661 1.433 -0.444 1.00 0.00 N ATOM 776 CZ ARG A 56 14.403 2.092 -1.296 1.00 0.00 C ATOM 777 NH1 ARG A 56 13.886 3.063 -1.997 1.00 0.00 N ATOM 778 NH2 ARG A 56 15.662 1.779 -1.445 1.00 0.00 N ATOM 0 H ARG A 56 9.758 -0.375 2.432 1.00 0.00 H new ATOM 0 HA ARG A 56 8.989 1.632 0.378 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.214 -1.144 0.041 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.159 0.135 -1.156 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.385 1.036 1.383 1.00 0.00 H new ATOM 0 HG3 ARG A 56 12.247 -0.317 0.677 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.901 1.114 -1.594 1.00 0.00 H new ATOM 0 HD3 ARG A 56 11.791 2.446 -0.460 1.00 0.00 H new ATOM 0 HE ARG A 56 14.097 0.918 0.320 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.903 3.309 -1.881 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.465 3.577 -2.661 1.00 0.00 H new ATOM 0 HH21 ARG A 56 16.067 1.020 -0.897 1.00 0.00 H new ATOM 0 HH22 ARG A 56 16.240 2.293 -2.110 1.00 0.00 H new ATOM 792 N CYS A 57 6.964 0.489 -0.531 1.00 0.00 N ATOM 793 CA CYS A 57 5.693 -0.148 -0.960 1.00 0.00 C ATOM 794 C CYS A 57 6.019 -1.344 -1.845 1.00 0.00 C ATOM 795 O CYS A 57 7.102 -1.438 -2.392 1.00 0.00 O ATOM 796 CB CYS A 57 4.863 0.854 -1.759 1.00 0.00 C ATOM 797 SG CYS A 57 3.532 1.506 -0.724 1.00 0.00 S ATOM 0 H CYS A 57 7.130 1.421 -0.911 1.00 0.00 H new ATOM 0 HA CYS A 57 5.128 -0.470 -0.085 1.00 0.00 H new ATOM 0 HB2 CYS A 57 5.497 1.669 -2.109 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.446 0.372 -2.643 1.00 0.00 H new ATOM 802 N THR A 58 5.089 -2.251 -1.991 1.00 0.00 N ATOM 803 CA THR A 58 5.331 -3.449 -2.840 1.00 0.00 C ATOM 804 C THR A 58 4.956 -3.142 -4.290 1.00 0.00 C ATOM 805 O THR A 58 5.149 -3.954 -5.174 1.00 0.00 O ATOM 806 CB THR A 58 4.474 -4.611 -2.331 1.00 0.00 C ATOM 807 OG1 THR A 58 3.704 -4.177 -1.219 1.00 0.00 O ATOM 808 CG2 THR A 58 5.381 -5.768 -1.910 1.00 0.00 C ATOM 0 H THR A 58 4.168 -2.211 -1.555 1.00 0.00 H new ATOM 0 HA THR A 58 6.386 -3.718 -2.790 1.00 0.00 H new ATOM 0 HB THR A 58 3.806 -4.948 -3.124 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.503 -4.943 -0.641 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.771 -6.595 -1.548 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.970 -6.099 -2.766 1.00 0.00 H new ATOM 0 HG23 THR A 58 6.050 -5.436 -1.116 1.00 0.00 H new ATOM 816 N GLY A 59 4.414 -1.984 -4.545 1.00 0.00 N ATOM 817 CA GLY A 59 4.021 -1.641 -5.942 1.00 0.00 C ATOM 818 C GLY A 59 2.690 -2.318 -6.270 1.00 0.00 C ATOM 819 O GLY A 59 1.752 -1.685 -6.715 1.00 0.00 O ATOM 0 H GLY A 59 4.226 -1.262 -3.850 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.930 -0.560 -6.052 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.791 -1.969 -6.640 1.00 0.00 H new ATOM 823 N GLN A 60 2.598 -3.602 -6.049 1.00 0.00 N ATOM 824 CA GLN A 60 1.330 -4.322 -6.339 1.00 0.00 C ATOM 825 C GLN A 60 0.430 -4.262 -5.105 1.00 0.00 C ATOM 826 O GLN A 60 -0.557 -4.965 -5.010 1.00 0.00 O ATOM 827 CB GLN A 60 1.637 -5.785 -6.675 1.00 0.00 C ATOM 828 CG GLN A 60 2.392 -5.862 -8.006 1.00 0.00 C ATOM 829 CD GLN A 60 3.822 -6.347 -7.756 1.00 0.00 C ATOM 830 OE1 GLN A 60 4.300 -6.315 -6.640 1.00 0.00 O ATOM 831 NE2 GLN A 60 4.530 -6.798 -8.756 1.00 0.00 N ATOM 0 H GLN A 60 3.350 -4.183 -5.679 1.00 0.00 H new ATOM 0 HA GLN A 60 0.827 -3.855 -7.186 1.00 0.00 H new ATOM 0 HB2 GLN A 60 2.234 -6.233 -5.881 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.711 -6.356 -6.738 1.00 0.00 H new ATOM 0 HG2 GLN A 60 1.880 -6.542 -8.687 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.407 -4.883 -8.484 1.00 0.00 H new ATOM 0 HE21 GLN A 60 4.129 -6.825 -9.693 1.00 0.00 H new ATOM 0 HE22 GLN A 60 5.484 -7.123 -8.600 1.00 0.00 H new ATOM 840 N SER A 61 0.763 -3.429 -4.153 1.00 0.00 N ATOM 841 CA SER A 61 -0.078 -3.330 -2.926 1.00 0.00 C ATOM 842 C SER A 61 -0.228 -1.863 -2.509 1.00 0.00 C ATOM 843 O SER A 61 0.683 -1.263 -1.975 1.00 0.00 O ATOM 844 CB SER A 61 0.582 -4.110 -1.789 1.00 0.00 C ATOM 845 OG SER A 61 -0.414 -4.824 -1.070 1.00 0.00 O ATOM 0 H SER A 61 1.578 -2.816 -4.173 1.00 0.00 H new ATOM 0 HA SER A 61 -1.063 -3.747 -3.137 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.324 -4.801 -2.189 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.109 -3.428 -1.122 1.00 0.00 H new ATOM 0 HG SER A 61 0.006 -5.327 -0.341 1.00 0.00 H new ATOM 851 N ALA A 62 -1.377 -1.285 -2.738 1.00 0.00 N ATOM 852 CA ALA A 62 -1.591 0.137 -2.341 1.00 0.00 C ATOM 853 C ALA A 62 -1.328 0.281 -0.845 1.00 0.00 C ATOM 854 O ALA A 62 -0.809 1.279 -0.386 1.00 0.00 O ATOM 855 CB ALA A 62 -3.038 0.531 -2.631 1.00 0.00 C ATOM 0 H ALA A 62 -2.176 -1.736 -3.183 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.914 0.781 -2.903 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.197 1.570 -2.342 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.240 0.416 -3.696 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.711 -0.111 -2.063 1.00 0.00 H new ATOM 861 N ASP A 63 -1.681 -0.715 -0.081 1.00 0.00 N ATOM 862 CA ASP A 63 -1.453 -0.642 1.384 1.00 0.00 C ATOM 863 C ASP A 63 0.010 -0.973 1.670 1.00 0.00 C ATOM 864 O ASP A 63 0.424 -2.113 1.618 1.00 0.00 O ATOM 865 CB ASP A 63 -2.361 -1.646 2.094 1.00 0.00 C ATOM 866 CG ASP A 63 -3.659 -0.952 2.508 1.00 0.00 C ATOM 867 OD1 ASP A 63 -4.062 -0.032 1.814 1.00 0.00 O ATOM 868 OD2 ASP A 63 -4.227 -1.349 3.512 1.00 0.00 O ATOM 0 H ASP A 63 -2.118 -1.576 -0.411 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.682 0.360 1.748 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.579 -2.486 1.434 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.857 -2.052 2.971 1.00 0.00 H new ATOM 873 N CYS A 64 0.796 0.023 1.957 1.00 0.00 N ATOM 874 CA CYS A 64 2.237 -0.218 2.229 1.00 0.00 C ATOM 875 C CYS A 64 2.395 -1.353 3.240 1.00 0.00 C ATOM 876 O CYS A 64 1.747 -1.370 4.267 1.00 0.00 O ATOM 877 CB CYS A 64 2.867 1.074 2.764 1.00 0.00 C ATOM 878 SG CYS A 64 4.396 0.705 3.672 1.00 0.00 S ATOM 0 H CYS A 64 0.501 0.998 2.015 1.00 0.00 H new ATOM 0 HA CYS A 64 2.744 -0.509 1.309 1.00 0.00 H new ATOM 0 HB2 CYS A 64 3.082 1.751 1.937 1.00 0.00 H new ATOM 0 HB3 CYS A 64 2.162 1.586 3.419 1.00 0.00 H new ATOM 883 N PRO A 65 3.274 -2.264 2.907 1.00 0.00 N ATOM 884 CA PRO A 65 3.575 -3.423 3.753 1.00 0.00 C ATOM 885 C PRO A 65 4.525 -3.013 4.884 1.00 0.00 C ATOM 886 O PRO A 65 4.706 -1.844 5.159 1.00 0.00 O ATOM 887 CB PRO A 65 4.265 -4.389 2.788 1.00 0.00 C ATOM 888 CG PRO A 65 4.824 -3.544 1.627 1.00 0.00 C ATOM 889 CD PRO A 65 4.050 -2.223 1.645 1.00 0.00 C ATOM 0 HA PRO A 65 2.696 -3.856 4.230 1.00 0.00 H new ATOM 0 HB2 PRO A 65 5.066 -4.930 3.291 1.00 0.00 H new ATOM 0 HB3 PRO A 65 3.560 -5.134 2.418 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.893 -3.370 1.752 1.00 0.00 H new ATOM 0 HG3 PRO A 65 4.694 -4.058 0.675 1.00 0.00 H new ATOM 0 HD2 PRO A 65 4.725 -1.367 1.622 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.394 -2.135 0.779 1.00 0.00 H new ATOM 897 N ARG A 66 5.139 -3.965 5.535 1.00 0.00 N ATOM 898 CA ARG A 66 6.080 -3.624 6.639 1.00 0.00 C ATOM 899 C ARG A 66 7.503 -4.018 6.235 1.00 0.00 C ATOM 900 O ARG A 66 7.781 -5.166 5.952 1.00 0.00 O ATOM 901 CB ARG A 66 5.683 -4.382 7.908 1.00 0.00 C ATOM 902 CG ARG A 66 5.751 -5.888 7.648 1.00 0.00 C ATOM 903 CD ARG A 66 7.042 -6.452 8.246 1.00 0.00 C ATOM 904 NE ARG A 66 7.441 -7.677 7.499 1.00 0.00 N ATOM 905 CZ ARG A 66 6.536 -8.548 7.143 1.00 0.00 C ATOM 906 NH1 ARG A 66 5.907 -9.242 8.052 1.00 0.00 N ATOM 907 NH2 ARG A 66 6.259 -8.723 5.880 1.00 0.00 N ATOM 0 H ARG A 66 5.029 -4.962 5.350 1.00 0.00 H new ATOM 0 HA ARG A 66 6.038 -2.552 6.831 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.350 -4.114 8.728 1.00 0.00 H new ATOM 0 HB3 ARG A 66 4.675 -4.100 8.212 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.886 -6.383 8.090 1.00 0.00 H new ATOM 0 HG3 ARG A 66 5.718 -6.085 6.576 1.00 0.00 H new ATOM 0 HD2 ARG A 66 7.836 -5.707 8.194 1.00 0.00 H new ATOM 0 HD3 ARG A 66 6.895 -6.688 9.300 1.00 0.00 H new ATOM 0 HE ARG A 66 8.421 -7.835 7.266 1.00 0.00 H new ATOM 0 HH11 ARG A 66 6.123 -9.104 9.039 1.00 0.00 H new ATOM 0 HH12 ARG A 66 5.200 -9.923 7.775 1.00 0.00 H new ATOM 0 HH21 ARG A 66 6.750 -8.179 5.170 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.552 -9.404 5.603 1.00 0.00 H new ATOM 921 N ASN A 67 8.406 -3.075 6.203 1.00 0.00 N ATOM 922 CA ASN A 67 9.807 -3.401 5.816 1.00 0.00 C ATOM 923 C ASN A 67 10.751 -3.060 6.971 1.00 0.00 C ATOM 924 O ASN A 67 11.845 -3.579 7.066 1.00 0.00 O ATOM 925 CB ASN A 67 10.199 -2.588 4.581 1.00 0.00 C ATOM 926 CG ASN A 67 10.049 -3.456 3.332 1.00 0.00 C ATOM 927 OD1 ASN A 67 10.972 -4.142 2.940 1.00 0.00 O ATOM 928 ND2 ASN A 67 8.914 -3.460 2.688 1.00 0.00 N ATOM 0 H ASN A 67 8.234 -2.095 6.428 1.00 0.00 H new ATOM 0 HA ASN A 67 9.881 -4.465 5.589 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.568 -1.703 4.500 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.228 -2.239 4.673 1.00 0.00 H new ATOM 0 HD21 ASN A 67 8.802 -4.039 1.856 1.00 0.00 H new ATOM 0 HD22 ASN A 67 8.139 -2.884 3.017 1.00 0.00 H new ATOM 935 N GLY A 68 10.336 -2.191 7.852 1.00 0.00 N ATOM 936 CA GLY A 68 11.211 -1.820 9.000 1.00 0.00 C ATOM 937 C GLY A 68 11.327 -3.007 9.958 1.00 0.00 C ATOM 938 O GLY A 68 10.514 -3.911 9.942 1.00 0.00 O ATOM 0 H GLY A 68 9.430 -1.723 7.827 1.00 0.00 H new ATOM 0 HA2 GLY A 68 12.199 -1.532 8.640 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.798 -0.957 9.522 1.00 0.00 H new