USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 416 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.735 K(o=-0.74,f=-8.2!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.0249 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -3.13! C(o=-3.1!,f=-4.7!) USER MOD Single : A 35 GLN : amide:sc= -0.0999 K(o=-0.1,f=-2!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 19:sc= -4.85! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0.51 K(o=0.51,f=-3.4!) USER MOD Single : A 58 THR OG1 : rot -160:sc= -0.24 USER MOD Single : A 60 GLN : amide:sc= -1.89 K(o=-1.9,f=-5.9!) USER MOD Single : A 61 SER OG : rot -78:sc= 0.432 USER MOD ----------------------------------------------------------------- ATOM 45 N CYS A 4 -11.970 -4.124 1.719 1.00 0.00 N ATOM 46 CA CYS A 4 -11.781 -2.650 1.641 1.00 0.00 C ATOM 47 C CYS A 4 -10.391 -2.338 1.084 1.00 0.00 C ATOM 48 O CYS A 4 -9.415 -2.307 1.805 1.00 0.00 O ATOM 49 CB CYS A 4 -11.914 -2.042 3.039 1.00 0.00 C ATOM 50 SG CYS A 4 -13.609 -1.461 3.288 1.00 0.00 S ATOM 0 HA CYS A 4 -12.540 -2.225 0.984 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -11.658 -2.784 3.795 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -11.214 -1.214 3.155 1.00 0.00 H new ATOM 55 N ASP A 5 -10.295 -2.100 -0.196 1.00 0.00 N ATOM 56 CA ASP A 5 -8.969 -1.784 -0.796 1.00 0.00 C ATOM 57 C ASP A 5 -8.657 -0.300 -0.586 1.00 0.00 C ATOM 58 O ASP A 5 -7.578 0.167 -0.894 1.00 0.00 O ATOM 59 CB ASP A 5 -8.999 -2.095 -2.295 1.00 0.00 C ATOM 60 CG ASP A 5 -8.034 -3.242 -2.595 1.00 0.00 C ATOM 61 OD1 ASP A 5 -6.843 -3.055 -2.402 1.00 0.00 O ATOM 62 OD2 ASP A 5 -8.501 -4.290 -3.012 1.00 0.00 O ATOM 0 H ASP A 5 -11.077 -2.111 -0.851 1.00 0.00 H new ATOM 0 HA ASP A 5 -8.199 -2.388 -0.317 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -10.009 -2.366 -2.601 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -8.719 -1.210 -2.867 1.00 0.00 H new ATOM 67 N CYS A 6 -9.592 0.445 -0.061 1.00 0.00 N ATOM 68 CA CYS A 6 -9.348 1.897 0.171 1.00 0.00 C ATOM 69 C CYS A 6 -10.103 2.345 1.424 1.00 0.00 C ATOM 70 O CYS A 6 -11.188 1.878 1.707 1.00 0.00 O ATOM 71 CB CYS A 6 -9.840 2.698 -1.035 1.00 0.00 C ATOM 72 SG CYS A 6 -8.850 2.269 -2.488 1.00 0.00 S ATOM 0 H CYS A 6 -10.515 0.110 0.217 1.00 0.00 H new ATOM 0 HA CYS A 6 -8.280 2.069 0.308 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -10.892 2.484 -1.222 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -9.763 3.766 -0.832 1.00 0.00 H new ATOM 77 N SER A 7 -9.537 3.247 2.178 1.00 0.00 N ATOM 78 CA SER A 7 -10.223 3.722 3.413 1.00 0.00 C ATOM 79 C SER A 7 -10.824 5.107 3.166 1.00 0.00 C ATOM 80 O SER A 7 -11.261 5.776 4.081 1.00 0.00 O ATOM 81 CB SER A 7 -9.212 3.802 4.556 1.00 0.00 C ATOM 82 OG SER A 7 -8.608 5.088 4.557 1.00 0.00 O ATOM 0 H SER A 7 -8.630 3.675 1.993 1.00 0.00 H new ATOM 0 HA SER A 7 -11.018 3.025 3.677 1.00 0.00 H new ATOM 0 HB2 SER A 7 -9.708 3.619 5.509 1.00 0.00 H new ATOM 0 HB3 SER A 7 -8.451 3.030 4.439 1.00 0.00 H new ATOM 0 HG SER A 7 -7.960 5.144 5.290 1.00 0.00 H new ATOM 88 N SER A 8 -10.850 5.544 1.937 1.00 0.00 N ATOM 89 CA SER A 8 -11.425 6.886 1.637 1.00 0.00 C ATOM 90 C SER A 8 -12.698 6.714 0.797 1.00 0.00 C ATOM 91 O SER A 8 -12.672 6.063 -0.229 1.00 0.00 O ATOM 92 CB SER A 8 -10.405 7.710 0.850 1.00 0.00 C ATOM 93 OG SER A 8 -9.164 7.708 1.545 1.00 0.00 O ATOM 0 H SER A 8 -10.499 5.031 1.129 1.00 0.00 H new ATOM 0 HA SER A 8 -11.667 7.398 2.568 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.276 7.293 -0.149 1.00 0.00 H new ATOM 0 HB3 SER A 8 -10.764 8.732 0.725 1.00 0.00 H new ATOM 0 HG SER A 8 -8.507 8.234 1.043 1.00 0.00 H new ATOM 99 N PRO A 9 -13.777 7.304 1.254 1.00 0.00 N ATOM 100 CA PRO A 9 -15.073 7.228 0.557 1.00 0.00 C ATOM 101 C PRO A 9 -15.094 8.193 -0.632 1.00 0.00 C ATOM 102 O PRO A 9 -16.056 8.263 -1.370 1.00 0.00 O ATOM 103 CB PRO A 9 -16.082 7.658 1.626 1.00 0.00 C ATOM 104 CG PRO A 9 -15.289 8.486 2.664 1.00 0.00 C ATOM 105 CD PRO A 9 -13.808 8.096 2.501 1.00 0.00 C ATOM 0 HA PRO A 9 -15.286 6.239 0.151 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -16.884 8.251 1.187 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -16.546 6.790 2.094 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -15.429 9.554 2.496 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.636 8.274 3.675 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.170 8.977 2.429 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -13.454 7.514 3.352 1.00 0.00 H new ATOM 113 N GLU A 10 -14.040 8.938 -0.819 1.00 0.00 N ATOM 114 CA GLU A 10 -13.998 9.899 -1.957 1.00 0.00 C ATOM 115 C GLU A 10 -12.922 9.463 -2.951 1.00 0.00 C ATOM 116 O GLU A 10 -12.274 10.280 -3.576 1.00 0.00 O ATOM 117 CB GLU A 10 -13.670 11.297 -1.431 1.00 0.00 C ATOM 118 CG GLU A 10 -14.711 12.293 -1.944 1.00 0.00 C ATOM 119 CD GLU A 10 -14.854 13.442 -0.943 1.00 0.00 C ATOM 120 OE1 GLU A 10 -14.501 13.245 0.208 1.00 0.00 O ATOM 121 OE2 GLU A 10 -15.313 14.498 -1.345 1.00 0.00 O ATOM 0 H GLU A 10 -13.205 8.923 -0.233 1.00 0.00 H new ATOM 0 HA GLU A 10 -14.967 9.916 -2.455 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.660 11.294 -0.341 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.674 11.595 -1.758 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -14.411 12.680 -2.918 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -15.671 11.794 -2.081 1.00 0.00 H new ATOM 128 N ASN A 11 -12.723 8.184 -3.102 1.00 0.00 N ATOM 129 CA ASN A 11 -11.687 7.700 -4.057 1.00 0.00 C ATOM 130 C ASN A 11 -12.368 7.204 -5.339 1.00 0.00 C ATOM 131 O ASN A 11 -13.293 6.418 -5.276 1.00 0.00 O ATOM 132 CB ASN A 11 -10.909 6.550 -3.417 1.00 0.00 C ATOM 133 CG ASN A 11 -9.531 6.440 -4.072 1.00 0.00 C ATOM 134 OD1 ASN A 11 -9.427 6.259 -5.269 1.00 0.00 O ATOM 135 ND2 ASN A 11 -8.461 6.542 -3.332 1.00 0.00 N ATOM 0 H ASN A 11 -13.232 7.453 -2.606 1.00 0.00 H new ATOM 0 HA ASN A 11 -11.004 8.514 -4.300 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -10.802 6.721 -2.346 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.456 5.615 -3.537 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -7.537 6.470 -3.758 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -8.548 6.694 -2.327 1.00 0.00 H new ATOM 142 N PRO A 12 -11.894 7.676 -6.465 1.00 0.00 N ATOM 143 CA PRO A 12 -12.445 7.292 -7.775 1.00 0.00 C ATOM 144 C PRO A 12 -11.912 5.920 -8.195 1.00 0.00 C ATOM 145 O PRO A 12 -12.528 5.213 -8.968 1.00 0.00 O ATOM 146 CB PRO A 12 -11.931 8.385 -8.715 1.00 0.00 C ATOM 147 CG PRO A 12 -10.682 8.993 -8.036 1.00 0.00 C ATOM 148 CD PRO A 12 -10.771 8.632 -6.541 1.00 0.00 C ATOM 0 HA PRO A 12 -13.532 7.211 -7.776 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -11.679 7.971 -9.691 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -12.693 9.147 -8.879 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -9.769 8.593 -8.477 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -10.655 10.074 -8.172 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -9.843 8.186 -6.183 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -10.957 9.514 -5.929 1.00 0.00 H new ATOM 156 N CYS A 13 -10.769 5.540 -7.694 1.00 0.00 N ATOM 157 CA CYS A 13 -10.197 4.218 -8.068 1.00 0.00 C ATOM 158 C CYS A 13 -10.749 3.135 -7.137 1.00 0.00 C ATOM 159 O CYS A 13 -10.415 1.972 -7.256 1.00 0.00 O ATOM 160 CB CYS A 13 -8.672 4.272 -7.942 1.00 0.00 C ATOM 161 SG CYS A 13 -7.928 3.827 -9.530 1.00 0.00 S ATOM 0 H CYS A 13 -10.207 6.088 -7.042 1.00 0.00 H new ATOM 0 HA CYS A 13 -10.471 3.982 -9.096 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -8.355 5.272 -7.646 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -8.335 3.587 -7.164 1.00 0.00 H new ATOM 166 N CYS A 14 -11.593 3.504 -6.212 1.00 0.00 N ATOM 167 CA CYS A 14 -12.160 2.489 -5.280 1.00 0.00 C ATOM 168 C CYS A 14 -13.666 2.697 -5.140 1.00 0.00 C ATOM 169 O CYS A 14 -14.128 3.759 -4.772 1.00 0.00 O ATOM 170 CB CYS A 14 -11.496 2.629 -3.909 1.00 0.00 C ATOM 171 SG CYS A 14 -10.169 1.407 -3.752 1.00 0.00 S ATOM 0 H CYS A 14 -11.913 4.461 -6.062 1.00 0.00 H new ATOM 0 HA CYS A 14 -11.971 1.492 -5.678 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -11.094 3.635 -3.789 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -12.233 2.484 -3.120 1.00 0.00 H new ATOM 176 N ASP A 15 -14.433 1.684 -5.425 1.00 0.00 N ATOM 177 CA ASP A 15 -15.909 1.804 -5.304 1.00 0.00 C ATOM 178 C ASP A 15 -16.277 1.983 -3.831 1.00 0.00 C ATOM 179 O ASP A 15 -16.014 1.126 -3.011 1.00 0.00 O ATOM 180 CB ASP A 15 -16.559 0.527 -5.837 1.00 0.00 C ATOM 181 CG ASP A 15 -17.917 0.861 -6.458 1.00 0.00 C ATOM 182 OD1 ASP A 15 -18.320 2.009 -6.373 1.00 0.00 O ATOM 183 OD2 ASP A 15 -18.531 -0.038 -7.009 1.00 0.00 O ATOM 0 H ASP A 15 -14.098 0.773 -5.738 1.00 0.00 H new ATOM 0 HA ASP A 15 -16.261 2.662 -5.877 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -15.913 0.061 -6.581 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -16.685 -0.193 -5.029 1.00 0.00 H new ATOM 188 N ALA A 16 -16.880 3.088 -3.488 1.00 0.00 N ATOM 189 CA ALA A 16 -17.261 3.318 -2.066 1.00 0.00 C ATOM 190 C ALA A 16 -18.256 2.241 -1.626 1.00 0.00 C ATOM 191 O ALA A 16 -18.166 1.708 -0.537 1.00 0.00 O ATOM 192 CB ALA A 16 -17.910 4.696 -1.927 1.00 0.00 C ATOM 0 H ALA A 16 -17.125 3.841 -4.131 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.370 3.271 -1.439 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -18.189 4.864 -0.887 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -17.204 5.464 -2.242 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -18.801 4.743 -2.553 1.00 0.00 H new ATOM 198 N ALA A 17 -19.203 1.918 -2.464 1.00 0.00 N ATOM 199 CA ALA A 17 -20.202 0.875 -2.094 1.00 0.00 C ATOM 200 C ALA A 17 -19.474 -0.396 -1.657 1.00 0.00 C ATOM 201 O ALA A 17 -19.660 -0.885 -0.560 1.00 0.00 O ATOM 202 CB ALA A 17 -21.086 0.566 -3.304 1.00 0.00 C ATOM 0 H ALA A 17 -19.328 2.331 -3.388 1.00 0.00 H new ATOM 0 HA ALA A 17 -20.821 1.239 -1.274 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -21.817 -0.197 -3.035 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -21.605 1.472 -3.616 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -20.467 0.202 -4.124 1.00 0.00 H new ATOM 208 N THR A 18 -18.645 -0.938 -2.507 1.00 0.00 N ATOM 209 CA THR A 18 -17.907 -2.177 -2.141 1.00 0.00 C ATOM 210 C THR A 18 -16.658 -1.806 -1.336 1.00 0.00 C ATOM 211 O THR A 18 -16.012 -2.652 -0.750 1.00 0.00 O ATOM 212 CB THR A 18 -17.496 -2.917 -3.415 1.00 0.00 C ATOM 213 OG1 THR A 18 -16.293 -2.354 -3.922 1.00 0.00 O ATOM 214 CG2 THR A 18 -18.609 -2.787 -4.458 1.00 0.00 C ATOM 0 H THR A 18 -18.448 -0.575 -3.440 1.00 0.00 H new ATOM 0 HA THR A 18 -18.548 -2.821 -1.538 1.00 0.00 H new ATOM 0 HB THR A 18 -17.333 -3.971 -3.191 1.00 0.00 H new ATOM 0 HG1 THR A 18 -16.028 -2.829 -4.737 1.00 0.00 H new ATOM 0 HG21 THR A 18 -18.319 -3.313 -5.367 1.00 0.00 H new ATOM 0 HG22 THR A 18 -19.528 -3.221 -4.065 1.00 0.00 H new ATOM 0 HG23 THR A 18 -18.773 -1.734 -4.685 1.00 0.00 H new ATOM 222 N CYS A 19 -16.321 -0.545 -1.299 1.00 0.00 N ATOM 223 CA CYS A 19 -15.122 -0.113 -0.528 1.00 0.00 C ATOM 224 C CYS A 19 -13.860 -0.733 -1.139 1.00 0.00 C ATOM 225 O CYS A 19 -12.830 -0.818 -0.502 1.00 0.00 O ATOM 226 CB CYS A 19 -15.271 -0.571 0.927 1.00 0.00 C ATOM 227 SG CYS A 19 -13.849 -0.013 1.899 1.00 0.00 S ATOM 0 H CYS A 19 -16.826 0.205 -1.771 1.00 0.00 H new ATOM 0 HA CYS A 19 -15.036 0.973 -0.564 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -16.192 -0.170 1.351 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -15.347 -1.658 0.969 1.00 0.00 H new ATOM 232 N LYS A 20 -13.923 -1.163 -2.368 1.00 0.00 N ATOM 233 CA LYS A 20 -12.714 -1.774 -2.997 1.00 0.00 C ATOM 234 C LYS A 20 -12.474 -1.163 -4.380 1.00 0.00 C ATOM 235 O LYS A 20 -13.233 -0.338 -4.845 1.00 0.00 O ATOM 236 CB LYS A 20 -12.916 -3.284 -3.136 1.00 0.00 C ATOM 237 CG LYS A 20 -13.105 -3.909 -1.753 1.00 0.00 C ATOM 238 CD LYS A 20 -12.931 -5.428 -1.849 1.00 0.00 C ATOM 239 CE LYS A 20 -14.300 -6.108 -1.761 1.00 0.00 C ATOM 240 NZ LYS A 20 -14.138 -7.577 -1.960 1.00 0.00 N ATOM 0 H LYS A 20 -14.751 -1.120 -2.962 1.00 0.00 H new ATOM 0 HA LYS A 20 -11.848 -1.577 -2.365 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -13.786 -3.488 -3.760 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -12.055 -3.731 -3.633 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -12.381 -3.493 -1.053 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -14.096 -3.670 -1.367 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.443 -5.690 -2.788 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -12.286 -5.782 -1.045 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -14.755 -5.909 -0.791 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -14.970 -5.699 -2.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -15.067 -8.040 -1.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.721 -7.757 -2.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -13.512 -7.960 -1.223 1.00 0.00 H new ATOM 254 N LEU A 21 -11.417 -1.562 -5.036 1.00 0.00 N ATOM 255 CA LEU A 21 -11.115 -1.005 -6.387 1.00 0.00 C ATOM 256 C LEU A 21 -12.264 -1.324 -7.345 1.00 0.00 C ATOM 257 O LEU A 21 -12.706 -2.451 -7.450 1.00 0.00 O ATOM 258 CB LEU A 21 -9.821 -1.627 -6.912 1.00 0.00 C ATOM 259 CG LEU A 21 -8.625 -0.883 -6.316 1.00 0.00 C ATOM 260 CD1 LEU A 21 -7.478 -1.865 -6.076 1.00 0.00 C ATOM 261 CD2 LEU A 21 -8.168 0.208 -7.287 1.00 0.00 C ATOM 0 H LEU A 21 -10.748 -2.252 -4.694 1.00 0.00 H new ATOM 0 HA LEU A 21 -10.998 0.076 -6.317 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.777 -2.683 -6.645 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -9.793 -1.572 -8.000 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.916 -0.429 -5.369 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.627 -1.333 -5.651 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.803 -2.642 -5.384 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.186 -2.321 -7.022 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.316 0.739 -6.863 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.878 -0.246 -8.234 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.985 0.910 -7.456 1.00 0.00 H new ATOM 273 N ARG A 22 -12.762 -0.335 -8.037 1.00 0.00 N ATOM 274 CA ARG A 22 -13.893 -0.576 -8.979 1.00 0.00 C ATOM 275 C ARG A 22 -13.364 -1.094 -10.330 1.00 0.00 C ATOM 276 O ARG A 22 -13.820 -2.113 -10.811 1.00 0.00 O ATOM 277 CB ARG A 22 -14.684 0.736 -9.158 1.00 0.00 C ATOM 278 CG ARG A 22 -15.282 0.830 -10.568 1.00 0.00 C ATOM 279 CD ARG A 22 -15.928 2.204 -10.756 1.00 0.00 C ATOM 280 NE ARG A 22 -14.949 3.129 -11.393 1.00 0.00 N ATOM 281 CZ ARG A 22 -14.956 4.397 -11.087 1.00 0.00 C ATOM 282 NH1 ARG A 22 -16.029 4.939 -10.581 1.00 0.00 N ATOM 283 NH2 ARG A 22 -13.891 5.124 -11.287 1.00 0.00 N ATOM 0 H ARG A 22 -12.434 0.630 -7.991 1.00 0.00 H new ATOM 0 HA ARG A 22 -14.557 -1.338 -8.571 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -15.481 0.788 -8.417 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.027 1.588 -8.980 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.504 0.676 -11.316 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -16.023 0.044 -10.714 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -16.820 2.117 -11.377 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -16.248 2.602 -9.793 1.00 0.00 H new ATOM 0 HE ARG A 22 -14.274 2.771 -12.068 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -16.862 4.371 -10.425 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -16.035 5.930 -10.341 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -13.052 4.701 -11.683 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -13.898 6.115 -11.047 1.00 0.00 H new ATOM 297 N PRO A 23 -12.431 -0.380 -10.909 1.00 0.00 N ATOM 298 CA PRO A 23 -11.849 -0.754 -12.211 1.00 0.00 C ATOM 299 C PRO A 23 -10.834 -1.887 -12.043 1.00 0.00 C ATOM 300 O PRO A 23 -10.796 -2.555 -11.029 1.00 0.00 O ATOM 301 CB PRO A 23 -11.157 0.529 -12.677 1.00 0.00 C ATOM 302 CG PRO A 23 -10.890 1.367 -11.404 1.00 0.00 C ATOM 303 CD PRO A 23 -11.868 0.856 -10.329 1.00 0.00 C ATOM 0 HA PRO A 23 -12.592 -1.117 -12.921 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -10.225 0.302 -13.195 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -11.786 1.077 -13.378 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -9.857 1.253 -11.074 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -11.047 2.428 -11.598 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -11.356 0.657 -9.387 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -12.648 1.588 -10.119 1.00 0.00 H new ATOM 311 N GLY A 24 -10.006 -2.101 -13.029 1.00 0.00 N ATOM 312 CA GLY A 24 -8.989 -3.184 -12.928 1.00 0.00 C ATOM 313 C GLY A 24 -7.708 -2.610 -12.323 1.00 0.00 C ATOM 314 O GLY A 24 -6.613 -3.030 -12.643 1.00 0.00 O ATOM 0 H GLY A 24 -9.991 -1.572 -13.901 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -9.366 -3.998 -12.308 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.785 -3.602 -13.914 1.00 0.00 H new ATOM 318 N ALA A 25 -7.839 -1.649 -11.451 1.00 0.00 N ATOM 319 CA ALA A 25 -6.637 -1.037 -10.821 1.00 0.00 C ATOM 320 C ALA A 25 -6.150 -1.928 -9.677 1.00 0.00 C ATOM 321 O ALA A 25 -6.933 -2.523 -8.963 1.00 0.00 O ATOM 322 CB ALA A 25 -7.006 0.343 -10.276 1.00 0.00 C ATOM 0 H ALA A 25 -8.731 -1.260 -11.147 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.843 -0.938 -11.561 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.130 0.797 -9.813 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.354 0.976 -11.093 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.797 0.241 -9.533 1.00 0.00 H new ATOM 328 N GLN A 26 -4.860 -2.027 -9.497 1.00 0.00 N ATOM 329 CA GLN A 26 -4.321 -2.879 -8.404 1.00 0.00 C ATOM 330 C GLN A 26 -4.344 -2.108 -7.091 1.00 0.00 C ATOM 331 O GLN A 26 -4.031 -2.639 -6.044 1.00 0.00 O ATOM 332 CB GLN A 26 -2.874 -3.237 -8.722 1.00 0.00 C ATOM 333 CG GLN A 26 -2.835 -4.260 -9.848 1.00 0.00 C ATOM 334 CD GLN A 26 -2.078 -5.506 -9.385 1.00 0.00 C ATOM 335 OE1 GLN A 26 -2.587 -6.283 -8.602 1.00 0.00 O ATOM 336 NE2 GLN A 26 -0.875 -5.729 -9.837 1.00 0.00 N ATOM 0 H GLN A 26 -4.157 -1.552 -10.063 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.930 -3.779 -8.317 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.323 -2.342 -9.011 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.385 -3.639 -7.835 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.849 -4.528 -10.145 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.349 -3.832 -10.725 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.448 -5.076 -10.494 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.361 -6.556 -9.533 1.00 0.00 H new ATOM 345 N CYS A 27 -4.673 -0.852 -7.135 1.00 0.00 N ATOM 346 CA CYS A 27 -4.667 -0.058 -5.881 1.00 0.00 C ATOM 347 C CYS A 27 -5.316 1.303 -6.105 1.00 0.00 C ATOM 348 O CYS A 27 -5.255 1.869 -7.176 1.00 0.00 O ATOM 349 CB CYS A 27 -3.218 0.138 -5.462 1.00 0.00 C ATOM 350 SG CYS A 27 -2.384 1.137 -6.710 1.00 0.00 S ATOM 0 H CYS A 27 -4.944 -0.344 -7.977 1.00 0.00 H new ATOM 0 HA CYS A 27 -5.230 -0.582 -5.109 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.169 0.629 -4.490 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.722 -0.827 -5.357 1.00 0.00 H new ATOM 355 N GLY A 28 -5.923 1.838 -5.087 1.00 0.00 N ATOM 356 CA GLY A 28 -6.564 3.174 -5.209 1.00 0.00 C ATOM 357 C GLY A 28 -5.877 4.122 -4.236 1.00 0.00 C ATOM 358 O GLY A 28 -5.744 5.303 -4.484 1.00 0.00 O ATOM 0 H GLY A 28 -6.004 1.404 -4.168 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.475 3.547 -6.229 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -7.629 3.106 -4.986 1.00 0.00 H new ATOM 362 N GLU A 29 -5.435 3.602 -3.129 1.00 0.00 N ATOM 363 CA GLU A 29 -4.747 4.455 -2.131 1.00 0.00 C ATOM 364 C GLU A 29 -3.712 3.615 -1.377 1.00 0.00 C ATOM 365 O GLU A 29 -3.920 2.446 -1.121 1.00 0.00 O ATOM 366 CB GLU A 29 -5.785 5.017 -1.163 1.00 0.00 C ATOM 367 CG GLU A 29 -6.247 3.917 -0.206 1.00 0.00 C ATOM 368 CD GLU A 29 -5.705 4.198 1.198 1.00 0.00 C ATOM 369 OE1 GLU A 29 -6.378 4.893 1.943 1.00 0.00 O ATOM 370 OE2 GLU A 29 -4.629 3.711 1.506 1.00 0.00 O ATOM 0 H GLU A 29 -5.522 2.618 -2.873 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.236 5.281 -2.626 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.359 5.847 -0.600 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.637 5.412 -1.717 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.336 3.873 -0.185 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.896 2.946 -0.555 1.00 0.00 H new ATOM 377 N GLY A 30 -2.597 4.193 -1.017 1.00 0.00 N ATOM 378 CA GLY A 30 -1.565 3.409 -0.280 1.00 0.00 C ATOM 379 C GLY A 30 -0.201 4.092 -0.409 1.00 0.00 C ATOM 380 O GLY A 30 -0.099 5.223 -0.842 1.00 0.00 O ATOM 0 H GLY A 30 -2.358 5.167 -1.200 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -1.841 3.325 0.771 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -1.513 2.396 -0.678 1.00 0.00 H new ATOM 384 N LEU A 31 0.850 3.412 -0.036 1.00 0.00 N ATOM 385 CA LEU A 31 2.208 4.017 -0.133 1.00 0.00 C ATOM 386 C LEU A 31 2.826 3.660 -1.485 1.00 0.00 C ATOM 387 O LEU A 31 3.669 4.368 -1.997 1.00 0.00 O ATOM 388 CB LEU A 31 3.099 3.463 0.982 1.00 0.00 C ATOM 389 CG LEU A 31 3.438 4.576 1.972 1.00 0.00 C ATOM 390 CD1 LEU A 31 4.442 5.538 1.334 1.00 0.00 C ATOM 391 CD2 LEU A 31 2.163 5.340 2.339 1.00 0.00 C ATOM 0 H LEU A 31 0.825 2.461 0.333 1.00 0.00 H new ATOM 0 HA LEU A 31 2.127 5.100 -0.035 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.590 2.648 1.497 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.014 3.049 0.558 1.00 0.00 H new ATOM 0 HG LEU A 31 3.872 4.141 2.872 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.684 6.332 2.040 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.350 4.995 1.073 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.008 5.973 0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.405 6.134 3.045 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.728 5.775 1.439 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.447 4.656 2.794 1.00 0.00 H new ATOM 403 N CYS A 32 2.421 2.562 -2.061 1.00 0.00 N ATOM 404 CA CYS A 32 2.998 2.160 -3.371 1.00 0.00 C ATOM 405 C CYS A 32 1.894 2.048 -4.420 1.00 0.00 C ATOM 406 O CYS A 32 1.818 1.081 -5.151 1.00 0.00 O ATOM 407 CB CYS A 32 3.701 0.812 -3.219 1.00 0.00 C ATOM 408 SG CYS A 32 5.382 1.087 -2.609 1.00 0.00 S ATOM 0 H CYS A 32 1.717 1.928 -1.681 1.00 0.00 H new ATOM 0 HA CYS A 32 3.715 2.915 -3.694 1.00 0.00 H new ATOM 0 HB2 CYS A 32 3.149 0.176 -2.527 1.00 0.00 H new ATOM 0 HB3 CYS A 32 3.729 0.292 -4.177 1.00 0.00 H new ATOM 413 N CYS A 33 1.047 3.034 -4.513 1.00 0.00 N ATOM 414 CA CYS A 33 -0.037 2.980 -5.529 1.00 0.00 C ATOM 415 C CYS A 33 0.247 4.014 -6.623 1.00 0.00 C ATOM 416 O CYS A 33 -0.087 5.176 -6.500 1.00 0.00 O ATOM 417 CB CYS A 33 -1.388 3.270 -4.869 1.00 0.00 C ATOM 418 SG CYS A 33 -2.695 3.025 -6.084 1.00 0.00 S ATOM 0 H CYS A 33 1.059 3.872 -3.931 1.00 0.00 H new ATOM 0 HA CYS A 33 -0.073 1.984 -5.971 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.539 2.611 -4.014 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -1.411 4.292 -4.491 1.00 0.00 H new ATOM 423 N GLU A 34 0.874 3.595 -7.693 1.00 0.00 N ATOM 424 CA GLU A 34 1.197 4.541 -8.799 1.00 0.00 C ATOM 425 C GLU A 34 0.214 4.337 -9.949 1.00 0.00 C ATOM 426 O GLU A 34 0.134 3.270 -10.525 1.00 0.00 O ATOM 427 CB GLU A 34 2.616 4.267 -9.296 1.00 0.00 C ATOM 428 CG GLU A 34 3.403 5.575 -9.331 1.00 0.00 C ATOM 429 CD GLU A 34 4.271 5.616 -10.590 1.00 0.00 C ATOM 430 OE1 GLU A 34 3.732 5.896 -11.649 1.00 0.00 O ATOM 431 OE2 GLU A 34 5.460 5.365 -10.475 1.00 0.00 O ATOM 0 H GLU A 34 1.177 2.633 -7.847 1.00 0.00 H new ATOM 0 HA GLU A 34 1.124 5.566 -8.435 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.110 3.550 -8.641 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.585 3.822 -10.290 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.719 6.424 -9.321 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.029 5.659 -8.442 1.00 0.00 H new ATOM 438 N GLN A 35 -0.539 5.346 -10.289 1.00 0.00 N ATOM 439 CA GLN A 35 -1.516 5.193 -11.399 1.00 0.00 C ATOM 440 C GLN A 35 -2.492 4.080 -11.032 1.00 0.00 C ATOM 441 O GLN A 35 -2.946 3.329 -11.872 1.00 0.00 O ATOM 442 CB GLN A 35 -0.779 4.828 -12.689 1.00 0.00 C ATOM 443 CG GLN A 35 -1.326 5.669 -13.845 1.00 0.00 C ATOM 444 CD GLN A 35 -0.631 7.032 -13.856 1.00 0.00 C ATOM 445 OE1 GLN A 35 0.143 7.340 -12.971 1.00 0.00 O ATOM 446 NE2 GLN A 35 -0.875 7.868 -14.828 1.00 0.00 N ATOM 0 H GLN A 35 -0.519 6.265 -9.848 1.00 0.00 H new ATOM 0 HA GLN A 35 -2.055 6.128 -11.555 1.00 0.00 H new ATOM 0 HB2 GLN A 35 0.290 5.004 -12.572 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.906 3.767 -12.905 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -1.160 5.156 -14.792 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -2.403 5.799 -13.737 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.524 7.610 -15.571 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -0.416 8.779 -14.844 1.00 0.00 H new ATOM 455 N CYS A 36 -2.802 3.963 -9.772 1.00 0.00 N ATOM 456 CA CYS A 36 -3.733 2.895 -9.326 1.00 0.00 C ATOM 457 C CYS A 36 -3.115 1.528 -9.627 1.00 0.00 C ATOM 458 O CYS A 36 -3.799 0.593 -9.996 1.00 0.00 O ATOM 459 CB CYS A 36 -5.069 3.025 -10.055 1.00 0.00 C ATOM 460 SG CYS A 36 -6.002 4.417 -9.374 1.00 0.00 S ATOM 0 H CYS A 36 -2.448 4.565 -9.029 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.905 2.993 -8.254 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -4.899 3.175 -11.121 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -5.643 2.104 -9.950 1.00 0.00 H new ATOM 465 N LYS A 37 -1.825 1.403 -9.469 1.00 0.00 N ATOM 466 CA LYS A 37 -1.162 0.098 -9.740 1.00 0.00 C ATOM 467 C LYS A 37 -0.210 -0.231 -8.588 1.00 0.00 C ATOM 468 O LYS A 37 0.165 0.627 -7.814 1.00 0.00 O ATOM 469 CB LYS A 37 -0.373 0.188 -11.047 1.00 0.00 C ATOM 470 CG LYS A 37 -1.302 0.646 -12.172 1.00 0.00 C ATOM 471 CD LYS A 37 -1.003 -0.152 -13.442 1.00 0.00 C ATOM 472 CE LYS A 37 -2.301 -0.380 -14.219 1.00 0.00 C ATOM 473 NZ LYS A 37 -2.437 0.663 -15.274 1.00 0.00 N ATOM 0 H LYS A 37 -1.202 2.150 -9.163 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.915 -0.685 -9.827 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.455 0.888 -10.937 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.060 -0.782 -11.291 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.342 0.505 -11.878 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.165 1.711 -12.359 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.285 0.386 -14.062 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.548 -1.108 -13.185 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.297 -1.372 -14.671 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.154 -0.341 -13.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.319 0.509 -15.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.459 1.604 -14.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.628 0.605 -15.925 1.00 0.00 H new ATOM 487 N PHE A 38 0.181 -1.470 -8.463 1.00 0.00 N ATOM 488 CA PHE A 38 1.104 -1.851 -7.356 1.00 0.00 C ATOM 489 C PHE A 38 2.538 -1.468 -7.728 1.00 0.00 C ATOM 490 O PHE A 38 3.049 -1.863 -8.758 1.00 0.00 O ATOM 491 CB PHE A 38 1.032 -3.365 -7.130 1.00 0.00 C ATOM 492 CG PHE A 38 -0.221 -3.732 -6.365 1.00 0.00 C ATOM 493 CD1 PHE A 38 -0.723 -2.883 -5.367 1.00 0.00 C ATOM 494 CD2 PHE A 38 -0.882 -4.931 -6.659 1.00 0.00 C ATOM 495 CE1 PHE A 38 -1.884 -3.238 -4.668 1.00 0.00 C ATOM 496 CE2 PHE A 38 -2.041 -5.283 -5.959 1.00 0.00 C ATOM 497 CZ PHE A 38 -2.542 -4.437 -4.964 1.00 0.00 C ATOM 0 H PHE A 38 -0.098 -2.234 -9.079 1.00 0.00 H new ATOM 0 HA PHE A 38 0.810 -1.328 -6.446 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.043 -3.882 -8.090 1.00 0.00 H new ATOM 0 HB3 PHE A 38 1.911 -3.698 -6.579 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.215 -1.958 -5.138 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.497 -5.585 -7.427 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.272 -2.585 -3.900 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.549 -6.208 -6.187 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.437 -4.709 -4.424 1.00 0.00 H new ATOM 507 N SER A 39 3.197 -0.710 -6.894 1.00 0.00 N ATOM 508 CA SER A 39 4.600 -0.314 -7.197 1.00 0.00 C ATOM 509 C SER A 39 5.474 -1.573 -7.243 1.00 0.00 C ATOM 510 O SER A 39 5.075 -2.590 -7.774 1.00 0.00 O ATOM 511 CB SER A 39 5.107 0.638 -6.111 1.00 0.00 C ATOM 512 OG SER A 39 4.096 1.592 -5.814 1.00 0.00 O ATOM 0 H SER A 39 2.824 -0.348 -6.016 1.00 0.00 H new ATOM 0 HA SER A 39 4.645 0.194 -8.161 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.369 0.078 -5.214 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.012 1.143 -6.448 1.00 0.00 H new ATOM 0 HG SER A 39 3.230 1.260 -6.129 1.00 0.00 H new ATOM 518 N ARG A 40 6.659 -1.527 -6.693 1.00 0.00 N ATOM 519 CA ARG A 40 7.531 -2.736 -6.721 1.00 0.00 C ATOM 520 C ARG A 40 8.040 -3.040 -5.308 1.00 0.00 C ATOM 521 O ARG A 40 8.138 -2.167 -4.470 1.00 0.00 O ATOM 522 CB ARG A 40 8.719 -2.489 -7.654 1.00 0.00 C ATOM 523 CG ARG A 40 9.716 -1.544 -6.979 1.00 0.00 C ATOM 524 CD ARG A 40 10.835 -1.192 -7.962 1.00 0.00 C ATOM 525 NE ARG A 40 12.000 -0.650 -7.209 1.00 0.00 N ATOM 526 CZ ARG A 40 13.162 -1.238 -7.291 1.00 0.00 C ATOM 527 NH1 ARG A 40 13.777 -1.311 -8.439 1.00 0.00 N ATOM 528 NH2 ARG A 40 13.711 -1.753 -6.224 1.00 0.00 N ATOM 0 H ARG A 40 7.058 -0.711 -6.229 1.00 0.00 H new ATOM 0 HA ARG A 40 6.955 -3.587 -7.085 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.206 -3.434 -7.897 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.373 -2.058 -8.593 1.00 0.00 H new ATOM 0 HG2 ARG A 40 9.208 -0.637 -6.651 1.00 0.00 H new ATOM 0 HG3 ARG A 40 10.134 -2.015 -6.090 1.00 0.00 H new ATOM 0 HD2 ARG A 40 11.131 -2.077 -8.525 1.00 0.00 H new ATOM 0 HD3 ARG A 40 10.481 -0.457 -8.685 1.00 0.00 H new ATOM 0 HE ARG A 40 11.889 0.182 -6.629 1.00 0.00 H new ATOM 0 HH11 ARG A 40 13.350 -0.908 -9.273 1.00 0.00 H new ATOM 0 HH12 ARG A 40 14.685 -1.771 -8.503 1.00 0.00 H new ATOM 0 HH21 ARG A 40 13.231 -1.696 -5.326 1.00 0.00 H new ATOM 0 HH22 ARG A 40 14.619 -2.212 -6.289 1.00 0.00 H new ATOM 542 N ALA A 41 8.363 -4.278 -5.043 1.00 0.00 N ATOM 543 CA ALA A 41 8.867 -4.650 -3.692 1.00 0.00 C ATOM 544 C ALA A 41 10.269 -4.081 -3.499 1.00 0.00 C ATOM 545 O ALA A 41 10.914 -3.664 -4.440 1.00 0.00 O ATOM 546 CB ALA A 41 8.916 -6.174 -3.564 1.00 0.00 C ATOM 0 H ALA A 41 8.299 -5.049 -5.708 1.00 0.00 H new ATOM 0 HA ALA A 41 8.199 -4.243 -2.932 1.00 0.00 H new ATOM 0 HB1 ALA A 41 9.285 -6.444 -2.575 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.915 -6.583 -3.702 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.583 -6.582 -4.324 1.00 0.00 H new ATOM 552 N GLY A 42 10.745 -4.047 -2.286 1.00 0.00 N ATOM 553 CA GLY A 42 12.101 -3.487 -2.049 1.00 0.00 C ATOM 554 C GLY A 42 12.037 -1.983 -2.293 1.00 0.00 C ATOM 555 O GLY A 42 13.021 -1.353 -2.624 1.00 0.00 O ATOM 0 H GLY A 42 10.257 -4.381 -1.455 1.00 0.00 H new ATOM 0 HA2 GLY A 42 12.427 -3.694 -1.030 1.00 0.00 H new ATOM 0 HA3 GLY A 42 12.827 -3.951 -2.716 1.00 0.00 H new ATOM 559 N LYS A 43 10.874 -1.405 -2.148 1.00 0.00 N ATOM 560 CA LYS A 43 10.745 0.064 -2.394 1.00 0.00 C ATOM 561 C LYS A 43 10.664 0.809 -1.054 1.00 0.00 C ATOM 562 O LYS A 43 9.835 0.521 -0.220 1.00 0.00 O ATOM 563 CB LYS A 43 9.488 0.316 -3.256 1.00 0.00 C ATOM 564 CG LYS A 43 8.745 1.586 -2.810 1.00 0.00 C ATOM 565 CD LYS A 43 9.559 2.818 -3.208 1.00 0.00 C ATOM 566 CE LYS A 43 8.787 3.623 -4.255 1.00 0.00 C ATOM 567 NZ LYS A 43 8.887 2.944 -5.578 1.00 0.00 N ATOM 0 H LYS A 43 10.014 -1.880 -1.873 1.00 0.00 H new ATOM 0 HA LYS A 43 11.617 0.438 -2.930 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.776 0.410 -4.303 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.819 -0.542 -3.186 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.758 1.624 -3.271 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.592 1.571 -1.731 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.756 3.436 -2.332 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.526 2.514 -3.608 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.742 3.715 -3.960 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.190 4.634 -4.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.362 3.491 -6.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.886 2.878 -5.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.483 1.988 -5.509 1.00 0.00 H new ATOM 581 N ILE A 44 11.517 1.775 -0.849 1.00 0.00 N ATOM 582 CA ILE A 44 11.480 2.536 0.431 1.00 0.00 C ATOM 583 C ILE A 44 10.085 3.139 0.627 1.00 0.00 C ATOM 584 O ILE A 44 9.820 4.261 0.242 1.00 0.00 O ATOM 585 CB ILE A 44 12.519 3.657 0.392 1.00 0.00 C ATOM 586 CG1 ILE A 44 12.334 4.568 1.608 1.00 0.00 C ATOM 587 CG2 ILE A 44 12.336 4.474 -0.883 1.00 0.00 C ATOM 588 CD1 ILE A 44 12.805 3.840 2.866 1.00 0.00 C ATOM 0 H ILE A 44 12.236 2.069 -1.510 1.00 0.00 H new ATOM 0 HA ILE A 44 11.705 1.863 1.258 1.00 0.00 H new ATOM 0 HB ILE A 44 13.519 3.225 0.409 1.00 0.00 H new ATOM 0 HG12 ILE A 44 12.900 5.490 1.475 1.00 0.00 H new ATOM 0 HG13 ILE A 44 11.286 4.850 1.709 1.00 0.00 H new ATOM 0 HG21 ILE A 44 13.076 5.274 -0.912 1.00 0.00 H new ATOM 0 HG22 ILE A 44 12.466 3.828 -1.751 1.00 0.00 H new ATOM 0 HG23 ILE A 44 11.335 4.905 -0.898 1.00 0.00 H new ATOM 0 HD11 ILE A 44 12.674 4.488 3.732 1.00 0.00 H new ATOM 0 HD12 ILE A 44 12.219 2.931 3.001 1.00 0.00 H new ATOM 0 HD13 ILE A 44 13.859 3.581 2.763 1.00 0.00 H new ATOM 600 N CYS A 45 9.195 2.396 1.222 1.00 0.00 N ATOM 601 CA CYS A 45 7.807 2.910 1.450 1.00 0.00 C ATOM 602 C CYS A 45 7.772 3.784 2.704 1.00 0.00 C ATOM 603 O CYS A 45 6.910 4.626 2.860 1.00 0.00 O ATOM 604 CB CYS A 45 6.842 1.741 1.637 1.00 0.00 C ATOM 605 SG CYS A 45 7.576 0.497 2.731 1.00 0.00 S ATOM 0 H CYS A 45 9.366 1.450 1.563 1.00 0.00 H new ATOM 0 HA CYS A 45 7.508 3.499 0.583 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.903 2.099 2.059 1.00 0.00 H new ATOM 0 HB3 CYS A 45 6.608 1.294 0.671 1.00 0.00 H new ATOM 610 N ARG A 46 8.691 3.588 3.606 1.00 0.00 N ATOM 611 CA ARG A 46 8.691 4.408 4.851 1.00 0.00 C ATOM 612 C ARG A 46 10.106 4.481 5.426 1.00 0.00 C ATOM 613 O ARG A 46 10.878 3.550 5.322 1.00 0.00 O ATOM 614 CB ARG A 46 7.760 3.764 5.882 1.00 0.00 C ATOM 615 CG ARG A 46 6.420 3.428 5.222 1.00 0.00 C ATOM 616 CD ARG A 46 5.449 2.899 6.279 1.00 0.00 C ATOM 617 NE ARG A 46 4.050 3.144 5.831 1.00 0.00 N ATOM 618 CZ ARG A 46 3.099 3.295 6.713 1.00 0.00 C ATOM 619 NH1 ARG A 46 3.238 4.160 7.679 1.00 0.00 N ATOM 620 NH2 ARG A 46 2.011 2.579 6.629 1.00 0.00 N ATOM 0 H ARG A 46 9.440 2.899 3.537 1.00 0.00 H new ATOM 0 HA ARG A 46 8.345 5.415 4.617 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.216 2.859 6.284 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.604 4.443 6.721 1.00 0.00 H new ATOM 0 HG2 ARG A 46 6.005 4.315 4.744 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.564 2.683 4.440 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.611 1.833 6.436 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.629 3.393 7.234 1.00 0.00 H new ATOM 0 HE ARG A 46 3.835 3.194 4.835 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.089 4.718 7.745 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.496 4.278 8.368 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.903 1.901 5.874 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.268 2.697 7.318 1.00 0.00 H new ATOM 634 N ILE A 47 10.449 5.581 6.039 1.00 0.00 N ATOM 635 CA ILE A 47 11.811 5.708 6.623 1.00 0.00 C ATOM 636 C ILE A 47 11.726 5.527 8.145 1.00 0.00 C ATOM 637 O ILE A 47 11.020 6.244 8.826 1.00 0.00 O ATOM 638 CB ILE A 47 12.397 7.088 6.257 1.00 0.00 C ATOM 639 CG1 ILE A 47 13.848 6.911 5.802 1.00 0.00 C ATOM 640 CG2 ILE A 47 12.356 8.046 7.455 1.00 0.00 C ATOM 641 CD1 ILE A 47 14.645 6.194 6.894 1.00 0.00 C ATOM 0 H ILE A 47 9.846 6.394 6.160 1.00 0.00 H new ATOM 0 HA ILE A 47 12.470 4.939 6.220 1.00 0.00 H new ATOM 0 HB ILE A 47 11.795 7.517 5.456 1.00 0.00 H new ATOM 0 HG12 ILE A 47 13.882 6.336 4.876 1.00 0.00 H new ATOM 0 HG13 ILE A 47 14.294 7.883 5.591 1.00 0.00 H new ATOM 0 HG21 ILE A 47 12.776 9.009 7.165 1.00 0.00 H new ATOM 0 HG22 ILE A 47 11.324 8.182 7.777 1.00 0.00 H new ATOM 0 HG23 ILE A 47 12.940 7.628 8.275 1.00 0.00 H new ATOM 0 HD11 ILE A 47 15.678 6.069 6.568 1.00 0.00 H new ATOM 0 HD12 ILE A 47 14.622 6.786 7.809 1.00 0.00 H new ATOM 0 HD13 ILE A 47 14.203 5.216 7.084 1.00 0.00 H new ATOM 653 N ALA A 48 12.437 4.575 8.680 1.00 0.00 N ATOM 654 CA ALA A 48 12.393 4.353 10.152 1.00 0.00 C ATOM 655 C ALA A 48 13.369 5.306 10.844 1.00 0.00 C ATOM 656 O ALA A 48 14.147 5.988 10.206 1.00 0.00 O ATOM 657 CB ALA A 48 12.791 2.909 10.462 1.00 0.00 C ATOM 0 H ALA A 48 13.046 3.941 8.163 1.00 0.00 H new ATOM 0 HA ALA A 48 11.382 4.540 10.515 1.00 0.00 H new ATOM 0 HB1 ALA A 48 12.759 2.746 11.539 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.097 2.227 9.971 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.801 2.724 10.097 1.00 0.00 H new ATOM 663 N ARG A 49 13.333 5.357 12.146 1.00 0.00 N ATOM 664 CA ARG A 49 14.257 6.262 12.887 1.00 0.00 C ATOM 665 C ARG A 49 14.671 5.593 14.200 1.00 0.00 C ATOM 666 O ARG A 49 13.845 5.270 15.030 1.00 0.00 O ATOM 667 CB ARG A 49 13.543 7.582 13.190 1.00 0.00 C ATOM 668 CG ARG A 49 14.501 8.751 12.948 1.00 0.00 C ATOM 669 CD ARG A 49 14.168 9.894 13.910 1.00 0.00 C ATOM 670 NE ARG A 49 14.553 9.506 15.295 1.00 0.00 N ATOM 671 CZ ARG A 49 15.724 9.837 15.764 1.00 0.00 C ATOM 672 NH1 ARG A 49 16.051 11.096 15.871 1.00 0.00 N ATOM 673 NH2 ARG A 49 16.569 8.911 16.125 1.00 0.00 N ATOM 0 H ARG A 49 12.702 4.810 12.731 1.00 0.00 H new ATOM 0 HA ARG A 49 15.141 6.459 12.281 1.00 0.00 H new ATOM 0 HB2 ARG A 49 12.662 7.684 12.557 1.00 0.00 H new ATOM 0 HB3 ARG A 49 13.196 7.591 14.223 1.00 0.00 H new ATOM 0 HG2 ARG A 49 15.531 8.427 13.095 1.00 0.00 H new ATOM 0 HG3 ARG A 49 14.419 9.094 11.917 1.00 0.00 H new ATOM 0 HD2 ARG A 49 14.699 10.799 13.614 1.00 0.00 H new ATOM 0 HD3 ARG A 49 13.103 10.121 13.867 1.00 0.00 H new ATOM 0 HE ARG A 49 13.901 8.981 15.877 1.00 0.00 H new ATOM 0 HH11 ARG A 49 15.391 11.820 15.588 1.00 0.00 H new ATOM 0 HH12 ARG A 49 16.967 11.356 16.238 1.00 0.00 H new ATOM 0 HH21 ARG A 49 16.314 7.927 16.041 1.00 0.00 H new ATOM 0 HH22 ARG A 49 17.485 9.171 16.492 1.00 0.00 H new ATOM 687 N GLY A 50 15.944 5.382 14.396 1.00 0.00 N ATOM 688 CA GLY A 50 16.403 4.733 15.658 1.00 0.00 C ATOM 689 C GLY A 50 17.604 3.837 15.370 1.00 0.00 C ATOM 690 O GLY A 50 18.618 3.903 16.038 1.00 0.00 O ATOM 0 H GLY A 50 16.684 5.630 13.740 1.00 0.00 H new ATOM 0 HA2 GLY A 50 16.672 5.493 16.392 1.00 0.00 H new ATOM 0 HA3 GLY A 50 15.594 4.145 16.091 1.00 0.00 H new ATOM 694 N ASP A 51 17.499 2.999 14.384 1.00 0.00 N ATOM 695 CA ASP A 51 18.635 2.093 14.051 1.00 0.00 C ATOM 696 C ASP A 51 18.203 1.078 12.996 1.00 0.00 C ATOM 697 O ASP A 51 18.853 0.904 11.984 1.00 0.00 O ATOM 698 CB ASP A 51 19.084 1.356 15.315 1.00 0.00 C ATOM 699 CG ASP A 51 20.403 1.951 15.814 1.00 0.00 C ATOM 700 OD1 ASP A 51 21.204 2.345 14.982 1.00 0.00 O ATOM 701 OD2 ASP A 51 20.587 2.001 17.018 1.00 0.00 O ATOM 0 H ASP A 51 16.676 2.899 13.790 1.00 0.00 H new ATOM 0 HA ASP A 51 19.461 2.685 13.657 1.00 0.00 H new ATOM 0 HB2 ASP A 51 18.320 1.440 16.088 1.00 0.00 H new ATOM 0 HB3 ASP A 51 19.209 0.294 15.104 1.00 0.00 H new ATOM 706 N TRP A 52 17.118 0.403 13.226 1.00 0.00 N ATOM 707 CA TRP A 52 16.650 -0.609 12.236 1.00 0.00 C ATOM 708 C TRP A 52 16.663 0.007 10.834 1.00 0.00 C ATOM 709 O TRP A 52 16.664 1.210 10.673 1.00 0.00 O ATOM 710 CB TRP A 52 15.232 -1.070 12.587 1.00 0.00 C ATOM 711 CG TRP A 52 14.438 0.081 13.110 1.00 0.00 C ATOM 712 CD1 TRP A 52 13.724 0.938 12.348 1.00 0.00 C ATOM 713 CD2 TRP A 52 14.260 0.513 14.490 1.00 0.00 C ATOM 714 NE1 TRP A 52 13.120 1.872 13.171 1.00 0.00 N ATOM 715 CE2 TRP A 52 13.420 1.652 14.500 1.00 0.00 C ATOM 716 CE3 TRP A 52 14.742 0.033 15.720 1.00 0.00 C ATOM 717 CZ2 TRP A 52 13.070 2.291 15.690 1.00 0.00 C ATOM 718 CZ3 TRP A 52 14.392 0.673 16.919 1.00 0.00 C ATOM 719 CH2 TRP A 52 13.558 1.799 16.905 1.00 0.00 C ATOM 0 H TRP A 52 16.532 0.505 14.055 1.00 0.00 H new ATOM 0 HA TRP A 52 17.317 -1.471 12.261 1.00 0.00 H new ATOM 0 HB2 TRP A 52 14.747 -1.486 11.704 1.00 0.00 H new ATOM 0 HB3 TRP A 52 15.273 -1.864 13.333 1.00 0.00 H new ATOM 0 HD1 TRP A 52 13.639 0.900 11.272 1.00 0.00 H new ATOM 0 HE1 TRP A 52 12.526 2.630 12.836 1.00 0.00 H new ATOM 0 HE3 TRP A 52 15.386 -0.834 15.743 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 12.427 3.159 15.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 14.768 0.295 17.858 1.00 0.00 H new ATOM 0 HH2 TRP A 52 13.292 2.286 17.831 1.00 0.00 H new ATOM 730 N ASN A 53 16.688 -0.814 9.819 1.00 0.00 N ATOM 731 CA ASN A 53 16.717 -0.287 8.424 1.00 0.00 C ATOM 732 C ASN A 53 15.470 0.560 8.151 1.00 0.00 C ATOM 733 O ASN A 53 14.702 0.863 9.042 1.00 0.00 O ATOM 734 CB ASN A 53 16.761 -1.462 7.444 1.00 0.00 C ATOM 735 CG ASN A 53 17.862 -2.437 7.866 1.00 0.00 C ATOM 736 OD1 ASN A 53 17.730 -3.126 8.858 1.00 0.00 O ATOM 737 ND2 ASN A 53 18.951 -2.522 7.153 1.00 0.00 N ATOM 0 H ASN A 53 16.690 -1.831 9.896 1.00 0.00 H new ATOM 0 HA ASN A 53 17.601 0.337 8.296 1.00 0.00 H new ATOM 0 HB2 ASN A 53 15.797 -1.971 7.426 1.00 0.00 H new ATOM 0 HB3 ASN A 53 16.949 -1.100 6.433 1.00 0.00 H new ATOM 0 HD21 ASN A 53 19.692 -3.167 7.428 1.00 0.00 H new ATOM 0 HD22 ASN A 53 19.062 -1.944 6.320 1.00 0.00 H new ATOM 744 N ASP A 54 15.270 0.947 6.917 1.00 0.00 N ATOM 745 CA ASP A 54 14.083 1.778 6.568 1.00 0.00 C ATOM 746 C ASP A 54 12.867 0.866 6.342 1.00 0.00 C ATOM 747 O ASP A 54 12.673 -0.102 7.049 1.00 0.00 O ATOM 748 CB ASP A 54 14.388 2.576 5.295 1.00 0.00 C ATOM 749 CG ASP A 54 14.672 1.614 4.140 1.00 0.00 C ATOM 750 OD1 ASP A 54 14.299 0.457 4.251 1.00 0.00 O ATOM 751 OD2 ASP A 54 15.257 2.050 3.163 1.00 0.00 O ATOM 0 H ASP A 54 15.882 0.721 6.133 1.00 0.00 H new ATOM 0 HA ASP A 54 13.860 2.468 7.382 1.00 0.00 H new ATOM 0 HB2 ASP A 54 13.544 3.219 5.046 1.00 0.00 H new ATOM 0 HB3 ASP A 54 15.247 3.227 5.459 1.00 0.00 H new ATOM 756 N ASP A 55 12.048 1.160 5.363 1.00 0.00 N ATOM 757 CA ASP A 55 10.854 0.302 5.106 1.00 0.00 C ATOM 758 C ASP A 55 10.757 0.017 3.606 1.00 0.00 C ATOM 759 O ASP A 55 10.688 0.920 2.798 1.00 0.00 O ATOM 760 CB ASP A 55 9.591 1.029 5.573 1.00 0.00 C ATOM 761 CG ASP A 55 8.761 0.096 6.454 1.00 0.00 C ATOM 762 OD1 ASP A 55 8.732 -1.089 6.166 1.00 0.00 O ATOM 763 OD2 ASP A 55 8.167 0.582 7.403 1.00 0.00 O ATOM 0 H ASP A 55 12.155 1.955 4.733 1.00 0.00 H new ATOM 0 HA ASP A 55 10.950 -0.636 5.653 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.860 1.927 6.129 1.00 0.00 H new ATOM 0 HB3 ASP A 55 9.005 1.351 4.712 1.00 0.00 H new ATOM 768 N ARG A 56 10.759 -1.232 3.226 1.00 0.00 N ATOM 769 CA ARG A 56 10.679 -1.571 1.777 1.00 0.00 C ATOM 770 C ARG A 56 9.258 -1.993 1.409 1.00 0.00 C ATOM 771 O ARG A 56 8.596 -2.702 2.141 1.00 0.00 O ATOM 772 CB ARG A 56 11.635 -2.723 1.475 1.00 0.00 C ATOM 773 CG ARG A 56 13.057 -2.330 1.875 1.00 0.00 C ATOM 774 CD ARG A 56 13.762 -1.678 0.684 1.00 0.00 C ATOM 775 NE ARG A 56 14.961 -0.936 1.164 1.00 0.00 N ATOM 776 CZ ARG A 56 16.137 -1.202 0.662 1.00 0.00 C ATOM 777 NH1 ARG A 56 16.599 -2.422 0.695 1.00 0.00 N ATOM 778 NH2 ARG A 56 16.852 -0.247 0.131 1.00 0.00 N ATOM 0 H ARG A 56 10.813 -2.032 3.857 1.00 0.00 H new ATOM 0 HA ARG A 56 10.953 -0.692 1.193 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.327 -3.616 2.019 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.600 -2.969 0.414 1.00 0.00 H new ATOM 0 HG2 ARG A 56 13.031 -1.640 2.718 1.00 0.00 H new ATOM 0 HG3 ARG A 56 13.611 -3.210 2.201 1.00 0.00 H new ATOM 0 HD2 ARG A 56 14.057 -2.439 -0.039 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.081 -0.998 0.172 1.00 0.00 H new ATOM 0 HE ARG A 56 14.864 -0.220 1.884 1.00 0.00 H new ATOM 0 HH11 ARG A 56 16.042 -3.167 1.113 1.00 0.00 H new ATOM 0 HH12 ARG A 56 17.517 -2.630 0.303 1.00 0.00 H new ATOM 0 HH21 ARG A 56 16.492 0.707 0.108 1.00 0.00 H new ATOM 0 HH22 ARG A 56 17.770 -0.455 -0.261 1.00 0.00 H new ATOM 792 N CYS A 57 8.792 -1.571 0.266 1.00 0.00 N ATOM 793 CA CYS A 57 7.427 -1.950 -0.175 1.00 0.00 C ATOM 794 C CYS A 57 7.435 -3.419 -0.563 1.00 0.00 C ATOM 795 O CYS A 57 8.463 -3.955 -0.937 1.00 0.00 O ATOM 796 CB CYS A 57 7.032 -1.124 -1.397 1.00 0.00 C ATOM 797 SG CYS A 57 5.545 -0.161 -1.032 1.00 0.00 S ATOM 0 H CYS A 57 9.305 -0.975 -0.384 1.00 0.00 H new ATOM 0 HA CYS A 57 6.717 -1.769 0.632 1.00 0.00 H new ATOM 0 HB2 CYS A 57 7.848 -0.458 -1.676 1.00 0.00 H new ATOM 0 HB3 CYS A 57 6.851 -1.781 -2.248 1.00 0.00 H new ATOM 802 N THR A 58 6.300 -4.063 -0.486 1.00 0.00 N ATOM 803 CA THR A 58 6.218 -5.503 -0.856 1.00 0.00 C ATOM 804 C THR A 58 6.140 -5.634 -2.378 1.00 0.00 C ATOM 805 O THR A 58 6.473 -6.657 -2.940 1.00 0.00 O ATOM 806 CB THR A 58 4.964 -6.118 -0.231 1.00 0.00 C ATOM 807 OG1 THR A 58 4.356 -5.169 0.635 1.00 0.00 O ATOM 808 CG2 THR A 58 5.348 -7.365 0.564 1.00 0.00 C ATOM 0 H THR A 58 5.420 -3.648 -0.180 1.00 0.00 H new ATOM 0 HA THR A 58 7.103 -6.023 -0.489 1.00 0.00 H new ATOM 0 HB THR A 58 4.262 -6.395 -1.018 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.764 -5.632 1.264 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.454 -7.802 1.009 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.815 -8.091 -0.101 1.00 0.00 H new ATOM 0 HG23 THR A 58 6.049 -7.092 1.353 1.00 0.00 H new ATOM 816 N GLY A 59 5.701 -4.603 -3.048 1.00 0.00 N ATOM 817 CA GLY A 59 5.602 -4.668 -4.535 1.00 0.00 C ATOM 818 C GLY A 59 4.210 -5.155 -4.941 1.00 0.00 C ATOM 819 O GLY A 59 3.750 -4.900 -6.036 1.00 0.00 O ATOM 0 H GLY A 59 5.407 -3.720 -2.631 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.793 -3.685 -4.965 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.362 -5.342 -4.930 1.00 0.00 H new ATOM 823 N GLN A 60 3.534 -5.858 -4.073 1.00 0.00 N ATOM 824 CA GLN A 60 2.175 -6.360 -4.422 1.00 0.00 C ATOM 825 C GLN A 60 1.141 -5.751 -3.474 1.00 0.00 C ATOM 826 O GLN A 60 -0.049 -5.923 -3.645 1.00 0.00 O ATOM 827 CB GLN A 60 2.147 -7.885 -4.294 1.00 0.00 C ATOM 828 CG GLN A 60 3.081 -8.503 -5.336 1.00 0.00 C ATOM 829 CD GLN A 60 4.480 -8.661 -4.738 1.00 0.00 C ATOM 830 OE1 GLN A 60 5.323 -7.802 -4.902 1.00 0.00 O ATOM 831 NE2 GLN A 60 4.765 -9.731 -4.047 1.00 0.00 N ATOM 0 H GLN A 60 3.863 -6.106 -3.140 1.00 0.00 H new ATOM 0 HA GLN A 60 1.937 -6.075 -5.447 1.00 0.00 H new ATOM 0 HB2 GLN A 60 2.456 -8.182 -3.292 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.131 -8.254 -4.437 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.698 -9.473 -5.653 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.122 -7.871 -6.223 1.00 0.00 H new ATOM 0 HE21 GLN A 60 4.057 -10.453 -3.909 1.00 0.00 H new ATOM 0 HE22 GLN A 60 5.695 -9.846 -3.645 1.00 0.00 H new ATOM 840 N SER A 61 1.584 -5.041 -2.472 1.00 0.00 N ATOM 841 CA SER A 61 0.621 -4.425 -1.516 1.00 0.00 C ATOM 842 C SER A 61 0.643 -2.904 -1.670 1.00 0.00 C ATOM 843 O SER A 61 1.633 -2.257 -1.392 1.00 0.00 O ATOM 844 CB SER A 61 1.014 -4.798 -0.086 1.00 0.00 C ATOM 845 OG SER A 61 0.691 -3.723 0.787 1.00 0.00 O ATOM 0 H SER A 61 2.568 -4.861 -2.275 1.00 0.00 H new ATOM 0 HA SER A 61 -0.383 -4.794 -1.727 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.490 -5.702 0.223 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.081 -5.015 -0.035 1.00 0.00 H new ATOM 0 HG SER A 61 1.374 -3.025 0.713 1.00 0.00 H new ATOM 851 N ALA A 62 -0.441 -2.326 -2.108 1.00 0.00 N ATOM 852 CA ALA A 62 -0.484 -0.845 -2.275 1.00 0.00 C ATOM 853 C ALA A 62 0.088 -0.181 -1.023 1.00 0.00 C ATOM 854 O ALA A 62 0.847 0.765 -1.102 1.00 0.00 O ATOM 855 CB ALA A 62 -1.932 -0.397 -2.475 1.00 0.00 C ATOM 0 H ALA A 62 -1.300 -2.815 -2.358 1.00 0.00 H new ATOM 0 HA ALA A 62 0.107 -0.556 -3.144 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -1.964 0.686 -2.597 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.341 -0.875 -3.365 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.524 -0.682 -1.605 1.00 0.00 H new ATOM 861 N ASP A 63 -0.265 -0.672 0.133 1.00 0.00 N ATOM 862 CA ASP A 63 0.267 -0.069 1.385 1.00 0.00 C ATOM 863 C ASP A 63 1.683 -0.587 1.625 1.00 0.00 C ATOM 864 O ASP A 63 2.274 -1.221 0.774 1.00 0.00 O ATOM 865 CB ASP A 63 -0.626 -0.456 2.565 1.00 0.00 C ATOM 866 CG ASP A 63 -2.075 -0.572 2.092 1.00 0.00 C ATOM 867 OD1 ASP A 63 -2.731 0.453 1.992 1.00 0.00 O ATOM 868 OD2 ASP A 63 -2.508 -1.684 1.837 1.00 0.00 O ATOM 0 H ASP A 63 -0.897 -1.462 0.264 1.00 0.00 H new ATOM 0 HA ASP A 63 0.282 1.017 1.290 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.294 -1.403 2.990 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.549 0.292 3.354 1.00 0.00 H new ATOM 873 N CYS A 64 2.237 -0.322 2.774 1.00 0.00 N ATOM 874 CA CYS A 64 3.618 -0.800 3.054 1.00 0.00 C ATOM 875 C CYS A 64 3.648 -1.545 4.384 1.00 0.00 C ATOM 876 O CYS A 64 2.994 -1.161 5.333 1.00 0.00 O ATOM 877 CB CYS A 64 4.570 0.404 3.082 1.00 0.00 C ATOM 878 SG CYS A 64 6.086 -0.002 3.994 1.00 0.00 S ATOM 0 H CYS A 64 1.795 0.203 3.529 1.00 0.00 H new ATOM 0 HA CYS A 64 3.939 -1.487 2.271 1.00 0.00 H new ATOM 0 HB2 CYS A 64 4.820 0.700 2.063 1.00 0.00 H new ATOM 0 HB3 CYS A 64 4.075 1.255 3.549 1.00 0.00 H new ATOM 883 N PRO A 65 4.421 -2.600 4.402 1.00 0.00 N ATOM 884 CA PRO A 65 4.581 -3.444 5.587 1.00 0.00 C ATOM 885 C PRO A 65 5.561 -2.797 6.571 1.00 0.00 C ATOM 886 O PRO A 65 5.826 -1.613 6.510 1.00 0.00 O ATOM 887 CB PRO A 65 5.161 -4.739 5.019 1.00 0.00 C ATOM 888 CG PRO A 65 5.822 -4.383 3.671 1.00 0.00 C ATOM 889 CD PRO A 65 5.210 -3.051 3.229 1.00 0.00 C ATOM 0 HA PRO A 65 3.653 -3.599 6.137 1.00 0.00 H new ATOM 0 HB2 PRO A 65 5.891 -5.168 5.705 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.378 -5.484 4.880 1.00 0.00 H new ATOM 0 HG2 PRO A 65 6.903 -4.297 3.779 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.637 -5.161 2.930 1.00 0.00 H new ATOM 0 HD2 PRO A 65 5.981 -2.327 2.967 1.00 0.00 H new ATOM 0 HD3 PRO A 65 4.578 -3.176 2.350 1.00 0.00 H new ATOM 897 N ARG A 66 6.106 -3.568 7.470 1.00 0.00 N ATOM 898 CA ARG A 66 7.076 -3.003 8.453 1.00 0.00 C ATOM 899 C ARG A 66 7.939 -4.133 9.017 1.00 0.00 C ATOM 900 O ARG A 66 7.636 -5.299 8.854 1.00 0.00 O ATOM 901 CB ARG A 66 6.323 -2.317 9.599 1.00 0.00 C ATOM 902 CG ARG A 66 4.963 -2.987 9.809 1.00 0.00 C ATOM 903 CD ARG A 66 3.854 -2.069 9.289 1.00 0.00 C ATOM 904 NE ARG A 66 2.810 -2.886 8.607 1.00 0.00 N ATOM 905 CZ ARG A 66 1.918 -2.305 7.851 1.00 0.00 C ATOM 906 NH1 ARG A 66 1.520 -1.093 8.124 1.00 0.00 N ATOM 907 NH2 ARG A 66 1.422 -2.940 6.824 1.00 0.00 N ATOM 0 H ARG A 66 5.922 -4.567 7.568 1.00 0.00 H new ATOM 0 HA ARG A 66 7.708 -2.269 7.952 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.910 -2.373 10.516 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.185 -1.260 9.373 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.933 -3.943 9.287 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.809 -3.197 10.867 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.412 -1.511 10.115 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.269 -1.337 8.596 1.00 0.00 H new ATOM 0 HE ARG A 66 2.793 -3.898 8.731 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.906 -0.599 8.928 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.823 -0.640 7.533 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.731 -3.889 6.613 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.725 -2.487 6.233 1.00 0.00 H new