USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 470 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 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 9 LYS NZ :NH3+ 160:sc= -0.0469 (180deg=-0.811) USER MOD Single : A 13 LYS NZ :NH3+ -179:sc= -0.812 (180deg=-0.82) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl -164:sc= 0 (180deg=-0.156) USER MOD Single : A 16 MET CE :methyl -158:sc= 0 (180deg=-0.0232) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.0235 X(o=-0.023,f=-0.023) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HE2:sc= -0.287 K(o=-0.29,f=-1.7!) USER MOD Single : A 36 LYS NZ :NH3+ -163:sc= -0.0363 (180deg=-0.493) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 159:sc= -0.0561 (180deg=-0.544) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0.604 K(o=0.6,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 5 -13.094 -9.628 -11.554 1.00 0.00 N ATOM 2 CA ILE A 5 -12.110 -9.160 -12.583 1.00 0.00 C ATOM 3 C ILE A 5 -10.942 -8.430 -11.844 1.00 0.00 C ATOM 4 O ILE A 5 -10.348 -7.486 -12.362 1.00 0.00 O ATOM 5 CB ILE A 5 -12.856 -8.173 -13.641 1.00 0.00 C ATOM 6 CG1 ILE A 5 -14.101 -8.952 -14.325 1.00 0.00 C ATOM 7 CG2 ILE A 5 -11.829 -7.674 -14.799 1.00 0.00 C ATOM 8 CD1 ILE A 5 -15.089 -7.957 -15.017 1.00 0.00 C ATOM 0 HA ILE A 5 -11.704 -10.001 -13.146 1.00 0.00 H new ATOM 0 HB ILE A 5 -13.216 -7.299 -13.098 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -13.726 -9.664 -15.060 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -14.633 -9.526 -13.567 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -12.354 -7.016 -15.492 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -11.000 -7.133 -14.342 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -11.444 -8.538 -15.340 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -15.912 -8.514 -15.465 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -15.483 -7.261 -14.276 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -14.562 -7.401 -15.793 1.00 0.00 H new ATOM 20 N MET A 6 -10.605 -8.915 -10.602 1.00 0.00 N ATOM 21 CA MET A 6 -9.498 -8.314 -9.762 1.00 0.00 C ATOM 22 C MET A 6 -9.603 -6.748 -9.774 1.00 0.00 C ATOM 23 O MET A 6 -8.602 -6.036 -9.644 1.00 0.00 O ATOM 24 CB MET A 6 -8.100 -8.794 -10.344 1.00 0.00 C ATOM 25 CG MET A 6 -7.927 -10.358 -10.167 1.00 0.00 C ATOM 26 SD MET A 6 -6.305 -10.885 -10.827 1.00 0.00 S ATOM 27 CE MET A 6 -6.530 -12.679 -10.666 1.00 0.00 C ATOM 0 H MET A 6 -11.073 -9.707 -10.163 1.00 0.00 H new ATOM 0 HA MET A 6 -9.589 -8.646 -8.728 1.00 0.00 H new ATOM 0 HB2 MET A 6 -8.031 -8.533 -11.400 1.00 0.00 H new ATOM 0 HB3 MET A 6 -7.290 -8.273 -9.833 1.00 0.00 H new ATOM 0 HG2 MET A 6 -8.004 -10.624 -9.113 1.00 0.00 H new ATOM 0 HG3 MET A 6 -8.729 -10.882 -10.687 1.00 0.00 H new ATOM 0 HE1 MET A 6 -5.636 -13.191 -11.022 1.00 0.00 H new ATOM 0 HE2 MET A 6 -6.701 -12.932 -9.620 1.00 0.00 H new ATOM 0 HE3 MET A 6 -7.388 -12.993 -11.260 1.00 0.00 H new ATOM 37 N GLN A 7 -10.855 -6.237 -10.000 1.00 0.00 N ATOM 38 CA GLN A 7 -11.124 -4.778 -10.111 1.00 0.00 C ATOM 39 C GLN A 7 -10.717 -4.054 -8.808 1.00 0.00 C ATOM 40 O GLN A 7 -10.129 -2.971 -8.844 1.00 0.00 O ATOM 41 CB GLN A 7 -12.673 -4.545 -10.423 1.00 0.00 C ATOM 42 CG GLN A 7 -12.985 -2.994 -10.683 1.00 0.00 C ATOM 43 CD GLN A 7 -14.487 -2.731 -10.953 1.00 0.00 C ATOM 44 OE1 GLN A 7 -15.248 -3.639 -11.296 1.00 0.00 O ATOM 45 NE2 GLN A 7 -14.952 -1.515 -10.805 1.00 0.00 N ATOM 0 H GLN A 7 -11.686 -6.818 -10.107 1.00 0.00 H new ATOM 0 HA GLN A 7 -10.531 -4.365 -10.927 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -12.962 -5.128 -11.297 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -13.273 -4.904 -9.587 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -12.667 -2.412 -9.818 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -12.399 -2.646 -11.534 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -14.327 -0.761 -10.521 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -15.939 -1.323 -10.973 1.00 0.00 H new ATOM 54 N ALA A 8 -11.043 -4.681 -7.656 1.00 0.00 N ATOM 55 CA ALA A 8 -10.718 -4.111 -6.324 1.00 0.00 C ATOM 56 C ALA A 8 -9.184 -3.974 -6.164 1.00 0.00 C ATOM 57 O ALA A 8 -8.686 -2.963 -5.632 1.00 0.00 O ATOM 58 CB ALA A 8 -11.284 -5.057 -5.210 1.00 0.00 C ATOM 0 H ALA A 8 -11.528 -5.577 -7.619 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.169 -3.123 -6.233 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -11.049 -4.645 -4.229 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.365 -5.141 -5.319 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.832 -6.044 -5.307 1.00 0.00 H new ATOM 64 N LYS A 9 -8.446 -5.025 -6.616 1.00 0.00 N ATOM 65 CA LYS A 9 -6.961 -5.066 -6.523 1.00 0.00 C ATOM 66 C LYS A 9 -6.308 -3.964 -7.410 1.00 0.00 C ATOM 67 O LYS A 9 -5.382 -3.261 -6.980 1.00 0.00 O ATOM 68 CB LYS A 9 -6.435 -6.505 -6.940 1.00 0.00 C ATOM 69 CG LYS A 9 -4.954 -6.748 -6.417 1.00 0.00 C ATOM 70 CD LYS A 9 -4.449 -8.231 -6.744 1.00 0.00 C ATOM 71 CE LYS A 9 -2.996 -8.448 -6.175 1.00 0.00 C ATOM 72 NZ LYS A 9 -3.028 -8.241 -4.695 1.00 0.00 N ATOM 0 H LYS A 9 -8.856 -5.853 -7.048 1.00 0.00 H new ATOM 0 HA LYS A 9 -6.675 -4.868 -5.490 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.097 -7.269 -6.533 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.461 -6.605 -8.025 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.282 -6.024 -6.878 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.915 -6.579 -5.341 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.131 -8.960 -6.307 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.454 -8.396 -7.821 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.644 -9.453 -6.409 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.300 -7.750 -6.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.198 -8.695 -4.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.013 -7.222 -4.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.895 -8.661 -4.304 1.00 0.00 H new ATOM 86 N GLU A 10 -6.821 -3.831 -8.655 1.00 0.00 N ATOM 87 CA GLU A 10 -6.320 -2.809 -9.634 1.00 0.00 C ATOM 88 C GLU A 10 -6.644 -1.391 -9.109 1.00 0.00 C ATOM 89 O GLU A 10 -5.818 -0.492 -9.167 1.00 0.00 O ATOM 90 CB GLU A 10 -7.018 -3.055 -11.042 1.00 0.00 C ATOM 91 CG GLU A 10 -6.495 -4.395 -11.743 1.00 0.00 C ATOM 92 CD GLU A 10 -4.999 -4.266 -12.137 1.00 0.00 C ATOM 93 OE1 GLU A 10 -4.676 -3.323 -12.837 1.00 0.00 O ATOM 94 OE2 GLU A 10 -4.211 -5.116 -11.734 1.00 0.00 O ATOM 0 H GLU A 10 -7.579 -4.411 -9.015 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.240 -2.899 -9.751 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.098 -3.114 -10.906 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.825 -2.205 -11.696 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.625 -5.239 -11.066 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.092 -4.603 -12.631 1.00 0.00 H new ATOM 101 N ASP A 11 -7.860 -1.226 -8.544 1.00 0.00 N ATOM 102 CA ASP A 11 -8.309 0.082 -7.966 1.00 0.00 C ATOM 103 C ASP A 11 -7.372 0.465 -6.793 1.00 0.00 C ATOM 104 O ASP A 11 -7.005 1.647 -6.629 1.00 0.00 O ATOM 105 CB ASP A 11 -9.793 -0.034 -7.444 1.00 0.00 C ATOM 106 CG ASP A 11 -10.812 -0.173 -8.606 1.00 0.00 C ATOM 107 OD1 ASP A 11 -10.429 -0.042 -9.763 1.00 0.00 O ATOM 108 OD2 ASP A 11 -11.972 -0.402 -8.304 1.00 0.00 O ATOM 0 H ASP A 11 -8.553 -1.971 -8.471 1.00 0.00 H new ATOM 0 HA ASP A 11 -8.269 0.850 -8.738 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -9.878 -0.897 -6.783 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -10.038 0.847 -6.851 1.00 0.00 H new ATOM 113 N PHE A 12 -6.971 -0.554 -5.983 1.00 0.00 N ATOM 114 CA PHE A 12 -6.057 -0.325 -4.835 1.00 0.00 C ATOM 115 C PHE A 12 -4.657 0.193 -5.321 1.00 0.00 C ATOM 116 O PHE A 12 -4.153 1.185 -4.803 1.00 0.00 O ATOM 117 CB PHE A 12 -5.891 -1.657 -3.997 1.00 0.00 C ATOM 118 CG PHE A 12 -5.110 -1.347 -2.653 1.00 0.00 C ATOM 119 CD1 PHE A 12 -5.784 -0.657 -1.608 1.00 0.00 C ATOM 120 CD2 PHE A 12 -3.749 -1.725 -2.471 1.00 0.00 C ATOM 121 CE1 PHE A 12 -5.118 -0.348 -0.421 1.00 0.00 C ATOM 122 CE2 PHE A 12 -3.090 -1.405 -1.271 1.00 0.00 C ATOM 123 CZ PHE A 12 -3.774 -0.721 -0.248 1.00 0.00 C ATOM 0 H PHE A 12 -7.262 -1.524 -6.103 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.496 0.442 -4.198 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -6.870 -2.081 -3.771 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.349 -2.401 -4.581 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.818 -0.370 -1.734 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.225 -2.256 -3.252 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.637 0.179 0.366 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.056 -1.685 -1.134 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.264 -0.482 0.673 1.00 0.00 H new ATOM 133 N LYS A 13 -4.058 -0.489 -6.333 1.00 0.00 N ATOM 134 CA LYS A 13 -2.713 -0.098 -6.901 1.00 0.00 C ATOM 135 C LYS A 13 -2.749 1.293 -7.523 1.00 0.00 C ATOM 136 O LYS A 13 -1.818 2.105 -7.352 1.00 0.00 O ATOM 137 CB LYS A 13 -2.306 -1.155 -8.002 1.00 0.00 C ATOM 138 CG LYS A 13 -1.947 -2.547 -7.335 1.00 0.00 C ATOM 139 CD LYS A 13 -1.579 -3.639 -8.442 1.00 0.00 C ATOM 140 CE LYS A 13 -1.100 -4.958 -7.748 1.00 0.00 C ATOM 141 NZ LYS A 13 0.187 -4.675 -7.033 1.00 0.00 N ATOM 0 H LYS A 13 -4.471 -1.308 -6.778 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.984 -0.081 -6.091 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.125 -1.285 -8.709 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -1.451 -0.786 -8.569 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.107 -2.420 -6.652 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.791 -2.897 -6.741 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.448 -3.842 -9.069 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -0.796 -3.257 -9.097 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.854 -5.313 -7.046 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.958 -5.746 -8.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.531 -5.545 -6.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.896 -4.337 -7.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.029 -3.946 -6.309 1.00 0.00 H new ATOM 155 N LYS A 14 -3.839 1.555 -8.261 1.00 0.00 N ATOM 156 CA LYS A 14 -4.040 2.850 -8.948 1.00 0.00 C ATOM 157 C LYS A 14 -4.057 3.977 -7.911 1.00 0.00 C ATOM 158 O LYS A 14 -3.511 5.054 -8.129 1.00 0.00 O ATOM 159 CB LYS A 14 -5.381 2.839 -9.765 1.00 0.00 C ATOM 160 CG LYS A 14 -5.259 1.912 -11.071 1.00 0.00 C ATOM 161 CD LYS A 14 -6.657 1.820 -11.857 1.00 0.00 C ATOM 162 CE LYS A 14 -7.019 3.186 -12.566 1.00 0.00 C ATOM 163 NZ LYS A 14 -8.267 3.006 -13.349 1.00 0.00 N ATOM 0 H LYS A 14 -4.599 0.889 -8.400 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.220 3.015 -9.647 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.192 2.476 -9.133 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.638 3.856 -10.061 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.493 2.314 -11.734 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.937 0.912 -10.781 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.604 1.026 -12.602 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.450 1.551 -11.159 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.150 3.973 -11.823 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.205 3.498 -13.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.514 3.900 -13.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.124 2.266 -14.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.039 2.726 -12.711 1.00 0.00 H new ATOM 177 N MET A 15 -4.688 3.711 -6.757 1.00 0.00 N ATOM 178 CA MET A 15 -4.741 4.708 -5.686 1.00 0.00 C ATOM 179 C MET A 15 -3.298 4.988 -5.144 1.00 0.00 C ATOM 180 O MET A 15 -2.943 6.122 -4.901 1.00 0.00 O ATOM 181 CB MET A 15 -5.673 4.175 -4.509 1.00 0.00 C ATOM 182 CG MET A 15 -6.006 5.325 -3.462 1.00 0.00 C ATOM 183 SD MET A 15 -7.118 6.558 -4.244 1.00 0.00 S ATOM 184 CE MET A 15 -7.307 7.677 -2.855 1.00 0.00 C ATOM 0 H MET A 15 -5.159 2.831 -6.547 1.00 0.00 H new ATOM 0 HA MET A 15 -5.154 5.637 -6.078 1.00 0.00 H new ATOM 0 HB2 MET A 15 -6.600 3.783 -4.927 1.00 0.00 H new ATOM 0 HB3 MET A 15 -5.179 3.349 -3.998 1.00 0.00 H new ATOM 0 HG2 MET A 15 -6.481 4.900 -2.577 1.00 0.00 H new ATOM 0 HG3 MET A 15 -5.087 5.807 -3.130 1.00 0.00 H new ATOM 0 HE1 MET A 15 -8.160 8.333 -3.029 1.00 0.00 H new ATOM 0 HE2 MET A 15 -7.472 7.102 -1.944 1.00 0.00 H new ATOM 0 HE3 MET A 15 -6.404 8.278 -2.746 1.00 0.00 H new ATOM 194 N MET A 16 -2.509 3.895 -4.925 1.00 0.00 N ATOM 195 CA MET A 16 -1.126 4.007 -4.344 1.00 0.00 C ATOM 196 C MET A 16 -0.146 4.794 -5.267 1.00 0.00 C ATOM 197 O MET A 16 0.637 5.626 -4.778 1.00 0.00 O ATOM 198 CB MET A 16 -0.538 2.570 -4.087 1.00 0.00 C ATOM 199 CG MET A 16 -1.421 1.759 -3.066 1.00 0.00 C ATOM 200 SD MET A 16 -0.465 0.342 -2.422 1.00 0.00 S ATOM 201 CE MET A 16 0.221 1.145 -0.928 1.00 0.00 C ATOM 0 H MET A 16 -2.796 2.939 -5.136 1.00 0.00 H new ATOM 0 HA MET A 16 -1.221 4.561 -3.410 1.00 0.00 H new ATOM 0 HB2 MET A 16 -0.478 2.026 -5.030 1.00 0.00 H new ATOM 0 HB3 MET A 16 0.479 2.655 -3.703 1.00 0.00 H new ATOM 0 HG2 MET A 16 -1.731 2.405 -2.245 1.00 0.00 H new ATOM 0 HG3 MET A 16 -2.329 1.406 -3.555 1.00 0.00 H new ATOM 0 HE1 MET A 16 1.116 0.612 -0.607 1.00 0.00 H new ATOM 0 HE2 MET A 16 0.477 2.180 -1.156 1.00 0.00 H new ATOM 0 HE3 MET A 16 -0.521 1.122 -0.130 1.00 0.00 H new ATOM 211 N GLU A 17 -0.198 4.508 -6.594 1.00 0.00 N ATOM 212 CA GLU A 17 0.703 5.176 -7.596 1.00 0.00 C ATOM 213 C GLU A 17 0.315 6.663 -7.717 1.00 0.00 C ATOM 214 O GLU A 17 1.140 7.502 -7.996 1.00 0.00 O ATOM 215 CB GLU A 17 0.651 4.394 -8.997 1.00 0.00 C ATOM 216 CG GLU A 17 -0.644 4.746 -9.824 1.00 0.00 C ATOM 217 CD GLU A 17 -0.818 3.854 -11.084 1.00 0.00 C ATOM 218 OE1 GLU A 17 0.080 3.100 -11.412 1.00 0.00 O ATOM 219 OE2 GLU A 17 -1.877 3.959 -11.697 1.00 0.00 O ATOM 0 H GLU A 17 -0.842 3.830 -7.000 1.00 0.00 H new ATOM 0 HA GLU A 17 1.740 5.137 -7.261 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.535 4.644 -9.584 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.683 3.320 -8.814 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.519 4.636 -9.183 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.601 5.792 -10.128 1.00 0.00 H new ATOM 226 N GLU A 18 -1.020 6.953 -7.541 1.00 0.00 N ATOM 227 CA GLU A 18 -1.582 8.352 -7.639 1.00 0.00 C ATOM 228 C GLU A 18 -1.531 9.072 -6.263 1.00 0.00 C ATOM 229 O GLU A 18 -1.631 10.307 -6.205 1.00 0.00 O ATOM 230 CB GLU A 18 -3.107 8.292 -8.116 1.00 0.00 C ATOM 231 CG GLU A 18 -3.241 7.815 -9.631 1.00 0.00 C ATOM 232 CD GLU A 18 -4.734 7.702 -10.075 1.00 0.00 C ATOM 233 OE1 GLU A 18 -5.620 7.992 -9.279 1.00 0.00 O ATOM 234 OE2 GLU A 18 -4.950 7.332 -11.220 1.00 0.00 O ATOM 0 H GLU A 18 -1.722 6.243 -7.332 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.977 8.904 -8.358 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.662 7.611 -7.471 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.561 9.277 -8.005 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.721 8.519 -10.281 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.752 6.848 -9.752 1.00 0.00 H new ATOM 241 N ALA A 19 -1.405 8.287 -5.150 1.00 0.00 N ATOM 242 CA ALA A 19 -1.371 8.862 -3.753 1.00 0.00 C ATOM 243 C ALA A 19 0.075 9.105 -3.312 1.00 0.00 C ATOM 244 O ALA A 19 0.311 9.266 -2.124 1.00 0.00 O ATOM 245 CB ALA A 19 -2.083 7.847 -2.757 1.00 0.00 C ATOM 0 H ALA A 19 -1.326 7.271 -5.183 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.897 9.816 -3.742 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.063 8.255 -1.746 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.117 7.698 -3.067 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.558 6.892 -2.774 1.00 0.00 H new ATOM 251 N LYS A 20 1.079 8.987 -4.304 1.00 0.00 N ATOM 252 CA LYS A 20 2.557 9.068 -3.982 1.00 0.00 C ATOM 253 C LYS A 20 2.746 9.895 -2.722 1.00 0.00 C ATOM 254 O LYS A 20 2.298 11.041 -2.641 1.00 0.00 O ATOM 255 CB LYS A 20 3.392 9.718 -5.155 1.00 0.00 C ATOM 256 CG LYS A 20 3.215 8.900 -6.502 1.00 0.00 C ATOM 257 CD LYS A 20 4.222 9.399 -7.648 1.00 0.00 C ATOM 258 CE LYS A 20 3.936 10.893 -8.086 1.00 0.00 C ATOM 259 NZ LYS A 20 4.781 11.230 -9.266 1.00 0.00 N ATOM 0 H LYS A 20 0.878 8.841 -5.293 1.00 0.00 H new ATOM 0 HA LYS A 20 2.921 8.050 -3.840 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.071 10.749 -5.307 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.446 9.750 -4.881 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.384 7.841 -6.307 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.188 8.999 -6.854 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.248 9.318 -7.289 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.135 8.745 -8.516 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.881 11.016 -8.332 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.153 11.573 -7.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.596 12.211 -9.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.785 11.127 -9.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.553 10.587 -10.051 1.00 0.00 H new ATOM 273 N PHE A 21 3.330 9.254 -1.712 1.00 0.00 N ATOM 274 CA PHE A 21 3.530 9.830 -0.377 1.00 0.00 C ATOM 275 C PHE A 21 4.953 9.547 0.059 1.00 0.00 C ATOM 276 O PHE A 21 5.687 8.813 -0.636 1.00 0.00 O ATOM 277 CB PHE A 21 2.464 9.166 0.592 1.00 0.00 C ATOM 278 CG PHE A 21 2.665 7.583 0.636 1.00 0.00 C ATOM 279 CD1 PHE A 21 2.098 6.749 -0.372 1.00 0.00 C ATOM 280 CD2 PHE A 21 3.418 6.985 1.676 1.00 0.00 C ATOM 281 CE1 PHE A 21 2.288 5.356 -0.328 1.00 0.00 C ATOM 282 CE2 PHE A 21 3.602 5.590 1.714 1.00 0.00 C ATOM 283 CZ PHE A 21 3.038 4.775 0.709 1.00 0.00 C ATOM 0 H PHE A 21 3.685 8.302 -1.796 1.00 0.00 H new ATOM 0 HA PHE A 21 3.388 10.911 -0.365 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.566 9.580 1.595 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.456 9.402 0.251 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.521 7.188 -1.172 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.854 7.604 2.446 1.00 0.00 H new ATOM 0 HE1 PHE A 21 1.856 4.730 -1.095 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.175 5.143 2.513 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.183 3.705 0.737 1.00 0.00 H new ATOM 293 N ASN A 22 5.360 10.134 1.192 1.00 0.00 N ATOM 294 CA ASN A 22 6.723 9.959 1.734 1.00 0.00 C ATOM 295 C ASN A 22 7.136 8.408 1.731 1.00 0.00 C ATOM 296 O ASN A 22 6.417 7.598 2.329 1.00 0.00 O ATOM 297 CB ASN A 22 6.735 10.551 3.185 1.00 0.00 C ATOM 298 CG ASN A 22 6.528 12.083 3.126 1.00 0.00 C ATOM 299 OD1 ASN A 22 5.516 12.610 3.593 1.00 0.00 O ATOM 300 ND2 ASN A 22 7.436 12.813 2.542 1.00 0.00 N ATOM 0 H ASN A 22 4.764 10.739 1.757 1.00 0.00 H new ATOM 0 HA ASN A 22 7.453 10.481 1.116 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.948 10.091 3.782 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.682 10.321 3.674 1.00 0.00 H new ATOM 0 HD21 ASN A 22 7.310 13.823 2.471 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.272 12.375 2.156 1.00 0.00 H new ATOM 307 N PRO A 23 8.246 7.983 1.030 1.00 0.00 N ATOM 308 CA PRO A 23 8.649 6.509 0.949 1.00 0.00 C ATOM 309 C PRO A 23 9.128 5.962 2.302 1.00 0.00 C ATOM 310 O PRO A 23 9.212 4.740 2.481 1.00 0.00 O ATOM 311 CB PRO A 23 9.790 6.497 -0.150 1.00 0.00 C ATOM 312 CG PRO A 23 10.405 7.882 -0.080 1.00 0.00 C ATOM 313 CD PRO A 23 9.238 8.846 0.271 1.00 0.00 C ATOM 0 HA PRO A 23 7.814 5.858 0.688 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.530 5.724 0.056 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.384 6.293 -1.141 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.188 7.924 0.677 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.865 8.154 -1.030 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.583 9.682 0.879 1.00 0.00 H new ATOM 0 HD3 PRO A 23 8.789 9.269 -0.628 1.00 0.00 H new ATOM 321 N ARG A 24 9.470 6.888 3.247 1.00 0.00 N ATOM 322 CA ARG A 24 9.982 6.505 4.612 1.00 0.00 C ATOM 323 C ARG A 24 8.827 6.342 5.607 1.00 0.00 C ATOM 324 O ARG A 24 9.045 5.885 6.744 1.00 0.00 O ATOM 325 CB ARG A 24 10.998 7.593 5.105 1.00 0.00 C ATOM 326 CG ARG A 24 12.257 7.656 4.131 1.00 0.00 C ATOM 327 CD ARG A 24 13.252 8.783 4.583 1.00 0.00 C ATOM 328 NE ARG A 24 12.594 10.117 4.420 1.00 0.00 N ATOM 329 CZ ARG A 24 13.197 11.286 4.772 1.00 0.00 C ATOM 330 NH1 ARG A 24 14.404 11.280 5.294 1.00 0.00 N ATOM 331 NH2 ARG A 24 12.575 12.412 4.601 1.00 0.00 N ATOM 0 H ARG A 24 9.404 7.895 3.097 1.00 0.00 H new ATOM 0 HA ARG A 24 10.491 5.543 4.546 1.00 0.00 H new ATOM 0 HB2 ARG A 24 10.509 8.567 5.142 1.00 0.00 H new ATOM 0 HB3 ARG A 24 11.325 7.362 6.119 1.00 0.00 H new ATOM 0 HG2 ARG A 24 12.768 6.693 4.126 1.00 0.00 H new ATOM 0 HG3 ARG A 24 11.924 7.845 3.110 1.00 0.00 H new ATOM 0 HD2 ARG A 24 13.542 8.632 5.623 1.00 0.00 H new ATOM 0 HD3 ARG A 24 14.164 8.739 3.988 1.00 0.00 H new ATOM 0 HE ARG A 24 11.653 10.152 4.028 1.00 0.00 H new ATOM 0 HH11 ARG A 24 14.893 10.397 5.437 1.00 0.00 H new ATOM 0 HH12 ARG A 24 14.851 12.159 5.556 1.00 0.00 H new ATOM 0 HH21 ARG A 24 11.636 12.421 4.203 1.00 0.00 H new ATOM 0 HH22 ARG A 24 13.025 13.289 4.864 1.00 0.00 H new ATOM 345 N ALA A 25 7.585 6.661 5.177 1.00 0.00 N ATOM 346 CA ALA A 25 6.394 6.493 6.036 1.00 0.00 C ATOM 347 C ALA A 25 6.132 4.986 6.163 1.00 0.00 C ATOM 348 O ALA A 25 6.490 4.217 5.265 1.00 0.00 O ATOM 349 CB ALA A 25 5.156 7.209 5.423 1.00 0.00 C ATOM 0 H ALA A 25 7.384 7.033 4.249 1.00 0.00 H new ATOM 0 HA ALA A 25 6.570 6.940 7.014 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.294 7.069 6.076 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.365 8.274 5.321 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.940 6.786 4.442 1.00 0.00 H new ATOM 355 N THR A 26 5.529 4.594 7.285 1.00 0.00 N ATOM 356 CA THR A 26 5.206 3.184 7.584 1.00 0.00 C ATOM 357 C THR A 26 3.756 2.916 7.195 1.00 0.00 C ATOM 358 O THR A 26 2.992 3.862 6.932 1.00 0.00 O ATOM 359 CB THR A 26 5.419 2.926 9.122 1.00 0.00 C ATOM 360 OG1 THR A 26 4.489 3.713 9.859 1.00 0.00 O ATOM 361 CG2 THR A 26 6.875 3.319 9.578 1.00 0.00 C ATOM 0 H THR A 26 5.246 5.242 8.020 1.00 0.00 H new ATOM 0 HA THR A 26 5.855 2.515 7.019 1.00 0.00 H new ATOM 0 HB THR A 26 5.270 1.863 9.309 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.615 3.556 10.818 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.986 3.128 10.645 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.602 2.725 9.025 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.045 4.377 9.380 1.00 0.00 H new ATOM 369 N PHE A 27 3.377 1.636 7.195 1.00 0.00 N ATOM 370 CA PHE A 27 1.998 1.190 6.881 1.00 0.00 C ATOM 371 C PHE A 27 0.979 1.820 7.875 1.00 0.00 C ATOM 372 O PHE A 27 -0.109 2.256 7.474 1.00 0.00 O ATOM 373 CB PHE A 27 1.925 -0.372 6.934 1.00 0.00 C ATOM 374 CG PHE A 27 0.430 -0.824 6.762 1.00 0.00 C ATOM 375 CD1 PHE A 27 -0.204 -0.671 5.510 1.00 0.00 C ATOM 376 CD2 PHE A 27 -0.317 -1.316 7.870 1.00 0.00 C ATOM 377 CE1 PHE A 27 -1.538 -1.012 5.357 1.00 0.00 C ATOM 378 CE2 PHE A 27 -1.654 -1.662 7.706 1.00 0.00 C ATOM 379 CZ PHE A 27 -2.269 -1.512 6.455 1.00 0.00 C ATOM 0 H PHE A 27 4.013 0.869 7.412 1.00 0.00 H new ATOM 0 HA PHE A 27 1.738 1.523 5.876 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.541 -0.804 6.146 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.321 -0.735 7.883 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.353 -0.287 4.668 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.154 -1.420 8.836 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.018 -0.895 4.397 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.219 -2.046 8.543 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.308 -1.781 6.331 1.00 0.00 H new ATOM 389 N SER A 28 1.324 1.818 9.171 1.00 0.00 N ATOM 390 CA SER A 28 0.439 2.364 10.241 1.00 0.00 C ATOM 391 C SER A 28 0.099 3.860 9.977 1.00 0.00 C ATOM 392 O SER A 28 -1.057 4.272 10.107 1.00 0.00 O ATOM 393 CB SER A 28 1.152 2.218 11.610 1.00 0.00 C ATOM 394 OG SER A 28 0.298 2.691 12.640 1.00 0.00 O ATOM 0 H SER A 28 2.209 1.446 9.516 1.00 0.00 H new ATOM 0 HA SER A 28 -0.496 1.803 10.245 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.411 1.174 11.788 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.085 2.782 11.608 1.00 0.00 H new ATOM 0 HG SER A 28 0.747 2.598 13.506 1.00 0.00 H new ATOM 400 N GLU A 29 1.121 4.647 9.576 1.00 0.00 N ATOM 401 CA GLU A 29 0.934 6.101 9.252 1.00 0.00 C ATOM 402 C GLU A 29 0.112 6.294 7.947 1.00 0.00 C ATOM 403 O GLU A 29 -0.827 7.116 7.904 1.00 0.00 O ATOM 404 CB GLU A 29 2.367 6.775 9.095 1.00 0.00 C ATOM 405 CG GLU A 29 3.163 6.789 10.477 1.00 0.00 C ATOM 406 CD GLU A 29 2.451 7.686 11.525 1.00 0.00 C ATOM 407 OE1 GLU A 29 2.199 8.833 11.212 1.00 0.00 O ATOM 408 OE2 GLU A 29 2.153 7.194 12.610 1.00 0.00 O ATOM 0 H GLU A 29 2.079 4.316 9.466 1.00 0.00 H new ATOM 0 HA GLU A 29 0.378 6.573 10.062 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.945 6.232 8.347 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.252 7.796 8.730 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.247 5.773 10.862 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.177 7.153 10.312 1.00 0.00 H new ATOM 415 N PHE A 30 0.463 5.511 6.892 1.00 0.00 N ATOM 416 CA PHE A 30 -0.245 5.570 5.585 1.00 0.00 C ATOM 417 C PHE A 30 -1.727 5.095 5.726 1.00 0.00 C ATOM 418 O PHE A 30 -2.660 5.723 5.190 1.00 0.00 O ATOM 419 CB PHE A 30 0.520 4.669 4.557 1.00 0.00 C ATOM 420 CG PHE A 30 -0.220 4.736 3.165 1.00 0.00 C ATOM 421 CD1 PHE A 30 -0.061 5.881 2.347 1.00 0.00 C ATOM 422 CD2 PHE A 30 -1.103 3.696 2.748 1.00 0.00 C ATOM 423 CE1 PHE A 30 -0.763 5.988 1.139 1.00 0.00 C ATOM 424 CE2 PHE A 30 -1.807 3.819 1.544 1.00 0.00 C ATOM 425 CZ PHE A 30 -1.634 4.961 0.736 1.00 0.00 C ATOM 0 H PHE A 30 1.227 4.836 6.921 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.263 6.602 5.234 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.550 5.009 4.452 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.558 3.640 4.914 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.604 6.675 2.655 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.228 2.815 3.360 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.635 6.861 0.516 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.484 3.037 1.234 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.173 5.047 -0.196 1.00 0.00 H new ATOM 435 N ALA A 31 -1.911 3.961 6.441 1.00 0.00 N ATOM 436 CA ALA A 31 -3.249 3.349 6.664 1.00 0.00 C ATOM 437 C ALA A 31 -4.119 4.267 7.531 1.00 0.00 C ATOM 438 O ALA A 31 -5.295 4.416 7.266 1.00 0.00 O ATOM 439 CB ALA A 31 -3.076 1.958 7.337 1.00 0.00 C ATOM 0 H ALA A 31 -1.146 3.446 6.877 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.750 3.219 5.705 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.055 1.509 7.501 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.484 1.311 6.689 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.567 2.077 8.293 1.00 0.00 H new ATOM 445 N ALA A 32 -3.507 4.892 8.557 1.00 0.00 N ATOM 446 CA ALA A 32 -4.233 5.823 9.474 1.00 0.00 C ATOM 447 C ALA A 32 -4.862 6.983 8.651 1.00 0.00 C ATOM 448 O ALA A 32 -5.989 7.431 8.945 1.00 0.00 O ATOM 449 CB ALA A 32 -3.229 6.403 10.537 1.00 0.00 C ATOM 0 H ALA A 32 -2.518 4.777 8.779 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.026 5.281 9.989 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.759 7.082 11.205 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.800 5.585 11.116 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.432 6.944 10.027 1.00 0.00 H new ATOM 455 N LYS A 33 -4.137 7.441 7.600 1.00 0.00 N ATOM 456 CA LYS A 33 -4.635 8.530 6.703 1.00 0.00 C ATOM 457 C LYS A 33 -5.767 8.036 5.753 1.00 0.00 C ATOM 458 O LYS A 33 -6.763 8.742 5.540 1.00 0.00 O ATOM 459 CB LYS A 33 -3.421 9.120 5.883 1.00 0.00 C ATOM 460 CG LYS A 33 -3.865 10.379 4.977 1.00 0.00 C ATOM 461 CD LYS A 33 -2.606 11.066 4.275 1.00 0.00 C ATOM 462 CE LYS A 33 -1.786 11.963 5.288 1.00 0.00 C ATOM 463 NZ LYS A 33 -0.588 12.505 4.591 1.00 0.00 N ATOM 0 H LYS A 33 -3.216 7.082 7.349 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.073 9.314 7.321 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.633 9.427 6.571 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.002 8.343 5.244 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.573 10.050 4.216 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.382 11.111 5.597 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.955 10.296 3.862 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.945 11.678 3.439 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.408 12.778 5.658 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.484 11.374 6.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.042 13.097 5.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.005 11.718 4.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.890 13.079 3.778 1.00 0.00 H new ATOM 477 N HIS A 34 -5.576 6.826 5.158 1.00 0.00 N ATOM 478 CA HIS A 34 -6.558 6.241 4.182 1.00 0.00 C ATOM 479 C HIS A 34 -7.532 5.288 4.897 1.00 0.00 C ATOM 480 O HIS A 34 -8.353 4.668 4.250 1.00 0.00 O ATOM 481 CB HIS A 34 -5.759 5.483 3.048 1.00 0.00 C ATOM 482 CG HIS A 34 -4.961 6.496 2.227 1.00 0.00 C ATOM 483 ND1 HIS A 34 -3.715 6.952 2.635 1.00 0.00 N ATOM 484 CD2 HIS A 34 -5.238 7.173 1.059 1.00 0.00 C ATOM 485 CE1 HIS A 34 -3.295 7.864 1.733 1.00 0.00 C ATOM 486 NE2 HIS A 34 -4.186 8.033 0.752 1.00 0.00 N ATOM 0 H HIS A 34 -4.762 6.237 5.330 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.150 7.040 3.735 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -5.088 4.747 3.490 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.449 4.938 2.403 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -3.208 6.652 3.467 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -6.136 7.055 0.470 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -2.355 8.392 1.796 1.00 0.00 H new ATOM 494 N ALA A 35 -7.391 5.151 6.239 1.00 0.00 N ATOM 495 CA ALA A 35 -8.237 4.221 7.055 1.00 0.00 C ATOM 496 C ALA A 35 -9.734 4.474 6.772 1.00 0.00 C ATOM 497 O ALA A 35 -10.540 3.529 6.750 1.00 0.00 O ATOM 498 CB ALA A 35 -7.953 4.434 8.599 1.00 0.00 C ATOM 0 H ALA A 35 -6.703 5.668 6.786 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.985 3.197 6.780 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -8.574 3.752 9.181 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.902 4.234 8.807 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.188 5.462 8.874 1.00 0.00 H new ATOM 504 N LYS A 36 -10.092 5.767 6.571 1.00 0.00 N ATOM 505 CA LYS A 36 -11.497 6.176 6.304 1.00 0.00 C ATOM 506 C LYS A 36 -11.848 5.955 4.825 1.00 0.00 C ATOM 507 O LYS A 36 -13.027 6.015 4.458 1.00 0.00 O ATOM 508 CB LYS A 36 -11.665 7.693 6.680 1.00 0.00 C ATOM 509 CG LYS A 36 -11.402 7.922 8.227 1.00 0.00 C ATOM 510 CD LYS A 36 -11.539 9.473 8.606 1.00 0.00 C ATOM 511 CE LYS A 36 -11.256 9.685 10.137 1.00 0.00 C ATOM 512 NZ LYS A 36 -12.223 8.863 10.920 1.00 0.00 N ATOM 0 H LYS A 36 -9.430 6.543 6.588 1.00 0.00 H new ATOM 0 HA LYS A 36 -12.173 5.570 6.908 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.971 8.296 6.095 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.671 8.027 6.424 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.112 7.337 8.811 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.405 7.566 8.487 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.839 10.063 8.014 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.540 9.828 8.361 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.233 9.395 10.376 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.358 10.738 10.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.248 9.200 11.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -13.171 8.948 10.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.925 7.867 10.903 1.00 0.00 H new ATOM 526 N ASP A 37 -10.823 5.688 3.964 1.00 0.00 N ATOM 527 CA ASP A 37 -11.060 5.460 2.515 1.00 0.00 C ATOM 528 C ASP A 37 -11.878 4.147 2.344 1.00 0.00 C ATOM 529 O ASP A 37 -11.645 3.178 3.062 1.00 0.00 O ATOM 530 CB ASP A 37 -9.691 5.378 1.736 1.00 0.00 C ATOM 531 CG ASP A 37 -9.925 5.544 0.221 1.00 0.00 C ATOM 532 OD1 ASP A 37 -10.647 4.738 -0.331 1.00 0.00 O ATOM 533 OD2 ASP A 37 -9.400 6.480 -0.346 1.00 0.00 O ATOM 0 H ASP A 37 -9.844 5.627 4.245 1.00 0.00 H new ATOM 0 HA ASP A 37 -11.624 6.294 2.098 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.015 6.154 2.093 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.209 4.420 1.933 1.00 0.00 H new ATOM 538 N SER A 38 -12.838 4.159 1.408 1.00 0.00 N ATOM 539 CA SER A 38 -13.719 2.992 1.133 1.00 0.00 C ATOM 540 C SER A 38 -12.906 1.792 0.576 1.00 0.00 C ATOM 541 O SER A 38 -13.229 0.625 0.820 1.00 0.00 O ATOM 542 CB SER A 38 -14.846 3.423 0.153 1.00 0.00 C ATOM 543 OG SER A 38 -15.746 4.304 0.827 1.00 0.00 O ATOM 0 H SER A 38 -13.033 4.968 0.818 1.00 0.00 H new ATOM 0 HA SER A 38 -14.172 2.657 2.066 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.417 3.919 -0.717 1.00 0.00 H new ATOM 0 HB3 SER A 38 -15.382 2.546 -0.212 1.00 0.00 H new ATOM 0 HG SER A 38 -16.457 4.579 0.211 1.00 0.00 H new ATOM 549 N ARG A 39 -11.860 2.114 -0.191 1.00 0.00 N ATOM 550 CA ARG A 39 -10.967 1.103 -0.830 1.00 0.00 C ATOM 551 C ARG A 39 -10.107 0.382 0.224 1.00 0.00 C ATOM 552 O ARG A 39 -9.624 -0.733 -0.016 1.00 0.00 O ATOM 553 CB ARG A 39 -10.022 1.823 -1.863 1.00 0.00 C ATOM 554 CG ARG A 39 -10.859 2.395 -3.094 1.00 0.00 C ATOM 555 CD ARG A 39 -9.920 3.125 -4.114 1.00 0.00 C ATOM 556 NE ARG A 39 -10.732 3.645 -5.238 1.00 0.00 N ATOM 557 CZ ARG A 39 -10.195 4.370 -6.251 1.00 0.00 C ATOM 558 NH1 ARG A 39 -8.916 4.658 -6.240 1.00 0.00 N ATOM 559 NH2 ARG A 39 -10.944 4.780 -7.222 1.00 0.00 N ATOM 0 H ARG A 39 -11.596 3.078 -0.395 1.00 0.00 H new ATOM 0 HA ARG A 39 -11.588 0.364 -1.336 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -9.490 2.637 -1.370 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.269 1.122 -2.224 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.382 1.580 -3.594 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -11.619 3.088 -2.732 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.394 3.943 -3.621 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -9.162 2.436 -4.486 1.00 0.00 H new ATOM 0 HE ARG A 39 -11.733 3.451 -5.251 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.328 4.337 -5.471 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -8.509 5.203 -7.000 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -11.940 4.558 -7.227 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -10.539 5.325 -7.983 1.00 0.00 H new ATOM 573 N PHE A 40 -9.870 1.055 1.373 1.00 0.00 N ATOM 574 CA PHE A 40 -9.024 0.473 2.443 1.00 0.00 C ATOM 575 C PHE A 40 -9.740 -0.740 3.115 1.00 0.00 C ATOM 576 O PHE A 40 -9.161 -1.825 3.250 1.00 0.00 O ATOM 577 CB PHE A 40 -8.695 1.580 3.498 1.00 0.00 C ATOM 578 CG PHE A 40 -7.781 0.975 4.612 1.00 0.00 C ATOM 579 CD1 PHE A 40 -6.404 0.793 4.348 1.00 0.00 C ATOM 580 CD2 PHE A 40 -8.322 0.552 5.858 1.00 0.00 C ATOM 581 CE1 PHE A 40 -5.585 0.209 5.302 1.00 0.00 C ATOM 582 CE2 PHE A 40 -7.488 -0.024 6.813 1.00 0.00 C ATOM 583 CZ PHE A 40 -6.124 -0.203 6.539 1.00 0.00 C ATOM 0 H PHE A 40 -10.243 1.981 1.582 1.00 0.00 H new ATOM 0 HA PHE A 40 -8.094 0.106 2.008 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.194 2.420 3.017 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -9.615 1.966 3.936 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -5.990 1.109 3.402 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -9.375 0.677 6.062 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -4.534 0.069 5.098 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -7.892 -0.333 7.766 1.00 0.00 H new ATOM 0 HZ PHE A 40 -5.483 -0.659 7.279 1.00 0.00 H new ATOM 593 N LYS A 41 -11.013 -0.495 3.551 1.00 0.00 N ATOM 594 CA LYS A 41 -11.854 -1.522 4.251 1.00 0.00 C ATOM 595 C LYS A 41 -12.339 -2.607 3.251 1.00 0.00 C ATOM 596 O LYS A 41 -12.812 -3.670 3.663 1.00 0.00 O ATOM 597 CB LYS A 41 -13.110 -0.815 4.960 1.00 0.00 C ATOM 598 CG LYS A 41 -14.182 -0.317 3.882 1.00 0.00 C ATOM 599 CD LYS A 41 -15.427 0.408 4.558 1.00 0.00 C ATOM 600 CE LYS A 41 -16.540 0.711 3.467 1.00 0.00 C ATOM 601 NZ LYS A 41 -17.026 -0.580 2.891 1.00 0.00 N ATOM 0 H LYS A 41 -11.480 0.404 3.431 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.245 -2.008 5.014 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.582 -1.515 5.649 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -12.766 0.033 5.552 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -13.701 0.368 3.184 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -14.533 -1.170 3.301 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -15.841 -0.222 5.346 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -15.105 1.337 5.028 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -17.369 1.257 3.917 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -16.132 1.344 2.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -17.963 -0.438 2.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -16.359 -0.909 2.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -17.095 -1.293 3.645 1.00 0.00 H new ATOM 615 N ALA A 42 -12.216 -2.318 1.918 1.00 0.00 N ATOM 616 CA ALA A 42 -12.644 -3.252 0.833 1.00 0.00 C ATOM 617 C ALA A 42 -11.810 -4.543 0.909 1.00 0.00 C ATOM 618 O ALA A 42 -12.339 -5.649 0.669 1.00 0.00 O ATOM 619 CB ALA A 42 -12.491 -2.552 -0.562 1.00 0.00 C ATOM 0 H ALA A 42 -11.823 -1.443 1.572 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.694 -3.516 0.962 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -12.804 -3.237 -1.349 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -13.113 -1.658 -0.591 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -11.449 -2.274 -0.717 1.00 0.00 H new ATOM 625 N ILE A 43 -10.527 -4.400 1.289 1.00 0.00 N ATOM 626 CA ILE A 43 -9.635 -5.566 1.454 1.00 0.00 C ATOM 627 C ILE A 43 -9.969 -6.185 2.845 1.00 0.00 C ATOM 628 O ILE A 43 -9.915 -5.513 3.860 1.00 0.00 O ATOM 629 CB ILE A 43 -8.117 -5.101 1.388 1.00 0.00 C ATOM 630 CG1 ILE A 43 -7.812 -4.453 -0.056 1.00 0.00 C ATOM 631 CG2 ILE A 43 -7.142 -6.349 1.629 1.00 0.00 C ATOM 632 CD1 ILE A 43 -6.432 -3.741 -0.092 1.00 0.00 C ATOM 0 H ILE A 43 -10.087 -3.501 1.486 1.00 0.00 H new ATOM 0 HA ILE A 43 -9.782 -6.300 0.662 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.943 -4.359 2.168 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -7.838 -5.233 -0.817 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.596 -3.738 -0.306 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -6.105 -6.015 1.581 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.339 -6.781 2.610 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.317 -7.101 0.860 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.266 -3.318 -1.083 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.415 -2.943 0.650 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.645 -4.461 0.131 1.00 0.00 H new ATOM 644 N GLU A 44 -10.322 -7.483 2.840 1.00 0.00 N ATOM 645 CA GLU A 44 -10.673 -8.240 4.069 1.00 0.00 C ATOM 646 C GLU A 44 -9.376 -8.693 4.787 1.00 0.00 C ATOM 647 O GLU A 44 -9.276 -8.619 6.017 1.00 0.00 O ATOM 648 CB GLU A 44 -11.572 -9.518 3.676 1.00 0.00 C ATOM 649 CG GLU A 44 -11.217 -10.062 2.207 1.00 0.00 C ATOM 650 CD GLU A 44 -11.917 -9.229 1.084 1.00 0.00 C ATOM 651 OE1 GLU A 44 -13.131 -9.270 1.017 1.00 0.00 O ATOM 652 OE2 GLU A 44 -11.213 -8.575 0.316 1.00 0.00 O ATOM 0 H GLU A 44 -10.374 -8.042 1.988 1.00 0.00 H new ATOM 0 HA GLU A 44 -11.244 -7.602 4.743 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.415 -10.312 4.406 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.627 -9.248 3.720 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -10.137 -10.031 2.061 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.520 -11.106 2.125 1.00 0.00 H new ATOM 659 N LYS A 45 -8.403 -9.210 3.976 1.00 0.00 N ATOM 660 CA LYS A 45 -7.113 -9.734 4.494 1.00 0.00 C ATOM 661 C LYS A 45 -6.171 -8.586 4.875 1.00 0.00 C ATOM 662 O LYS A 45 -5.614 -7.910 4.009 1.00 0.00 O ATOM 663 CB LYS A 45 -6.432 -10.637 3.386 1.00 0.00 C ATOM 664 CG LYS A 45 -7.298 -11.942 3.103 1.00 0.00 C ATOM 665 CD LYS A 45 -6.609 -12.840 1.972 1.00 0.00 C ATOM 666 CE LYS A 45 -7.452 -14.128 1.681 1.00 0.00 C ATOM 667 NZ LYS A 45 -6.765 -14.920 0.624 1.00 0.00 N ATOM 0 H LYS A 45 -8.494 -9.272 2.962 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.310 -10.327 5.387 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.318 -10.065 2.465 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.431 -10.923 3.709 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.404 -12.521 4.020 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.302 -11.658 2.788 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.502 -12.258 1.057 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.605 -13.123 2.290 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.559 -14.722 2.588 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.457 -13.857 1.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.315 -15.779 0.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.684 -14.348 -0.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.815 -15.187 0.952 1.00 0.00 H new ATOM 681 N MET A 46 -5.963 -8.406 6.195 1.00 0.00 N ATOM 682 CA MET A 46 -5.059 -7.377 6.722 1.00 0.00 C ATOM 683 C MET A 46 -3.580 -7.684 6.293 1.00 0.00 C ATOM 684 O MET A 46 -2.791 -6.779 6.017 1.00 0.00 O ATOM 685 CB MET A 46 -5.211 -7.326 8.298 1.00 0.00 C ATOM 686 CG MET A 46 -4.328 -6.165 8.937 1.00 0.00 C ATOM 687 SD MET A 46 -4.576 -6.112 10.756 1.00 0.00 S ATOM 688 CE MET A 46 -3.313 -7.325 11.282 1.00 0.00 C ATOM 0 H MET A 46 -6.415 -8.968 6.916 1.00 0.00 H new ATOM 0 HA MET A 46 -5.319 -6.401 6.313 1.00 0.00 H new ATOM 0 HB2 MET A 46 -6.258 -7.172 8.558 1.00 0.00 H new ATOM 0 HB3 MET A 46 -4.915 -8.285 8.724 1.00 0.00 H new ATOM 0 HG2 MET A 46 -3.275 -6.332 8.710 1.00 0.00 H new ATOM 0 HG3 MET A 46 -4.601 -5.206 8.497 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.327 -7.417 12.368 1.00 0.00 H new ATOM 0 HE2 MET A 46 -3.530 -8.294 10.833 1.00 0.00 H new ATOM 0 HE3 MET A 46 -2.328 -6.988 10.959 1.00 0.00 H new ATOM 698 N LYS A 47 -3.237 -8.989 6.270 1.00 0.00 N ATOM 699 CA LYS A 47 -1.871 -9.461 5.904 1.00 0.00 C ATOM 700 C LYS A 47 -1.513 -9.048 4.455 1.00 0.00 C ATOM 701 O LYS A 47 -0.357 -8.686 4.167 1.00 0.00 O ATOM 702 CB LYS A 47 -1.806 -11.033 6.031 1.00 0.00 C ATOM 703 CG LYS A 47 -1.982 -11.487 7.546 1.00 0.00 C ATOM 704 CD LYS A 47 -1.896 -13.077 7.667 1.00 0.00 C ATOM 705 CE LYS A 47 -2.050 -13.538 9.156 1.00 0.00 C ATOM 706 NZ LYS A 47 -1.949 -15.023 9.210 1.00 0.00 N ATOM 0 H LYS A 47 -3.885 -9.742 6.500 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.153 -9.001 6.583 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.587 -11.484 5.419 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.852 -11.394 5.647 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.209 -11.027 8.162 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.942 -11.139 7.927 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.677 -13.534 7.059 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.941 -13.424 7.273 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.275 -13.084 9.774 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.010 -13.210 9.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.050 -15.342 10.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.703 -15.444 8.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.023 -15.322 8.842 1.00 0.00 H new ATOM 720 N ASP A 48 -2.516 -9.093 3.558 1.00 0.00 N ATOM 721 CA ASP A 48 -2.326 -8.717 2.134 1.00 0.00 C ATOM 722 C ASP A 48 -1.973 -7.213 2.036 1.00 0.00 C ATOM 723 O ASP A 48 -1.199 -6.806 1.181 1.00 0.00 O ATOM 724 CB ASP A 48 -3.632 -9.033 1.322 1.00 0.00 C ATOM 725 CG ASP A 48 -3.462 -8.688 -0.184 1.00 0.00 C ATOM 726 OD1 ASP A 48 -2.642 -9.325 -0.821 1.00 0.00 O ATOM 727 OD2 ASP A 48 -4.137 -7.779 -0.659 1.00 0.00 O ATOM 0 H ASP A 48 -3.466 -9.385 3.788 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.506 -9.296 1.710 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.882 -10.089 1.429 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.465 -8.465 1.735 1.00 0.00 H new ATOM 732 N ARG A 49 -2.561 -6.385 2.924 1.00 0.00 N ATOM 733 CA ARG A 49 -2.308 -4.914 2.891 1.00 0.00 C ATOM 734 C ARG A 49 -0.797 -4.652 3.134 1.00 0.00 C ATOM 735 O ARG A 49 -0.181 -3.825 2.442 1.00 0.00 O ATOM 736 CB ARG A 49 -3.124 -4.200 4.016 1.00 0.00 C ATOM 737 CG ARG A 49 -4.688 -4.315 3.763 1.00 0.00 C ATOM 738 CD ARG A 49 -5.481 -3.609 4.920 1.00 0.00 C ATOM 739 NE ARG A 49 -6.924 -3.765 4.689 1.00 0.00 N ATOM 740 CZ ARG A 49 -7.859 -3.388 5.595 1.00 0.00 C ATOM 741 NH1 ARG A 49 -7.501 -2.939 6.771 1.00 0.00 N ATOM 742 NH2 ARG A 49 -9.099 -3.483 5.304 1.00 0.00 N ATOM 0 H ARG A 49 -3.200 -6.691 3.658 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.612 -4.525 1.919 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.877 -4.641 4.982 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.838 -3.149 4.063 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.943 -3.858 2.807 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.977 -5.364 3.702 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.206 -4.043 5.881 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.220 -2.551 4.962 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.235 -4.175 3.808 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -6.512 -2.871 7.011 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.211 -2.657 7.447 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.383 -3.842 4.392 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.805 -3.200 5.983 1.00 0.00 H new ATOM 756 N GLU A 50 -0.215 -5.383 4.133 1.00 0.00 N ATOM 757 CA GLU A 50 1.224 -5.233 4.471 1.00 0.00 C ATOM 758 C GLU A 50 2.093 -5.696 3.265 1.00 0.00 C ATOM 759 O GLU A 50 3.095 -5.057 2.928 1.00 0.00 O ATOM 760 CB GLU A 50 1.578 -6.080 5.772 1.00 0.00 C ATOM 761 CG GLU A 50 3.098 -5.828 6.230 1.00 0.00 C ATOM 762 CD GLU A 50 3.437 -6.625 7.512 1.00 0.00 C ATOM 763 OE1 GLU A 50 2.710 -6.489 8.477 1.00 0.00 O ATOM 764 OE2 GLU A 50 4.427 -7.351 7.499 1.00 0.00 O ATOM 0 H GLU A 50 -0.713 -6.066 4.704 1.00 0.00 H new ATOM 0 HA GLU A 50 1.436 -4.184 4.680 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.901 -5.808 6.582 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.426 -7.141 5.572 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.775 -6.120 5.428 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.255 -4.764 6.408 1.00 0.00 H new ATOM 771 N ALA A 51 1.699 -6.842 2.637 1.00 0.00 N ATOM 772 CA ALA A 51 2.460 -7.412 1.482 1.00 0.00 C ATOM 773 C ALA A 51 2.583 -6.373 0.335 1.00 0.00 C ATOM 774 O ALA A 51 3.688 -6.103 -0.159 1.00 0.00 O ATOM 775 CB ALA A 51 1.725 -8.697 0.960 1.00 0.00 C ATOM 0 H ALA A 51 0.875 -7.381 2.904 1.00 0.00 H new ATOM 0 HA ALA A 51 3.464 -7.671 1.817 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.277 -9.115 0.118 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.670 -9.435 1.760 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.717 -8.434 0.639 1.00 0.00 H new ATOM 781 N LEU A 52 1.435 -5.768 -0.043 1.00 0.00 N ATOM 782 CA LEU A 52 1.390 -4.718 -1.101 1.00 0.00 C ATOM 783 C LEU A 52 2.162 -3.471 -0.692 1.00 0.00 C ATOM 784 O LEU A 52 2.865 -2.868 -1.513 1.00 0.00 O ATOM 785 CB LEU A 52 -0.122 -4.352 -1.441 1.00 0.00 C ATOM 786 CG LEU A 52 -0.770 -5.364 -2.532 1.00 0.00 C ATOM 787 CD1 LEU A 52 -0.125 -5.170 -3.971 1.00 0.00 C ATOM 788 CD2 LEU A 52 -0.636 -6.871 -2.082 1.00 0.00 C ATOM 0 H LEU A 52 0.525 -5.984 0.364 1.00 0.00 H new ATOM 0 HA LEU A 52 1.871 -5.120 -1.993 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.715 -4.379 -0.527 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.170 -3.332 -1.822 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.829 -5.115 -2.593 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.585 -5.865 -4.673 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.293 -4.148 -4.310 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.946 -5.364 -3.919 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.081 -7.517 -2.838 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.418 -7.123 -1.964 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.152 -7.014 -1.133 1.00 0.00 H new ATOM 800 N PHE A 53 2.007 -3.060 0.585 1.00 0.00 N ATOM 801 CA PHE A 53 2.682 -1.850 1.100 1.00 0.00 C ATOM 802 C PHE A 53 4.221 -2.012 0.992 1.00 0.00 C ATOM 803 O PHE A 53 4.925 -1.122 0.504 1.00 0.00 O ATOM 804 CB PHE A 53 2.255 -1.636 2.593 1.00 0.00 C ATOM 805 CG PHE A 53 2.890 -0.298 3.117 1.00 0.00 C ATOM 806 CD1 PHE A 53 2.249 0.939 2.850 1.00 0.00 C ATOM 807 CD2 PHE A 53 4.136 -0.306 3.798 1.00 0.00 C ATOM 808 CE1 PHE A 53 2.834 2.127 3.257 1.00 0.00 C ATOM 809 CE2 PHE A 53 4.707 0.896 4.211 1.00 0.00 C ATOM 810 CZ PHE A 53 4.058 2.114 3.942 1.00 0.00 C ATOM 0 H PHE A 53 1.427 -3.542 1.271 1.00 0.00 H new ATOM 0 HA PHE A 53 2.391 -0.981 0.510 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.169 -1.594 2.672 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.587 -2.475 3.204 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.303 0.955 2.329 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.640 -1.241 3.995 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.346 3.067 3.046 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.649 0.892 4.738 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.504 3.043 4.264 1.00 0.00 H new ATOM 820 N ASN A 54 4.717 -3.170 1.451 1.00 0.00 N ATOM 821 CA ASN A 54 6.181 -3.481 1.416 1.00 0.00 C ATOM 822 C ASN A 54 6.671 -3.532 -0.052 1.00 0.00 C ATOM 823 O ASN A 54 7.761 -3.027 -0.375 1.00 0.00 O ATOM 824 CB ASN A 54 6.436 -4.864 2.117 1.00 0.00 C ATOM 825 CG ASN A 54 6.400 -4.713 3.649 1.00 0.00 C ATOM 826 OD1 ASN A 54 7.404 -4.943 4.331 1.00 0.00 O ATOM 827 ND2 ASN A 54 5.310 -4.302 4.215 1.00 0.00 N ATOM 0 H ASN A 54 4.143 -3.912 1.851 1.00 0.00 H new ATOM 0 HA ASN A 54 6.732 -2.703 1.944 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.681 -5.583 1.800 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.403 -5.261 1.808 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.279 -4.168 5.226 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.482 -4.113 3.650 1.00 0.00 H new ATOM 834 N GLU A 55 5.839 -4.151 -0.943 1.00 0.00 N ATOM 835 CA GLU A 55 6.170 -4.272 -2.388 1.00 0.00 C ATOM 836 C GLU A 55 6.133 -2.880 -3.062 1.00 0.00 C ATOM 837 O GLU A 55 6.984 -2.564 -3.901 1.00 0.00 O ATOM 838 CB GLU A 55 5.142 -5.249 -3.102 1.00 0.00 C ATOM 839 CG GLU A 55 5.530 -5.502 -4.640 1.00 0.00 C ATOM 840 CD GLU A 55 4.559 -6.491 -5.339 1.00 0.00 C ATOM 841 OE1 GLU A 55 3.499 -6.770 -4.792 1.00 0.00 O ATOM 842 OE2 GLU A 55 4.898 -6.940 -6.423 1.00 0.00 O ATOM 0 H GLU A 55 4.945 -4.568 -0.684 1.00 0.00 H new ATOM 0 HA GLU A 55 7.175 -4.683 -2.485 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.117 -6.201 -2.572 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.139 -4.826 -3.045 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.524 -4.552 -5.175 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.546 -5.893 -4.696 1.00 0.00 H new ATOM 849 N PHE A 56 5.097 -2.065 -2.706 1.00 0.00 N ATOM 850 CA PHE A 56 4.908 -0.721 -3.309 1.00 0.00 C ATOM 851 C PHE A 56 6.122 0.192 -2.993 1.00 0.00 C ATOM 852 O PHE A 56 6.657 0.842 -3.885 1.00 0.00 O ATOM 853 CB PHE A 56 3.578 -0.073 -2.748 1.00 0.00 C ATOM 854 CG PHE A 56 3.406 1.367 -3.376 1.00 0.00 C ATOM 855 CD1 PHE A 56 2.971 1.493 -4.720 1.00 0.00 C ATOM 856 CD2 PHE A 56 3.742 2.540 -2.640 1.00 0.00 C ATOM 857 CE1 PHE A 56 2.872 2.756 -5.314 1.00 0.00 C ATOM 858 CE2 PHE A 56 3.650 3.799 -3.248 1.00 0.00 C ATOM 859 CZ PHE A 56 3.209 3.910 -4.580 1.00 0.00 C ATOM 0 H PHE A 56 4.391 -2.316 -2.013 1.00 0.00 H new ATOM 0 HA PHE A 56 4.830 -0.825 -4.391 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.720 -0.698 -2.997 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.620 -0.008 -1.661 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.715 0.610 -5.287 1.00 0.00 H new ATOM 0 HD2 PHE A 56 4.068 2.459 -1.613 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.537 2.846 -6.337 1.00 0.00 H new ATOM 0 HE2 PHE A 56 3.918 4.686 -2.693 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.129 4.883 -5.041 1.00 0.00 H new ATOM 869 N VAL A 57 6.533 0.226 -1.703 1.00 0.00 N ATOM 870 CA VAL A 57 7.684 1.065 -1.254 1.00 0.00 C ATOM 871 C VAL A 57 8.983 0.575 -1.939 1.00 0.00 C ATOM 872 O VAL A 57 9.789 1.383 -2.421 1.00 0.00 O ATOM 873 CB VAL A 57 7.809 0.957 0.338 1.00 0.00 C ATOM 874 CG1 VAL A 57 9.156 1.635 0.881 1.00 0.00 C ATOM 875 CG2 VAL A 57 6.551 1.661 1.030 1.00 0.00 C ATOM 0 H VAL A 57 6.093 -0.311 -0.956 1.00 0.00 H new ATOM 0 HA VAL A 57 7.523 2.107 -1.531 1.00 0.00 H new ATOM 0 HB VAL A 57 7.837 -0.103 0.592 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.200 1.539 1.966 1.00 0.00 H new ATOM 0 HG12 VAL A 57 10.018 1.137 0.437 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.167 2.691 0.610 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.642 1.584 2.114 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.518 2.712 0.742 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.634 1.167 0.707 1.00 0.00 H new ATOM 885 N ALA A 58 9.170 -0.769 -1.961 1.00 0.00 N ATOM 886 CA ALA A 58 10.372 -1.390 -2.576 1.00 0.00 C ATOM 887 C ALA A 58 10.403 -1.132 -4.110 1.00 0.00 C ATOM 888 O ALA A 58 11.470 -0.859 -4.683 1.00 0.00 O ATOM 889 CB ALA A 58 10.365 -2.935 -2.268 1.00 0.00 C ATOM 0 H ALA A 58 8.511 -1.439 -1.564 1.00 0.00 H new ATOM 0 HA ALA A 58 11.269 -0.941 -2.150 1.00 0.00 H new ATOM 0 HB1 ALA A 58 11.244 -3.399 -2.716 1.00 0.00 H new ATOM 0 HB2 ALA A 58 10.382 -3.091 -1.189 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.464 -3.385 -2.686 1.00 0.00 H new ATOM 895 N ALA A 59 9.205 -1.209 -4.756 1.00 0.00 N ATOM 896 CA ALA A 59 9.060 -0.969 -6.222 1.00 0.00 C ATOM 897 C ALA A 59 9.167 0.550 -6.568 1.00 0.00 C ATOM 898 O ALA A 59 9.807 0.927 -7.562 1.00 0.00 O ATOM 899 CB ALA A 59 7.664 -1.528 -6.675 1.00 0.00 C ATOM 0 H ALA A 59 8.328 -1.435 -4.286 1.00 0.00 H new ATOM 0 HA ALA A 59 9.867 -1.478 -6.749 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.536 -1.363 -7.745 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.614 -2.596 -6.464 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.872 -1.013 -6.131 1.00 0.00 H new ATOM 905 N ALA A 60 8.497 1.413 -5.741 1.00 0.00 N ATOM 906 CA ALA A 60 8.482 2.898 -5.963 1.00 0.00 C ATOM 907 C ALA A 60 9.895 3.486 -5.764 1.00 0.00 C ATOM 908 O ALA A 60 10.340 4.354 -6.542 1.00 0.00 O ATOM 909 CB ALA A 60 7.488 3.557 -4.935 1.00 0.00 C ATOM 0 H ALA A 60 7.966 1.111 -4.924 1.00 0.00 H new ATOM 0 HA ALA A 60 8.159 3.106 -6.983 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.469 4.636 -5.087 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.487 3.152 -5.086 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.818 3.340 -3.919 1.00 0.00 H new ATOM 915 N ARG A 61 10.598 3.011 -4.694 1.00 0.00 N ATOM 916 CA ARG A 61 11.971 3.487 -4.380 1.00 0.00 C ATOM 917 C ARG A 61 12.972 2.959 -5.413 1.00 0.00 C ATOM 918 O ARG A 61 13.841 3.693 -5.908 1.00 0.00 O ATOM 919 CB ARG A 61 12.374 3.021 -2.925 1.00 0.00 C ATOM 920 CG ARG A 61 13.819 3.580 -2.525 1.00 0.00 C ATOM 921 CD ARG A 61 14.231 3.173 -1.066 1.00 0.00 C ATOM 922 NE ARG A 61 15.578 3.743 -0.784 1.00 0.00 N ATOM 923 CZ ARG A 61 15.777 5.065 -0.491 1.00 0.00 C ATOM 924 NH1 ARG A 61 14.760 5.908 -0.469 1.00 0.00 N ATOM 925 NH2 ARG A 61 16.972 5.505 -0.267 1.00 0.00 N ATOM 0 H ARG A 61 10.239 2.310 -4.046 1.00 0.00 H new ATOM 0 HA ARG A 61 11.988 4.576 -4.420 1.00 0.00 H new ATOM 0 HB2 ARG A 61 11.632 3.373 -2.208 1.00 0.00 H new ATOM 0 HB3 ARG A 61 12.374 1.932 -2.875 1.00 0.00 H new ATOM 0 HG2 ARG A 61 14.560 3.201 -3.229 1.00 0.00 H new ATOM 0 HG3 ARG A 61 13.823 4.667 -2.612 1.00 0.00 H new ATOM 0 HD2 ARG A 61 13.502 3.548 -0.347 1.00 0.00 H new ATOM 0 HD3 ARG A 61 14.249 2.088 -0.965 1.00 0.00 H new ATOM 0 HE ARG A 61 16.386 3.122 -0.810 1.00 0.00 H new ATOM 0 HH11 ARG A 61 13.817 5.575 -0.671 1.00 0.00 H new ATOM 0 HH12 ARG A 61 14.918 6.892 -0.250 1.00 0.00 H new ATOM 0 HH21 ARG A 61 17.767 4.867 -0.309 1.00 0.00 H new ATOM 0 HH22 ARG A 61 17.120 6.490 -0.049 1.00 0.00 H new