USER MOD reduce.3.24.130724 H: found=0, std=0, add=390, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 390 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 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 73:sc= 0.858 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 167:sc= 0.00833 (180deg=0.00252) USER MOD Single : A 43 LYS NZ :NH3+ 178:sc= -4.52! (180deg=-4.64!) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.474 USER MOD Single : A 48 ASN : amide:sc= -10.8! C(o=-11!,f=-12!) USER MOD Single : A 49 ASN : amide:sc= -1.45 K(o=-1.4,f=-0.16) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 59:sc= 0.804 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0503 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.699 K(o=-0.7,f=-3!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 21 -0.084 19.210 -5.488 1.00 0.00 N ATOM 2 CA LYS A 21 -0.825 17.916 -5.609 1.00 0.00 C ATOM 3 C LYS A 21 -0.941 17.617 -7.093 1.00 0.00 C ATOM 4 O LYS A 21 -0.944 16.495 -7.535 1.00 0.00 O ATOM 5 CB LYS A 21 -2.231 18.033 -4.960 1.00 0.00 C ATOM 6 CG LYS A 21 -2.280 17.290 -3.603 1.00 0.00 C ATOM 7 CD LYS A 21 -2.720 15.836 -3.811 1.00 0.00 C ATOM 8 CE LYS A 21 -2.607 15.074 -2.490 1.00 0.00 C ATOM 9 NZ LYS A 21 -3.355 13.789 -2.590 1.00 0.00 N ATOM 0 HA LYS A 21 -0.300 17.113 -5.092 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.481 19.084 -4.812 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.982 17.618 -5.633 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.298 17.316 -3.130 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.972 17.794 -2.929 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.747 15.804 -4.174 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.098 15.362 -4.571 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.560 14.880 -2.259 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.007 15.677 -1.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.278 13.271 -1.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.356 13.985 -2.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.954 13.213 -3.357 1.00 0.00 H new ATOM 23 N LEU A 22 -1.002 18.654 -7.834 1.00 0.00 N ATOM 24 CA LEU A 22 -1.097 18.586 -9.310 1.00 0.00 C ATOM 25 C LEU A 22 -0.045 17.626 -9.905 1.00 0.00 C ATOM 26 O LEU A 22 -0.376 16.602 -10.464 1.00 0.00 O ATOM 27 CB LEU A 22 -0.801 20.017 -9.739 1.00 0.00 C ATOM 28 CG LEU A 22 -0.392 20.112 -11.214 1.00 0.00 C ATOM 29 CD1 LEU A 22 -1.437 19.413 -12.094 1.00 0.00 C ATOM 30 CD2 LEU A 22 -0.303 21.589 -11.611 1.00 0.00 C ATOM 0 H LEU A 22 -0.990 19.605 -7.466 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.063 18.212 -9.649 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.683 20.634 -9.569 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.003 20.422 -9.117 1.00 0.00 H new ATOM 0 HG LEU A 22 0.574 19.627 -11.354 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.139 19.485 -13.140 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.509 18.363 -11.809 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.406 19.893 -11.959 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.013 21.667 -12.659 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.274 22.064 -11.467 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.441 22.088 -10.990 1.00 0.00 H new ATOM 42 N LEU A 23 1.212 17.958 -9.789 1.00 0.00 N ATOM 43 CA LEU A 23 2.287 17.083 -10.344 1.00 0.00 C ATOM 44 C LEU A 23 2.495 15.961 -9.361 1.00 0.00 C ATOM 45 O LEU A 23 2.574 14.797 -9.699 1.00 0.00 O ATOM 46 CB LEU A 23 3.559 17.914 -10.499 1.00 0.00 C ATOM 47 CG LEU A 23 4.720 17.052 -11.012 1.00 0.00 C ATOM 48 CD1 LEU A 23 4.395 16.503 -12.410 1.00 0.00 C ATOM 49 CD2 LEU A 23 5.984 17.915 -11.082 1.00 0.00 C ATOM 0 H LEU A 23 1.544 18.806 -9.329 1.00 0.00 H new ATOM 0 HA LEU A 23 2.022 16.676 -11.320 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.378 18.736 -11.191 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.827 18.358 -9.540 1.00 0.00 H new ATOM 0 HG LEU A 23 4.876 16.213 -10.334 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.226 15.893 -12.764 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.493 15.893 -12.361 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.235 17.333 -13.099 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.816 17.312 -11.446 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.817 18.751 -11.762 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.219 18.297 -10.089 1.00 0.00 H new ATOM 61 N ILE A 24 2.538 16.328 -8.129 1.00 0.00 N ATOM 62 CA ILE A 24 2.688 15.341 -7.036 1.00 0.00 C ATOM 63 C ILE A 24 1.661 14.223 -7.290 1.00 0.00 C ATOM 64 O ILE A 24 1.795 13.113 -6.812 1.00 0.00 O ATOM 65 CB ILE A 24 2.401 16.041 -5.665 1.00 0.00 C ATOM 66 CG1 ILE A 24 2.278 17.582 -5.844 1.00 0.00 C ATOM 67 CG2 ILE A 24 3.534 15.747 -4.670 1.00 0.00 C ATOM 68 CD1 ILE A 24 3.638 18.180 -6.233 1.00 0.00 C ATOM 0 H ILE A 24 2.474 17.298 -7.819 1.00 0.00 H new ATOM 0 HA ILE A 24 3.697 14.930 -7.006 1.00 0.00 H new ATOM 0 HB ILE A 24 1.460 15.648 -5.282 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.539 17.808 -6.613 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.924 18.036 -4.918 1.00 0.00 H new ATOM 0 HG21 ILE A 24 3.322 16.240 -3.721 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.609 14.671 -4.512 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.476 16.121 -5.070 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.540 19.259 -6.356 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.366 17.969 -5.450 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.975 17.738 -7.170 1.00 0.00 H new ATOM 80 N THR A 25 0.638 14.523 -8.061 1.00 0.00 N ATOM 81 CA THR A 25 -0.408 13.499 -8.381 1.00 0.00 C ATOM 82 C THR A 25 -0.147 12.916 -9.775 1.00 0.00 C ATOM 83 O THR A 25 -0.258 11.725 -9.982 1.00 0.00 O ATOM 84 CB THR A 25 -1.799 14.149 -8.360 1.00 0.00 C ATOM 85 OG1 THR A 25 -2.114 14.545 -7.032 1.00 0.00 O ATOM 86 CG2 THR A 25 -2.847 13.143 -8.846 1.00 0.00 C ATOM 0 H THR A 25 0.484 15.439 -8.483 1.00 0.00 H new ATOM 0 HA THR A 25 -0.367 12.705 -7.636 1.00 0.00 H new ATOM 0 HB THR A 25 -1.799 15.020 -9.016 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.584 15.333 -6.791 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.833 13.608 -8.830 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.609 12.833 -9.863 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.846 12.272 -8.191 1.00 0.00 H new ATOM 94 N ILE A 26 0.203 13.734 -10.736 1.00 0.00 N ATOM 95 CA ILE A 26 0.463 13.189 -12.103 1.00 0.00 C ATOM 96 C ILE A 26 1.692 12.316 -12.052 1.00 0.00 C ATOM 97 O ILE A 26 1.788 11.283 -12.685 1.00 0.00 O ATOM 98 CB ILE A 26 0.727 14.341 -13.074 1.00 0.00 C ATOM 99 CG1 ILE A 26 -0.551 15.174 -13.243 1.00 0.00 C ATOM 100 CG2 ILE A 26 1.156 13.780 -14.434 1.00 0.00 C ATOM 101 CD1 ILE A 26 -0.195 16.551 -13.805 1.00 0.00 C ATOM 0 H ILE A 26 0.319 14.742 -10.636 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.402 12.616 -12.437 1.00 0.00 H new ATOM 0 HB ILE A 26 1.522 14.973 -12.677 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.243 14.664 -13.913 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.057 15.281 -12.283 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.344 14.603 -15.124 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.066 13.192 -14.314 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.364 13.146 -14.832 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.104 17.141 -13.924 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.481 17.061 -13.118 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.292 16.434 -14.773 1.00 0.00 H new ATOM 113 N HIS A 27 2.631 12.760 -11.313 1.00 0.00 N ATOM 114 CA HIS A 27 3.907 12.034 -11.183 1.00 0.00 C ATOM 115 C HIS A 27 3.724 10.814 -10.272 1.00 0.00 C ATOM 116 O HIS A 27 4.573 9.946 -10.213 1.00 0.00 O ATOM 117 CB HIS A 27 4.924 13.019 -10.598 1.00 0.00 C ATOM 118 CG HIS A 27 6.299 12.730 -11.129 1.00 0.00 C ATOM 119 ND1 HIS A 27 7.288 12.128 -10.370 1.00 0.00 N ATOM 120 CD2 HIS A 27 6.853 12.966 -12.357 1.00 0.00 C ATOM 121 CE1 HIS A 27 8.383 12.022 -11.147 1.00 0.00 C ATOM 122 NE2 HIS A 27 8.171 12.518 -12.370 1.00 0.00 N ATOM 0 H HIS A 27 2.576 13.623 -10.772 1.00 0.00 H new ATOM 0 HA HIS A 27 4.256 11.665 -12.147 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.637 14.040 -10.850 1.00 0.00 H new ATOM 0 HB3 HIS A 27 4.925 12.947 -9.510 1.00 0.00 H new ATOM 0 HD2 HIS A 27 6.345 13.429 -13.190 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.318 11.589 -10.822 1.00 0.00 H new ATOM 0 HE2 HIS A 27 8.832 12.559 -13.146 1.00 0.00 H new ATOM 130 N ASP A 28 2.618 10.739 -9.568 1.00 0.00 N ATOM 131 CA ASP A 28 2.364 9.572 -8.662 1.00 0.00 C ATOM 132 C ASP A 28 1.206 8.736 -9.210 1.00 0.00 C ATOM 133 O ASP A 28 1.263 7.522 -9.224 1.00 0.00 O ATOM 134 CB ASP A 28 1.994 10.072 -7.265 1.00 0.00 C ATOM 135 CG ASP A 28 3.178 10.829 -6.661 1.00 0.00 C ATOM 136 OD1 ASP A 28 4.239 10.807 -7.262 1.00 0.00 O ATOM 137 OD2 ASP A 28 3.004 11.417 -5.606 1.00 0.00 O ATOM 0 H ASP A 28 1.877 11.440 -9.582 1.00 0.00 H new ATOM 0 HA ASP A 28 3.267 8.964 -8.609 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.122 10.724 -7.320 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.723 9.231 -6.627 1.00 0.00 H new ATOM 142 N ARG A 29 0.152 9.365 -9.661 1.00 0.00 N ATOM 143 CA ARG A 29 -0.996 8.580 -10.198 1.00 0.00 C ATOM 144 C ARG A 29 -0.475 7.590 -11.240 1.00 0.00 C ATOM 145 O ARG A 29 -1.150 6.661 -11.623 1.00 0.00 O ATOM 146 CB ARG A 29 -2.051 9.514 -10.815 1.00 0.00 C ATOM 147 CG ARG A 29 -1.627 9.965 -12.218 1.00 0.00 C ATOM 148 CD ARG A 29 -2.517 11.123 -12.676 1.00 0.00 C ATOM 149 NE ARG A 29 -1.990 11.682 -13.953 1.00 0.00 N ATOM 150 CZ ARG A 29 -2.738 12.465 -14.681 1.00 0.00 C ATOM 151 NH1 ARG A 29 -3.947 12.761 -14.289 1.00 0.00 N ATOM 152 NH2 ARG A 29 -2.277 12.954 -15.799 1.00 0.00 N ATOM 0 H ARG A 29 0.038 10.378 -9.680 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.474 8.033 -9.385 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.011 9.000 -10.868 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.190 10.385 -10.175 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.583 10.277 -12.211 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.706 9.133 -12.918 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.541 10.776 -12.814 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.544 11.899 -11.911 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.044 11.452 -14.258 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.307 12.380 -13.414 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.532 13.373 -14.858 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.331 12.724 -16.105 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.862 13.566 -16.368 1.00 0.00 H new ATOM 166 N LYS A 30 0.729 7.786 -11.697 1.00 0.00 N ATOM 167 CA LYS A 30 1.298 6.851 -12.706 1.00 0.00 C ATOM 168 C LYS A 30 1.246 5.440 -12.129 1.00 0.00 C ATOM 169 O LYS A 30 0.736 4.522 -12.740 1.00 0.00 O ATOM 170 CB LYS A 30 2.749 7.235 -13.004 1.00 0.00 C ATOM 171 CG LYS A 30 3.276 6.387 -14.164 1.00 0.00 C ATOM 172 CD LYS A 30 4.590 6.983 -14.681 1.00 0.00 C ATOM 173 CE LYS A 30 5.631 6.991 -13.558 1.00 0.00 C ATOM 174 NZ LYS A 30 6.992 7.144 -14.145 1.00 0.00 N ATOM 0 H LYS A 30 1.343 8.551 -11.417 1.00 0.00 H new ATOM 0 HA LYS A 30 0.726 6.901 -13.632 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.811 8.294 -13.256 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.366 7.082 -12.118 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.436 5.360 -13.834 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.540 6.353 -14.967 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.957 6.400 -15.526 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.423 7.998 -15.042 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.428 7.808 -12.865 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.572 6.065 -12.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.700 7.150 -13.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.183 6.351 -14.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.044 8.039 -14.672 1.00 0.00 H new ATOM 188 N GLU A 31 1.753 5.267 -10.939 1.00 0.00 N ATOM 189 CA GLU A 31 1.715 3.926 -10.300 1.00 0.00 C ATOM 190 C GLU A 31 0.262 3.604 -9.959 1.00 0.00 C ATOM 191 O GLU A 31 -0.224 2.518 -10.208 1.00 0.00 O ATOM 192 CB GLU A 31 2.548 3.948 -9.018 1.00 0.00 C ATOM 193 CG GLU A 31 3.867 4.676 -9.280 1.00 0.00 C ATOM 194 CD GLU A 31 4.837 4.409 -8.127 1.00 0.00 C ATOM 195 OE1 GLU A 31 4.911 3.271 -7.694 1.00 0.00 O ATOM 196 OE2 GLU A 31 5.488 5.347 -7.698 1.00 0.00 O ATOM 0 H GLU A 31 2.193 6.000 -10.382 1.00 0.00 H new ATOM 0 HA GLU A 31 2.122 3.172 -10.974 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.996 4.448 -8.222 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.743 2.930 -8.681 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.301 4.336 -10.220 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.690 5.747 -9.379 1.00 0.00 H new ATOM 203 N PHE A 32 -0.435 4.552 -9.396 1.00 0.00 N ATOM 204 CA PHE A 32 -1.859 4.321 -9.044 1.00 0.00 C ATOM 205 C PHE A 32 -2.604 3.913 -10.303 1.00 0.00 C ATOM 206 O PHE A 32 -3.284 2.908 -10.354 1.00 0.00 O ATOM 207 CB PHE A 32 -2.453 5.619 -8.461 1.00 0.00 C ATOM 208 CG PHE A 32 -3.520 5.292 -7.438 1.00 0.00 C ATOM 209 CD1 PHE A 32 -3.156 4.968 -6.125 1.00 0.00 C ATOM 210 CD2 PHE A 32 -4.871 5.314 -7.805 1.00 0.00 C ATOM 211 CE1 PHE A 32 -4.144 4.665 -5.180 1.00 0.00 C ATOM 212 CE2 PHE A 32 -5.858 5.011 -6.859 1.00 0.00 C ATOM 213 CZ PHE A 32 -5.494 4.687 -5.546 1.00 0.00 C ATOM 0 H PHE A 32 -0.076 5.478 -9.165 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.949 3.531 -8.298 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.665 6.212 -7.998 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.879 6.224 -9.261 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.114 4.952 -5.841 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.152 5.565 -8.817 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.863 4.414 -4.168 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.900 5.027 -7.142 1.00 0.00 H new ATOM 0 HZ PHE A 32 -6.255 4.454 -4.816 1.00 0.00 H new ATOM 223 N ALA A 33 -2.456 4.690 -11.319 1.00 0.00 N ATOM 224 CA ALA A 33 -3.124 4.379 -12.611 1.00 0.00 C ATOM 225 C ALA A 33 -2.645 3.012 -13.096 1.00 0.00 C ATOM 226 O ALA A 33 -3.294 2.360 -13.882 1.00 0.00 O ATOM 227 CB ALA A 33 -2.766 5.448 -13.645 1.00 0.00 C ATOM 0 H ALA A 33 -1.895 5.542 -11.319 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.205 4.365 -12.476 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.257 5.218 -14.591 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.100 6.423 -13.291 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.686 5.465 -13.791 1.00 0.00 H new ATOM 233 N LYS A 34 -1.506 2.571 -12.632 1.00 0.00 N ATOM 234 CA LYS A 34 -0.991 1.239 -13.062 1.00 0.00 C ATOM 235 C LYS A 34 -1.590 0.151 -12.169 1.00 0.00 C ATOM 236 O LYS A 34 -2.297 -0.724 -12.628 1.00 0.00 O ATOM 237 CB LYS A 34 0.537 1.212 -12.935 1.00 0.00 C ATOM 238 CG LYS A 34 1.096 -0.066 -13.585 1.00 0.00 C ATOM 239 CD LYS A 34 2.481 -0.395 -13.003 1.00 0.00 C ATOM 240 CE LYS A 34 2.371 -0.818 -11.524 1.00 0.00 C ATOM 241 NZ LYS A 34 3.412 -1.842 -11.228 1.00 0.00 N ATOM 0 H LYS A 34 -0.911 3.075 -11.975 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.273 1.061 -14.100 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.966 2.092 -13.415 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.824 1.251 -11.884 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.414 -0.899 -13.413 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.169 0.068 -14.664 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.942 -1.196 -13.581 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.132 0.475 -13.089 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.501 0.048 -10.875 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.379 -1.222 -11.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.491 -1.969 -10.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.146 -2.745 -11.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.327 -1.527 -11.609 1.00 0.00 H new ATOM 255 N PHE A 35 -1.304 0.193 -10.896 1.00 0.00 N ATOM 256 CA PHE A 35 -1.849 -0.846 -9.977 1.00 0.00 C ATOM 257 C PHE A 35 -3.358 -0.952 -10.162 1.00 0.00 C ATOM 258 O PHE A 35 -3.994 -1.862 -9.677 1.00 0.00 O ATOM 259 CB PHE A 35 -1.529 -0.477 -8.525 1.00 0.00 C ATOM 260 CG PHE A 35 -0.065 -0.738 -8.249 1.00 0.00 C ATOM 261 CD1 PHE A 35 0.423 -2.051 -8.257 1.00 0.00 C ATOM 262 CD2 PHE A 35 0.804 0.329 -7.984 1.00 0.00 C ATOM 263 CE1 PHE A 35 1.778 -2.296 -8.001 1.00 0.00 C ATOM 264 CE2 PHE A 35 2.159 0.083 -7.729 1.00 0.00 C ATOM 265 CZ PHE A 35 2.645 -1.229 -7.738 1.00 0.00 C ATOM 0 H PHE A 35 -0.718 0.901 -10.453 1.00 0.00 H new ATOM 0 HA PHE A 35 -1.389 -1.807 -10.209 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -1.762 0.572 -8.345 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -2.148 -1.062 -7.845 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -0.246 -2.874 -8.461 1.00 0.00 H new ATOM 0 HD2 PHE A 35 0.429 1.342 -7.976 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.154 -3.308 -8.007 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.828 0.906 -7.526 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.690 -1.419 -7.542 1.00 0.00 H new ATOM 275 N GLU A 36 -3.934 -0.028 -10.858 1.00 0.00 N ATOM 276 CA GLU A 36 -5.402 -0.075 -11.077 1.00 0.00 C ATOM 277 C GLU A 36 -5.795 -1.426 -11.673 1.00 0.00 C ATOM 278 O GLU A 36 -6.783 -2.021 -11.310 1.00 0.00 O ATOM 279 CB GLU A 36 -5.804 1.088 -11.994 1.00 0.00 C ATOM 280 CG GLU A 36 -5.533 0.721 -13.442 1.00 0.00 C ATOM 281 CD GLU A 36 -5.807 1.928 -14.343 1.00 0.00 C ATOM 282 OE1 GLU A 36 -6.540 2.805 -13.918 1.00 0.00 O ATOM 283 OE2 GLU A 36 -5.277 1.954 -15.441 1.00 0.00 O ATOM 0 H GLU A 36 -3.454 0.763 -11.288 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.931 0.032 -10.130 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.861 1.320 -11.860 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.245 1.984 -11.726 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.499 0.397 -13.557 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.164 -0.117 -13.739 1.00 0.00 H new ATOM 290 N GLU A 37 -5.028 -1.882 -12.602 1.00 0.00 N ATOM 291 CA GLU A 37 -5.325 -3.180 -13.284 1.00 0.00 C ATOM 292 C GLU A 37 -5.446 -4.329 -12.273 1.00 0.00 C ATOM 293 O GLU A 37 -6.147 -5.292 -12.509 1.00 0.00 O ATOM 294 CB GLU A 37 -4.199 -3.497 -14.270 1.00 0.00 C ATOM 295 CG GLU A 37 -4.629 -4.645 -15.187 1.00 0.00 C ATOM 296 CD GLU A 37 -5.703 -4.150 -16.157 1.00 0.00 C ATOM 297 OE1 GLU A 37 -5.338 -3.564 -17.163 1.00 0.00 O ATOM 298 OE2 GLU A 37 -6.870 -4.368 -15.880 1.00 0.00 O ATOM 0 H GLU A 37 -4.187 -1.410 -12.934 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.277 -3.082 -13.807 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.961 -2.614 -14.863 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.293 -3.770 -13.728 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.770 -5.023 -15.741 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.015 -5.474 -14.593 1.00 0.00 H new ATOM 305 N GLU A 38 -4.763 -4.256 -11.166 1.00 0.00 N ATOM 306 CA GLU A 38 -4.834 -5.349 -10.176 1.00 0.00 C ATOM 307 C GLU A 38 -6.227 -5.397 -9.534 1.00 0.00 C ATOM 308 O GLU A 38 -6.912 -6.400 -9.584 1.00 0.00 O ATOM 309 CB GLU A 38 -3.772 -5.071 -9.110 1.00 0.00 C ATOM 310 CG GLU A 38 -2.390 -5.498 -9.621 1.00 0.00 C ATOM 311 CD GLU A 38 -2.130 -4.878 -10.995 1.00 0.00 C ATOM 312 OE1 GLU A 38 -2.409 -3.702 -11.156 1.00 0.00 O ATOM 313 OE2 GLU A 38 -1.653 -5.591 -11.865 1.00 0.00 O ATOM 0 H GLU A 38 -4.156 -3.478 -10.909 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.655 -6.311 -10.656 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.765 -4.010 -8.861 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.013 -5.612 -8.195 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.619 -5.183 -8.918 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.336 -6.585 -9.686 1.00 0.00 H new ATOM 320 N ARG A 39 -6.639 -4.319 -8.923 1.00 0.00 N ATOM 321 CA ARG A 39 -7.979 -4.264 -8.251 1.00 0.00 C ATOM 322 C ARG A 39 -8.954 -3.449 -9.079 1.00 0.00 C ATOM 323 O ARG A 39 -9.983 -3.089 -8.578 1.00 0.00 O ATOM 324 CB ARG A 39 -7.859 -3.667 -6.844 1.00 0.00 C ATOM 325 CG ARG A 39 -6.700 -2.667 -6.809 1.00 0.00 C ATOM 326 CD ARG A 39 -7.000 -1.617 -5.755 1.00 0.00 C ATOM 327 NE ARG A 39 -7.679 -2.255 -4.579 1.00 0.00 N ATOM 328 CZ ARG A 39 -7.678 -1.632 -3.430 1.00 0.00 C ATOM 329 NH1 ARG A 39 -7.120 -0.457 -3.332 1.00 0.00 N ATOM 330 NH2 ARG A 39 -8.231 -2.177 -2.384 1.00 0.00 N ATOM 0 H ARG A 39 -6.097 -3.457 -8.858 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.355 -5.283 -8.164 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -8.789 -3.171 -6.568 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.691 -4.459 -6.115 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.765 -3.179 -6.579 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.575 -2.199 -7.785 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.076 -1.135 -5.435 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.636 -0.838 -6.175 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.135 -3.162 -4.675 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.687 -0.028 -4.150 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.117 0.033 -2.437 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.668 -3.095 -2.459 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.227 -1.685 -1.490 1.00 0.00 H new ATOM 344 N ALA A 40 -8.627 -3.138 -10.314 1.00 0.00 N ATOM 345 CA ALA A 40 -9.530 -2.331 -11.256 1.00 0.00 C ATOM 346 C ALA A 40 -11.037 -2.484 -10.955 1.00 0.00 C ATOM 347 O ALA A 40 -11.891 -2.154 -11.752 1.00 0.00 O ATOM 348 CB ALA A 40 -9.257 -2.758 -12.705 1.00 0.00 C ATOM 0 H ALA A 40 -7.741 -3.413 -10.738 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.286 -1.280 -11.099 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.896 -2.188 -13.379 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.212 -2.569 -12.949 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.469 -3.821 -12.817 1.00 0.00 H new ATOM 354 N ARG A 41 -11.334 -2.992 -9.838 1.00 0.00 N ATOM 355 CA ARG A 41 -12.688 -3.216 -9.375 1.00 0.00 C ATOM 356 C ARG A 41 -13.141 -2.019 -8.551 1.00 0.00 C ATOM 357 O ARG A 41 -14.300 -1.862 -8.266 1.00 0.00 O ATOM 358 CB ARG A 41 -12.573 -4.428 -8.505 1.00 0.00 C ATOM 359 CG ARG A 41 -12.099 -5.651 -9.361 1.00 0.00 C ATOM 360 CD ARG A 41 -10.948 -6.442 -8.682 1.00 0.00 C ATOM 361 NE ARG A 41 -9.821 -6.648 -9.655 1.00 0.00 N ATOM 362 CZ ARG A 41 -10.038 -7.102 -10.862 1.00 0.00 C ATOM 363 NH1 ARG A 41 -11.240 -7.455 -11.228 1.00 0.00 N ATOM 364 NH2 ARG A 41 -9.043 -7.223 -11.698 1.00 0.00 N ATOM 0 H ARG A 41 -10.627 -3.288 -9.165 1.00 0.00 H new ATOM 0 HA ARG A 41 -13.407 -3.348 -10.184 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.865 -4.241 -7.697 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -13.535 -4.647 -8.042 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -12.943 -6.319 -9.532 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -11.767 -5.300 -10.338 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.589 -5.899 -7.807 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -11.316 -7.406 -8.330 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.867 -6.429 -9.368 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -12.017 -7.377 -10.571 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.403 -7.808 -12.171 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.100 -6.964 -11.409 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.209 -7.577 -12.640 1.00 0.00 H new ATOM 378 N ALA A 42 -12.229 -1.171 -8.155 1.00 0.00 N ATOM 379 CA ALA A 42 -12.639 -0.001 -7.324 1.00 0.00 C ATOM 380 C ALA A 42 -13.711 0.784 -8.043 1.00 0.00 C ATOM 381 O ALA A 42 -14.693 1.225 -7.477 1.00 0.00 O ATOM 382 CB ALA A 42 -11.428 0.895 -7.052 1.00 0.00 C ATOM 0 H ALA A 42 -11.233 -1.235 -8.367 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.035 -0.358 -6.373 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.735 1.747 -6.445 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -10.666 0.325 -6.519 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -11.020 1.252 -7.998 1.00 0.00 H new ATOM 388 N LYS A 43 -13.506 0.946 -9.281 1.00 0.00 N ATOM 389 CA LYS A 43 -14.453 1.689 -10.144 1.00 0.00 C ATOM 390 C LYS A 43 -15.826 1.051 -10.183 1.00 0.00 C ATOM 391 O LYS A 43 -16.805 1.720 -10.455 1.00 0.00 O ATOM 392 CB LYS A 43 -13.885 1.733 -11.556 1.00 0.00 C ATOM 393 CG LYS A 43 -13.079 0.435 -11.880 1.00 0.00 C ATOM 394 CD LYS A 43 -11.600 0.784 -12.158 1.00 0.00 C ATOM 395 CE LYS A 43 -11.463 1.392 -13.565 1.00 0.00 C ATOM 396 NZ LYS A 43 -12.712 2.117 -13.928 1.00 0.00 N ATOM 0 H LYS A 43 -12.688 0.584 -9.772 1.00 0.00 H new ATOM 0 HA LYS A 43 -14.572 2.690 -9.729 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -14.697 1.849 -12.274 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.237 2.603 -11.664 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.145 -0.262 -11.044 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.512 -0.064 -12.747 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.237 1.489 -11.410 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.984 -0.112 -12.077 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.614 2.075 -13.594 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.264 0.605 -14.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.600 2.554 -14.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.508 1.448 -13.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.902 2.857 -13.222 1.00 0.00 H new ATOM 410 N TRP A 44 -15.930 -0.212 -9.935 1.00 0.00 N ATOM 411 CA TRP A 44 -17.293 -0.845 -9.985 1.00 0.00 C ATOM 412 C TRP A 44 -17.404 -1.961 -8.960 1.00 0.00 C ATOM 413 O TRP A 44 -18.212 -2.861 -9.082 1.00 0.00 O ATOM 414 CB TRP A 44 -17.585 -1.392 -11.380 1.00 0.00 C ATOM 415 CG TRP A 44 -16.367 -2.006 -11.895 1.00 0.00 C ATOM 416 CD1 TRP A 44 -15.512 -1.359 -12.654 1.00 0.00 C ATOM 417 CD2 TRP A 44 -15.843 -3.350 -11.712 1.00 0.00 C ATOM 418 NE1 TRP A 44 -14.449 -2.178 -12.934 1.00 0.00 N ATOM 419 CE2 TRP A 44 -14.606 -3.424 -12.378 1.00 0.00 C ATOM 420 CE3 TRP A 44 -16.301 -4.490 -11.033 1.00 0.00 C ATOM 421 CZ2 TRP A 44 -13.837 -4.579 -12.369 1.00 0.00 C ATOM 422 CZ3 TRP A 44 -15.533 -5.669 -11.030 1.00 0.00 C ATOM 423 CH2 TRP A 44 -14.298 -5.709 -11.692 1.00 0.00 C ATOM 0 H TRP A 44 -15.157 -0.836 -9.703 1.00 0.00 H new ATOM 0 HA TRP A 44 -18.028 -0.076 -9.749 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -18.392 -2.124 -11.340 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -17.915 -0.590 -12.041 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -15.628 -0.343 -13.002 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -13.640 -1.896 -13.488 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -17.246 -4.462 -10.511 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -12.887 -4.603 -12.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -15.896 -6.546 -10.516 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -13.705 -6.612 -11.678 1.00 0.00 H new ATOM 434 N ASP A 45 -16.584 -1.917 -7.967 1.00 0.00 N ATOM 435 CA ASP A 45 -16.613 -2.988 -6.931 1.00 0.00 C ATOM 436 C ASP A 45 -15.685 -2.638 -5.789 1.00 0.00 C ATOM 437 O ASP A 45 -16.108 -2.376 -4.686 1.00 0.00 O ATOM 438 CB ASP A 45 -16.162 -4.313 -7.583 1.00 0.00 C ATOM 439 CG ASP A 45 -17.368 -5.247 -7.812 1.00 0.00 C ATOM 440 OD1 ASP A 45 -18.287 -5.216 -7.010 1.00 0.00 O ATOM 441 OD2 ASP A 45 -17.343 -5.990 -8.775 1.00 0.00 O ATOM 0 H ASP A 45 -15.888 -1.187 -7.818 1.00 0.00 H new ATOM 0 HA ASP A 45 -17.624 -3.088 -6.535 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -15.670 -4.107 -8.533 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -15.429 -4.807 -6.945 1.00 0.00 H new ATOM 446 N THR A 46 -14.430 -2.691 -6.056 1.00 0.00 N ATOM 447 CA THR A 46 -13.406 -2.426 -5.017 1.00 0.00 C ATOM 448 C THR A 46 -13.291 -3.662 -4.187 1.00 0.00 C ATOM 449 O THR A 46 -12.224 -4.067 -3.823 1.00 0.00 O ATOM 450 CB THR A 46 -13.765 -1.171 -4.171 1.00 0.00 C ATOM 451 OG1 THR A 46 -12.629 -0.320 -4.122 1.00 0.00 O ATOM 452 CG2 THR A 46 -14.171 -1.520 -2.725 1.00 0.00 C ATOM 0 H THR A 46 -14.051 -2.913 -6.977 1.00 0.00 H new ATOM 0 HA THR A 46 -12.442 -2.198 -5.472 1.00 0.00 H new ATOM 0 HB THR A 46 -14.618 -0.688 -4.647 1.00 0.00 H new ATOM 0 HG1 THR A 46 -12.840 0.477 -3.593 1.00 0.00 H new ATOM 0 HG21 THR A 46 -14.410 -0.605 -2.183 1.00 0.00 H new ATOM 0 HG22 THR A 46 -15.044 -2.172 -2.740 1.00 0.00 H new ATOM 0 HG23 THR A 46 -13.346 -2.030 -2.228 1.00 0.00 H new ATOM 460 N ALA A 47 -14.391 -4.271 -3.910 1.00 0.00 N ATOM 461 CA ALA A 47 -14.368 -5.528 -3.109 1.00 0.00 C ATOM 462 C ALA A 47 -14.656 -6.718 -3.995 1.00 0.00 C ATOM 463 O ALA A 47 -14.008 -7.738 -3.882 1.00 0.00 O ATOM 464 CB ALA A 47 -15.397 -5.452 -1.980 1.00 0.00 C ATOM 0 H ALA A 47 -15.318 -3.959 -4.201 1.00 0.00 H new ATOM 0 HA ALA A 47 -13.376 -5.647 -2.674 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -15.371 -6.376 -1.402 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -15.162 -4.610 -1.329 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -16.392 -5.317 -2.403 1.00 0.00 H new ATOM 470 N ASN A 48 -15.607 -6.588 -4.880 1.00 0.00 N ATOM 471 CA ASN A 48 -15.957 -7.727 -5.810 1.00 0.00 C ATOM 472 C ASN A 48 -15.715 -9.071 -5.107 1.00 0.00 C ATOM 473 O ASN A 48 -16.537 -9.594 -4.381 1.00 0.00 O ATOM 474 CB ASN A 48 -15.045 -7.653 -7.050 1.00 0.00 C ATOM 475 CG ASN A 48 -13.647 -7.211 -6.605 1.00 0.00 C ATOM 476 OD1 ASN A 48 -13.443 -6.070 -6.246 1.00 0.00 O ATOM 477 ND2 ASN A 48 -12.675 -8.080 -6.587 1.00 0.00 N ATOM 0 H ASN A 48 -16.165 -5.743 -5.008 1.00 0.00 H new ATOM 0 HA ASN A 48 -17.006 -7.648 -6.097 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -14.996 -8.625 -7.541 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -15.451 -6.949 -7.776 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -11.746 -7.800 -6.272 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -12.843 -9.040 -6.888 1.00 0.00 H new ATOM 484 N ASN A 49 -14.549 -9.584 -5.336 1.00 0.00 N ATOM 485 CA ASN A 49 -14.081 -10.860 -4.745 1.00 0.00 C ATOM 486 C ASN A 49 -12.875 -10.514 -3.852 1.00 0.00 C ATOM 487 O ASN A 49 -12.214 -9.526 -4.103 1.00 0.00 O ATOM 488 CB ASN A 49 -13.623 -11.782 -5.889 1.00 0.00 C ATOM 489 CG ASN A 49 -14.651 -12.882 -6.165 1.00 0.00 C ATOM 490 OD1 ASN A 49 -14.333 -13.905 -6.737 1.00 0.00 O ATOM 491 ND2 ASN A 49 -15.870 -12.703 -5.778 1.00 0.00 N ATOM 0 H ASN A 49 -13.860 -9.143 -5.946 1.00 0.00 H new ATOM 0 HA ASN A 49 -14.863 -11.357 -4.171 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -13.467 -11.193 -6.793 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -12.665 -12.234 -5.633 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -16.571 -13.423 -5.952 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -16.131 -11.842 -5.298 1.00 0.00 H new ATOM 498 N PRO A 50 -12.603 -11.307 -2.838 1.00 0.00 N ATOM 499 CA PRO A 50 -11.465 -11.023 -1.951 1.00 0.00 C ATOM 500 C PRO A 50 -10.220 -10.741 -2.773 1.00 0.00 C ATOM 501 O PRO A 50 -9.249 -10.191 -2.299 1.00 0.00 O ATOM 502 CB PRO A 50 -11.334 -12.267 -1.048 1.00 0.00 C ATOM 503 CG PRO A 50 -12.526 -13.213 -1.396 1.00 0.00 C ATOM 504 CD PRO A 50 -13.362 -12.526 -2.505 1.00 0.00 C ATOM 0 HA PRO A 50 -11.608 -10.133 -1.339 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.381 -12.769 -1.219 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -11.361 -11.984 0.004 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -12.159 -14.181 -1.737 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -13.139 -13.397 -0.514 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -13.475 -13.173 -3.375 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -14.365 -12.285 -2.154 1.00 0.00 H new ATOM 512 N LEU A 51 -10.296 -11.055 -4.014 1.00 0.00 N ATOM 513 CA LEU A 51 -9.206 -10.772 -4.974 1.00 0.00 C ATOM 514 C LEU A 51 -8.644 -9.386 -4.701 1.00 0.00 C ATOM 515 O LEU A 51 -7.460 -9.143 -4.579 1.00 0.00 O ATOM 516 CB LEU A 51 -9.917 -10.722 -6.307 1.00 0.00 C ATOM 517 CG LEU A 51 -8.958 -10.884 -7.508 1.00 0.00 C ATOM 518 CD1 LEU A 51 -7.674 -10.067 -7.318 1.00 0.00 C ATOM 519 CD2 LEU A 51 -8.594 -12.361 -7.699 1.00 0.00 C ATOM 0 H LEU A 51 -11.104 -11.518 -4.429 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.397 -11.500 -4.922 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.670 -11.510 -6.341 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.445 -9.773 -6.396 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.475 -10.513 -8.393 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.024 -10.205 -8.182 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.926 -9.011 -7.219 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.159 -10.403 -6.418 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.918 -12.462 -8.548 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.105 -12.735 -6.799 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.500 -12.938 -7.886 1.00 0.00 H new ATOM 531 N TYR A 52 -9.566 -8.502 -4.629 1.00 0.00 N ATOM 532 CA TYR A 52 -9.315 -7.075 -4.388 1.00 0.00 C ATOM 533 C TYR A 52 -8.430 -6.994 -3.154 1.00 0.00 C ATOM 534 O TYR A 52 -7.530 -6.184 -3.044 1.00 0.00 O ATOM 535 CB TYR A 52 -10.688 -6.410 -4.179 1.00 0.00 C ATOM 536 CG TYR A 52 -10.847 -6.021 -2.712 1.00 0.00 C ATOM 537 CD1 TYR A 52 -10.410 -4.770 -2.262 1.00 0.00 C ATOM 538 CD2 TYR A 52 -11.402 -6.934 -1.804 1.00 0.00 C ATOM 539 CE1 TYR A 52 -10.532 -4.426 -0.910 1.00 0.00 C ATOM 540 CE2 TYR A 52 -11.529 -6.589 -0.452 1.00 0.00 C ATOM 541 CZ TYR A 52 -11.093 -5.335 -0.006 1.00 0.00 C ATOM 542 OH TYR A 52 -11.213 -4.997 1.326 1.00 0.00 O ATOM 0 H TYR A 52 -10.555 -8.726 -4.735 1.00 0.00 H new ATOM 0 HA TYR A 52 -8.811 -6.565 -5.209 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -10.776 -5.527 -4.812 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -11.484 -7.094 -4.473 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -9.977 -4.068 -2.959 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -11.732 -7.904 -2.147 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -10.193 -3.460 -0.565 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -11.963 -7.290 0.246 1.00 0.00 H new ATOM 0 HH TYR A 52 -11.624 -5.740 1.816 1.00 0.00 H new ATOM 552 N LYS A 53 -8.693 -7.878 -2.237 1.00 0.00 N ATOM 553 CA LYS A 53 -7.897 -7.944 -0.992 1.00 0.00 C ATOM 554 C LYS A 53 -6.651 -8.754 -1.299 1.00 0.00 C ATOM 555 O LYS A 53 -5.646 -8.662 -0.623 1.00 0.00 O ATOM 556 CB LYS A 53 -8.729 -8.616 0.123 1.00 0.00 C ATOM 557 CG LYS A 53 -8.404 -7.989 1.488 1.00 0.00 C ATOM 558 CD LYS A 53 -6.908 -8.142 1.787 1.00 0.00 C ATOM 559 CE LYS A 53 -6.658 -7.925 3.281 1.00 0.00 C ATOM 560 NZ LYS A 53 -5.216 -8.157 3.580 1.00 0.00 N ATOM 0 H LYS A 53 -9.441 -8.569 -2.302 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.622 -6.948 -0.645 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.792 -8.505 -0.091 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.519 -9.685 0.148 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.678 -6.934 1.488 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.992 -8.471 2.269 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.567 -9.134 1.491 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.335 -7.421 1.204 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.941 -6.911 3.565 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.276 -8.605 3.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.044 -8.010 4.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.961 -9.132 3.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.636 -7.491 3.031 1.00 0.00 H new ATOM 574 N GLU A 54 -6.706 -9.546 -2.334 1.00 0.00 N ATOM 575 CA GLU A 54 -5.496 -10.357 -2.691 1.00 0.00 C ATOM 576 C GLU A 54 -4.552 -9.492 -3.503 1.00 0.00 C ATOM 577 O GLU A 54 -3.349 -9.658 -3.476 1.00 0.00 O ATOM 578 CB GLU A 54 -5.871 -11.595 -3.504 1.00 0.00 C ATOM 579 CG GLU A 54 -6.878 -12.446 -2.726 1.00 0.00 C ATOM 580 CD GLU A 54 -6.960 -13.841 -3.349 1.00 0.00 C ATOM 581 OE1 GLU A 54 -5.961 -14.541 -3.320 1.00 0.00 O ATOM 582 OE2 GLU A 54 -8.019 -14.185 -3.845 1.00 0.00 O ATOM 0 H GLU A 54 -7.517 -9.670 -2.941 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.019 -10.691 -1.770 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.298 -11.296 -4.461 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.978 -12.181 -3.722 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.576 -12.520 -1.681 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.859 -11.971 -2.741 1.00 0.00 H new ATOM 589 N ALA A 55 -5.095 -8.562 -4.217 1.00 0.00 N ATOM 590 CA ALA A 55 -4.241 -7.659 -5.033 1.00 0.00 C ATOM 591 C ALA A 55 -3.213 -7.002 -4.112 1.00 0.00 C ATOM 592 O ALA A 55 -2.075 -6.795 -4.482 1.00 0.00 O ATOM 593 CB ALA A 55 -5.114 -6.589 -5.698 1.00 0.00 C ATOM 0 H ALA A 55 -6.097 -8.382 -4.275 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.729 -8.224 -5.812 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.487 -5.928 -6.296 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.851 -7.069 -6.341 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.625 -6.008 -4.930 1.00 0.00 H new ATOM 599 N THR A 56 -3.603 -6.692 -2.905 1.00 0.00 N ATOM 600 CA THR A 56 -2.651 -6.075 -1.955 1.00 0.00 C ATOM 601 C THR A 56 -1.758 -7.183 -1.414 1.00 0.00 C ATOM 602 O THR A 56 -0.590 -6.995 -1.139 1.00 0.00 O ATOM 603 CB THR A 56 -3.447 -5.416 -0.818 1.00 0.00 C ATOM 604 OG1 THR A 56 -4.744 -5.992 -0.763 1.00 0.00 O ATOM 605 CG2 THR A 56 -3.575 -3.906 -1.053 1.00 0.00 C ATOM 0 H THR A 56 -4.544 -6.842 -2.541 1.00 0.00 H new ATOM 0 HA THR A 56 -2.039 -5.313 -2.438 1.00 0.00 H new ATOM 0 HB THR A 56 -2.920 -5.581 0.122 1.00 0.00 H new ATOM 0 HG1 THR A 56 -4.667 -6.957 -0.610 1.00 0.00 H new ATOM 0 HG21 THR A 56 -4.142 -3.458 -0.237 1.00 0.00 H new ATOM 0 HG22 THR A 56 -2.582 -3.459 -1.094 1.00 0.00 H new ATOM 0 HG23 THR A 56 -4.092 -3.727 -1.996 1.00 0.00 H new ATOM 613 N SER A 57 -2.317 -8.339 -1.285 1.00 0.00 N ATOM 614 CA SER A 57 -1.538 -9.499 -0.787 1.00 0.00 C ATOM 615 C SER A 57 -0.445 -9.806 -1.804 1.00 0.00 C ATOM 616 O SER A 57 0.561 -10.410 -1.494 1.00 0.00 O ATOM 617 CB SER A 57 -2.456 -10.713 -0.634 1.00 0.00 C ATOM 618 OG SER A 57 -1.792 -11.711 0.130 1.00 0.00 O ATOM 0 H SER A 57 -3.293 -8.538 -1.505 1.00 0.00 H new ATOM 0 HA SER A 57 -1.099 -9.270 0.184 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.385 -10.421 -0.144 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.723 -11.107 -1.614 1.00 0.00 H new ATOM 0 HG SER A 57 -2.378 -12.490 0.231 1.00 0.00 H new ATOM 624 N THR A 58 -0.637 -9.377 -3.023 1.00 0.00 N ATOM 625 CA THR A 58 0.379 -9.621 -4.069 1.00 0.00 C ATOM 626 C THR A 58 1.722 -9.126 -3.548 1.00 0.00 C ATOM 627 O THR A 58 2.774 -9.456 -4.060 1.00 0.00 O ATOM 628 CB THR A 58 0.005 -8.850 -5.339 1.00 0.00 C ATOM 629 OG1 THR A 58 -1.344 -9.134 -5.684 1.00 0.00 O ATOM 630 CG2 THR A 58 0.927 -9.269 -6.484 1.00 0.00 C ATOM 0 H THR A 58 -1.463 -8.865 -3.334 1.00 0.00 H new ATOM 0 HA THR A 58 0.432 -10.684 -4.305 1.00 0.00 H new ATOM 0 HB THR A 58 0.117 -7.780 -5.161 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.585 -8.640 -6.495 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.659 -8.719 -7.386 1.00 0.00 H new ATOM 0 HG22 THR A 58 1.961 -9.048 -6.218 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.819 -10.338 -6.665 1.00 0.00 H new ATOM 638 N PHE A 59 1.676 -8.330 -2.519 1.00 0.00 N ATOM 639 CA PHE A 59 2.920 -7.783 -1.920 1.00 0.00 C ATOM 640 C PHE A 59 3.495 -8.798 -0.953 1.00 0.00 C ATOM 641 O PHE A 59 4.667 -9.120 -0.961 1.00 0.00 O ATOM 642 CB PHE A 59 2.547 -6.520 -1.152 1.00 0.00 C ATOM 643 CG PHE A 59 3.789 -5.717 -0.846 1.00 0.00 C ATOM 644 CD1 PHE A 59 4.341 -4.880 -1.824 1.00 0.00 C ATOM 645 CD2 PHE A 59 4.390 -5.810 0.415 1.00 0.00 C ATOM 646 CE1 PHE A 59 5.492 -4.136 -1.541 1.00 0.00 C ATOM 647 CE2 PHE A 59 5.542 -5.066 0.698 1.00 0.00 C ATOM 648 CZ PHE A 59 6.093 -4.230 -0.280 1.00 0.00 C ATOM 0 H PHE A 59 0.815 -8.031 -2.061 1.00 0.00 H new ATOM 0 HA PHE A 59 3.656 -7.563 -2.693 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.851 -5.920 -1.738 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.037 -6.785 -0.226 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.878 -4.809 -2.797 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.965 -6.456 1.169 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.916 -3.490 -2.295 1.00 0.00 H new ATOM 0 HE2 PHE A 59 6.005 -5.137 1.671 1.00 0.00 H new ATOM 0 HZ PHE A 59 6.982 -3.657 -0.062 1.00 0.00 H new ATOM 658 N THR A 60 2.650 -9.286 -0.122 1.00 0.00 N ATOM 659 CA THR A 60 3.059 -10.290 0.898 1.00 0.00 C ATOM 660 C THR A 60 3.105 -11.670 0.240 1.00 0.00 C ATOM 661 O THR A 60 3.770 -12.576 0.700 1.00 0.00 O ATOM 662 CB THR A 60 2.046 -10.233 2.065 1.00 0.00 C ATOM 663 OG1 THR A 60 2.661 -9.617 3.186 1.00 0.00 O ATOM 664 CG2 THR A 60 1.550 -11.627 2.470 1.00 0.00 C ATOM 0 H THR A 60 1.662 -9.033 -0.095 1.00 0.00 H new ATOM 0 HA THR A 60 4.052 -10.079 1.296 1.00 0.00 H new ATOM 0 HB THR A 60 1.184 -9.657 1.728 1.00 0.00 H new ATOM 0 HG1 THR A 60 2.022 -9.577 3.928 1.00 0.00 H new ATOM 0 HG21 THR A 60 0.841 -11.536 3.293 1.00 0.00 H new ATOM 0 HG22 THR A 60 1.060 -12.100 1.619 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.396 -12.237 2.786 1.00 0.00 H new ATOM 672 N ASN A 61 2.399 -11.824 -0.830 1.00 0.00 N ATOM 673 CA ASN A 61 2.380 -13.134 -1.540 1.00 0.00 C ATOM 674 C ASN A 61 3.798 -13.490 -1.977 1.00 0.00 C ATOM 675 O ASN A 61 4.067 -14.584 -2.432 1.00 0.00 O ATOM 676 CB ASN A 61 1.489 -13.025 -2.774 1.00 0.00 C ATOM 677 CG ASN A 61 1.246 -14.419 -3.355 1.00 0.00 C ATOM 678 OD1 ASN A 61 1.690 -15.405 -2.803 1.00 0.00 O ATOM 679 ND2 ASN A 61 0.554 -14.542 -4.455 1.00 0.00 N ATOM 0 H ASN A 61 1.825 -11.095 -1.255 1.00 0.00 H new ATOM 0 HA ASN A 61 1.994 -13.906 -0.874 1.00 0.00 H new ATOM 0 HB2 ASN A 61 0.540 -12.559 -2.510 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.961 -12.386 -3.520 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.386 -15.467 -4.851 1.00 0.00 H new ATOM 0 HD22 ASN A 61 0.181 -13.713 -4.918 1.00 0.00 H new ATOM 686 N ILE A 62 4.702 -12.562 -1.843 1.00 0.00 N ATOM 687 CA ILE A 62 6.125 -12.805 -2.245 1.00 0.00 C ATOM 688 C ILE A 62 6.937 -13.047 -0.980 1.00 0.00 C ATOM 689 O ILE A 62 8.021 -13.595 -1.006 1.00 0.00 O ATOM 690 CB ILE A 62 6.666 -11.566 -2.998 1.00 0.00 C ATOM 691 CG1 ILE A 62 5.499 -10.824 -3.658 1.00 0.00 C ATOM 692 CG2 ILE A 62 7.667 -11.995 -4.078 1.00 0.00 C ATOM 693 CD1 ILE A 62 6.036 -9.642 -4.467 1.00 0.00 C ATOM 0 H ILE A 62 4.518 -11.632 -1.468 1.00 0.00 H new ATOM 0 HA ILE A 62 6.197 -13.670 -2.904 1.00 0.00 H new ATOM 0 HB ILE A 62 7.169 -10.912 -2.286 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.945 -11.501 -4.308 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.802 -10.471 -2.898 1.00 0.00 H new ATOM 0 HG21 ILE A 62 8.039 -11.113 -4.600 1.00 0.00 H new ATOM 0 HG22 ILE A 62 8.501 -12.521 -3.613 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.173 -12.656 -4.790 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.205 -9.115 -4.936 1.00 0.00 H new ATOM 0 HD12 ILE A 62 6.571 -8.961 -3.805 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.715 -10.007 -5.237 1.00 0.00 H new ATOM 705 N THR A 63 6.392 -12.639 0.126 1.00 0.00 N ATOM 706 CA THR A 63 7.075 -12.823 1.442 1.00 0.00 C ATOM 707 C THR A 63 6.338 -13.924 2.198 1.00 0.00 C ATOM 708 O THR A 63 6.826 -14.481 3.162 1.00 0.00 O ATOM 709 CB THR A 63 7.044 -11.489 2.198 1.00 0.00 C ATOM 710 OG1 THR A 63 8.285 -10.824 2.015 1.00 0.00 O ATOM 711 CG2 THR A 63 6.793 -11.679 3.702 1.00 0.00 C ATOM 0 H THR A 63 5.485 -12.176 0.180 1.00 0.00 H new ATOM 0 HA THR A 63 8.118 -13.117 1.325 1.00 0.00 H new ATOM 0 HB THR A 63 6.221 -10.898 1.796 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.272 -9.969 2.494 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.780 -10.707 4.194 1.00 0.00 H new ATOM 0 HG22 THR A 63 5.834 -12.174 3.851 1.00 0.00 H new ATOM 0 HG23 THR A 63 7.587 -12.291 4.129 1.00 0.00 H new ATOM 719 N TYR A 64 5.161 -14.234 1.752 1.00 0.00 N ATOM 720 CA TYR A 64 4.358 -15.298 2.418 1.00 0.00 C ATOM 721 C TYR A 64 5.203 -16.563 2.587 1.00 0.00 C ATOM 722 O TYR A 64 4.810 -17.502 3.250 1.00 0.00 O ATOM 723 CB TYR A 64 3.102 -15.609 1.583 1.00 0.00 C ATOM 724 CG TYR A 64 3.436 -16.523 0.401 1.00 0.00 C ATOM 725 CD1 TYR A 64 4.527 -16.249 -0.457 1.00 0.00 C ATOM 726 CD2 TYR A 64 2.642 -17.656 0.166 1.00 0.00 C ATOM 727 CE1 TYR A 64 4.805 -17.106 -1.527 1.00 0.00 C ATOM 728 CE2 TYR A 64 2.928 -18.507 -0.908 1.00 0.00 C ATOM 729 CZ TYR A 64 4.007 -18.233 -1.754 1.00 0.00 C ATOM 730 OH TYR A 64 4.285 -19.074 -2.811 1.00 0.00 O ATOM 0 H TYR A 64 4.712 -13.795 0.948 1.00 0.00 H new ATOM 0 HA TYR A 64 4.050 -14.946 3.402 1.00 0.00 H new ATOM 0 HB2 TYR A 64 2.351 -16.085 2.214 1.00 0.00 H new ATOM 0 HB3 TYR A 64 2.667 -14.680 1.216 1.00 0.00 H new ATOM 0 HD1 TYR A 64 5.144 -15.379 -0.286 1.00 0.00 H new ATOM 0 HD2 TYR A 64 1.807 -17.872 0.816 1.00 0.00 H new ATOM 0 HE1 TYR A 64 5.639 -16.897 -2.181 1.00 0.00 H new ATOM 0 HE2 TYR A 64 2.314 -19.378 -1.084 1.00 0.00 H new ATOM 0 HH TYR A 64 3.636 -19.808 -2.825 1.00 0.00 H new ATOM 740 N ARG A 65 6.356 -16.595 1.989 1.00 0.00 N ATOM 741 CA ARG A 65 7.222 -17.802 2.111 1.00 0.00 C ATOM 742 C ARG A 65 7.643 -17.979 3.572 1.00 0.00 C ATOM 743 O ARG A 65 8.333 -18.918 3.919 1.00 0.00 O ATOM 744 CB ARG A 65 8.471 -17.632 1.237 1.00 0.00 C ATOM 745 CG ARG A 65 8.064 -17.363 -0.220 1.00 0.00 C ATOM 746 CD ARG A 65 7.652 -18.672 -0.908 1.00 0.00 C ATOM 747 NE ARG A 65 7.513 -18.434 -2.372 1.00 0.00 N ATOM 748 CZ ARG A 65 7.461 -19.446 -3.196 1.00 0.00 C ATOM 749 NH1 ARG A 65 7.529 -20.666 -2.735 1.00 0.00 N ATOM 750 NH2 ARG A 65 7.343 -19.238 -4.478 1.00 0.00 N ATOM 0 H ARG A 65 6.739 -15.840 1.420 1.00 0.00 H new ATOM 0 HA ARG A 65 6.667 -18.680 1.781 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.077 -16.807 1.612 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.087 -18.530 1.291 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.237 -16.653 -0.249 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.895 -16.907 -0.759 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.398 -19.445 -0.722 1.00 0.00 H new ATOM 0 HD3 ARG A 65 6.710 -19.033 -0.495 1.00 0.00 H new ATOM 0 HE ARG A 65 7.458 -17.481 -2.731 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.623 -20.828 -1.732 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.488 -21.457 -3.378 1.00 0.00 H new ATOM 0 HH21 ARG A 65 7.291 -18.285 -4.837 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.302 -20.029 -5.121 1.00 0.00 H new ATOM 764 N GLY A 66 7.231 -17.088 4.430 1.00 0.00 N ATOM 765 CA GLY A 66 7.605 -17.207 5.868 1.00 0.00 C ATOM 766 C GLY A 66 9.112 -17.443 5.989 1.00 0.00 C ATOM 767 O GLY A 66 9.611 -17.799 7.039 1.00 0.00 O ATOM 0 H GLY A 66 6.651 -16.282 4.198 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.325 -16.300 6.403 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.060 -18.030 6.329 1.00 0.00 H new ATOM 771 N THR A 67 9.841 -17.253 4.921 1.00 0.00 N ATOM 772 CA THR A 67 11.313 -17.469 4.967 1.00 0.00 C ATOM 773 C THR A 67 11.897 -16.819 6.224 1.00 0.00 C ATOM 774 O THR A 67 11.454 -15.735 6.566 1.00 0.00 O ATOM 775 CB THR A 67 11.957 -16.846 3.726 1.00 0.00 C ATOM 776 OG1 THR A 67 13.343 -17.162 3.704 1.00 0.00 O ATOM 777 CG2 THR A 67 11.778 -15.328 3.763 1.00 0.00 C ATOM 778 OXT THR A 67 12.776 -17.417 6.823 1.00 0.00 O ATOM 0 H THR A 67 9.476 -16.956 4.016 1.00 0.00 H new ATOM 0 HA THR A 67 11.518 -18.539 4.990 1.00 0.00 H new ATOM 0 HB THR A 67 11.479 -17.243 2.830 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.756 -16.765 2.909 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.237 -14.886 2.879 1.00 0.00 H new ATOM 0 HG22 THR A 67 10.715 -15.087 3.779 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.254 -14.927 4.658 1.00 0.00 H new TER 786 THR A 67