USER MOD reduce.3.24.130724 H: found=0, std=0, add=369, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 364 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 1 PHE N :NH3+ 148:sc= 0.913 (180deg=0.25) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 4 ASN : amide:sc= -0.328 K(o=-0.33,f=-2.3!) USER MOD Single : A 13 HIS : no HD1:sc=-0.00839 X(o=-0.0084,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc=-0.00406 K(o=-0.0041,f=-1.3) USER MOD Single : A 22 THR OG1 : rot 72:sc= 0.613 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 1.67 K(o=1.7,f=-5.7!) USER MOD Single : A 28 MET CE :methyl 162:sc= -0.0612 (180deg=-0.475) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -160:sc= -0.0293 (180deg=-0.263) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 ASN : amide:sc= -0.19 K(o=-0.19,f=-1) USER MOD Single : A 42 GLN : amide:sc= -0.147! K(o=-0.15!,f=-0.74) USER MOD Single : A 44 HIS : no HD1:sc= -1.32 X(o=-1.3,f=-1.6) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.0053) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 -15.351 5.749 4.272 1.00 0.00 N ATOM 2 CA PHE A 1 -13.978 5.242 4.097 1.00 0.00 C ATOM 3 C PHE A 1 -13.241 6.219 3.200 1.00 0.00 C ATOM 4 O PHE A 1 -13.631 6.354 2.049 1.00 0.00 O ATOM 5 CB PHE A 1 -13.977 3.807 3.574 1.00 0.00 C ATOM 6 CG PHE A 1 -15.280 3.049 3.756 1.00 0.00 C ATOM 7 CD1 PHE A 1 -15.620 2.529 5.021 1.00 0.00 C ATOM 8 CD2 PHE A 1 -16.170 2.905 2.676 1.00 0.00 C ATOM 9 CE1 PHE A 1 -16.856 1.887 5.210 1.00 0.00 C ATOM 10 CE2 PHE A 1 -17.404 2.259 2.865 1.00 0.00 C ATOM 11 CZ PHE A 1 -17.750 1.755 4.133 1.00 0.00 C ATOM 0 H1 PHE A 1 -16.006 4.948 4.380 1.00 0.00 H new ATOM 0 H2 PHE A 1 -15.394 6.348 5.121 1.00 0.00 H new ATOM 0 H3 PHE A 1 -15.623 6.309 3.439 1.00 0.00 H new ATOM 0 HA PHE A 1 -13.456 5.185 5.052 1.00 0.00 H new ATOM 0 HB2 PHE A 1 -13.732 3.825 2.512 1.00 0.00 H new ATOM 0 HB3 PHE A 1 -13.182 3.255 4.076 1.00 0.00 H new ATOM 0 HD1 PHE A 1 -14.930 2.624 5.846 1.00 0.00 H new ATOM 0 HD2 PHE A 1 -15.905 3.290 1.702 1.00 0.00 H new ATOM 0 HE1 PHE A 1 -17.119 1.495 6.182 1.00 0.00 H new ATOM 0 HE2 PHE A 1 -18.088 2.149 2.036 1.00 0.00 H new ATOM 0 HZ PHE A 1 -18.702 1.267 4.279 1.00 0.00 H new ATOM 23 N GLN A 2 -12.295 6.983 3.767 1.00 0.00 N ATOM 24 CA GLN A 2 -11.184 7.669 3.102 1.00 0.00 C ATOM 25 C GLN A 2 -10.365 8.323 4.227 1.00 0.00 C ATOM 26 O GLN A 2 -9.361 7.790 4.701 1.00 0.00 O ATOM 27 CB GLN A 2 -11.668 8.704 2.061 1.00 0.00 C ATOM 28 CG GLN A 2 -11.523 8.249 0.601 1.00 0.00 C ATOM 29 CD GLN A 2 -11.784 9.371 -0.402 1.00 0.00 C ATOM 30 OE1 GLN A 2 -12.406 10.385 -0.101 1.00 0.00 O ATOM 31 NE2 GLN A 2 -11.295 9.213 -1.625 1.00 0.00 N ATOM 0 H GLN A 2 -12.289 7.147 4.774 1.00 0.00 H new ATOM 0 HA GLN A 2 -10.580 6.966 2.528 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -12.716 8.934 2.255 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.108 9.629 2.198 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -10.518 7.857 0.446 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -12.217 7.430 0.411 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -10.780 8.365 -1.863 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.434 9.939 -2.328 1.00 0.00 H new ATOM 40 N GLY A 3 -10.880 9.455 4.722 1.00 0.00 N ATOM 41 CA GLY A 3 -10.283 10.333 5.725 1.00 0.00 C ATOM 42 C GLY A 3 -10.458 9.813 7.150 1.00 0.00 C ATOM 43 O GLY A 3 -10.923 10.536 8.024 1.00 0.00 O ATOM 0 H GLY A 3 -11.787 9.802 4.408 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -9.220 10.448 5.514 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -10.732 11.323 5.647 1.00 0.00 H new ATOM 47 N ASN A 4 -10.102 8.544 7.356 1.00 0.00 N ATOM 48 CA ASN A 4 -9.853 7.909 8.646 1.00 0.00 C ATOM 49 C ASN A 4 -8.708 6.894 8.500 1.00 0.00 C ATOM 50 O ASN A 4 -7.709 7.034 9.198 1.00 0.00 O ATOM 51 CB ASN A 4 -11.142 7.322 9.272 1.00 0.00 C ATOM 52 CG ASN A 4 -11.291 7.598 10.769 1.00 0.00 C ATOM 53 OD1 ASN A 4 -10.565 8.369 11.377 1.00 0.00 O ATOM 54 ND2 ASN A 4 -12.249 6.944 11.413 1.00 0.00 N ATOM 0 H ASN A 4 -9.973 7.896 6.579 1.00 0.00 H new ATOM 0 HA ASN A 4 -9.531 8.663 9.364 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -12.006 7.733 8.750 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -11.154 6.244 9.109 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -12.378 7.086 12.415 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -12.856 6.300 10.906 1.00 0.00 H new ATOM 61 N PRO A 5 -8.769 5.931 7.552 1.00 0.00 N ATOM 62 CA PRO A 5 -7.606 5.123 7.179 1.00 0.00 C ATOM 63 C PRO A 5 -6.411 5.941 6.654 1.00 0.00 C ATOM 64 O PRO A 5 -5.277 5.507 6.850 1.00 0.00 O ATOM 65 CB PRO A 5 -8.125 4.106 6.158 1.00 0.00 C ATOM 66 CG PRO A 5 -9.484 4.591 5.708 1.00 0.00 C ATOM 67 CD PRO A 5 -9.965 5.439 6.873 1.00 0.00 C ATOM 0 HA PRO A 5 -7.188 4.633 8.059 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -7.443 4.027 5.311 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -8.197 3.114 6.603 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -9.418 5.173 4.789 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -10.161 3.760 5.511 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.580 6.268 6.521 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -10.582 4.850 7.552 1.00 0.00 H new ATOM 75 N CYS A 6 -6.622 7.102 6.011 1.00 0.00 N ATOM 76 CA CYS A 6 -5.560 7.864 5.346 1.00 0.00 C ATOM 77 C CYS A 6 -5.339 9.251 5.970 1.00 0.00 C ATOM 78 O CYS A 6 -6.058 10.194 5.643 1.00 0.00 O ATOM 79 CB CYS A 6 -5.865 7.993 3.844 1.00 0.00 C ATOM 80 SG CYS A 6 -5.131 6.742 2.753 1.00 0.00 S ATOM 0 H CYS A 6 -7.541 7.538 5.940 1.00 0.00 H new ATOM 0 HA CYS A 6 -4.633 7.308 5.485 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -6.947 7.966 3.713 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.528 8.975 3.511 1.00 0.00 H new ATOM 85 N GLU A 7 -4.282 9.386 6.783 1.00 0.00 N ATOM 86 CA GLU A 7 -3.695 10.672 7.205 1.00 0.00 C ATOM 87 C GLU A 7 -2.176 10.758 6.923 1.00 0.00 C ATOM 88 O GLU A 7 -1.544 11.760 7.250 1.00 0.00 O ATOM 89 CB GLU A 7 -4.004 10.923 8.699 1.00 0.00 C ATOM 90 CG GLU A 7 -5.041 12.037 8.888 1.00 0.00 C ATOM 91 CD GLU A 7 -5.406 12.212 10.365 1.00 0.00 C ATOM 92 OE1 GLU A 7 -6.326 11.496 10.818 1.00 0.00 O ATOM 93 OE2 GLU A 7 -4.755 13.055 11.025 1.00 0.00 O ATOM 0 H GLU A 7 -3.795 8.582 7.178 1.00 0.00 H new ATOM 0 HA GLU A 7 -4.156 11.458 6.607 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.372 10.003 9.153 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.085 11.190 9.220 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -4.647 12.974 8.495 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.938 11.803 8.315 1.00 0.00 H new ATOM 100 N CYS A 8 -1.572 9.707 6.351 1.00 0.00 N ATOM 101 CA CYS A 8 -0.118 9.517 6.293 1.00 0.00 C ATOM 102 C CYS A 8 0.612 10.390 5.255 1.00 0.00 C ATOM 103 O CYS A 8 -0.027 10.946 4.359 1.00 0.00 O ATOM 104 CB CYS A 8 0.139 8.037 6.025 1.00 0.00 C ATOM 105 SG CYS A 8 0.207 7.075 7.546 1.00 0.00 S ATOM 0 H CYS A 8 -2.092 8.950 5.907 1.00 0.00 H new ATOM 0 HA CYS A 8 0.293 9.840 7.249 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.649 7.643 5.382 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.078 7.925 5.483 1.00 0.00 H new ATOM 110 N PRO A 9 1.960 10.495 5.336 1.00 0.00 N ATOM 111 CA PRO A 9 2.728 11.326 4.426 1.00 0.00 C ATOM 112 C PRO A 9 2.943 10.610 3.088 1.00 0.00 C ATOM 113 O PRO A 9 2.800 9.389 2.963 1.00 0.00 O ATOM 114 CB PRO A 9 4.063 11.564 5.138 1.00 0.00 C ATOM 115 CG PRO A 9 4.292 10.245 5.871 1.00 0.00 C ATOM 116 CD PRO A 9 2.880 9.778 6.226 1.00 0.00 C ATOM 0 HA PRO A 9 2.217 12.261 4.195 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.865 11.780 4.432 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.010 12.407 5.828 1.00 0.00 H new ATOM 0 HG2 PRO A 9 4.807 9.520 5.240 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.904 10.383 6.762 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.785 8.700 6.094 1.00 0.00 H new ATOM 0 HD3 PRO A 9 2.653 9.992 7.270 1.00 0.00 H new ATOM 124 N ARG A 10 3.401 11.368 2.087 1.00 0.00 N ATOM 125 CA ARG A 10 3.758 10.827 0.775 1.00 0.00 C ATOM 126 C ARG A 10 5.203 10.310 0.778 1.00 0.00 C ATOM 127 O ARG A 10 5.969 10.579 -0.138 1.00 0.00 O ATOM 128 CB ARG A 10 3.520 11.897 -0.307 1.00 0.00 C ATOM 129 CG ARG A 10 2.114 12.526 -0.224 1.00 0.00 C ATOM 130 CD ARG A 10 1.753 13.306 -1.494 1.00 0.00 C ATOM 131 NE ARG A 10 1.558 12.406 -2.646 1.00 0.00 N ATOM 132 CZ ARG A 10 0.437 11.745 -2.973 1.00 0.00 C ATOM 133 NH1 ARG A 10 -0.695 11.930 -2.290 1.00 0.00 N ATOM 134 NH2 ARG A 10 0.455 10.887 -3.993 1.00 0.00 N ATOM 0 H ARG A 10 3.534 12.376 2.165 1.00 0.00 H new ATOM 0 HA ARG A 10 3.121 9.973 0.545 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.271 12.681 -0.208 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.655 11.449 -1.291 1.00 0.00 H new ATOM 0 HG2 ARG A 10 1.376 11.741 -0.059 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.067 13.194 0.636 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.843 13.881 -1.322 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.544 14.021 -1.720 1.00 0.00 H new ATOM 0 HE ARG A 10 2.361 12.272 -3.260 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.717 12.582 -1.506 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.538 11.419 -2.552 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.316 10.737 -4.518 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.393 10.380 -4.248 1.00 0.00 H new ATOM 148 N ALA A 11 5.595 9.591 1.834 1.00 0.00 N ATOM 149 CA ALA A 11 6.835 8.874 1.952 1.00 0.00 C ATOM 150 C ALA A 11 6.874 7.716 0.958 1.00 0.00 C ATOM 151 O ALA A 11 5.973 6.878 0.968 1.00 0.00 O ATOM 152 CB ALA A 11 7.027 8.416 3.399 1.00 0.00 C ATOM 0 H ALA A 11 5.013 9.499 2.666 1.00 0.00 H new ATOM 0 HA ALA A 11 7.669 9.529 1.703 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.968 7.872 3.487 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.048 9.285 4.056 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.203 7.763 3.686 1.00 0.00 H new ATOM 158 N LEU A 12 7.909 7.658 0.114 1.00 0.00 N ATOM 159 CA LEU A 12 8.108 6.643 -0.916 1.00 0.00 C ATOM 160 C LEU A 12 8.801 5.392 -0.353 1.00 0.00 C ATOM 161 O LEU A 12 9.674 4.799 -0.991 1.00 0.00 O ATOM 162 CB LEU A 12 8.964 7.306 -2.014 1.00 0.00 C ATOM 163 CG LEU A 12 8.219 8.143 -3.063 1.00 0.00 C ATOM 164 CD1 LEU A 12 7.444 7.254 -4.049 1.00 0.00 C ATOM 165 CD2 LEU A 12 7.289 9.214 -2.497 1.00 0.00 C ATOM 0 H LEU A 12 8.660 8.348 0.134 1.00 0.00 H new ATOM 0 HA LEU A 12 7.152 6.301 -1.312 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.701 7.947 -1.529 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.515 6.523 -2.534 1.00 0.00 H new ATOM 0 HG LEU A 12 9.013 8.677 -3.585 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.929 7.881 -4.777 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.139 6.593 -4.567 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.713 6.657 -3.503 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.810 9.750 -3.316 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.526 8.743 -1.877 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.866 9.915 -1.893 1.00 0.00 H new ATOM 177 N HIS A 13 8.387 4.926 0.826 1.00 0.00 N ATOM 178 CA HIS A 13 8.842 3.644 1.353 1.00 0.00 C ATOM 179 C HIS A 13 8.062 2.539 0.639 1.00 0.00 C ATOM 180 O HIS A 13 7.186 1.941 1.241 1.00 0.00 O ATOM 181 CB HIS A 13 8.667 3.594 2.882 1.00 0.00 C ATOM 182 CG HIS A 13 9.438 4.649 3.640 1.00 0.00 C ATOM 183 ND1 HIS A 13 9.060 5.203 4.843 1.00 0.00 N ATOM 184 CD2 HIS A 13 10.631 5.218 3.278 1.00 0.00 C ATOM 185 CE1 HIS A 13 10.005 6.096 5.190 1.00 0.00 C ATOM 186 NE2 HIS A 13 10.974 6.147 4.263 1.00 0.00 N ATOM 0 H HIS A 13 7.735 5.421 1.434 1.00 0.00 H new ATOM 0 HA HIS A 13 9.906 3.503 1.165 1.00 0.00 H new ATOM 0 HB2 HIS A 13 7.608 3.699 3.117 1.00 0.00 H new ATOM 0 HB3 HIS A 13 8.977 2.611 3.238 1.00 0.00 H new ATOM 0 HD2 HIS A 13 11.203 4.989 2.391 1.00 0.00 H new ATOM 0 HE1 HIS A 13 9.986 6.690 6.091 1.00 0.00 H new ATOM 0 HE2 HIS A 13 11.799 6.747 4.275 1.00 0.00 H new ATOM 194 N ARG A 14 8.330 2.305 -0.650 1.00 0.00 N ATOM 195 CA ARG A 14 7.563 1.392 -1.503 1.00 0.00 C ATOM 196 C ARG A 14 7.443 0.001 -0.865 1.00 0.00 C ATOM 197 O ARG A 14 8.456 -0.568 -0.458 1.00 0.00 O ATOM 198 CB ARG A 14 8.231 1.318 -2.885 1.00 0.00 C ATOM 199 CG ARG A 14 8.011 2.595 -3.713 1.00 0.00 C ATOM 200 CD ARG A 14 6.706 2.522 -4.516 1.00 0.00 C ATOM 201 NE ARG A 14 6.856 1.610 -5.666 1.00 0.00 N ATOM 202 CZ ARG A 14 7.314 2.001 -6.879 1.00 0.00 C ATOM 203 NH1 ARG A 14 7.545 3.288 -7.150 1.00 0.00 N ATOM 204 NH2 ARG A 14 7.583 1.167 -7.875 1.00 0.00 N ATOM 0 H ARG A 14 9.103 2.755 -1.140 1.00 0.00 H new ATOM 0 HA ARG A 14 6.549 1.774 -1.616 1.00 0.00 H new ATOM 0 HB2 ARG A 14 9.301 1.150 -2.760 1.00 0.00 H new ATOM 0 HB3 ARG A 14 7.835 0.462 -3.431 1.00 0.00 H new ATOM 0 HG2 ARG A 14 7.985 3.460 -3.051 1.00 0.00 H new ATOM 0 HG3 ARG A 14 8.851 2.739 -4.393 1.00 0.00 H new ATOM 0 HD2 ARG A 14 5.896 2.176 -3.874 1.00 0.00 H new ATOM 0 HD3 ARG A 14 6.432 3.517 -4.867 1.00 0.00 H new ATOM 0 HE ARG A 14 6.601 0.631 -5.540 1.00 0.00 H new ATOM 0 HH11 ARG A 14 7.377 3.998 -6.437 1.00 0.00 H new ATOM 0 HH12 ARG A 14 7.890 3.561 -8.070 1.00 0.00 H new ATOM 0 HH21 ARG A 14 7.447 0.164 -7.751 1.00 0.00 H new ATOM 0 HH22 ARG A 14 7.926 1.529 -8.765 1.00 0.00 H new ATOM 218 N VAL A 15 6.226 -0.559 -0.797 1.00 0.00 N ATOM 219 CA VAL A 15 5.967 -1.859 -0.164 1.00 0.00 C ATOM 220 C VAL A 15 5.052 -2.717 -1.003 1.00 0.00 C ATOM 221 O VAL A 15 4.287 -2.179 -1.787 1.00 0.00 O ATOM 222 CB VAL A 15 5.312 -1.738 1.218 1.00 0.00 C ATOM 223 CG1 VAL A 15 6.042 -0.712 2.057 1.00 0.00 C ATOM 224 CG2 VAL A 15 3.818 -1.354 1.196 1.00 0.00 C ATOM 0 H VAL A 15 5.390 -0.120 -1.182 1.00 0.00 H new ATOM 0 HA VAL A 15 6.953 -2.314 -0.065 1.00 0.00 H new ATOM 0 HB VAL A 15 5.382 -2.739 1.644 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.566 -0.637 3.035 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.081 -1.017 2.181 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.005 0.257 1.560 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.443 -1.293 2.218 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.698 -0.387 0.707 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.256 -2.110 0.648 1.00 0.00 H new ATOM 234 N CYS A 16 5.017 -4.016 -0.730 1.00 0.00 N ATOM 235 CA CYS A 16 4.130 -4.963 -1.371 1.00 0.00 C ATOM 236 C CYS A 16 2.973 -5.351 -0.455 1.00 0.00 C ATOM 237 O CYS A 16 3.186 -5.633 0.723 1.00 0.00 O ATOM 238 CB CYS A 16 5.001 -6.155 -1.741 1.00 0.00 C ATOM 239 SG CYS A 16 4.202 -7.506 -2.610 1.00 0.00 S ATOM 0 H CYS A 16 5.626 -4.446 -0.034 1.00 0.00 H new ATOM 0 HA CYS A 16 3.657 -4.539 -2.257 1.00 0.00 H new ATOM 0 HB2 CYS A 16 5.824 -5.795 -2.358 1.00 0.00 H new ATOM 0 HB3 CYS A 16 5.439 -6.552 -0.825 1.00 0.00 H new ATOM 244 N GLY A 17 1.753 -5.381 -1.004 1.00 0.00 N ATOM 245 CA GLY A 17 0.648 -6.136 -0.434 1.00 0.00 C ATOM 246 C GLY A 17 0.559 -7.495 -1.133 1.00 0.00 C ATOM 247 O GLY A 17 1.099 -7.685 -2.222 1.00 0.00 O ATOM 0 H GLY A 17 1.511 -4.879 -1.858 1.00 0.00 H new ATOM 0 HA2 GLY A 17 0.798 -6.273 0.637 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.286 -5.587 -0.557 1.00 0.00 H new ATOM 251 N SER A 18 -0.172 -8.420 -0.510 1.00 0.00 N ATOM 252 CA SER A 18 -0.181 -9.860 -0.773 1.00 0.00 C ATOM 253 C SER A 18 -0.169 -10.327 -2.223 1.00 0.00 C ATOM 254 O SER A 18 0.477 -11.322 -2.541 1.00 0.00 O ATOM 255 CB SER A 18 -1.341 -10.477 0.014 1.00 0.00 C ATOM 256 OG SER A 18 -2.605 -10.063 -0.471 1.00 0.00 O ATOM 0 H SER A 18 -0.815 -8.167 0.240 1.00 0.00 H new ATOM 0 HA SER A 18 0.791 -10.219 -0.435 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.274 -11.564 -0.038 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.250 -10.201 1.065 1.00 0.00 H new ATOM 0 HG SER A 18 -3.313 -10.483 0.061 1.00 0.00 H new ATOM 262 N ASP A 19 -0.856 -9.602 -3.095 1.00 0.00 N ATOM 263 CA ASP A 19 -1.012 -9.907 -4.511 1.00 0.00 C ATOM 264 C ASP A 19 0.279 -9.671 -5.317 1.00 0.00 C ATOM 265 O ASP A 19 0.270 -9.843 -6.535 1.00 0.00 O ATOM 266 CB ASP A 19 -2.124 -8.988 -5.036 1.00 0.00 C ATOM 267 CG ASP A 19 -3.501 -9.222 -4.417 1.00 0.00 C ATOM 268 OD1 ASP A 19 -3.776 -10.366 -3.988 1.00 0.00 O ATOM 269 OD2 ASP A 19 -4.235 -8.211 -4.343 1.00 0.00 O ATOM 0 H ASP A 19 -1.341 -8.747 -2.823 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.255 -10.963 -4.628 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -1.833 -7.953 -4.858 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.201 -9.116 -6.116 1.00 0.00 H new ATOM 274 N GLY A 20 1.369 -9.200 -4.685 1.00 0.00 N ATOM 275 CA GLY A 20 2.470 -8.548 -5.408 1.00 0.00 C ATOM 276 C GLY A 20 2.232 -7.039 -5.590 1.00 0.00 C ATOM 277 O GLY A 20 3.095 -6.307 -6.079 1.00 0.00 O ATOM 0 H GLY A 20 1.509 -9.260 -3.676 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.402 -8.704 -4.865 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.588 -9.016 -6.385 1.00 0.00 H new ATOM 281 N ASN A 21 1.037 -6.581 -5.208 1.00 0.00 N ATOM 282 CA ASN A 21 0.480 -5.262 -5.419 1.00 0.00 C ATOM 283 C ASN A 21 1.259 -4.237 -4.602 1.00 0.00 C ATOM 284 O ASN A 21 1.024 -4.082 -3.404 1.00 0.00 O ATOM 285 CB ASN A 21 -1.009 -5.328 -5.064 1.00 0.00 C ATOM 286 CG ASN A 21 -1.835 -4.145 -5.533 1.00 0.00 C ATOM 287 OD1 ASN A 21 -1.343 -3.045 -5.744 1.00 0.00 O ATOM 288 ND2 ASN A 21 -3.120 -4.395 -5.756 1.00 0.00 N ATOM 0 H ASN A 21 0.387 -7.182 -4.701 1.00 0.00 H new ATOM 0 HA ASN A 21 0.566 -4.941 -6.457 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.429 -6.238 -5.493 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.105 -5.412 -3.982 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.728 -3.659 -6.114 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.499 -5.324 -5.569 1.00 0.00 H new ATOM 295 N THR A 22 2.301 -3.662 -5.204 1.00 0.00 N ATOM 296 CA THR A 22 3.111 -2.642 -4.585 1.00 0.00 C ATOM 297 C THR A 22 2.313 -1.344 -4.343 1.00 0.00 C ATOM 298 O THR A 22 1.528 -0.930 -5.192 1.00 0.00 O ATOM 299 CB THR A 22 4.433 -2.494 -5.343 1.00 0.00 C ATOM 300 OG1 THR A 22 5.056 -3.780 -5.337 1.00 0.00 O ATOM 301 CG2 THR A 22 5.389 -1.468 -4.710 1.00 0.00 C ATOM 0 H THR A 22 2.601 -3.903 -6.149 1.00 0.00 H new ATOM 0 HA THR A 22 3.394 -2.945 -3.577 1.00 0.00 H new ATOM 0 HB THR A 22 4.219 -2.130 -6.348 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.569 -4.382 -5.938 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.305 -1.414 -5.298 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.911 -0.488 -4.692 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.629 -1.774 -3.692 1.00 0.00 H new ATOM 309 N TYR A 23 2.593 -0.654 -3.233 1.00 0.00 N ATOM 310 CA TYR A 23 2.053 0.625 -2.803 1.00 0.00 C ATOM 311 C TYR A 23 3.227 1.547 -2.443 1.00 0.00 C ATOM 312 O TYR A 23 4.314 1.071 -2.111 1.00 0.00 O ATOM 313 CB TYR A 23 1.175 0.416 -1.557 1.00 0.00 C ATOM 314 CG TYR A 23 -0.117 -0.351 -1.776 1.00 0.00 C ATOM 315 CD1 TYR A 23 -0.121 -1.758 -1.706 1.00 0.00 C ATOM 316 CD2 TYR A 23 -1.317 0.338 -2.043 1.00 0.00 C ATOM 317 CE1 TYR A 23 -1.307 -2.478 -1.930 1.00 0.00 C ATOM 318 CE2 TYR A 23 -2.509 -0.376 -2.267 1.00 0.00 C ATOM 319 CZ TYR A 23 -2.507 -1.790 -2.220 1.00 0.00 C ATOM 320 OH TYR A 23 -3.652 -2.491 -2.456 1.00 0.00 O ATOM 0 H TYR A 23 3.265 -1.016 -2.556 1.00 0.00 H new ATOM 0 HA TYR A 23 1.452 1.066 -3.598 1.00 0.00 H new ATOM 0 HB2 TYR A 23 1.764 -0.110 -0.806 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.929 1.393 -1.142 1.00 0.00 H new ATOM 0 HD1 TYR A 23 0.793 -2.287 -1.479 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -1.322 1.417 -2.076 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -1.301 -3.557 -1.881 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -3.426 0.156 -2.475 1.00 0.00 H new ATOM 0 HH TYR A 23 -4.386 -1.867 -2.638 1.00 0.00 H new ATOM 330 N SER A 24 3.003 2.866 -2.452 1.00 0.00 N ATOM 331 CA SER A 24 3.999 3.886 -2.114 1.00 0.00 C ATOM 332 C SER A 24 4.529 3.786 -0.679 1.00 0.00 C ATOM 333 O SER A 24 5.648 4.234 -0.443 1.00 0.00 O ATOM 334 CB SER A 24 3.411 5.285 -2.335 1.00 0.00 C ATOM 335 OG SER A 24 4.384 6.291 -2.121 1.00 0.00 O ATOM 0 H SER A 24 2.097 3.263 -2.702 1.00 0.00 H new ATOM 0 HA SER A 24 4.846 3.708 -2.777 1.00 0.00 H new ATOM 0 HB2 SER A 24 3.022 5.362 -3.350 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.570 5.439 -1.659 1.00 0.00 H new ATOM 0 HG SER A 24 3.982 7.172 -2.270 1.00 0.00 H new ATOM 341 N ASN A 25 3.737 3.270 0.268 1.00 0.00 N ATOM 342 CA ASN A 25 4.101 3.055 1.667 1.00 0.00 C ATOM 343 C ASN A 25 3.082 2.097 2.289 1.00 0.00 C ATOM 344 O ASN A 25 1.994 1.919 1.726 1.00 0.00 O ATOM 345 CB ASN A 25 4.214 4.378 2.458 1.00 0.00 C ATOM 346 CG ASN A 25 3.054 5.347 2.335 1.00 0.00 C ATOM 347 OD1 ASN A 25 1.942 5.040 2.754 1.00 0.00 O ATOM 348 ND2 ASN A 25 3.344 6.542 1.843 1.00 0.00 N ATOM 0 H ASN A 25 2.781 2.978 0.067 1.00 0.00 H new ATOM 0 HA ASN A 25 5.095 2.610 1.713 1.00 0.00 H new ATOM 0 HB2 ASN A 25 4.343 4.134 3.512 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.121 4.890 2.136 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.624 7.263 1.798 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.287 6.741 1.509 1.00 0.00 H new ATOM 355 N PRO A 26 3.400 1.463 3.437 1.00 0.00 N ATOM 356 CA PRO A 26 2.487 0.502 4.040 1.00 0.00 C ATOM 357 C PRO A 26 1.291 1.188 4.696 1.00 0.00 C ATOM 358 O PRO A 26 0.264 0.548 4.925 1.00 0.00 O ATOM 359 CB PRO A 26 3.324 -0.284 5.046 1.00 0.00 C ATOM 360 CG PRO A 26 4.453 0.663 5.439 1.00 0.00 C ATOM 361 CD PRO A 26 4.621 1.584 4.235 1.00 0.00 C ATOM 0 HA PRO A 26 2.051 -0.159 3.290 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.731 -0.574 5.913 1.00 0.00 H new ATOM 0 HB3 PRO A 26 3.713 -1.202 4.605 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.202 1.227 6.337 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.372 0.117 5.652 1.00 0.00 H new ATOM 0 HD2 PRO A 26 4.773 2.615 4.555 1.00 0.00 H new ATOM 0 HD3 PRO A 26 5.495 1.300 3.650 1.00 0.00 H new ATOM 369 N CYS A 27 1.392 2.497 4.941 1.00 0.00 N ATOM 370 CA CYS A 27 0.259 3.271 5.389 1.00 0.00 C ATOM 371 C CYS A 27 -0.820 3.314 4.312 1.00 0.00 C ATOM 372 O CYS A 27 -1.977 3.075 4.629 1.00 0.00 O ATOM 373 CB CYS A 27 0.675 4.673 5.806 1.00 0.00 C ATOM 374 SG CYS A 27 -0.591 5.338 6.919 1.00 0.00 S ATOM 0 H CYS A 27 2.253 3.033 4.833 1.00 0.00 H new ATOM 0 HA CYS A 27 -0.157 2.780 6.269 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.644 4.648 6.305 1.00 0.00 H new ATOM 0 HB3 CYS A 27 0.784 5.313 4.930 1.00 0.00 H new ATOM 379 N MET A 28 -0.464 3.570 3.047 1.00 0.00 N ATOM 380 CA MET A 28 -1.420 3.507 1.937 1.00 0.00 C ATOM 381 C MET A 28 -2.084 2.127 1.808 1.00 0.00 C ATOM 382 O MET A 28 -3.298 2.075 1.606 1.00 0.00 O ATOM 383 CB MET A 28 -0.771 3.921 0.612 1.00 0.00 C ATOM 384 CG MET A 28 -0.587 5.441 0.536 1.00 0.00 C ATOM 385 SD MET A 28 0.047 6.049 -1.044 1.00 0.00 S ATOM 386 CE MET A 28 -1.354 5.631 -2.110 1.00 0.00 C ATOM 0 H MET A 28 0.483 3.824 2.767 1.00 0.00 H new ATOM 0 HA MET A 28 -2.208 4.223 2.172 1.00 0.00 H new ATOM 0 HB2 MET A 28 0.196 3.429 0.509 1.00 0.00 H new ATOM 0 HB3 MET A 28 -1.390 3.585 -0.220 1.00 0.00 H new ATOM 0 HG2 MET A 28 -1.546 5.919 0.735 1.00 0.00 H new ATOM 0 HG3 MET A 28 0.094 5.751 1.328 1.00 0.00 H new ATOM 0 HE1 MET A 28 -1.290 6.203 -3.036 1.00 0.00 H new ATOM 0 HE2 MET A 28 -1.332 4.566 -2.339 1.00 0.00 H new ATOM 0 HE3 MET A 28 -2.285 5.873 -1.598 1.00 0.00 H new ATOM 396 N LEU A 29 -1.322 1.032 1.966 1.00 0.00 N ATOM 397 CA LEU A 29 -1.861 -0.333 2.052 1.00 0.00 C ATOM 398 C LEU A 29 -2.881 -0.395 3.178 1.00 0.00 C ATOM 399 O LEU A 29 -4.069 -0.579 2.944 1.00 0.00 O ATOM 400 CB LEU A 29 -0.700 -1.334 2.220 1.00 0.00 C ATOM 401 CG LEU A 29 -0.862 -2.812 2.565 1.00 0.00 C ATOM 402 CD1 LEU A 29 0.477 -3.541 2.377 1.00 0.00 C ATOM 403 CD2 LEU A 29 -1.401 -3.149 3.968 1.00 0.00 C ATOM 0 H LEU A 29 -0.305 1.071 2.038 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.381 -0.610 1.135 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.141 -1.304 1.285 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.053 -0.916 2.991 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.634 -3.150 1.874 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.355 -4.595 2.625 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.800 -3.447 1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.227 -3.099 3.032 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.467 -4.231 4.082 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.727 -2.745 4.723 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.391 -2.710 4.093 1.00 0.00 H new ATOM 415 N THR A 30 -2.433 -0.245 4.414 1.00 0.00 N ATOM 416 CA THR A 30 -3.321 -0.452 5.554 1.00 0.00 C ATOM 417 C THR A 30 -4.524 0.503 5.511 1.00 0.00 C ATOM 418 O THR A 30 -5.621 0.109 5.908 1.00 0.00 O ATOM 419 CB THR A 30 -2.508 -0.364 6.847 1.00 0.00 C ATOM 420 OG1 THR A 30 -2.896 -1.391 7.738 1.00 0.00 O ATOM 421 CG2 THR A 30 -2.636 0.995 7.514 1.00 0.00 C ATOM 0 H THR A 30 -1.477 0.015 4.655 1.00 0.00 H new ATOM 0 HA THR A 30 -3.755 -1.451 5.510 1.00 0.00 H new ATOM 0 HB THR A 30 -1.459 -0.494 6.583 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.368 -1.326 8.561 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.042 1.009 8.428 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.277 1.769 6.835 1.00 0.00 H new ATOM 0 HG23 THR A 30 -3.681 1.183 7.758 1.00 0.00 H new ATOM 429 N CYS A 31 -4.323 1.730 4.999 1.00 0.00 N ATOM 430 CA CYS A 31 -5.355 2.691 4.718 1.00 0.00 C ATOM 431 C CYS A 31 -6.392 2.011 3.838 1.00 0.00 C ATOM 432 O CYS A 31 -7.455 1.674 4.337 1.00 0.00 O ATOM 433 CB CYS A 31 -4.809 3.979 4.071 1.00 0.00 C ATOM 434 SG CYS A 31 -6.064 5.009 3.244 1.00 0.00 S ATOM 0 H CYS A 31 -3.391 2.074 4.767 1.00 0.00 H new ATOM 0 HA CYS A 31 -5.809 3.017 5.654 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -4.319 4.576 4.840 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.045 3.707 3.343 1.00 0.00 H new ATOM 439 N ALA A 32 -6.048 1.740 2.576 1.00 0.00 N ATOM 440 CA ALA A 32 -6.826 0.969 1.606 1.00 0.00 C ATOM 441 C ALA A 32 -7.563 -0.185 2.262 1.00 0.00 C ATOM 442 O ALA A 32 -8.751 -0.373 2.033 1.00 0.00 O ATOM 443 CB ALA A 32 -5.936 0.479 0.484 1.00 0.00 C ATOM 0 H ALA A 32 -5.168 2.073 2.183 1.00 0.00 H new ATOM 0 HA ALA A 32 -7.581 1.632 1.185 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.530 -0.093 -0.229 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.485 1.333 -0.022 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.151 -0.156 0.894 1.00 0.00 H new ATOM 449 N LYS A 33 -6.816 -1.011 2.991 1.00 0.00 N ATOM 450 CA LYS A 33 -7.316 -2.174 3.699 1.00 0.00 C ATOM 451 C LYS A 33 -8.531 -1.817 4.544 1.00 0.00 C ATOM 452 O LYS A 33 -9.627 -2.307 4.267 1.00 0.00 O ATOM 453 CB LYS A 33 -6.188 -2.821 4.504 1.00 0.00 C ATOM 454 CG LYS A 33 -6.618 -4.221 4.915 1.00 0.00 C ATOM 455 CD LYS A 33 -5.506 -4.931 5.652 1.00 0.00 C ATOM 456 CE LYS A 33 -6.096 -6.112 6.419 1.00 0.00 C ATOM 457 NZ LYS A 33 -6.897 -5.703 7.592 1.00 0.00 N ATOM 0 H LYS A 33 -5.811 -0.879 3.105 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.660 -2.917 2.980 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.277 -2.866 3.907 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.962 -2.222 5.386 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.502 -4.163 5.550 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.898 -4.794 4.031 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.749 -5.279 4.948 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.011 -4.245 6.339 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.722 -6.698 5.746 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.287 -6.763 6.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.984 -6.504 8.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.428 -4.909 8.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.844 -5.407 7.280 1.00 0.00 H new ATOM 471 N HIS A 34 -8.331 -0.951 5.542 1.00 0.00 N ATOM 472 CA HIS A 34 -9.397 -0.455 6.401 1.00 0.00 C ATOM 473 C HIS A 34 -10.387 0.443 5.654 1.00 0.00 C ATOM 474 O HIS A 34 -11.462 0.705 6.196 1.00 0.00 O ATOM 475 CB HIS A 34 -8.798 0.285 7.610 1.00 0.00 C ATOM 476 CG HIS A 34 -9.009 -0.473 8.891 1.00 0.00 C ATOM 477 ND1 HIS A 34 -10.221 -0.654 9.517 1.00 0.00 N ATOM 478 CD2 HIS A 34 -8.056 -1.137 9.615 1.00 0.00 C ATOM 479 CE1 HIS A 34 -10.000 -1.413 10.605 1.00 0.00 C ATOM 480 NE2 HIS A 34 -8.699 -1.738 10.701 1.00 0.00 N ATOM 0 H HIS A 34 -7.412 -0.574 5.774 1.00 0.00 H new ATOM 0 HA HIS A 34 -9.962 -1.320 6.749 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -7.731 0.438 7.450 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -9.252 1.272 7.693 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -7.001 -1.187 9.389 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -10.763 -1.719 11.305 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -8.266 -2.311 11.425 1.00 0.00 H new ATOM 488 N GLU A 35 -10.048 0.928 4.453 1.00 0.00 N ATOM 489 CA GLU A 35 -10.937 1.768 3.669 1.00 0.00 C ATOM 490 C GLU A 35 -11.953 0.865 2.952 1.00 0.00 C ATOM 491 O GLU A 35 -13.147 0.951 3.217 1.00 0.00 O ATOM 492 CB GLU A 35 -10.113 2.694 2.747 1.00 0.00 C ATOM 493 CG GLU A 35 -10.636 4.110 2.493 1.00 0.00 C ATOM 494 CD GLU A 35 -11.136 4.322 1.061 1.00 0.00 C ATOM 495 OE1 GLU A 35 -12.013 3.541 0.635 1.00 0.00 O ATOM 496 OE2 GLU A 35 -10.627 5.269 0.422 1.00 0.00 O ATOM 0 H GLU A 35 -9.150 0.745 4.006 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.516 2.446 4.296 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.112 2.779 3.169 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.011 2.198 1.782 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.448 4.321 3.189 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.842 4.827 2.703 1.00 0.00 H new ATOM 503 N GLY A 36 -11.487 -0.062 2.109 1.00 0.00 N ATOM 504 CA GLY A 36 -12.345 -0.945 1.330 1.00 0.00 C ATOM 505 C GLY A 36 -11.633 -2.178 0.774 1.00 0.00 C ATOM 506 O GLY A 36 -12.059 -2.683 -0.263 1.00 0.00 O ATOM 0 H GLY A 36 -10.492 -0.218 1.950 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -13.176 -1.270 1.955 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -12.772 -0.381 0.501 1.00 0.00 H new ATOM 510 N ASN A 37 -10.575 -2.680 1.427 1.00 0.00 N ATOM 511 CA ASN A 37 -9.867 -3.883 0.985 1.00 0.00 C ATOM 512 C ASN A 37 -9.688 -4.840 2.165 1.00 0.00 C ATOM 513 O ASN A 37 -8.560 -5.079 2.572 1.00 0.00 O ATOM 514 CB ASN A 37 -8.520 -3.511 0.324 1.00 0.00 C ATOM 515 CG ASN A 37 -8.061 -4.556 -0.675 1.00 0.00 C ATOM 516 OD1 ASN A 37 -8.491 -5.703 -0.656 1.00 0.00 O ATOM 517 ND2 ASN A 37 -7.144 -4.160 -1.544 1.00 0.00 N ATOM 0 H ASN A 37 -10.189 -2.262 2.274 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.460 -4.396 0.227 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.618 -2.549 -0.179 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.760 -3.391 1.096 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.772 -4.819 -2.228 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.810 -3.196 -1.529 1.00 0.00 H new ATOM 524 N PRO A 38 -10.749 -5.432 2.738 1.00 0.00 N ATOM 525 CA PRO A 38 -10.595 -6.305 3.904 1.00 0.00 C ATOM 526 C PRO A 38 -9.722 -7.538 3.603 1.00 0.00 C ATOM 527 O PRO A 38 -9.167 -8.139 4.522 1.00 0.00 O ATOM 528 CB PRO A 38 -12.023 -6.680 4.312 1.00 0.00 C ATOM 529 CG PRO A 38 -12.837 -6.517 3.024 1.00 0.00 C ATOM 530 CD PRO A 38 -12.133 -5.373 2.296 1.00 0.00 C ATOM 0 HA PRO A 38 -10.068 -5.802 4.715 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.074 -7.701 4.689 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.395 -6.029 5.103 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -12.835 -7.431 2.430 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.879 -6.276 3.236 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.206 -5.491 1.215 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -12.584 -4.412 2.543 1.00 0.00 H new ATOM 538 N ASP A 39 -9.577 -7.857 2.316 1.00 0.00 N ATOM 539 CA ASP A 39 -8.776 -8.916 1.725 1.00 0.00 C ATOM 540 C ASP A 39 -7.275 -8.596 1.655 1.00 0.00 C ATOM 541 O ASP A 39 -6.459 -9.517 1.600 1.00 0.00 O ATOM 542 CB ASP A 39 -9.309 -9.106 0.298 1.00 0.00 C ATOM 543 CG ASP A 39 -10.395 -10.187 0.234 1.00 0.00 C ATOM 544 OD1 ASP A 39 -11.471 -9.946 0.828 1.00 0.00 O ATOM 545 OD2 ASP A 39 -10.142 -11.235 -0.400 1.00 0.00 O ATOM 0 H ASP A 39 -10.067 -7.325 1.597 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.862 -9.807 2.348 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -9.714 -8.162 -0.067 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.487 -9.378 -0.364 1.00 0.00 H new ATOM 550 N LEU A 40 -6.891 -7.312 1.613 1.00 0.00 N ATOM 551 CA LEU A 40 -5.494 -6.892 1.631 1.00 0.00 C ATOM 552 C LEU A 40 -4.909 -7.252 2.983 1.00 0.00 C ATOM 553 O LEU A 40 -5.639 -7.324 3.964 1.00 0.00 O ATOM 554 CB LEU A 40 -5.451 -5.387 1.294 1.00 0.00 C ATOM 555 CG LEU A 40 -4.243 -4.558 1.727 1.00 0.00 C ATOM 556 CD1 LEU A 40 -2.897 -5.087 1.260 1.00 0.00 C ATOM 557 CD2 LEU A 40 -4.340 -3.094 1.266 1.00 0.00 C ATOM 0 H LEU A 40 -7.550 -6.535 1.565 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.881 -7.399 0.886 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.544 -5.291 0.212 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.337 -4.928 1.732 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.282 -4.633 2.814 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.104 -4.430 1.618 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.743 -6.091 1.656 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.877 -5.120 0.171 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.457 -2.548 1.599 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.400 -3.058 0.178 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.232 -2.636 1.693 1.00 0.00 H new ATOM 569 N VAL A 41 -3.592 -7.446 3.054 1.00 0.00 N ATOM 570 CA VAL A 41 -2.861 -7.709 4.277 1.00 0.00 C ATOM 571 C VAL A 41 -1.428 -7.184 4.159 1.00 0.00 C ATOM 572 O VAL A 41 -0.868 -7.119 3.059 1.00 0.00 O ATOM 573 CB VAL A 41 -2.862 -9.222 4.550 1.00 0.00 C ATOM 574 CG1 VAL A 41 -4.259 -9.772 4.820 1.00 0.00 C ATOM 575 CG2 VAL A 41 -2.240 -10.042 3.419 1.00 0.00 C ATOM 0 H VAL A 41 -2.992 -7.422 2.230 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.343 -7.195 5.109 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.248 -9.328 5.444 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.198 -10.844 5.006 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.683 -9.276 5.693 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.896 -9.589 3.954 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.273 -11.101 3.676 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.799 -9.875 2.498 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.204 -9.736 3.275 1.00 0.00 H new ATOM 585 N GLN A 42 -0.813 -6.873 5.304 1.00 0.00 N ATOM 586 CA GLN A 42 0.620 -6.645 5.400 1.00 0.00 C ATOM 587 C GLN A 42 1.336 -7.999 5.329 1.00 0.00 C ATOM 588 O GLN A 42 1.625 -8.614 6.352 1.00 0.00 O ATOM 589 CB GLN A 42 0.966 -5.883 6.693 1.00 0.00 C ATOM 590 CG GLN A 42 2.375 -5.263 6.601 1.00 0.00 C ATOM 591 CD GLN A 42 2.343 -3.902 5.904 1.00 0.00 C ATOM 592 OE1 GLN A 42 1.622 -2.998 6.311 1.00 0.00 O ATOM 593 NE2 GLN A 42 3.106 -3.713 4.839 1.00 0.00 N ATOM 0 H GLN A 42 -1.304 -6.773 6.192 1.00 0.00 H new ATOM 0 HA GLN A 42 0.955 -6.023 4.570 1.00 0.00 H new ATOM 0 HB2 GLN A 42 0.229 -5.099 6.867 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.917 -6.561 7.545 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.790 -5.151 7.602 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.036 -5.937 6.056 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.706 -4.466 4.501 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.094 -2.815 4.356 1.00 0.00 H new ATOM 602 N VAL A 43 1.616 -8.464 4.113 1.00 0.00 N ATOM 603 CA VAL A 43 2.530 -9.562 3.860 1.00 0.00 C ATOM 604 C VAL A 43 3.905 -9.243 4.463 1.00 0.00 C ATOM 605 O VAL A 43 4.436 -10.027 5.245 1.00 0.00 O ATOM 606 CB VAL A 43 2.622 -9.916 2.358 1.00 0.00 C ATOM 607 CG1 VAL A 43 1.518 -10.898 1.959 1.00 0.00 C ATOM 608 CG2 VAL A 43 2.491 -8.692 1.433 1.00 0.00 C ATOM 0 H VAL A 43 1.203 -8.077 3.264 1.00 0.00 H new ATOM 0 HA VAL A 43 2.136 -10.453 4.350 1.00 0.00 H new ATOM 0 HB VAL A 43 3.612 -10.353 2.232 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.605 -11.131 0.898 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.618 -11.814 2.541 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.544 -10.449 2.154 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.564 -9.012 0.394 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.526 -8.213 1.598 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.290 -7.983 1.652 1.00 0.00 H new ATOM 618 N HIS A 44 4.470 -8.082 4.100 1.00 0.00 N ATOM 619 CA HIS A 44 5.722 -7.536 4.612 1.00 0.00 C ATOM 620 C HIS A 44 5.798 -6.048 4.230 1.00 0.00 C ATOM 621 O HIS A 44 4.830 -5.496 3.705 1.00 0.00 O ATOM 622 CB HIS A 44 6.914 -8.312 4.018 1.00 0.00 C ATOM 623 CG HIS A 44 8.238 -8.015 4.687 1.00 0.00 C ATOM 624 ND1 HIS A 44 8.436 -7.847 6.041 1.00 0.00 N ATOM 625 CD2 HIS A 44 9.427 -7.747 4.060 1.00 0.00 C ATOM 626 CE1 HIS A 44 9.715 -7.472 6.219 1.00 0.00 C ATOM 627 NE2 HIS A 44 10.356 -7.400 5.044 1.00 0.00 N ATOM 0 H HIS A 44 4.039 -7.472 3.405 1.00 0.00 H new ATOM 0 HA HIS A 44 5.761 -7.635 5.697 1.00 0.00 H new ATOM 0 HB2 HIS A 44 6.712 -9.381 4.094 1.00 0.00 H new ATOM 0 HB3 HIS A 44 6.994 -8.077 2.957 1.00 0.00 H new ATOM 0 HD2 HIS A 44 9.612 -7.795 2.997 1.00 0.00 H new ATOM 0 HE1 HIS A 44 10.164 -7.258 7.178 1.00 0.00 H new ATOM 0 HE2 HIS A 44 11.332 -7.142 4.897 1.00 0.00 H new ATOM 635 N GLU A 45 6.923 -5.391 4.528 1.00 0.00 N ATOM 636 CA GLU A 45 7.368 -4.159 3.891 1.00 0.00 C ATOM 637 C GLU A 45 8.155 -4.537 2.614 1.00 0.00 C ATOM 638 O GLU A 45 8.249 -5.719 2.280 1.00 0.00 O ATOM 639 CB GLU A 45 8.216 -3.364 4.903 1.00 0.00 C ATOM 640 CG GLU A 45 8.111 -1.853 4.660 1.00 0.00 C ATOM 641 CD GLU A 45 9.003 -1.043 5.600 1.00 0.00 C ATOM 642 OE1 GLU A 45 8.759 -1.108 6.824 1.00 0.00 O ATOM 643 OE2 GLU A 45 9.895 -0.346 5.069 1.00 0.00 O ATOM 0 H GLU A 45 7.569 -5.719 5.246 1.00 0.00 H new ATOM 0 HA GLU A 45 6.534 -3.523 3.594 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.886 -3.594 5.916 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.258 -3.674 4.829 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.385 -1.635 3.628 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.075 -1.539 4.788 1.00 0.00 H new ATOM 650 N GLY A 46 8.752 -3.565 1.910 1.00 0.00 N ATOM 651 CA GLY A 46 9.567 -3.790 0.713 1.00 0.00 C ATOM 652 C GLY A 46 8.707 -4.100 -0.523 1.00 0.00 C ATOM 653 O GLY A 46 7.662 -4.741 -0.395 1.00 0.00 O ATOM 0 H GLY A 46 8.679 -2.580 2.164 1.00 0.00 H new ATOM 0 HA2 GLY A 46 10.176 -2.907 0.518 1.00 0.00 H new ATOM 0 HA3 GLY A 46 10.254 -4.617 0.893 1.00 0.00 H new ATOM 657 N PRO A 47 9.074 -3.612 -1.721 1.00 0.00 N ATOM 658 CA PRO A 47 8.221 -3.721 -2.898 1.00 0.00 C ATOM 659 C PRO A 47 8.385 -5.085 -3.573 1.00 0.00 C ATOM 660 O PRO A 47 9.467 -5.672 -3.554 1.00 0.00 O ATOM 661 CB PRO A 47 8.680 -2.575 -3.793 1.00 0.00 C ATOM 662 CG PRO A 47 10.183 -2.499 -3.525 1.00 0.00 C ATOM 663 CD PRO A 47 10.274 -2.846 -2.037 1.00 0.00 C ATOM 0 HA PRO A 47 7.159 -3.652 -2.662 1.00 0.00 H new ATOM 0 HB2 PRO A 47 8.468 -2.775 -4.843 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.179 -1.641 -3.539 1.00 0.00 H new ATOM 0 HG2 PRO A 47 10.741 -3.205 -4.141 1.00 0.00 H new ATOM 0 HG3 PRO A 47 10.583 -1.507 -3.735 1.00 0.00 H new ATOM 0 HD2 PRO A 47 11.172 -3.427 -1.827 1.00 0.00 H new ATOM 0 HD3 PRO A 47 10.330 -1.943 -1.430 1.00 0.00 H new ATOM 671 N CYS A 48 7.298 -5.595 -4.162 1.00 0.00 N ATOM 672 CA CYS A 48 7.368 -6.763 -5.042 1.00 0.00 C ATOM 673 C CYS A 48 7.687 -6.341 -6.472 1.00 0.00 C ATOM 674 O CYS A 48 8.404 -7.042 -7.180 1.00 0.00 O ATOM 675 CB CYS A 48 6.065 -7.553 -5.008 1.00 0.00 C ATOM 676 SG CYS A 48 5.772 -8.474 -3.472 1.00 0.00 S ATOM 0 H CYS A 48 6.359 -5.215 -4.044 1.00 0.00 H new ATOM 0 HA CYS A 48 8.170 -7.406 -4.678 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.235 -6.864 -5.166 1.00 0.00 H new ATOM 0 HB3 CYS A 48 6.060 -8.255 -5.842 1.00 0.00 H new ATOM 681 N ASP A 49 7.138 -5.201 -6.891 1.00 0.00 N ATOM 682 CA ASP A 49 7.521 -4.504 -8.089 1.00 0.00 C ATOM 683 C ASP A 49 8.992 -4.085 -8.002 1.00 0.00 C ATOM 684 O ASP A 49 9.443 -3.611 -6.959 1.00 0.00 O ATOM 685 CB ASP A 49 6.607 -3.291 -8.244 1.00 0.00 C ATOM 686 CG ASP A 49 7.141 -2.327 -9.291 1.00 0.00 C ATOM 687 OD1 ASP A 49 7.153 -2.706 -10.483 1.00 0.00 O ATOM 688 OD2 ASP A 49 7.526 -1.217 -8.861 1.00 0.00 O ATOM 0 H ASP A 49 6.390 -4.733 -6.379 1.00 0.00 H new ATOM 0 HA ASP A 49 7.416 -5.149 -8.961 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.607 -3.620 -8.526 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.515 -2.777 -7.287 1.00 0.00 H new ATOM 693 N GLU A 50 9.722 -4.204 -9.112 1.00 0.00 N ATOM 694 CA GLU A 50 11.076 -3.708 -9.254 1.00 0.00 C ATOM 695 C GLU A 50 11.257 -3.450 -10.748 1.00 0.00 C ATOM 696 O GLU A 50 10.899 -4.300 -11.567 1.00 0.00 O ATOM 697 CB GLU A 50 12.099 -4.733 -8.720 1.00 0.00 C ATOM 698 CG GLU A 50 13.266 -4.012 -8.030 1.00 0.00 C ATOM 699 CD GLU A 50 14.403 -4.973 -7.667 1.00 0.00 C ATOM 700 OE1 GLU A 50 15.221 -5.255 -8.572 1.00 0.00 O ATOM 701 OE2 GLU A 50 14.455 -5.399 -6.491 1.00 0.00 O ATOM 0 H GLU A 50 9.372 -4.661 -9.954 1.00 0.00 H new ATOM 0 HA GLU A 50 11.242 -2.800 -8.674 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.613 -5.409 -8.016 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.474 -5.344 -9.541 1.00 0.00 H new ATOM 0 HG2 GLU A 50 13.648 -3.231 -8.687 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.905 -3.521 -7.127 1.00 0.00 H new ATOM 708 N HIS A 51 11.743 -2.258 -11.106 1.00 0.00 N ATOM 709 CA HIS A 51 11.973 -1.878 -12.493 1.00 0.00 C ATOM 710 C HIS A 51 13.096 -0.844 -12.515 1.00 0.00 C ATOM 711 O HIS A 51 14.200 -1.159 -12.942 1.00 0.00 O ATOM 712 CB HIS A 51 10.668 -1.376 -13.141 1.00 0.00 C ATOM 713 CG HIS A 51 10.709 -1.473 -14.643 1.00 0.00 C ATOM 714 ND1 HIS A 51 11.501 -0.730 -15.493 1.00 0.00 N ATOM 715 CD2 HIS A 51 10.006 -2.369 -15.402 1.00 0.00 C ATOM 716 CE1 HIS A 51 11.271 -1.176 -16.741 1.00 0.00 C ATOM 717 NE2 HIS A 51 10.367 -2.169 -16.738 1.00 0.00 N ATOM 0 H HIS A 51 11.987 -1.530 -10.435 1.00 0.00 H new ATOM 0 HA HIS A 51 12.284 -2.735 -13.091 1.00 0.00 H new ATOM 0 HB2 HIS A 51 9.828 -1.959 -12.763 1.00 0.00 H new ATOM 0 HB3 HIS A 51 10.494 -0.340 -12.849 1.00 0.00 H new ATOM 0 HD2 HIS A 51 9.300 -3.099 -15.035 1.00 0.00 H new ATOM 0 HE1 HIS A 51 11.750 -0.787 -17.628 1.00 0.00 H new ATOM 0 HE2 HIS A 51 10.014 -2.677 -17.549 1.00 0.00 H new ATOM 725 N ASP A 52 12.825 0.349 -11.972 1.00 0.00 N ATOM 726 CA ASP A 52 13.771 1.414 -11.661 1.00 0.00 C ATOM 727 C ASP A 52 12.989 2.497 -10.904 1.00 0.00 C ATOM 728 O ASP A 52 11.762 2.408 -10.789 1.00 0.00 O ATOM 729 CB ASP A 52 14.422 2.008 -12.928 1.00 0.00 C ATOM 730 CG ASP A 52 15.850 2.495 -12.649 1.00 0.00 C ATOM 731 OD1 ASP A 52 16.084 2.986 -11.518 1.00 0.00 O ATOM 732 OD2 ASP A 52 16.696 2.358 -13.559 1.00 0.00 O ATOM 0 H ASP A 52 11.870 0.608 -11.723 1.00 0.00 H new ATOM 0 HA ASP A 52 14.588 1.015 -11.060 1.00 0.00 H new ATOM 0 HB2 ASP A 52 14.440 1.255 -13.716 1.00 0.00 H new ATOM 0 HB3 ASP A 52 13.818 2.838 -13.294 1.00 0.00 H new ATOM 737 N HIS A 53 13.687 3.494 -10.352 1.00 0.00 N ATOM 738 CA HIS A 53 13.098 4.648 -9.680 1.00 0.00 C ATOM 739 C HIS A 53 13.227 5.899 -10.556 1.00 0.00 C ATOM 740 O HIS A 53 13.985 6.816 -10.241 1.00 0.00 O ATOM 741 CB HIS A 53 13.680 4.794 -8.262 1.00 0.00 C ATOM 742 CG HIS A 53 12.980 5.850 -7.436 1.00 0.00 C ATOM 743 ND1 HIS A 53 11.663 5.825 -7.030 1.00 0.00 N ATOM 744 CD2 HIS A 53 13.538 7.009 -6.963 1.00 0.00 C ATOM 745 CE1 HIS A 53 11.439 6.950 -6.327 1.00 0.00 C ATOM 746 NE2 HIS A 53 12.551 7.697 -6.250 1.00 0.00 N ATOM 0 H HIS A 53 14.707 3.518 -10.363 1.00 0.00 H new ATOM 0 HA HIS A 53 12.027 4.499 -9.543 1.00 0.00 H new ATOM 0 HB2 HIS A 53 13.612 3.835 -7.748 1.00 0.00 H new ATOM 0 HB3 HIS A 53 14.739 5.042 -8.335 1.00 0.00 H new ATOM 0 HD2 HIS A 53 14.557 7.333 -7.114 1.00 0.00 H new ATOM 0 HE1 HIS A 53 10.491 7.216 -5.884 1.00 0.00 H new ATOM 0 HE2 HIS A 53 12.656 8.589 -5.767 1.00 0.00 H new ATOM 754 N ASP A 54 12.475 5.928 -11.661 1.00 0.00 N ATOM 755 CA ASP A 54 12.309 7.125 -12.480 1.00 0.00 C ATOM 756 C ASP A 54 11.559 8.209 -11.691 1.00 0.00 C ATOM 757 O ASP A 54 10.815 7.900 -10.755 1.00 0.00 O ATOM 758 CB ASP A 54 11.522 6.785 -13.757 1.00 0.00 C ATOM 759 CG ASP A 54 12.287 5.846 -14.687 1.00 0.00 C ATOM 760 OD1 ASP A 54 13.106 6.364 -15.479 1.00 0.00 O ATOM 761 OD2 ASP A 54 12.029 4.626 -14.592 1.00 0.00 O ATOM 0 H ASP A 54 11.964 5.117 -12.011 1.00 0.00 H new ATOM 0 HA ASP A 54 13.296 7.499 -12.752 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.573 6.324 -13.482 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.287 7.706 -14.290 1.00 0.00 H new ATOM 766 N PHE A 55 11.715 9.477 -12.093 1.00 0.00 N ATOM 767 CA PHE A 55 11.022 10.624 -11.523 1.00 0.00 C ATOM 768 C PHE A 55 11.004 11.725 -12.583 1.00 0.00 C ATOM 769 O PHE A 55 11.997 11.784 -13.344 1.00 0.00 O ATOM 770 CB PHE A 55 11.735 11.087 -10.240 1.00 0.00 C ATOM 771 CG PHE A 55 10.799 11.653 -9.191 1.00 0.00 C ATOM 772 CD1 PHE A 55 10.205 12.917 -9.372 1.00 0.00 C ATOM 773 CD2 PHE A 55 10.509 10.906 -8.032 1.00 0.00 C ATOM 774 CE1 PHE A 55 9.331 13.432 -8.398 1.00 0.00 C ATOM 775 CE2 PHE A 55 9.642 11.424 -7.054 1.00 0.00 C ATOM 776 CZ PHE A 55 9.052 12.688 -7.237 1.00 0.00 C ATOM 777 OXT PHE A 55 10.007 12.476 -12.616 1.00 0.00 O ATOM 0 H PHE A 55 12.349 9.734 -12.849 1.00 0.00 H new ATOM 0 HA PHE A 55 10.000 10.367 -11.246 1.00 0.00 H new ATOM 0 HB2 PHE A 55 12.278 10.244 -9.813 1.00 0.00 H new ATOM 0 HB3 PHE A 55 12.475 11.844 -10.500 1.00 0.00 H new ATOM 0 HD1 PHE A 55 10.421 13.492 -10.260 1.00 0.00 H new ATOM 0 HD2 PHE A 55 10.954 9.932 -7.894 1.00 0.00 H new ATOM 0 HE1 PHE A 55 8.873 14.400 -8.541 1.00 0.00 H new ATOM 0 HE2 PHE A 55 9.429 10.852 -6.163 1.00 0.00 H new ATOM 0 HZ PHE A 55 8.385 13.087 -6.487 1.00 0.00 H new TER 787 PHE A 55