USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 594 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 Set 1.1: A 56 SER OG : rot 160:sc= 0.0604 USER MOD Set 1.2: A 57 MET CE :methyl 166:sc= -3.21! (180deg=-3.89!) USER MOD Set 2.1: A 45 LYS NZ :NH3+ -174:sc= 1.22 (180deg=-0.0377) USER MOD Set 2.2: A 48 ASN : amide:sc= 1.59 K(o=2.8,f=-8.4!) USER MOD Set 3.1: A 33 GLN : amide:sc= -1.99 K(o=-1.4,f=-6.6!) USER MOD Set 3.2: A 76 LYS NZ :NH3+ 154:sc= 0.635 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.272 X(o=-0.27,f=-0.67) USER MOD Single : A 26 LYS NZ :NH3+ -166:sc= -0.09 (180deg=-0.387) USER MOD Single : A 30 GLN : amide:sc= -2.44 K(o=-2.4,f=-9.1!) USER MOD Single : A 32 GLN : amide:sc= -1.94 K(o=-1.9,f=-2.5!) USER MOD Single : A 36 GLN : amide:sc= 0.0727 X(o=0.073,f=0) USER MOD Single : A 38 THR OG1 : rot -77:sc= 1.3 USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 47 GLN :FLIP amide:sc= -0.768 F(o=-5.4!,f=-0.77) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 50 SER OG : rot -120:sc= -0.189 USER MOD Single : A 54 SER OG : rot 44:sc= -1.76! USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 68:sc= 0.0757 USER MOD Single : A 64 GLN :FLIP amide:sc= -0.0306 F(o=-1.1!,f=-0.031) USER MOD Single : A 65 LYS NZ :NH3+ 143:sc= 1.29 (180deg=0.688) USER MOD Single : A 67 TYR OH : rot 21:sc= 1.21 USER MOD Single : A 70 MET CE :methyl 141:sc= -1.41 (180deg=-2.94!) USER MOD Single : A 71 GLN : amide:sc= -0.36 X(o=-0.36,f=-0.54) USER MOD Single : A 74 LYS NZ :NH3+ -117:sc= 0.0254 (180deg=-0.864) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -125:sc= 1.04 (180deg=-0.00114) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -170:sc= -4.06! (180deg=-4.29!) USER MOD Single : A 87 TYR OH : rot 120:sc= -0.092 USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 37:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 46 N VAL A 22 11.445 -4.790 -7.475 1.00 0.00 N ATOM 47 CA VAL A 22 12.522 -3.853 -7.175 1.00 0.00 C ATOM 48 C VAL A 22 12.370 -3.369 -5.732 1.00 0.00 C ATOM 49 O VAL A 22 13.287 -2.804 -5.134 1.00 0.00 O ATOM 50 CB VAL A 22 12.511 -2.650 -8.151 1.00 0.00 C ATOM 51 CG1 VAL A 22 11.230 -1.855 -8.030 1.00 0.00 C ATOM 52 CG2 VAL A 22 13.720 -1.756 -7.930 1.00 0.00 C ATOM 0 HA VAL A 22 13.478 -4.363 -7.297 1.00 0.00 H new ATOM 0 HB VAL A 22 12.564 -3.049 -9.164 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.254 -1.018 -8.728 1.00 0.00 H new ATOM 0 HG12 VAL A 22 10.380 -2.497 -8.262 1.00 0.00 H new ATOM 0 HG13 VAL A 22 11.132 -1.476 -7.013 1.00 0.00 H new ATOM 0 HG21 VAL A 22 13.687 -0.920 -8.628 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.710 -1.376 -6.908 1.00 0.00 H new ATOM 0 HG23 VAL A 22 14.632 -2.330 -8.095 1.00 0.00 H new ATOM 62 N LEU A 23 11.187 -3.623 -5.188 1.00 0.00 N ATOM 63 CA LEU A 23 10.865 -3.292 -3.813 1.00 0.00 C ATOM 64 C LEU A 23 11.575 -4.252 -2.863 1.00 0.00 C ATOM 65 O LEU A 23 10.993 -5.240 -2.412 1.00 0.00 O ATOM 66 CB LEU A 23 9.350 -3.384 -3.611 1.00 0.00 C ATOM 67 CG LEU A 23 8.503 -2.834 -4.763 1.00 0.00 C ATOM 68 CD1 LEU A 23 7.023 -3.063 -4.496 1.00 0.00 C ATOM 69 CD2 LEU A 23 8.788 -1.355 -4.987 1.00 0.00 C ATOM 0 H LEU A 23 10.421 -4.067 -5.695 1.00 0.00 H new ATOM 0 HA LEU A 23 11.199 -2.277 -3.599 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.084 -4.429 -3.452 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.088 -2.846 -2.700 1.00 0.00 H new ATOM 0 HG LEU A 23 8.774 -3.372 -5.672 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.438 -2.666 -5.325 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.832 -4.132 -4.397 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.737 -2.556 -3.574 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.175 -0.987 -5.810 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.552 -0.798 -4.081 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.842 -1.220 -5.231 1.00 0.00 H new ATOM 81 N GLN A 24 12.837 -3.970 -2.583 1.00 0.00 N ATOM 82 CA GLN A 24 13.628 -4.827 -1.721 1.00 0.00 C ATOM 83 C GLN A 24 13.548 -4.372 -0.276 1.00 0.00 C ATOM 84 O GLN A 24 14.001 -3.284 0.078 1.00 0.00 O ATOM 85 CB GLN A 24 15.080 -4.877 -2.193 1.00 0.00 C ATOM 86 CG GLN A 24 15.243 -5.611 -3.512 1.00 0.00 C ATOM 87 CD GLN A 24 14.806 -7.058 -3.422 1.00 0.00 C ATOM 88 OE1 GLN A 24 13.636 -7.381 -3.628 1.00 0.00 O ATOM 89 NE2 GLN A 24 15.745 -7.942 -3.126 1.00 0.00 N ATOM 0 H GLN A 24 13.334 -3.154 -2.941 1.00 0.00 H new ATOM 0 HA GLN A 24 13.215 -5.834 -1.779 1.00 0.00 H new ATOM 0 HB2 GLN A 24 15.458 -3.860 -2.299 1.00 0.00 H new ATOM 0 HB3 GLN A 24 15.688 -5.366 -1.432 1.00 0.00 H new ATOM 0 HG2 GLN A 24 14.660 -5.105 -4.281 1.00 0.00 H new ATOM 0 HG3 GLN A 24 16.287 -5.568 -3.823 1.00 0.00 H new ATOM 0 HE21 GLN A 24 16.703 -7.633 -2.962 1.00 0.00 H new ATOM 0 HE22 GLN A 24 15.511 -8.933 -3.061 1.00 0.00 H new ATOM 98 N PHE A 25 12.951 -5.218 0.544 1.00 0.00 N ATOM 99 CA PHE A 25 12.784 -4.949 1.962 1.00 0.00 C ATOM 100 C PHE A 25 14.054 -5.298 2.706 1.00 0.00 C ATOM 101 O PHE A 25 14.653 -6.358 2.498 1.00 0.00 O ATOM 102 CB PHE A 25 11.595 -5.759 2.484 1.00 0.00 C ATOM 103 CG PHE A 25 10.371 -5.569 1.638 1.00 0.00 C ATOM 104 CD1 PHE A 25 9.666 -4.376 1.672 1.00 0.00 C ATOM 105 CD2 PHE A 25 9.913 -6.592 0.825 1.00 0.00 C ATOM 106 CE1 PHE A 25 8.529 -4.206 0.907 1.00 0.00 C ATOM 107 CE2 PHE A 25 8.777 -6.427 0.058 1.00 0.00 C ATOM 108 CZ PHE A 25 8.128 -5.204 0.044 1.00 0.00 C ATOM 0 H PHE A 25 12.567 -6.114 0.245 1.00 0.00 H new ATOM 0 HA PHE A 25 12.585 -3.889 2.122 1.00 0.00 H new ATOM 0 HB2 PHE A 25 11.859 -6.816 2.507 1.00 0.00 H new ATOM 0 HB3 PHE A 25 11.376 -5.462 3.510 1.00 0.00 H new ATOM 0 HD1 PHE A 25 10.010 -3.570 2.304 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.450 -7.528 0.791 1.00 0.00 H new ATOM 0 HE1 PHE A 25 7.956 -3.294 0.984 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.396 -7.249 -0.529 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.310 -5.032 -0.641 1.00 0.00 H new ATOM 118 N LYS A 26 14.470 -4.354 3.538 1.00 0.00 N ATOM 119 CA LYS A 26 15.641 -4.484 4.381 1.00 0.00 C ATOM 120 C LYS A 26 15.577 -5.773 5.190 1.00 0.00 C ATOM 121 O LYS A 26 16.589 -6.437 5.409 1.00 0.00 O ATOM 122 CB LYS A 26 15.714 -3.245 5.280 1.00 0.00 C ATOM 123 CG LYS A 26 16.196 -3.503 6.693 1.00 0.00 C ATOM 124 CD LYS A 26 15.065 -3.288 7.684 1.00 0.00 C ATOM 125 CE LYS A 26 14.629 -1.833 7.757 1.00 0.00 C ATOM 126 NZ LYS A 26 15.756 -0.920 8.085 1.00 0.00 N ATOM 0 H LYS A 26 13.991 -3.460 3.645 1.00 0.00 H new ATOM 0 HA LYS A 26 16.546 -4.543 3.777 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.377 -2.516 4.814 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.724 -2.791 5.328 1.00 0.00 H new ATOM 0 HG2 LYS A 26 16.572 -4.523 6.776 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.026 -2.837 6.928 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.213 -3.906 7.399 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.383 -3.619 8.672 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.193 -1.539 6.802 1.00 0.00 H new ATOM 0 HE3 LYS A 26 13.848 -1.728 8.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.381 0.011 8.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.304 -1.315 8.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.372 -0.817 7.254 1.00 0.00 H new ATOM 140 N ASP A 27 14.372 -6.108 5.610 1.00 0.00 N ATOM 141 CA ASP A 27 14.085 -7.362 6.280 1.00 0.00 C ATOM 142 C ASP A 27 12.591 -7.620 6.181 1.00 0.00 C ATOM 143 O ASP A 27 11.895 -6.894 5.467 1.00 0.00 O ATOM 144 CB ASP A 27 14.537 -7.334 7.749 1.00 0.00 C ATOM 145 CG ASP A 27 13.850 -6.262 8.576 1.00 0.00 C ATOM 146 OD1 ASP A 27 13.027 -5.499 8.025 1.00 0.00 O ATOM 147 OD2 ASP A 27 14.137 -6.173 9.790 1.00 0.00 O ATOM 0 H ASP A 27 13.554 -5.509 5.494 1.00 0.00 H new ATOM 0 HA ASP A 27 14.639 -8.166 5.797 1.00 0.00 H new ATOM 0 HB2 ASP A 27 14.343 -8.308 8.199 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.615 -7.175 7.786 1.00 0.00 H new ATOM 152 N GLU A 28 12.080 -8.619 6.882 1.00 0.00 N ATOM 153 CA GLU A 28 10.651 -8.878 6.850 1.00 0.00 C ATOM 154 C GLU A 28 9.897 -7.728 7.514 1.00 0.00 C ATOM 155 O GLU A 28 8.751 -7.455 7.171 1.00 0.00 O ATOM 156 CB GLU A 28 10.296 -10.222 7.511 1.00 0.00 C ATOM 157 CG GLU A 28 10.441 -10.261 9.030 1.00 0.00 C ATOM 158 CD GLU A 28 11.879 -10.335 9.507 1.00 0.00 C ATOM 159 OE1 GLU A 28 12.786 -10.515 8.668 1.00 0.00 O ATOM 160 OE2 GLU A 28 12.105 -10.220 10.732 1.00 0.00 O ATOM 0 H GLU A 28 12.622 -9.253 7.470 1.00 0.00 H new ATOM 0 HA GLU A 28 10.345 -8.947 5.806 1.00 0.00 H new ATOM 0 HB2 GLU A 28 9.267 -10.474 7.254 1.00 0.00 H new ATOM 0 HB3 GLU A 28 10.930 -10.998 7.082 1.00 0.00 H new ATOM 0 HG2 GLU A 28 9.973 -9.372 9.453 1.00 0.00 H new ATOM 0 HG3 GLU A 28 9.896 -11.122 9.416 1.00 0.00 H new ATOM 167 N ALA A 29 10.568 -7.027 8.428 1.00 0.00 N ATOM 168 CA ALA A 29 9.970 -5.896 9.131 1.00 0.00 C ATOM 169 C ALA A 29 9.642 -4.770 8.169 1.00 0.00 C ATOM 170 O ALA A 29 8.590 -4.135 8.277 1.00 0.00 O ATOM 171 CB ALA A 29 10.894 -5.371 10.208 1.00 0.00 C ATOM 0 H ALA A 29 11.531 -7.225 8.699 1.00 0.00 H new ATOM 0 HA ALA A 29 9.051 -6.256 9.593 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.422 -4.529 10.714 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.097 -6.162 10.931 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.830 -5.044 9.756 1.00 0.00 H new ATOM 177 N GLN A 30 10.551 -4.506 7.235 1.00 0.00 N ATOM 178 CA GLN A 30 10.304 -3.494 6.220 1.00 0.00 C ATOM 179 C GLN A 30 9.074 -3.881 5.416 1.00 0.00 C ATOM 180 O GLN A 30 8.257 -3.038 5.044 1.00 0.00 O ATOM 181 CB GLN A 30 11.501 -3.314 5.278 1.00 0.00 C ATOM 182 CG GLN A 30 11.426 -2.008 4.521 1.00 0.00 C ATOM 183 CD GLN A 30 12.767 -1.524 4.021 1.00 0.00 C ATOM 184 OE1 GLN A 30 13.228 -1.926 2.958 1.00 0.00 O ATOM 185 NE2 GLN A 30 13.383 -0.625 4.770 1.00 0.00 N ATOM 0 H GLN A 30 11.454 -4.974 7.162 1.00 0.00 H new ATOM 0 HA GLN A 30 10.143 -2.543 6.728 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.426 -3.348 5.854 1.00 0.00 H new ATOM 0 HB3 GLN A 30 11.535 -4.143 4.571 1.00 0.00 H new ATOM 0 HG2 GLN A 30 10.752 -2.127 3.673 1.00 0.00 H new ATOM 0 HG3 GLN A 30 10.992 -1.246 5.168 1.00 0.00 H new ATOM 0 HE21 GLN A 30 12.963 -0.319 5.648 1.00 0.00 H new ATOM 0 HE22 GLN A 30 14.278 -0.238 4.470 1.00 0.00 H new ATOM 194 N GLU A 31 8.937 -5.178 5.181 1.00 0.00 N ATOM 195 CA GLU A 31 7.799 -5.710 4.449 1.00 0.00 C ATOM 196 C GLU A 31 6.538 -5.711 5.327 1.00 0.00 C ATOM 197 O GLU A 31 5.419 -5.760 4.821 1.00 0.00 O ATOM 198 CB GLU A 31 8.128 -7.120 3.949 1.00 0.00 C ATOM 199 CG GLU A 31 7.042 -7.726 3.079 1.00 0.00 C ATOM 200 CD GLU A 31 7.374 -9.128 2.611 1.00 0.00 C ATOM 201 OE1 GLU A 31 8.099 -9.276 1.604 1.00 0.00 O ATOM 202 OE2 GLU A 31 6.887 -10.090 3.236 1.00 0.00 O ATOM 0 H GLU A 31 9.605 -5.884 5.489 1.00 0.00 H new ATOM 0 HA GLU A 31 7.596 -5.072 3.589 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.059 -7.088 3.383 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.299 -7.770 4.807 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.106 -7.747 3.637 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.881 -7.087 2.211 1.00 0.00 H new ATOM 209 N GLN A 32 6.726 -5.639 6.642 1.00 0.00 N ATOM 210 CA GLN A 32 5.609 -5.531 7.580 1.00 0.00 C ATOM 211 C GLN A 32 5.046 -4.116 7.552 1.00 0.00 C ATOM 212 O GLN A 32 3.847 -3.908 7.708 1.00 0.00 O ATOM 213 CB GLN A 32 6.060 -5.859 9.006 1.00 0.00 C ATOM 214 CG GLN A 32 6.607 -7.264 9.177 1.00 0.00 C ATOM 215 CD GLN A 32 7.099 -7.542 10.584 1.00 0.00 C ATOM 216 OE1 GLN A 32 8.006 -8.352 10.786 1.00 0.00 O ATOM 217 NE2 GLN A 32 6.512 -6.876 11.569 1.00 0.00 N ATOM 0 H GLN A 32 7.645 -5.653 7.085 1.00 0.00 H new ATOM 0 HA GLN A 32 4.842 -6.244 7.278 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.826 -5.144 9.307 1.00 0.00 H new ATOM 0 HB3 GLN A 32 5.216 -5.725 9.682 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.830 -7.984 8.921 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.427 -7.417 8.475 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.764 -6.214 11.362 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.808 -7.026 12.533 1.00 0.00 H new ATOM 226 N GLN A 33 5.924 -3.137 7.380 1.00 0.00 N ATOM 227 CA GLN A 33 5.479 -1.767 7.144 1.00 0.00 C ATOM 228 C GLN A 33 4.684 -1.733 5.858 1.00 0.00 C ATOM 229 O GLN A 33 3.600 -1.162 5.787 1.00 0.00 O ATOM 230 CB GLN A 33 6.661 -0.812 7.029 1.00 0.00 C ATOM 231 CG GLN A 33 6.253 0.641 6.861 1.00 0.00 C ATOM 232 CD GLN A 33 7.450 1.558 6.713 1.00 0.00 C ATOM 233 OE1 GLN A 33 7.365 2.612 6.084 1.00 0.00 O ATOM 234 NE2 GLN A 33 8.571 1.172 7.301 1.00 0.00 N ATOM 0 H GLN A 33 6.936 -3.261 7.399 1.00 0.00 H new ATOM 0 HA GLN A 33 4.867 -1.448 7.987 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.282 -0.906 7.920 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.276 -1.109 6.179 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.613 0.738 5.984 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.663 0.953 7.723 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.601 0.291 7.813 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.405 1.756 7.242 1.00 0.00 H new ATOM 243 N PHE A 34 5.242 -2.393 4.859 1.00 0.00 N ATOM 244 CA PHE A 34 4.607 -2.555 3.565 1.00 0.00 C ATOM 245 C PHE A 34 3.252 -3.239 3.737 1.00 0.00 C ATOM 246 O PHE A 34 2.297 -2.943 3.024 1.00 0.00 O ATOM 247 CB PHE A 34 5.537 -3.384 2.678 1.00 0.00 C ATOM 248 CG PHE A 34 5.113 -3.518 1.250 1.00 0.00 C ATOM 249 CD1 PHE A 34 5.055 -2.408 0.424 1.00 0.00 C ATOM 250 CD2 PHE A 34 4.807 -4.759 0.722 1.00 0.00 C ATOM 251 CE1 PHE A 34 4.697 -2.536 -0.900 1.00 0.00 C ATOM 252 CE2 PHE A 34 4.446 -4.892 -0.601 1.00 0.00 C ATOM 253 CZ PHE A 34 4.393 -3.779 -1.415 1.00 0.00 C ATOM 0 H PHE A 34 6.158 -2.836 4.925 1.00 0.00 H new ATOM 0 HA PHE A 34 4.432 -1.587 3.097 1.00 0.00 H new ATOM 0 HB2 PHE A 34 6.530 -2.936 2.704 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.627 -4.382 3.108 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.293 -1.432 0.822 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.852 -5.634 1.354 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.654 -1.663 -1.535 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.205 -5.866 -1.000 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.114 -3.881 -2.453 1.00 0.00 H new ATOM 263 N ARG A 35 3.189 -4.150 4.706 1.00 0.00 N ATOM 264 CA ARG A 35 1.952 -4.839 5.061 1.00 0.00 C ATOM 265 C ARG A 35 0.904 -3.853 5.577 1.00 0.00 C ATOM 266 O ARG A 35 -0.207 -3.779 5.059 1.00 0.00 O ATOM 267 CB ARG A 35 2.247 -5.858 6.167 1.00 0.00 C ATOM 268 CG ARG A 35 1.988 -7.299 5.789 1.00 0.00 C ATOM 269 CD ARG A 35 2.857 -7.741 4.632 1.00 0.00 C ATOM 270 NE ARG A 35 2.098 -8.535 3.665 1.00 0.00 N ATOM 271 CZ ARG A 35 2.645 -9.340 2.759 1.00 0.00 C ATOM 272 NH1 ARG A 35 3.963 -9.469 2.685 1.00 0.00 N ATOM 273 NH2 ARG A 35 1.869 -10.029 1.935 1.00 0.00 N ATOM 0 H ARG A 35 3.994 -4.431 5.266 1.00 0.00 H new ATOM 0 HA ARG A 35 1.565 -5.333 4.170 1.00 0.00 H new ATOM 0 HB2 ARG A 35 3.291 -5.757 6.465 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.641 -5.612 7.039 1.00 0.00 H new ATOM 0 HG2 ARG A 35 2.176 -7.940 6.650 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.938 -7.422 5.523 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.277 -6.866 4.136 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.695 -8.328 5.008 1.00 0.00 H new ATOM 0 HE ARG A 35 1.081 -8.466 3.688 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.563 -8.949 3.325 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.376 -10.088 1.988 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.855 -9.941 1.997 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.286 -10.647 1.239 1.00 0.00 H new ATOM 287 N GLN A 36 1.297 -3.056 6.562 1.00 0.00 N ATOM 288 CA GLN A 36 0.379 -2.145 7.241 1.00 0.00 C ATOM 289 C GLN A 36 -0.041 -1.009 6.330 1.00 0.00 C ATOM 290 O GLN A 36 -1.210 -0.617 6.305 1.00 0.00 O ATOM 291 CB GLN A 36 1.038 -1.570 8.494 1.00 0.00 C ATOM 292 CG GLN A 36 1.438 -2.627 9.509 1.00 0.00 C ATOM 293 CD GLN A 36 2.357 -2.087 10.580 1.00 0.00 C ATOM 294 OE1 GLN A 36 1.910 -1.590 11.613 1.00 0.00 O ATOM 295 NE2 GLN A 36 3.654 -2.186 10.343 1.00 0.00 N ATOM 0 H GLN A 36 2.254 -3.021 6.913 1.00 0.00 H new ATOM 0 HA GLN A 36 -0.508 -2.714 7.520 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.923 -1.005 8.202 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.352 -0.867 8.965 1.00 0.00 H new ATOM 0 HG2 GLN A 36 0.541 -3.034 9.976 1.00 0.00 H new ATOM 0 HG3 GLN A 36 1.931 -3.451 8.994 1.00 0.00 H new ATOM 0 HE21 GLN A 36 3.983 -2.605 9.473 1.00 0.00 H new ATOM 0 HE22 GLN A 36 4.326 -1.843 11.030 1.00 0.00 H new ATOM 304 N LEU A 37 0.918 -0.494 5.584 1.00 0.00 N ATOM 305 CA LEU A 37 0.686 0.634 4.701 1.00 0.00 C ATOM 306 C LEU A 37 -0.286 0.270 3.574 1.00 0.00 C ATOM 307 O LEU A 37 -0.928 1.145 3.000 1.00 0.00 O ATOM 308 CB LEU A 37 2.020 1.152 4.144 1.00 0.00 C ATOM 309 CG LEU A 37 2.999 1.693 5.192 1.00 0.00 C ATOM 310 CD1 LEU A 37 4.233 2.282 4.527 1.00 0.00 C ATOM 311 CD2 LEU A 37 2.328 2.717 6.094 1.00 0.00 C ATOM 0 H LEU A 37 1.876 -0.844 5.573 1.00 0.00 H new ATOM 0 HA LEU A 37 0.221 1.433 5.279 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.507 0.343 3.599 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.812 1.942 3.423 1.00 0.00 H new ATOM 0 HG LEU A 37 3.316 0.857 5.816 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.913 2.659 5.291 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.735 1.510 3.943 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.937 3.099 3.869 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.047 3.083 6.827 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.967 3.551 5.492 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.488 2.252 6.610 1.00 0.00 H new ATOM 323 N THR A 38 -0.400 -1.018 3.260 1.00 0.00 N ATOM 324 CA THR A 38 -1.319 -1.455 2.215 1.00 0.00 C ATOM 325 C THR A 38 -2.607 -2.054 2.787 1.00 0.00 C ATOM 326 O THR A 38 -3.625 -2.111 2.095 1.00 0.00 O ATOM 327 CB THR A 38 -0.661 -2.473 1.268 1.00 0.00 C ATOM 328 OG1 THR A 38 -0.026 -3.523 2.006 1.00 0.00 O ATOM 329 CG2 THR A 38 0.351 -1.784 0.371 1.00 0.00 C ATOM 0 H THR A 38 0.126 -1.768 3.708 1.00 0.00 H new ATOM 0 HA THR A 38 -1.577 -0.559 1.651 1.00 0.00 H new ATOM 0 HB THR A 38 -1.444 -2.912 0.649 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.823 -3.198 2.372 1.00 0.00 H new ATOM 0 HG21 THR A 38 0.808 -2.518 -0.293 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.150 -1.020 -0.223 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.123 -1.319 0.984 1.00 0.00 H new ATOM 337 N GLU A 39 -2.576 -2.491 4.045 1.00 0.00 N ATOM 338 CA GLU A 39 -3.738 -3.146 4.637 1.00 0.00 C ATOM 339 C GLU A 39 -4.608 -2.176 5.435 1.00 0.00 C ATOM 340 O GLU A 39 -5.690 -2.541 5.896 1.00 0.00 O ATOM 341 CB GLU A 39 -3.317 -4.335 5.501 1.00 0.00 C ATOM 342 CG GLU A 39 -2.781 -5.499 4.679 1.00 0.00 C ATOM 343 CD GLU A 39 -2.487 -6.730 5.508 1.00 0.00 C ATOM 344 OE1 GLU A 39 -3.446 -7.379 5.976 1.00 0.00 O ATOM 345 OE2 GLU A 39 -1.300 -7.074 5.672 1.00 0.00 O ATOM 0 H GLU A 39 -1.771 -2.405 4.665 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.346 -3.516 3.812 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.552 -4.012 6.208 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.171 -4.673 6.088 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.507 -5.754 3.907 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.870 -5.186 4.169 1.00 0.00 H new ATOM 352 N GLU A 40 -4.142 -0.944 5.603 1.00 0.00 N ATOM 353 CA GLU A 40 -4.979 0.098 6.185 1.00 0.00 C ATOM 354 C GLU A 40 -5.575 0.936 5.055 1.00 0.00 C ATOM 355 O GLU A 40 -6.136 2.011 5.264 1.00 0.00 O ATOM 356 CB GLU A 40 -4.182 0.968 7.166 1.00 0.00 C ATOM 357 CG GLU A 40 -5.060 1.876 8.015 1.00 0.00 C ATOM 358 CD GLU A 40 -4.311 2.541 9.150 1.00 0.00 C ATOM 359 OE1 GLU A 40 -3.758 3.638 8.936 1.00 0.00 O ATOM 360 OE2 GLU A 40 -4.254 1.969 10.258 1.00 0.00 O ATOM 0 H GLU A 40 -3.201 -0.644 5.348 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.785 -0.361 6.757 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.598 0.322 7.822 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.474 1.579 6.606 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.499 2.645 7.379 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.885 1.293 8.425 1.00 0.00 H new ATOM 367 N LEU A 41 -5.452 0.409 3.849 1.00 0.00 N ATOM 368 CA LEU A 41 -5.964 1.067 2.666 1.00 0.00 C ATOM 369 C LEU A 41 -7.271 0.421 2.222 1.00 0.00 C ATOM 370 O LEU A 41 -7.376 -0.804 2.150 1.00 0.00 O ATOM 371 CB LEU A 41 -4.922 1.011 1.544 1.00 0.00 C ATOM 372 CG LEU A 41 -5.398 1.499 0.177 1.00 0.00 C ATOM 373 CD1 LEU A 41 -6.044 2.866 0.294 1.00 0.00 C ATOM 374 CD2 LEU A 41 -4.237 1.537 -0.800 1.00 0.00 C ATOM 0 H LEU A 41 -4.995 -0.484 3.666 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.165 2.112 2.901 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.060 1.607 1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.578 -0.018 1.443 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.146 0.801 -0.200 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.377 3.197 -0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.900 2.807 0.966 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.320 3.578 0.690 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.589 1.886 -1.770 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.470 2.215 -0.427 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.817 0.537 -0.905 1.00 0.00 H new ATOM 386 N ARG A 42 -8.260 1.251 1.928 1.00 0.00 N ATOM 387 CA ARG A 42 -9.557 0.770 1.494 1.00 0.00 C ATOM 388 C ARG A 42 -9.557 0.584 -0.019 1.00 0.00 C ATOM 389 O ARG A 42 -9.541 1.564 -0.766 1.00 0.00 O ATOM 390 CB ARG A 42 -10.652 1.775 1.876 1.00 0.00 C ATOM 391 CG ARG A 42 -12.027 1.166 2.098 1.00 0.00 C ATOM 392 CD ARG A 42 -13.118 2.204 1.898 1.00 0.00 C ATOM 393 NE ARG A 42 -14.418 1.758 2.396 1.00 0.00 N ATOM 394 CZ ARG A 42 -15.583 2.125 1.864 1.00 0.00 C ATOM 395 NH1 ARG A 42 -15.607 2.866 0.760 1.00 0.00 N ATOM 396 NH2 ARG A 42 -16.722 1.753 2.433 1.00 0.00 N ATOM 0 H ARG A 42 -8.185 2.267 1.983 1.00 0.00 H new ATOM 0 HA ARG A 42 -9.757 -0.183 1.984 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -10.349 2.293 2.786 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -10.726 2.527 1.090 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -12.178 0.336 1.407 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -12.089 0.757 3.106 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.835 3.125 2.407 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.201 2.438 0.837 1.00 0.00 H new ATOM 0 HE ARG A 42 -14.434 1.128 3.198 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.733 3.154 0.320 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -16.499 3.147 0.353 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -16.707 1.185 3.280 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -17.613 2.035 2.024 1.00 0.00 H new ATOM 410 N CYS A 43 -9.568 -0.660 -0.468 1.00 0.00 N ATOM 411 CA CYS A 43 -9.688 -0.945 -1.887 1.00 0.00 C ATOM 412 C CYS A 43 -11.066 -1.538 -2.167 1.00 0.00 C ATOM 413 O CYS A 43 -11.487 -2.490 -1.504 1.00 0.00 O ATOM 414 CB CYS A 43 -8.567 -1.885 -2.351 1.00 0.00 C ATOM 415 SG CYS A 43 -8.602 -2.275 -4.118 1.00 0.00 S ATOM 0 H CYS A 43 -9.496 -1.485 0.127 1.00 0.00 H new ATOM 0 HA CYS A 43 -9.585 -0.019 -2.452 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -7.606 -1.431 -2.111 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -8.631 -2.814 -1.785 1.00 0.00 H new ATOM 0 HG CYS A 43 -7.615 -3.071 -4.406 1.00 0.00 H new ATOM 421 N PRO A 44 -11.801 -0.959 -3.134 1.00 0.00 N ATOM 422 CA PRO A 44 -13.187 -1.345 -3.447 1.00 0.00 C ATOM 423 C PRO A 44 -13.292 -2.693 -4.163 1.00 0.00 C ATOM 424 O PRO A 44 -13.919 -2.803 -5.220 1.00 0.00 O ATOM 425 CB PRO A 44 -13.685 -0.216 -4.367 1.00 0.00 C ATOM 426 CG PRO A 44 -12.631 0.843 -4.320 1.00 0.00 C ATOM 427 CD PRO A 44 -11.349 0.137 -3.999 1.00 0.00 C ATOM 0 HA PRO A 44 -13.773 -1.467 -2.536 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.831 -0.577 -5.385 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -14.645 0.172 -4.025 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -12.560 1.365 -5.274 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.864 1.592 -3.563 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -10.853 -0.232 -4.897 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -10.641 0.791 -3.490 1.00 0.00 H new ATOM 435 N LYS A 45 -12.680 -3.716 -3.587 1.00 0.00 N ATOM 436 CA LYS A 45 -12.771 -5.060 -4.132 1.00 0.00 C ATOM 437 C LYS A 45 -13.770 -5.895 -3.337 1.00 0.00 C ATOM 438 O LYS A 45 -14.357 -6.840 -3.869 1.00 0.00 O ATOM 439 CB LYS A 45 -11.398 -5.732 -4.130 1.00 0.00 C ATOM 440 CG LYS A 45 -11.421 -7.156 -4.655 1.00 0.00 C ATOM 441 CD LYS A 45 -11.910 -7.222 -6.091 1.00 0.00 C ATOM 442 CE LYS A 45 -12.100 -8.660 -6.544 1.00 0.00 C ATOM 443 NZ LYS A 45 -10.830 -9.431 -6.507 1.00 0.00 N ATOM 0 H LYS A 45 -12.115 -3.640 -2.741 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.122 -4.989 -5.161 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -10.712 -5.141 -4.736 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -11.005 -5.734 -3.113 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.420 -7.582 -4.592 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -12.067 -7.766 -4.023 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -12.853 -6.682 -6.182 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -11.194 -6.724 -6.745 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.837 -9.146 -5.905 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.500 -8.670 -7.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.984 -10.374 -6.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.103 -8.928 -7.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.513 -9.531 -5.521 1.00 0.00 H new ATOM 457 N CYS A 46 -13.953 -5.535 -2.062 1.00 0.00 N ATOM 458 CA CYS A 46 -14.839 -6.262 -1.140 1.00 0.00 C ATOM 459 C CYS A 46 -14.267 -7.631 -0.777 1.00 0.00 C ATOM 460 O CYS A 46 -14.060 -7.941 0.397 1.00 0.00 O ATOM 461 CB CYS A 46 -16.245 -6.423 -1.722 1.00 0.00 C ATOM 462 SG CYS A 46 -17.117 -4.864 -2.008 1.00 0.00 S ATOM 0 H CYS A 46 -13.491 -4.731 -1.638 1.00 0.00 H new ATOM 0 HA CYS A 46 -14.907 -5.663 -0.232 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -16.175 -6.965 -2.665 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -16.837 -7.038 -1.045 1.00 0.00 H new ATOM 0 HG CYS A 46 -18.294 -5.109 -2.503 1.00 0.00 H new ATOM 468 N GLN A 47 -14.015 -8.442 -1.794 1.00 0.00 N ATOM 469 CA GLN A 47 -13.460 -9.772 -1.611 1.00 0.00 C ATOM 470 C GLN A 47 -12.035 -9.672 -1.088 1.00 0.00 C ATOM 471 O GLN A 47 -11.593 -10.488 -0.282 1.00 0.00 O ATOM 472 CB GLN A 47 -13.492 -10.519 -2.938 1.00 0.00 C ATOM 473 CG GLN A 47 -14.840 -10.443 -3.645 1.00 0.00 C ATOM 474 CD GLN A 47 -15.937 -11.275 -2.992 1.00 0.00 C ATOM 475 OE1 GLN A 47 -15.908 -11.411 -1.674 1.00 0.00 O flip ATOM 476 NE2 GLN A 47 -16.824 -11.783 -3.679 1.00 0.00 N flip ATOM 0 H GLN A 47 -14.190 -8.195 -2.768 1.00 0.00 H new ATOM 0 HA GLN A 47 -14.056 -10.320 -0.881 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -12.723 -10.111 -3.594 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -13.241 -11.565 -2.763 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -15.161 -9.402 -3.679 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -14.715 -10.772 -4.677 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -16.818 -11.660 -4.692 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -17.564 -12.327 -3.235 1.00 0.00 H new ATOM 485 N ASN A 48 -11.328 -8.659 -1.560 1.00 0.00 N ATOM 486 CA ASN A 48 -10.006 -8.333 -1.052 1.00 0.00 C ATOM 487 C ASN A 48 -10.081 -6.975 -0.377 1.00 0.00 C ATOM 488 O ASN A 48 -10.415 -5.976 -1.016 1.00 0.00 O ATOM 489 CB ASN A 48 -8.966 -8.307 -2.177 1.00 0.00 C ATOM 490 CG ASN A 48 -8.942 -9.587 -2.993 1.00 0.00 C ATOM 491 OD1 ASN A 48 -9.643 -9.708 -4.000 1.00 0.00 O ATOM 492 ND2 ASN A 48 -8.130 -10.547 -2.583 1.00 0.00 N ATOM 0 H ASN A 48 -11.653 -8.041 -2.304 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.694 -9.098 -0.341 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.175 -7.465 -2.838 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -7.979 -8.138 -1.748 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -8.070 -11.421 -3.105 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -7.564 -10.413 -1.745 1.00 0.00 H new ATOM 499 N ASN A 49 -9.801 -6.946 0.915 1.00 0.00 N ATOM 500 CA ASN A 49 -9.952 -5.730 1.701 1.00 0.00 C ATOM 501 C ASN A 49 -8.836 -4.748 1.393 1.00 0.00 C ATOM 502 O ASN A 49 -9.032 -3.534 1.437 1.00 0.00 O ATOM 503 CB ASN A 49 -9.938 -6.054 3.197 1.00 0.00 C ATOM 504 CG ASN A 49 -10.928 -7.135 3.586 1.00 0.00 C ATOM 505 OD1 ASN A 49 -10.598 -8.319 3.583 1.00 0.00 O ATOM 506 ND2 ASN A 49 -12.141 -6.739 3.932 1.00 0.00 N ATOM 0 H ASN A 49 -9.467 -7.752 1.444 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.908 -5.279 1.437 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.935 -6.369 3.484 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -10.160 -5.148 3.760 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -12.842 -7.426 4.210 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -12.376 -5.746 3.921 1.00 0.00 H new ATOM 513 N SER A 50 -7.670 -5.280 1.071 1.00 0.00 N ATOM 514 CA SER A 50 -6.495 -4.462 0.861 1.00 0.00 C ATOM 515 C SER A 50 -5.791 -4.838 -0.439 1.00 0.00 C ATOM 516 O SER A 50 -6.008 -5.920 -0.987 1.00 0.00 O ATOM 517 CB SER A 50 -5.552 -4.631 2.049 1.00 0.00 C ATOM 518 OG SER A 50 -5.327 -6.003 2.327 1.00 0.00 O ATOM 0 H SER A 50 -7.514 -6.281 0.949 1.00 0.00 H new ATOM 0 HA SER A 50 -6.798 -3.418 0.780 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.603 -4.139 1.838 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.976 -4.143 2.927 1.00 0.00 H new ATOM 0 HG SER A 50 -5.623 -6.205 3.239 1.00 0.00 H new ATOM 524 N ILE A 51 -4.931 -3.938 -0.911 1.00 0.00 N ATOM 525 CA ILE A 51 -4.202 -4.131 -2.164 1.00 0.00 C ATOM 526 C ILE A 51 -3.005 -5.065 -1.973 1.00 0.00 C ATOM 527 O ILE A 51 -2.097 -5.103 -2.804 1.00 0.00 O ATOM 528 CB ILE A 51 -3.690 -2.786 -2.722 1.00 0.00 C ATOM 529 CG1 ILE A 51 -2.723 -2.126 -1.729 1.00 0.00 C ATOM 530 CG2 ILE A 51 -4.864 -1.866 -3.033 1.00 0.00 C ATOM 531 CD1 ILE A 51 -2.038 -0.893 -2.275 1.00 0.00 C ATOM 0 H ILE A 51 -4.720 -3.059 -0.439 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.902 -4.578 -2.870 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.146 -2.973 -3.648 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.271 -1.856 -0.826 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.965 -2.852 -1.436 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.491 -0.920 -3.426 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.509 -2.338 -3.774 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.433 -1.681 -2.122 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.371 -0.482 -1.517 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.461 -1.159 -3.161 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.788 -0.148 -2.541 1.00 0.00 H new ATOM 543 N ALA A 52 -3.010 -5.814 -0.878 1.00 0.00 N ATOM 544 CA ALA A 52 -1.894 -6.684 -0.537 1.00 0.00 C ATOM 545 C ALA A 52 -2.013 -8.043 -1.217 1.00 0.00 C ATOM 546 O ALA A 52 -1.013 -8.630 -1.631 1.00 0.00 O ATOM 547 CB ALA A 52 -1.804 -6.849 0.973 1.00 0.00 C ATOM 0 H ALA A 52 -3.779 -5.836 -0.208 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.979 -6.216 -0.900 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.966 -7.502 1.218 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.653 -5.874 1.437 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.728 -7.289 1.347 1.00 0.00 H new ATOM 553 N ASP A 53 -3.237 -8.533 -1.332 1.00 0.00 N ATOM 554 CA ASP A 53 -3.485 -9.849 -1.917 1.00 0.00 C ATOM 555 C ASP A 53 -4.428 -9.743 -3.107 1.00 0.00 C ATOM 556 O ASP A 53 -5.033 -10.729 -3.533 1.00 0.00 O ATOM 557 CB ASP A 53 -4.054 -10.809 -0.866 1.00 0.00 C ATOM 558 CG ASP A 53 -5.250 -10.233 -0.135 1.00 0.00 C ATOM 559 OD1 ASP A 53 -5.063 -9.558 0.894 1.00 0.00 O ATOM 560 OD2 ASP A 53 -6.389 -10.450 -0.598 1.00 0.00 O ATOM 0 H ASP A 53 -4.078 -8.042 -1.029 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.534 -10.248 -2.269 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.344 -11.741 -1.350 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.275 -11.054 -0.144 1.00 0.00 H new ATOM 565 N SER A 54 -4.539 -8.540 -3.645 1.00 0.00 N ATOM 566 CA SER A 54 -5.360 -8.300 -4.819 1.00 0.00 C ATOM 567 C SER A 54 -4.558 -8.548 -6.096 1.00 0.00 C ATOM 568 O SER A 54 -3.398 -8.150 -6.199 1.00 0.00 O ATOM 569 CB SER A 54 -5.887 -6.870 -4.786 1.00 0.00 C ATOM 570 OG SER A 54 -4.846 -5.966 -4.470 1.00 0.00 O ATOM 0 H SER A 54 -4.068 -7.710 -3.285 1.00 0.00 H new ATOM 0 HA SER A 54 -6.203 -8.991 -4.813 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.319 -6.613 -5.753 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.685 -6.787 -4.048 1.00 0.00 H new ATOM 0 HG SER A 54 -4.044 -6.198 -4.984 1.00 0.00 H new ATOM 576 N ASN A 55 -5.192 -9.192 -7.068 1.00 0.00 N ATOM 577 CA ASN A 55 -4.526 -9.584 -8.313 1.00 0.00 C ATOM 578 C ASN A 55 -4.472 -8.438 -9.316 1.00 0.00 C ATOM 579 O ASN A 55 -4.078 -8.621 -10.470 1.00 0.00 O ATOM 580 CB ASN A 55 -5.252 -10.776 -8.935 1.00 0.00 C ATOM 581 CG ASN A 55 -5.189 -12.012 -8.063 1.00 0.00 C ATOM 582 OD1 ASN A 55 -6.031 -12.210 -7.183 1.00 0.00 O ATOM 583 ND2 ASN A 55 -4.203 -12.858 -8.304 1.00 0.00 N ATOM 0 H ASN A 55 -6.176 -9.458 -7.021 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.501 -9.859 -8.066 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -6.295 -10.511 -9.110 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.812 -10.998 -9.907 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.118 -13.712 -7.753 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.527 -12.657 -9.041 1.00 0.00 H new ATOM 590 N SER A 56 -4.870 -7.258 -8.878 1.00 0.00 N ATOM 591 CA SER A 56 -4.863 -6.089 -9.737 1.00 0.00 C ATOM 592 C SER A 56 -3.439 -5.610 -10.001 1.00 0.00 C ATOM 593 O SER A 56 -2.607 -5.519 -9.091 1.00 0.00 O ATOM 594 CB SER A 56 -5.685 -4.960 -9.115 1.00 0.00 C ATOM 595 OG SER A 56 -5.630 -3.786 -9.911 1.00 0.00 O ATOM 0 H SER A 56 -5.203 -7.084 -7.930 1.00 0.00 H new ATOM 0 HA SER A 56 -5.313 -6.373 -10.688 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.721 -5.279 -9.005 1.00 0.00 H new ATOM 0 HB3 SER A 56 -5.310 -4.742 -8.115 1.00 0.00 H new ATOM 0 HG SER A 56 -6.386 -3.204 -9.688 1.00 0.00 H new ATOM 601 N MET A 57 -3.175 -5.312 -11.265 1.00 0.00 N ATOM 602 CA MET A 57 -1.902 -4.748 -11.686 1.00 0.00 C ATOM 603 C MET A 57 -1.733 -3.372 -11.070 1.00 0.00 C ATOM 604 O MET A 57 -0.635 -2.961 -10.707 1.00 0.00 O ATOM 605 CB MET A 57 -1.855 -4.610 -13.208 1.00 0.00 C ATOM 606 CG MET A 57 -2.661 -5.657 -13.948 1.00 0.00 C ATOM 607 SD MET A 57 -4.014 -4.941 -14.900 1.00 0.00 S ATOM 608 CE MET A 57 -5.125 -4.412 -13.595 1.00 0.00 C ATOM 0 H MET A 57 -3.838 -5.455 -12.027 1.00 0.00 H new ATOM 0 HA MET A 57 -1.103 -5.413 -11.359 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.222 -3.622 -13.484 1.00 0.00 H new ATOM 0 HB3 MET A 57 -0.817 -4.667 -13.536 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.003 -6.211 -14.618 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.064 -6.374 -13.232 1.00 0.00 H new ATOM 0 HE1 MET A 57 -5.876 -3.739 -14.008 1.00 0.00 H new ATOM 0 HE2 MET A 57 -5.617 -5.282 -13.161 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.558 -3.893 -12.822 1.00 0.00 H new ATOM 618 N ILE A 58 -2.852 -2.675 -10.942 1.00 0.00 N ATOM 619 CA ILE A 58 -2.858 -1.319 -10.433 1.00 0.00 C ATOM 620 C ILE A 58 -2.730 -1.345 -8.907 1.00 0.00 C ATOM 621 O ILE A 58 -2.180 -0.423 -8.307 1.00 0.00 O ATOM 622 CB ILE A 58 -4.123 -0.545 -10.920 1.00 0.00 C ATOM 623 CG1 ILE A 58 -5.190 -0.415 -9.832 1.00 0.00 C ATOM 624 CG2 ILE A 58 -4.714 -1.229 -12.146 1.00 0.00 C ATOM 625 CD1 ILE A 58 -4.960 0.764 -8.913 1.00 0.00 C ATOM 0 H ILE A 58 -3.775 -3.034 -11.187 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.000 -0.776 -10.828 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.800 0.464 -11.176 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.169 -0.317 -10.301 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.211 -1.330 -9.241 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.596 -0.682 -12.478 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.974 -1.245 -12.946 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.995 -2.251 -11.892 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.751 0.801 -8.164 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.995 0.656 -8.417 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.968 1.686 -9.495 1.00 0.00 H new ATOM 637 N ALA A 59 -3.232 -2.411 -8.283 1.00 0.00 N ATOM 638 CA ALA A 59 -2.973 -2.650 -6.865 1.00 0.00 C ATOM 639 C ALA A 59 -1.467 -2.731 -6.647 1.00 0.00 C ATOM 640 O ALA A 59 -0.934 -2.183 -5.687 1.00 0.00 O ATOM 641 CB ALA A 59 -3.637 -3.939 -6.398 1.00 0.00 C ATOM 0 H ALA A 59 -3.815 -3.116 -8.733 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.392 -1.829 -6.284 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.428 -4.093 -5.339 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.714 -3.869 -6.549 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.244 -4.779 -6.971 1.00 0.00 H new ATOM 647 N THR A 60 -0.791 -3.399 -7.576 1.00 0.00 N ATOM 648 CA THR A 60 0.660 -3.512 -7.554 1.00 0.00 C ATOM 649 C THR A 60 1.310 -2.141 -7.760 1.00 0.00 C ATOM 650 O THR A 60 2.306 -1.806 -7.115 1.00 0.00 O ATOM 651 CB THR A 60 1.140 -4.486 -8.646 1.00 0.00 C ATOM 652 OG1 THR A 60 0.548 -5.778 -8.441 1.00 0.00 O ATOM 653 CG2 THR A 60 2.652 -4.599 -8.636 1.00 0.00 C ATOM 0 H THR A 60 -1.233 -3.875 -8.362 1.00 0.00 H new ATOM 0 HA THR A 60 0.956 -3.899 -6.579 1.00 0.00 H new ATOM 0 HB THR A 60 0.831 -4.099 -9.617 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.415 -5.728 -8.614 1.00 0.00 H new ATOM 0 HG21 THR A 60 2.970 -5.292 -9.415 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.091 -3.619 -8.821 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.983 -4.968 -7.665 1.00 0.00 H new ATOM 661 N ASP A 61 0.729 -1.361 -8.665 1.00 0.00 N ATOM 662 CA ASP A 61 1.143 0.024 -8.900 1.00 0.00 C ATOM 663 C ASP A 61 1.192 0.789 -7.580 1.00 0.00 C ATOM 664 O ASP A 61 2.183 1.443 -7.250 1.00 0.00 O ATOM 665 CB ASP A 61 0.142 0.712 -9.835 1.00 0.00 C ATOM 666 CG ASP A 61 0.617 2.065 -10.323 1.00 0.00 C ATOM 667 OD1 ASP A 61 1.295 2.120 -11.373 1.00 0.00 O ATOM 668 OD2 ASP A 61 0.284 3.081 -9.679 1.00 0.00 O ATOM 0 H ASP A 61 -0.042 -1.668 -9.258 1.00 0.00 H new ATOM 0 HA ASP A 61 2.133 0.019 -9.355 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.045 0.068 -10.694 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.808 0.833 -9.314 1.00 0.00 H new ATOM 673 N LEU A 62 0.109 0.667 -6.825 1.00 0.00 N ATOM 674 CA LEU A 62 -0.030 1.329 -5.537 1.00 0.00 C ATOM 675 C LEU A 62 0.990 0.795 -4.535 1.00 0.00 C ATOM 676 O LEU A 62 1.517 1.544 -3.713 1.00 0.00 O ATOM 677 CB LEU A 62 -1.444 1.109 -4.999 1.00 0.00 C ATOM 678 CG LEU A 62 -2.574 1.539 -5.931 1.00 0.00 C ATOM 679 CD1 LEU A 62 -3.918 1.226 -5.301 1.00 0.00 C ATOM 680 CD2 LEU A 62 -2.465 3.021 -6.250 1.00 0.00 C ATOM 0 H LEU A 62 -0.700 0.104 -7.090 1.00 0.00 H new ATOM 0 HA LEU A 62 0.151 2.395 -5.675 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.567 0.050 -4.771 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.545 1.651 -4.059 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.489 0.982 -6.864 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.717 1.537 -5.974 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.994 0.154 -5.119 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.011 1.762 -4.356 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.278 3.311 -6.915 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.528 3.597 -5.327 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.510 3.219 -6.737 1.00 0.00 H new ATOM 692 N ARG A 63 1.261 -0.505 -4.613 1.00 0.00 N ATOM 693 CA ARG A 63 2.226 -1.157 -3.728 1.00 0.00 C ATOM 694 C ARG A 63 3.600 -0.502 -3.848 1.00 0.00 C ATOM 695 O ARG A 63 4.287 -0.288 -2.849 1.00 0.00 O ATOM 696 CB ARG A 63 2.331 -2.652 -4.060 1.00 0.00 C ATOM 697 CG ARG A 63 1.053 -3.431 -3.803 1.00 0.00 C ATOM 698 CD ARG A 63 0.972 -3.914 -2.366 1.00 0.00 C ATOM 699 NE ARG A 63 1.392 -5.312 -2.239 1.00 0.00 N ATOM 700 CZ ARG A 63 1.433 -5.985 -1.086 1.00 0.00 C ATOM 701 NH1 ARG A 63 1.106 -5.387 0.055 1.00 0.00 N ATOM 702 NH2 ARG A 63 1.797 -7.264 -1.080 1.00 0.00 N ATOM 0 H ARG A 63 0.822 -1.134 -5.286 1.00 0.00 H new ATOM 0 HA ARG A 63 1.874 -1.044 -2.702 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.608 -2.763 -5.108 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.136 -3.089 -3.470 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.192 -2.801 -4.025 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.005 -4.286 -4.478 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.601 -3.286 -1.735 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.050 -3.807 -2.003 1.00 0.00 H new ATOM 0 HE ARG A 63 1.672 -5.804 -3.088 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.821 -4.408 0.054 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.140 -5.908 0.932 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.044 -7.728 -1.954 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.829 -7.781 -0.201 1.00 0.00 H new ATOM 716 N GLN A 64 3.988 -0.169 -5.072 1.00 0.00 N ATOM 717 CA GLN A 64 5.285 0.444 -5.317 1.00 0.00 C ATOM 718 C GLN A 64 5.344 1.851 -4.742 1.00 0.00 C ATOM 719 O GLN A 64 6.377 2.260 -4.214 1.00 0.00 O ATOM 720 CB GLN A 64 5.603 0.463 -6.810 1.00 0.00 C ATOM 721 CG GLN A 64 5.641 -0.924 -7.431 1.00 0.00 C ATOM 722 CD GLN A 64 6.090 -0.916 -8.880 1.00 0.00 C ATOM 723 OE1 GLN A 64 6.963 0.014 -9.232 1.00 0.00 O flip ATOM 724 NE2 GLN A 64 5.665 -1.754 -9.675 1.00 0.00 N flip ATOM 0 H GLN A 64 3.423 -0.313 -5.909 1.00 0.00 H new ATOM 0 HA GLN A 64 6.039 -0.160 -4.812 1.00 0.00 H new ATOM 0 HB2 GLN A 64 4.856 1.065 -7.327 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.566 0.950 -6.964 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.314 -1.556 -6.852 1.00 0.00 H new ATOM 0 HG3 GLN A 64 4.649 -1.371 -7.367 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.992 -2.455 -9.366 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.986 -1.747 -10.643 1.00 0.00 H new ATOM 733 N LYS A 65 4.232 2.577 -4.823 1.00 0.00 N ATOM 734 CA LYS A 65 4.155 3.909 -4.236 1.00 0.00 C ATOM 735 C LYS A 65 4.477 3.840 -2.751 1.00 0.00 C ATOM 736 O LYS A 65 5.290 4.610 -2.250 1.00 0.00 O ATOM 737 CB LYS A 65 2.768 4.524 -4.435 1.00 0.00 C ATOM 738 CG LYS A 65 2.589 5.854 -3.714 1.00 0.00 C ATOM 739 CD LYS A 65 3.142 7.027 -4.505 1.00 0.00 C ATOM 740 CE LYS A 65 4.596 7.244 -4.160 1.00 0.00 C ATOM 741 NZ LYS A 65 5.200 8.386 -4.894 1.00 0.00 N ATOM 0 H LYS A 65 3.378 2.267 -5.286 1.00 0.00 H new ATOM 0 HA LYS A 65 4.885 4.543 -4.740 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.593 4.670 -5.501 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.013 3.822 -4.081 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.529 6.018 -3.521 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.086 5.807 -2.745 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.038 6.837 -5.573 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.569 7.928 -4.284 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.688 7.418 -3.088 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.157 6.337 -4.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.867 8.885 -4.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.706 8.032 -5.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.450 9.041 -5.194 1.00 0.00 H new ATOM 755 N VAL A 66 3.842 2.896 -2.069 1.00 0.00 N ATOM 756 CA VAL A 66 4.065 2.665 -0.644 1.00 0.00 C ATOM 757 C VAL A 66 5.554 2.508 -0.328 1.00 0.00 C ATOM 758 O VAL A 66 6.048 3.075 0.649 1.00 0.00 O ATOM 759 CB VAL A 66 3.287 1.418 -0.181 1.00 0.00 C ATOM 760 CG1 VAL A 66 3.687 1.025 1.226 1.00 0.00 C ATOM 761 CG2 VAL A 66 1.789 1.675 -0.252 1.00 0.00 C ATOM 0 H VAL A 66 3.156 2.267 -2.487 1.00 0.00 H new ATOM 0 HA VAL A 66 3.700 3.537 -0.102 1.00 0.00 H new ATOM 0 HB VAL A 66 3.534 0.593 -0.849 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.125 0.142 1.531 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.754 0.803 1.252 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.471 1.847 1.909 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.251 0.786 0.078 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.533 2.515 0.394 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.508 1.909 -1.279 1.00 0.00 H new ATOM 771 N TYR A 67 6.273 1.769 -1.164 1.00 0.00 N ATOM 772 CA TYR A 67 7.701 1.571 -0.951 1.00 0.00 C ATOM 773 C TYR A 67 8.476 2.862 -1.222 1.00 0.00 C ATOM 774 O TYR A 67 9.411 3.200 -0.495 1.00 0.00 O ATOM 775 CB TYR A 67 8.231 0.437 -1.831 1.00 0.00 C ATOM 776 CG TYR A 67 9.693 0.114 -1.590 1.00 0.00 C ATOM 777 CD1 TYR A 67 10.099 -0.550 -0.439 1.00 0.00 C ATOM 778 CD2 TYR A 67 10.664 0.467 -2.520 1.00 0.00 C ATOM 779 CE1 TYR A 67 11.429 -0.852 -0.221 1.00 0.00 C ATOM 780 CE2 TYR A 67 11.999 0.169 -2.307 1.00 0.00 C ATOM 781 CZ TYR A 67 12.377 -0.468 -1.137 1.00 0.00 C ATOM 782 OH TYR A 67 13.699 -0.798 -0.942 1.00 0.00 O ATOM 0 H TYR A 67 5.895 1.301 -1.988 1.00 0.00 H new ATOM 0 HA TYR A 67 7.849 1.294 0.093 1.00 0.00 H new ATOM 0 HB2 TYR A 67 7.636 -0.458 -1.653 1.00 0.00 H new ATOM 0 HB3 TYR A 67 8.095 0.707 -2.878 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.362 -0.835 0.298 1.00 0.00 H new ATOM 0 HD2 TYR A 67 10.372 0.982 -3.423 1.00 0.00 H new ATOM 0 HE1 TYR A 67 11.723 -1.389 0.669 1.00 0.00 H new ATOM 0 HE2 TYR A 67 12.740 0.431 -3.048 1.00 0.00 H new ATOM 0 HH TYR A 67 13.759 -1.557 -0.325 1.00 0.00 H new ATOM 792 N GLU A 68 8.090 3.580 -2.274 1.00 0.00 N ATOM 793 CA GLU A 68 8.711 4.865 -2.587 1.00 0.00 C ATOM 794 C GLU A 68 8.482 5.859 -1.449 1.00 0.00 C ATOM 795 O GLU A 68 9.390 6.572 -1.042 1.00 0.00 O ATOM 796 CB GLU A 68 8.150 5.431 -3.895 1.00 0.00 C ATOM 797 CG GLU A 68 8.250 4.468 -5.065 1.00 0.00 C ATOM 798 CD GLU A 68 7.888 5.107 -6.390 1.00 0.00 C ATOM 799 OE1 GLU A 68 6.725 5.532 -6.562 1.00 0.00 O ATOM 800 OE2 GLU A 68 8.770 5.189 -7.271 1.00 0.00 O ATOM 0 H GLU A 68 7.354 3.296 -2.921 1.00 0.00 H new ATOM 0 HA GLU A 68 9.783 4.705 -2.706 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.105 5.701 -3.746 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.684 6.348 -4.143 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.266 4.078 -5.122 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.592 3.618 -4.886 1.00 0.00 H new ATOM 807 N LEU A 69 7.266 5.871 -0.928 1.00 0.00 N ATOM 808 CA LEU A 69 6.877 6.767 0.159 1.00 0.00 C ATOM 809 C LEU A 69 7.733 6.557 1.406 1.00 0.00 C ATOM 810 O LEU A 69 8.008 7.507 2.147 1.00 0.00 O ATOM 811 CB LEU A 69 5.405 6.543 0.477 1.00 0.00 C ATOM 812 CG LEU A 69 4.451 6.941 -0.642 1.00 0.00 C ATOM 813 CD1 LEU A 69 3.091 6.290 -0.458 1.00 0.00 C ATOM 814 CD2 LEU A 69 4.319 8.450 -0.696 1.00 0.00 C ATOM 0 H LEU A 69 6.515 5.259 -1.246 1.00 0.00 H new ATOM 0 HA LEU A 69 7.037 7.796 -0.164 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.253 5.489 0.710 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.150 7.108 1.374 1.00 0.00 H new ATOM 0 HG LEU A 69 4.862 6.588 -1.588 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.430 6.592 -1.271 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.203 5.206 -0.464 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.663 6.605 0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.635 8.727 -1.499 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.930 8.815 0.254 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.297 8.894 -0.883 1.00 0.00 H new ATOM 826 N MET A 70 8.161 5.318 1.631 1.00 0.00 N ATOM 827 CA MET A 70 9.044 5.004 2.751 1.00 0.00 C ATOM 828 C MET A 70 10.338 5.805 2.644 1.00 0.00 C ATOM 829 O MET A 70 10.774 6.446 3.603 1.00 0.00 O ATOM 830 CB MET A 70 9.378 3.511 2.779 1.00 0.00 C ATOM 831 CG MET A 70 8.174 2.607 2.967 1.00 0.00 C ATOM 832 SD MET A 70 8.597 0.860 2.845 1.00 0.00 S ATOM 833 CE MET A 70 6.973 0.127 2.983 1.00 0.00 C ATOM 0 H MET A 70 7.911 4.515 1.053 1.00 0.00 H new ATOM 0 HA MET A 70 8.525 5.269 3.672 1.00 0.00 H new ATOM 0 HB2 MET A 70 9.876 3.244 1.847 1.00 0.00 H new ATOM 0 HB3 MET A 70 10.088 3.324 3.585 1.00 0.00 H new ATOM 0 HG2 MET A 70 7.726 2.802 3.941 1.00 0.00 H new ATOM 0 HG3 MET A 70 7.422 2.849 2.216 1.00 0.00 H new ATOM 0 HE1 MET A 70 6.898 -0.721 2.302 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.813 -0.213 4.006 1.00 0.00 H new ATOM 0 HE3 MET A 70 6.216 0.868 2.725 1.00 0.00 H new ATOM 843 N GLN A 71 10.934 5.781 1.458 1.00 0.00 N ATOM 844 CA GLN A 71 12.188 6.484 1.213 1.00 0.00 C ATOM 845 C GLN A 71 11.943 7.967 0.930 1.00 0.00 C ATOM 846 O GLN A 71 12.869 8.777 0.997 1.00 0.00 O ATOM 847 CB GLN A 71 12.962 5.823 0.067 1.00 0.00 C ATOM 848 CG GLN A 71 12.078 5.353 -1.074 1.00 0.00 C ATOM 849 CD GLN A 71 12.858 4.713 -2.201 1.00 0.00 C ATOM 850 OE1 GLN A 71 14.001 5.074 -2.467 1.00 0.00 O ATOM 851 NE2 GLN A 71 12.249 3.744 -2.863 1.00 0.00 N ATOM 0 H GLN A 71 10.568 5.281 0.648 1.00 0.00 H new ATOM 0 HA GLN A 71 12.796 6.418 2.115 1.00 0.00 H new ATOM 0 HB2 GLN A 71 13.695 6.531 -0.320 1.00 0.00 H new ATOM 0 HB3 GLN A 71 13.518 4.971 0.459 1.00 0.00 H new ATOM 0 HG2 GLN A 71 11.350 4.638 -0.691 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.516 6.202 -1.464 1.00 0.00 H new ATOM 0 HE21 GLN A 71 11.298 3.473 -2.611 1.00 0.00 H new ATOM 0 HE22 GLN A 71 12.730 3.267 -3.626 1.00 0.00 H new ATOM 860 N GLU A 72 10.698 8.320 0.617 1.00 0.00 N ATOM 861 CA GLU A 72 10.311 9.727 0.508 1.00 0.00 C ATOM 862 C GLU A 72 10.325 10.371 1.885 1.00 0.00 C ATOM 863 O GLU A 72 10.472 11.585 2.021 1.00 0.00 O ATOM 864 CB GLU A 72 8.916 9.890 -0.099 1.00 0.00 C ATOM 865 CG GLU A 72 8.811 9.469 -1.552 1.00 0.00 C ATOM 866 CD GLU A 72 7.443 9.747 -2.144 1.00 0.00 C ATOM 867 OE1 GLU A 72 6.798 10.729 -1.720 1.00 0.00 O ATOM 868 OE2 GLU A 72 7.005 8.980 -3.027 1.00 0.00 O ATOM 0 H GLU A 72 9.944 7.658 0.435 1.00 0.00 H new ATOM 0 HA GLU A 72 11.031 10.214 -0.150 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.207 9.306 0.488 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.616 10.934 -0.014 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.568 9.995 -2.134 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.028 8.404 -1.634 1.00 0.00 H new ATOM 875 N GLY A 73 10.137 9.543 2.904 1.00 0.00 N ATOM 876 CA GLY A 73 10.180 10.018 4.266 1.00 0.00 C ATOM 877 C GLY A 73 8.801 10.304 4.801 1.00 0.00 C ATOM 878 O GLY A 73 8.637 11.077 5.744 1.00 0.00 O ATOM 0 H GLY A 73 9.954 8.544 2.806 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.667 9.274 4.896 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.785 10.923 4.317 1.00 0.00 H new ATOM 882 N LYS A 74 7.798 9.688 4.188 1.00 0.00 N ATOM 883 CA LYS A 74 6.425 9.867 4.623 1.00 0.00 C ATOM 884 C LYS A 74 6.208 9.131 5.939 1.00 0.00 C ATOM 885 O LYS A 74 6.966 8.229 6.295 1.00 0.00 O ATOM 886 CB LYS A 74 5.449 9.328 3.579 1.00 0.00 C ATOM 887 CG LYS A 74 5.732 9.799 2.162 1.00 0.00 C ATOM 888 CD LYS A 74 5.368 11.260 1.968 1.00 0.00 C ATOM 889 CE LYS A 74 6.525 12.039 1.372 1.00 0.00 C ATOM 890 NZ LYS A 74 7.534 12.408 2.401 1.00 0.00 N ATOM 0 H LYS A 74 7.912 9.062 3.391 1.00 0.00 H new ATOM 0 HA LYS A 74 6.242 10.933 4.756 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.476 8.239 3.600 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.438 9.627 3.854 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.788 9.655 1.936 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.169 9.188 1.457 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.499 11.337 1.314 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.086 11.698 2.926 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.001 11.443 0.594 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.146 12.943 0.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.588 13.444 2.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.257 12.006 3.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.464 12.033 2.125 1.00 0.00 H new ATOM 904 N SER A 75 5.174 9.518 6.649 1.00 0.00 N ATOM 905 CA SER A 75 4.803 8.858 7.888 1.00 0.00 C ATOM 906 C SER A 75 3.795 7.764 7.578 1.00 0.00 C ATOM 907 O SER A 75 3.251 7.734 6.484 1.00 0.00 O ATOM 908 CB SER A 75 4.215 9.872 8.865 1.00 0.00 C ATOM 909 OG SER A 75 5.109 10.956 9.071 1.00 0.00 O ATOM 0 H SER A 75 4.566 10.295 6.389 1.00 0.00 H new ATOM 0 HA SER A 75 5.684 8.415 8.351 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.266 10.246 8.480 1.00 0.00 H new ATOM 0 HB3 SER A 75 4.003 9.385 9.817 1.00 0.00 H new ATOM 0 HG SER A 75 4.710 11.594 9.699 1.00 0.00 H new ATOM 915 N LYS A 76 3.548 6.875 8.523 1.00 0.00 N ATOM 916 CA LYS A 76 2.634 5.754 8.302 1.00 0.00 C ATOM 917 C LYS A 76 1.285 6.214 7.745 1.00 0.00 C ATOM 918 O LYS A 76 0.871 5.774 6.672 1.00 0.00 O ATOM 919 CB LYS A 76 2.448 4.965 9.594 1.00 0.00 C ATOM 920 CG LYS A 76 3.388 3.768 9.735 1.00 0.00 C ATOM 921 CD LYS A 76 4.866 4.150 9.726 1.00 0.00 C ATOM 922 CE LYS A 76 5.436 4.195 8.318 1.00 0.00 C ATOM 923 NZ LYS A 76 6.911 4.378 8.317 1.00 0.00 N ATOM 0 H LYS A 76 3.965 6.902 9.454 1.00 0.00 H new ATOM 0 HA LYS A 76 3.083 5.103 7.551 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.600 5.634 10.441 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.418 4.613 9.647 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.162 3.246 10.665 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.197 3.068 8.922 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.991 5.124 10.199 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.429 3.432 10.322 1.00 0.00 H new ATOM 0 HE2 LYS A 76 5.185 3.271 7.796 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.970 5.010 7.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.310 3.978 7.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.135 5.392 8.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 7.322 3.891 9.139 1.00 0.00 H new ATOM 937 N LYS A 77 0.608 7.098 8.461 1.00 0.00 N ATOM 938 CA LYS A 77 -0.674 7.631 8.000 1.00 0.00 C ATOM 939 C LYS A 77 -0.467 8.523 6.787 1.00 0.00 C ATOM 940 O LYS A 77 -1.316 8.608 5.907 1.00 0.00 O ATOM 941 CB LYS A 77 -1.363 8.406 9.118 1.00 0.00 C ATOM 942 CG LYS A 77 -1.390 7.645 10.427 1.00 0.00 C ATOM 943 CD LYS A 77 -1.963 6.248 10.243 1.00 0.00 C ATOM 944 CE LYS A 77 -2.044 5.490 11.559 1.00 0.00 C ATOM 945 NZ LYS A 77 -2.496 4.085 11.364 1.00 0.00 N ATOM 0 H LYS A 77 0.919 7.463 9.361 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.314 6.796 7.714 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.850 9.356 9.266 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.384 8.639 8.817 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.380 7.576 10.831 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.988 8.192 11.156 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.958 6.319 9.803 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.343 5.691 9.541 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.066 5.493 12.040 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.732 6.003 12.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -3.328 3.902 11.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -2.746 3.936 10.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.730 3.434 11.630 1.00 0.00 H new ATOM 959 N GLU A 78 0.674 9.182 6.762 1.00 0.00 N ATOM 960 CA GLU A 78 1.049 10.039 5.641 1.00 0.00 C ATOM 961 C GLU A 78 1.142 9.235 4.343 1.00 0.00 C ATOM 962 O GLU A 78 0.725 9.708 3.294 1.00 0.00 O ATOM 963 CB GLU A 78 2.382 10.734 5.936 1.00 0.00 C ATOM 964 CG GLU A 78 2.899 11.615 4.810 1.00 0.00 C ATOM 965 CD GLU A 78 2.089 12.882 4.644 1.00 0.00 C ATOM 966 OE1 GLU A 78 2.373 13.876 5.337 1.00 0.00 O ATOM 967 OE2 GLU A 78 1.159 12.887 3.811 1.00 0.00 O ATOM 0 H GLU A 78 1.367 9.143 7.509 1.00 0.00 H new ATOM 0 HA GLU A 78 0.275 10.796 5.513 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.269 11.343 6.833 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.131 9.974 6.159 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.939 11.876 5.006 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.882 11.052 3.877 1.00 0.00 H new ATOM 974 N ILE A 79 1.686 8.020 4.416 1.00 0.00 N ATOM 975 CA ILE A 79 1.774 7.158 3.239 1.00 0.00 C ATOM 976 C ILE A 79 0.388 6.886 2.666 1.00 0.00 C ATOM 977 O ILE A 79 0.142 7.130 1.489 1.00 0.00 O ATOM 978 CB ILE A 79 2.481 5.804 3.540 1.00 0.00 C ATOM 979 CG1 ILE A 79 3.990 5.897 3.303 1.00 0.00 C ATOM 980 CG2 ILE A 79 1.894 4.681 2.692 1.00 0.00 C ATOM 981 CD1 ILE A 79 4.819 6.030 4.560 1.00 0.00 C ATOM 0 H ILE A 79 2.069 7.614 5.270 1.00 0.00 H new ATOM 0 HA ILE A 79 2.379 7.696 2.509 1.00 0.00 H new ATOM 0 HB ILE A 79 2.310 5.578 4.593 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.315 5.008 2.762 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.191 6.753 2.659 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.405 3.746 2.922 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.831 4.577 2.911 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.025 4.916 1.636 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.875 6.089 4.295 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.528 6.934 5.094 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.653 5.162 5.199 1.00 0.00 H new ATOM 993 N VAL A 80 -0.520 6.415 3.511 1.00 0.00 N ATOM 994 CA VAL A 80 -1.865 6.077 3.065 1.00 0.00 C ATOM 995 C VAL A 80 -2.628 7.334 2.650 1.00 0.00 C ATOM 996 O VAL A 80 -3.435 7.308 1.717 1.00 0.00 O ATOM 997 CB VAL A 80 -2.648 5.272 4.133 1.00 0.00 C ATOM 998 CG1 VAL A 80 -2.473 5.860 5.519 1.00 0.00 C ATOM 999 CG2 VAL A 80 -4.117 5.209 3.782 1.00 0.00 C ATOM 0 H VAL A 80 -0.351 6.259 4.505 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.767 5.431 2.192 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.238 4.262 4.141 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.037 5.268 6.239 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.417 5.849 5.788 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.839 6.887 5.528 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.649 4.640 4.544 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.523 6.219 3.734 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.239 4.723 2.814 1.00 0.00 H new ATOM 1009 N ASP A 81 -2.354 8.438 3.327 1.00 0.00 N ATOM 1010 CA ASP A 81 -2.972 9.715 2.987 1.00 0.00 C ATOM 1011 C ASP A 81 -2.447 10.223 1.650 1.00 0.00 C ATOM 1012 O ASP A 81 -3.187 10.790 0.853 1.00 0.00 O ATOM 1013 CB ASP A 81 -2.713 10.746 4.082 1.00 0.00 C ATOM 1014 CG ASP A 81 -3.286 12.107 3.750 1.00 0.00 C ATOM 1015 OD1 ASP A 81 -4.493 12.325 3.987 1.00 0.00 O ATOM 1016 OD2 ASP A 81 -2.541 12.958 3.221 1.00 0.00 O ATOM 0 H ASP A 81 -1.708 8.478 4.115 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.048 9.562 2.903 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.146 10.393 5.018 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.639 10.838 4.242 1.00 0.00 H new ATOM 1021 N TYR A 82 -1.169 9.992 1.407 1.00 0.00 N ATOM 1022 CA TYR A 82 -0.549 10.342 0.137 1.00 0.00 C ATOM 1023 C TYR A 82 -1.216 9.537 -0.963 1.00 0.00 C ATOM 1024 O TYR A 82 -1.478 10.038 -2.060 1.00 0.00 O ATOM 1025 CB TYR A 82 0.951 10.028 0.172 1.00 0.00 C ATOM 1026 CG TYR A 82 1.762 10.722 -0.902 1.00 0.00 C ATOM 1027 CD1 TYR A 82 1.799 10.235 -2.203 1.00 0.00 C ATOM 1028 CD2 TYR A 82 2.508 11.856 -0.606 1.00 0.00 C ATOM 1029 CE1 TYR A 82 2.552 10.859 -3.178 1.00 0.00 C ATOM 1030 CE2 TYR A 82 3.267 12.483 -1.573 1.00 0.00 C ATOM 1031 CZ TYR A 82 3.286 11.982 -2.858 1.00 0.00 C ATOM 1032 OH TYR A 82 4.049 12.601 -3.822 1.00 0.00 O ATOM 0 H TYR A 82 -0.534 9.560 2.078 1.00 0.00 H new ATOM 0 HA TYR A 82 -0.673 11.409 -0.049 1.00 0.00 H new ATOM 0 HB2 TYR A 82 1.346 10.311 1.148 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.086 8.951 0.073 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.229 9.353 -2.456 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.494 12.254 0.398 1.00 0.00 H new ATOM 0 HE1 TYR A 82 2.566 10.470 -4.185 1.00 0.00 H new ATOM 0 HE2 TYR A 82 3.843 13.362 -1.325 1.00 0.00 H new ATOM 0 HH TYR A 82 4.502 13.378 -3.432 1.00 0.00 H new ATOM 1042 N MET A 83 -1.492 8.279 -0.639 1.00 0.00 N ATOM 1043 CA MET A 83 -2.188 7.375 -1.536 1.00 0.00 C ATOM 1044 C MET A 83 -3.559 7.926 -1.885 1.00 0.00 C ATOM 1045 O MET A 83 -3.889 8.087 -3.050 1.00 0.00 O ATOM 1046 CB MET A 83 -2.345 5.998 -0.889 1.00 0.00 C ATOM 1047 CG MET A 83 -1.028 5.311 -0.585 1.00 0.00 C ATOM 1048 SD MET A 83 -0.147 4.811 -2.069 1.00 0.00 S ATOM 1049 CE MET A 83 -1.342 3.700 -2.797 1.00 0.00 C ATOM 0 H MET A 83 -1.237 7.860 0.255 1.00 0.00 H new ATOM 0 HA MET A 83 -1.597 7.279 -2.447 1.00 0.00 H new ATOM 0 HB2 MET A 83 -2.911 6.104 0.037 1.00 0.00 H new ATOM 0 HB3 MET A 83 -2.932 5.361 -1.550 1.00 0.00 H new ATOM 0 HG2 MET A 83 -0.398 5.984 -0.003 1.00 0.00 H new ATOM 0 HG3 MET A 83 -1.215 4.434 0.034 1.00 0.00 H new ATOM 0 HE1 MET A 83 -0.883 3.167 -3.630 1.00 0.00 H new ATOM 0 HE2 MET A 83 -1.676 2.983 -2.047 1.00 0.00 H new ATOM 0 HE3 MET A 83 -2.197 4.271 -3.159 1.00 0.00 H new ATOM 1059 N VAL A 84 -4.352 8.223 -0.868 1.00 0.00 N ATOM 1060 CA VAL A 84 -5.719 8.693 -1.083 1.00 0.00 C ATOM 1061 C VAL A 84 -5.751 10.082 -1.719 1.00 0.00 C ATOM 1062 O VAL A 84 -6.676 10.414 -2.459 1.00 0.00 O ATOM 1063 CB VAL A 84 -6.556 8.686 0.221 1.00 0.00 C ATOM 1064 CG1 VAL A 84 -6.672 7.276 0.748 1.00 0.00 C ATOM 1065 CG2 VAL A 84 -5.959 9.576 1.299 1.00 0.00 C ATOM 0 H VAL A 84 -4.078 8.149 0.112 1.00 0.00 H new ATOM 0 HA VAL A 84 -6.173 7.986 -1.777 1.00 0.00 H new ATOM 0 HB VAL A 84 -7.541 9.082 -0.028 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -7.261 7.278 1.665 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -7.161 6.648 0.003 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.677 6.883 0.957 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -6.583 9.535 2.191 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.955 9.229 1.543 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.910 10.603 0.937 1.00 0.00 H new ATOM 1075 N ALA A 85 -4.740 10.885 -1.431 1.00 0.00 N ATOM 1076 CA ALA A 85 -4.646 12.228 -1.985 1.00 0.00 C ATOM 1077 C ALA A 85 -4.346 12.198 -3.485 1.00 0.00 C ATOM 1078 O ALA A 85 -4.913 12.975 -4.257 1.00 0.00 O ATOM 1079 CB ALA A 85 -3.582 13.019 -1.241 1.00 0.00 C ATOM 0 H ALA A 85 -3.969 10.630 -0.814 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.611 12.718 -1.857 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.516 14.023 -1.660 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.847 13.083 -0.186 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.619 12.519 -1.343 1.00 0.00 H new ATOM 1085 N ARG A 86 -3.463 11.298 -3.900 1.00 0.00 N ATOM 1086 CA ARG A 86 -3.045 11.228 -5.300 1.00 0.00 C ATOM 1087 C ARG A 86 -3.815 10.165 -6.079 1.00 0.00 C ATOM 1088 O ARG A 86 -4.231 10.392 -7.214 1.00 0.00 O ATOM 1089 CB ARG A 86 -1.541 10.948 -5.394 1.00 0.00 C ATOM 1090 CG ARG A 86 -0.674 12.196 -5.332 1.00 0.00 C ATOM 1091 CD ARG A 86 -0.723 12.864 -3.967 1.00 0.00 C ATOM 1092 NE ARG A 86 -0.159 14.211 -4.011 1.00 0.00 N ATOM 1093 CZ ARG A 86 0.195 14.922 -2.942 1.00 0.00 C ATOM 1094 NH1 ARG A 86 0.070 14.414 -1.721 1.00 0.00 N ATOM 1095 NH2 ARG A 86 0.670 16.152 -3.105 1.00 0.00 N ATOM 0 H ARG A 86 -3.022 10.608 -3.292 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.267 12.196 -5.749 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.255 10.279 -4.582 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.337 10.423 -6.327 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.357 11.932 -5.568 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.004 12.904 -6.093 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.755 12.912 -3.621 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.172 12.261 -3.245 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.027 14.638 -4.928 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.300 13.472 -1.596 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.344 14.966 -0.908 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.761 16.544 -4.042 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.944 16.705 -2.293 1.00 0.00 H new ATOM 1109 N TYR A 87 -4.011 9.015 -5.463 1.00 0.00 N ATOM 1110 CA TYR A 87 -4.612 7.872 -6.132 1.00 0.00 C ATOM 1111 C TYR A 87 -6.043 7.649 -5.652 1.00 0.00 C ATOM 1112 O TYR A 87 -6.542 6.524 -5.658 1.00 0.00 O ATOM 1113 CB TYR A 87 -3.763 6.623 -5.870 1.00 0.00 C ATOM 1114 CG TYR A 87 -2.322 6.751 -6.326 1.00 0.00 C ATOM 1115 CD1 TYR A 87 -2.002 6.797 -7.677 1.00 0.00 C ATOM 1116 CD2 TYR A 87 -1.283 6.829 -5.402 1.00 0.00 C ATOM 1117 CE1 TYR A 87 -0.690 6.915 -8.096 1.00 0.00 C ATOM 1118 CE2 TYR A 87 0.033 6.947 -5.817 1.00 0.00 C ATOM 1119 CZ TYR A 87 0.321 6.989 -7.163 1.00 0.00 C ATOM 1120 OH TYR A 87 1.626 7.112 -7.579 1.00 0.00 O ATOM 0 H TYR A 87 -3.760 8.845 -4.489 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.645 8.070 -7.203 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -3.778 6.403 -4.802 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -4.220 5.773 -6.377 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -2.791 6.740 -8.412 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -1.507 6.797 -4.346 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -0.458 6.949 -9.150 1.00 0.00 H new ATOM 0 HE2 TYR A 87 0.829 7.006 -5.089 1.00 0.00 H new ATOM 0 HH TYR A 87 2.005 7.944 -7.225 1.00 0.00 H new ATOM 1130 N GLY A 88 -6.717 8.731 -5.288 1.00 0.00 N ATOM 1131 CA GLY A 88 -8.034 8.627 -4.684 1.00 0.00 C ATOM 1132 C GLY A 88 -9.111 8.118 -5.630 1.00 0.00 C ATOM 1133 O GLY A 88 -10.249 7.909 -5.216 1.00 0.00 O ATOM 0 H GLY A 88 -6.374 9.685 -5.400 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -7.976 7.960 -3.824 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.328 9.607 -4.308 1.00 0.00 H new ATOM 1137 N ASN A 89 -8.758 7.913 -6.892 1.00 0.00 N ATOM 1138 CA ASN A 89 -9.701 7.365 -7.861 1.00 0.00 C ATOM 1139 C ASN A 89 -9.818 5.857 -7.701 1.00 0.00 C ATOM 1140 O ASN A 89 -10.756 5.232 -8.198 1.00 0.00 O ATOM 1141 CB ASN A 89 -9.272 7.692 -9.296 1.00 0.00 C ATOM 1142 CG ASN A 89 -9.237 9.182 -9.577 1.00 0.00 C ATOM 1143 OD1 ASN A 89 -8.196 9.825 -9.445 1.00 0.00 O ATOM 1144 ND2 ASN A 89 -10.371 9.738 -9.964 1.00 0.00 N ATOM 0 H ASN A 89 -7.832 8.116 -7.268 1.00 0.00 H new ATOM 0 HA ASN A 89 -10.671 7.825 -7.671 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.284 7.270 -9.480 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.959 7.212 -9.993 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -10.406 10.737 -10.166 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -11.211 9.168 -10.061 1.00 0.00 H new ATOM 1151 N PHE A 90 -8.857 5.277 -7.005 1.00 0.00 N ATOM 1152 CA PHE A 90 -8.815 3.833 -6.811 1.00 0.00 C ATOM 1153 C PHE A 90 -8.683 3.484 -5.333 1.00 0.00 C ATOM 1154 O PHE A 90 -9.142 2.434 -4.889 1.00 0.00 O ATOM 1155 CB PHE A 90 -7.641 3.220 -7.583 1.00 0.00 C ATOM 1156 CG PHE A 90 -7.639 3.545 -9.051 1.00 0.00 C ATOM 1157 CD1 PHE A 90 -8.484 2.881 -9.925 1.00 0.00 C ATOM 1158 CD2 PHE A 90 -6.785 4.515 -9.557 1.00 0.00 C ATOM 1159 CE1 PHE A 90 -8.481 3.178 -11.275 1.00 0.00 C ATOM 1160 CE2 PHE A 90 -6.777 4.815 -10.905 1.00 0.00 C ATOM 1161 CZ PHE A 90 -7.626 4.146 -11.766 1.00 0.00 C ATOM 0 H PHE A 90 -8.091 5.784 -6.562 1.00 0.00 H new ATOM 0 HA PHE A 90 -9.751 3.422 -7.189 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -6.707 3.570 -7.142 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -7.665 2.137 -7.461 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -9.153 2.122 -9.547 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -6.119 5.041 -8.889 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -9.146 2.654 -11.945 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -6.108 5.572 -11.286 1.00 0.00 H new ATOM 0 HZ PHE A 90 -7.621 4.379 -12.820 1.00 0.00 H new ATOM 1171 N VAL A 91 -8.053 4.369 -4.574 1.00 0.00 N ATOM 1172 CA VAL A 91 -7.776 4.095 -3.173 1.00 0.00 C ATOM 1173 C VAL A 91 -8.577 5.031 -2.269 1.00 0.00 C ATOM 1174 O VAL A 91 -8.878 6.164 -2.644 1.00 0.00 O ATOM 1175 CB VAL A 91 -6.259 4.223 -2.860 1.00 0.00 C ATOM 1176 CG1 VAL A 91 -5.431 4.149 -4.128 1.00 0.00 C ATOM 1177 CG2 VAL A 91 -5.941 5.505 -2.118 1.00 0.00 C ATOM 0 H VAL A 91 -7.726 5.277 -4.903 1.00 0.00 H new ATOM 0 HA VAL A 91 -8.080 3.067 -2.975 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.000 3.383 -2.216 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.374 4.241 -3.878 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.605 3.193 -4.621 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.718 4.960 -4.798 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.870 5.554 -1.919 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.237 6.360 -2.726 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.486 5.524 -1.175 1.00 0.00 H new ATOM 1187 N THR A 92 -8.917 4.546 -1.083 1.00 0.00 N ATOM 1188 CA THR A 92 -9.626 5.346 -0.097 1.00 0.00 C ATOM 1189 C THR A 92 -9.098 5.031 1.301 1.00 0.00 C ATOM 1190 O THR A 92 -8.642 3.923 1.551 1.00 0.00 O ATOM 1191 CB THR A 92 -11.146 5.060 -0.157 1.00 0.00 C ATOM 1192 OG1 THR A 92 -11.650 5.335 -1.468 1.00 0.00 O ATOM 1193 CG2 THR A 92 -11.909 5.890 0.862 1.00 0.00 C ATOM 0 H THR A 92 -8.711 3.594 -0.780 1.00 0.00 H new ATOM 0 HA THR A 92 -9.459 6.400 -0.319 1.00 0.00 H new ATOM 0 HB THR A 92 -11.292 4.006 0.079 1.00 0.00 H new ATOM 0 HG1 THR A 92 -12.612 5.149 -1.494 1.00 0.00 H new ATOM 0 HG21 THR A 92 -12.973 5.664 0.792 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.553 5.653 1.864 1.00 0.00 H new ATOM 0 HG23 THR A 92 -11.749 6.949 0.661 1.00 0.00 H new ATOM 1201 N TYR A 93 -9.123 6.002 2.204 1.00 0.00 N ATOM 1202 CA TYR A 93 -8.687 5.750 3.567 1.00 0.00 C ATOM 1203 C TYR A 93 -9.896 5.621 4.481 1.00 0.00 C ATOM 1204 O TYR A 93 -10.555 6.606 4.806 1.00 0.00 O ATOM 1205 CB TYR A 93 -7.738 6.853 4.058 1.00 0.00 C ATOM 1206 CG TYR A 93 -7.160 6.577 5.429 1.00 0.00 C ATOM 1207 CD1 TYR A 93 -6.875 5.276 5.828 1.00 0.00 C ATOM 1208 CD2 TYR A 93 -6.887 7.608 6.318 1.00 0.00 C ATOM 1209 CE1 TYR A 93 -6.338 5.009 7.069 1.00 0.00 C ATOM 1210 CE2 TYR A 93 -6.348 7.349 7.566 1.00 0.00 C ATOM 1211 CZ TYR A 93 -6.076 6.045 7.936 1.00 0.00 C ATOM 1212 OH TYR A 93 -5.536 5.776 9.173 1.00 0.00 O ATOM 0 H TYR A 93 -9.435 6.956 2.021 1.00 0.00 H new ATOM 0 HA TYR A 93 -8.132 4.812 3.587 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -6.923 6.966 3.343 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.275 7.801 4.082 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -7.078 4.458 5.152 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.098 8.628 6.031 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.124 3.991 7.360 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.141 8.161 8.247 1.00 0.00 H new ATOM 0 HH TYR A 93 -4.898 5.036 9.098 1.00 0.00 H new ATOM 1222 N ASP A 94 -10.187 4.384 4.856 1.00 0.00 N ATOM 1223 CA ASP A 94 -11.331 4.057 5.700 1.00 0.00 C ATOM 1224 C ASP A 94 -11.110 2.683 6.306 1.00 0.00 C ATOM 1225 O ASP A 94 -10.263 1.929 5.821 1.00 0.00 O ATOM 1226 CB ASP A 94 -12.629 4.033 4.884 1.00 0.00 C ATOM 1227 CG ASP A 94 -13.685 4.989 5.406 1.00 0.00 C ATOM 1228 OD1 ASP A 94 -13.509 6.214 5.275 1.00 0.00 O ATOM 1229 OD2 ASP A 94 -14.711 4.513 5.936 1.00 0.00 O ATOM 0 H ASP A 94 -9.633 3.572 4.582 1.00 0.00 H new ATOM 0 HA ASP A 94 -11.422 4.817 6.476 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -12.403 4.283 3.848 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -13.033 3.020 4.886 1.00 0.00 H new ATOM 1234 N PRO A 95 -11.837 2.340 7.375 1.00 0.00 N ATOM 1235 CA PRO A 95 -11.908 0.964 7.852 1.00 0.00 C ATOM 1236 C PRO A 95 -12.423 0.078 6.721 1.00 0.00 C ATOM 1237 O PRO A 95 -13.539 0.283 6.241 1.00 0.00 O ATOM 1238 CB PRO A 95 -12.910 1.028 9.014 1.00 0.00 C ATOM 1239 CG PRO A 95 -13.641 2.314 8.826 1.00 0.00 C ATOM 1240 CD PRO A 95 -12.667 3.247 8.173 1.00 0.00 C ATOM 0 HA PRO A 95 -10.950 0.552 8.169 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -13.593 0.179 8.992 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.400 1.002 9.977 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -14.525 2.174 8.204 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -13.983 2.712 9.781 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.170 3.988 7.551 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -12.077 3.795 8.907 1.00 0.00 H new