USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 606 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 23 TYR OH : rot -3:sc= 1.18 USER MOD Set 1.2: A 55 SER OG : rot -6:sc= 1.15 USER MOD Set 2.1: A 2 LYS NZ :NH3+ 162:sc= 1.19 (180deg=0.929) USER MOD Set 2.2: A 4 TYR OH : rot 178:sc= 1.11 USER MOD Single : A 0 MET CE :methyl 175:sc= -2.85 (180deg=-3.01!) USER MOD Single : A 0 MET N :NH3+ -168:sc= 0 (180deg=-0.0915) USER MOD Single : A 5 TYR OH : rot 180:sc= 0.557 USER MOD Single : A 6 GLN :FLIP amide:sc= 0.553 F(o=0,f=0.55) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 171:sc= 1.1 (180deg=1.02) USER MOD Single : A 26 GLN : amide:sc= -0.451 K(o=-0.45,f=-1.1) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 34 LYS NZ :NH3+ 170:sc= 1.25 (180deg=1.15) USER MOD Single : A 35 ASN : amide:sc= -0.371 K(o=-0.37,f=-1.3!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot -72:sc= 0.0531 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 180:sc= -0.662 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 10.458 5.097 5.166 1.00 0.00 N ATOM 2 CA MET A 0 10.054 4.119 4.140 1.00 0.00 C ATOM 3 C MET A 0 10.651 2.773 4.506 1.00 0.00 C ATOM 4 O MET A 0 10.272 2.272 5.557 1.00 0.00 O ATOM 5 CB MET A 0 10.361 4.603 2.712 1.00 0.00 C ATOM 6 CG MET A 0 9.639 5.912 2.371 1.00 0.00 C ATOM 7 SD MET A 0 7.853 5.895 2.677 1.00 0.00 S ATOM 8 CE MET A 0 7.211 5.264 1.112 1.00 0.00 C ATOM 0 H1 MET A 0 9.902 5.969 5.052 1.00 0.00 H new ATOM 0 H2 MET A 0 10.288 4.699 6.111 1.00 0.00 H new ATOM 0 H3 MET A 0 11.469 5.315 5.059 1.00 0.00 H new ATOM 0 HA MET A 0 8.970 4.005 4.128 1.00 0.00 H new ATOM 0 HB2 MET A 0 11.436 4.745 2.603 1.00 0.00 H new ATOM 0 HB3 MET A 0 10.067 3.833 1.999 1.00 0.00 H new ATOM 0 HG2 MET A 0 10.086 6.719 2.952 1.00 0.00 H new ATOM 0 HG3 MET A 0 9.811 6.143 1.320 1.00 0.00 H new ATOM 0 HE1 MET A 0 6.134 5.119 1.193 1.00 0.00 H new ATOM 0 HE2 MET A 0 7.423 5.979 0.317 1.00 0.00 H new ATOM 0 HE3 MET A 0 7.689 4.312 0.880 1.00 0.00 H new ATOM 18 N GLY A 1 11.496 2.137 3.688 1.00 0.00 N ATOM 19 CA GLY A 1 12.153 0.882 4.042 1.00 0.00 C ATOM 20 C GLY A 1 11.252 -0.345 3.924 1.00 0.00 C ATOM 21 O GLY A 1 11.747 -1.449 3.685 1.00 0.00 O ATOM 0 H GLY A 1 11.742 2.482 2.760 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.022 0.745 3.399 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.521 0.953 5.065 1.00 0.00 H new ATOM 25 N LYS A 2 9.930 -0.184 4.052 1.00 0.00 N ATOM 26 CA LYS A 2 8.974 -1.276 3.897 1.00 0.00 C ATOM 27 C LYS A 2 8.576 -1.513 2.435 1.00 0.00 C ATOM 28 O LYS A 2 7.737 -2.368 2.172 1.00 0.00 O ATOM 29 CB LYS A 2 7.745 -1.005 4.772 1.00 0.00 C ATOM 30 CG LYS A 2 8.030 -1.105 6.282 1.00 0.00 C ATOM 31 CD LYS A 2 7.886 0.201 7.073 1.00 0.00 C ATOM 32 CE LYS A 2 6.442 0.714 7.132 1.00 0.00 C ATOM 33 NZ LYS A 2 6.324 1.981 7.884 1.00 0.00 N ATOM 0 H LYS A 2 9.496 0.713 4.267 1.00 0.00 H new ATOM 0 HA LYS A 2 9.459 -2.195 4.227 1.00 0.00 H new ATOM 0 HB2 LYS A 2 7.362 -0.009 4.548 1.00 0.00 H new ATOM 0 HB3 LYS A 2 6.960 -1.715 4.511 1.00 0.00 H new ATOM 0 HG2 LYS A 2 7.356 -1.845 6.712 1.00 0.00 H new ATOM 0 HG3 LYS A 2 9.044 -1.481 6.418 1.00 0.00 H new ATOM 0 HD2 LYS A 2 8.252 0.046 8.088 1.00 0.00 H new ATOM 0 HD3 LYS A 2 8.518 0.965 6.620 1.00 0.00 H new ATOM 0 HE2 LYS A 2 6.070 0.861 6.118 1.00 0.00 H new ATOM 0 HE3 LYS A 2 5.810 -0.042 7.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 5.422 2.442 7.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 6.355 1.783 8.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 7.112 2.610 7.629 1.00 0.00 H new ATOM 47 N ASP A 3 9.128 -0.747 1.486 1.00 0.00 N ATOM 48 CA ASP A 3 8.839 -0.734 0.042 1.00 0.00 C ATOM 49 C ASP A 3 7.411 -0.278 -0.297 1.00 0.00 C ATOM 50 O ASP A 3 7.217 0.371 -1.323 1.00 0.00 O ATOM 51 CB ASP A 3 9.220 -2.077 -0.587 1.00 0.00 C ATOM 52 CG ASP A 3 8.876 -2.181 -2.068 1.00 0.00 C ATOM 53 OD1 ASP A 3 7.683 -2.322 -2.396 1.00 0.00 O ATOM 54 OD2 ASP A 3 9.835 -2.225 -2.874 1.00 0.00 O ATOM 0 H ASP A 3 9.847 -0.064 1.725 1.00 0.00 H new ATOM 0 HA ASP A 3 9.468 0.032 -0.412 1.00 0.00 H new ATOM 0 HB2 ASP A 3 10.291 -2.237 -0.460 1.00 0.00 H new ATOM 0 HB3 ASP A 3 8.712 -2.877 -0.048 1.00 0.00 H new ATOM 59 N TYR A 4 6.442 -0.466 0.606 1.00 0.00 N ATOM 60 CA TYR A 4 5.092 0.090 0.605 1.00 0.00 C ATOM 61 C TYR A 4 4.253 -0.659 -0.425 1.00 0.00 C ATOM 62 O TYR A 4 3.278 -1.302 -0.039 1.00 0.00 O ATOM 63 CB TYR A 4 5.068 1.632 0.489 1.00 0.00 C ATOM 64 CG TYR A 4 5.476 2.349 1.772 1.00 0.00 C ATOM 65 CD1 TYR A 4 6.676 2.026 2.437 1.00 0.00 C ATOM 66 CD2 TYR A 4 4.612 3.301 2.348 1.00 0.00 C ATOM 67 CE1 TYR A 4 6.953 2.559 3.703 1.00 0.00 C ATOM 68 CE2 TYR A 4 4.888 3.853 3.615 1.00 0.00 C ATOM 69 CZ TYR A 4 6.056 3.461 4.305 1.00 0.00 C ATOM 70 OH TYR A 4 6.357 3.923 5.546 1.00 0.00 O ATOM 0 H TYR A 4 6.599 -1.060 1.421 1.00 0.00 H new ATOM 0 HA TYR A 4 4.626 -0.072 1.577 1.00 0.00 H new ATOM 0 HB2 TYR A 4 5.736 1.938 -0.316 1.00 0.00 H new ATOM 0 HB3 TYR A 4 4.064 1.951 0.208 1.00 0.00 H new ATOM 0 HD1 TYR A 4 7.387 1.363 1.967 1.00 0.00 H new ATOM 0 HD2 TYR A 4 3.727 3.612 1.812 1.00 0.00 H new ATOM 0 HE1 TYR A 4 7.859 2.276 4.219 1.00 0.00 H new ATOM 0 HE2 TYR A 4 4.211 4.571 4.055 1.00 0.00 H new ATOM 0 HH TYR A 4 5.672 4.563 5.832 1.00 0.00 H new ATOM 80 N TYR A 5 4.659 -0.666 -1.698 1.00 0.00 N ATOM 81 CA TYR A 5 4.101 -1.487 -2.760 1.00 0.00 C ATOM 82 C TYR A 5 4.077 -2.938 -2.263 1.00 0.00 C ATOM 83 O TYR A 5 3.021 -3.575 -2.232 1.00 0.00 O ATOM 84 CB TYR A 5 4.947 -1.312 -4.038 1.00 0.00 C ATOM 85 CG TYR A 5 4.807 -0.017 -4.833 1.00 0.00 C ATOM 86 CD1 TYR A 5 4.973 1.250 -4.240 1.00 0.00 C ATOM 87 CD2 TYR A 5 4.597 -0.087 -6.220 1.00 0.00 C ATOM 88 CE1 TYR A 5 4.850 2.425 -5.006 1.00 0.00 C ATOM 89 CE2 TYR A 5 4.524 1.076 -7.003 1.00 0.00 C ATOM 90 CZ TYR A 5 4.622 2.346 -6.396 1.00 0.00 C ATOM 91 OH TYR A 5 4.501 3.491 -7.127 1.00 0.00 O ATOM 0 H TYR A 5 5.420 -0.070 -2.024 1.00 0.00 H new ATOM 0 HA TYR A 5 3.083 -1.190 -3.011 1.00 0.00 H new ATOM 0 HB2 TYR A 5 5.995 -1.418 -3.758 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.711 -2.139 -4.708 1.00 0.00 H new ATOM 0 HD1 TYR A 5 5.197 1.321 -3.186 1.00 0.00 H new ATOM 0 HD2 TYR A 5 4.490 -1.052 -6.692 1.00 0.00 H new ATOM 0 HE1 TYR A 5 4.930 3.390 -4.528 1.00 0.00 H new ATOM 0 HE2 TYR A 5 4.393 0.998 -8.072 1.00 0.00 H new ATOM 0 HH TYR A 5 4.348 3.264 -8.068 1.00 0.00 H new ATOM 101 N GLN A 6 5.213 -3.450 -1.791 1.00 0.00 N ATOM 102 CA GLN A 6 5.317 -4.797 -1.256 1.00 0.00 C ATOM 103 C GLN A 6 4.487 -4.987 0.014 1.00 0.00 C ATOM 104 O GLN A 6 3.999 -6.096 0.247 1.00 0.00 O ATOM 105 CB GLN A 6 6.797 -5.130 -1.022 1.00 0.00 C ATOM 106 CG GLN A 6 7.119 -6.630 -0.990 1.00 0.00 C ATOM 107 CD GLN A 6 7.371 -7.139 0.426 1.00 0.00 C ATOM 108 OE1 GLN A 6 8.607 -7.463 0.763 1.00 0.00 O flip ATOM 109 NE2 GLN A 6 6.450 -7.254 1.232 1.00 0.00 N flip ATOM 0 H GLN A 6 6.092 -2.933 -1.771 1.00 0.00 H new ATOM 0 HA GLN A 6 4.902 -5.492 -1.986 1.00 0.00 H new ATOM 0 HB2 GLN A 6 7.389 -4.662 -1.808 1.00 0.00 H new ATOM 0 HB3 GLN A 6 7.111 -4.685 -0.078 1.00 0.00 H new ATOM 0 HG2 GLN A 6 6.292 -7.186 -1.432 1.00 0.00 H new ATOM 0 HG3 GLN A 6 7.998 -6.824 -1.605 1.00 0.00 H new ATOM 0 HE21 GLN A 6 5.500 -7.001 0.960 1.00 0.00 H new ATOM 0 HE22 GLN A 6 6.636 -7.603 2.172 1.00 0.00 H new ATOM 118 N THR A 7 4.227 -3.936 0.794 1.00 0.00 N ATOM 119 CA THR A 7 3.325 -4.062 1.938 1.00 0.00 C ATOM 120 C THR A 7 1.897 -4.392 1.501 1.00 0.00 C ATOM 121 O THR A 7 1.202 -5.145 2.190 1.00 0.00 O ATOM 122 CB THR A 7 3.315 -2.781 2.792 1.00 0.00 C ATOM 123 OG1 THR A 7 4.634 -2.310 2.985 1.00 0.00 O ATOM 124 CG2 THR A 7 2.640 -3.036 4.145 1.00 0.00 C ATOM 0 H THR A 7 4.620 -3.005 0.658 1.00 0.00 H new ATOM 0 HA THR A 7 3.705 -4.887 2.541 1.00 0.00 H new ATOM 0 HB THR A 7 2.744 -2.020 2.261 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.614 -1.494 3.528 1.00 0.00 H new ATOM 0 HG21 THR A 7 2.644 -2.118 4.732 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.612 -3.359 3.983 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.184 -3.813 4.682 1.00 0.00 H new ATOM 132 N LEU A 8 1.511 -3.999 0.291 1.00 0.00 N ATOM 133 CA LEU A 8 0.237 -4.369 -0.305 1.00 0.00 C ATOM 134 C LEU A 8 0.387 -5.748 -0.961 1.00 0.00 C ATOM 135 O LEU A 8 -0.590 -6.472 -1.088 1.00 0.00 O ATOM 136 CB LEU A 8 -0.177 -3.263 -1.306 1.00 0.00 C ATOM 137 CG LEU A 8 -1.554 -2.580 -1.094 1.00 0.00 C ATOM 138 CD1 LEU A 8 -2.081 -1.953 -2.387 1.00 0.00 C ATOM 139 CD2 LEU A 8 -2.688 -3.466 -0.595 1.00 0.00 C ATOM 0 H LEU A 8 2.084 -3.406 -0.309 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.555 -4.448 0.440 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.589 -2.488 -1.286 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.167 -3.695 -2.307 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.315 -1.853 -0.318 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.047 -1.485 -2.197 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.376 -1.200 -2.740 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.196 -2.727 -3.146 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.595 -2.871 -0.488 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.864 -4.269 -1.310 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.418 -3.893 0.371 1.00 0.00 H new ATOM 151 N GLY A 9 1.604 -6.191 -1.267 1.00 0.00 N ATOM 152 CA GLY A 9 1.887 -7.463 -1.916 1.00 0.00 C ATOM 153 C GLY A 9 2.049 -7.246 -3.411 1.00 0.00 C ATOM 154 O GLY A 9 1.382 -7.901 -4.217 1.00 0.00 O ATOM 0 H GLY A 9 2.447 -5.654 -1.062 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.795 -7.901 -1.501 1.00 0.00 H new ATOM 0 HA3 GLY A 9 1.078 -8.168 -1.726 1.00 0.00 H new ATOM 158 N LEU A 10 2.911 -6.298 -3.772 1.00 0.00 N ATOM 159 CA LEU A 10 3.251 -5.861 -5.120 1.00 0.00 C ATOM 160 C LEU A 10 4.774 -5.701 -5.179 1.00 0.00 C ATOM 161 O LEU A 10 5.485 -6.138 -4.270 1.00 0.00 O ATOM 162 CB LEU A 10 2.555 -4.521 -5.424 1.00 0.00 C ATOM 163 CG LEU A 10 1.019 -4.536 -5.351 1.00 0.00 C ATOM 164 CD1 LEU A 10 0.527 -3.101 -5.159 1.00 0.00 C ATOM 165 CD2 LEU A 10 0.423 -5.162 -6.616 1.00 0.00 C ATOM 0 H LEU A 10 3.432 -5.774 -3.069 1.00 0.00 H new ATOM 0 HA LEU A 10 2.919 -6.587 -5.862 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.926 -3.773 -4.724 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.850 -4.198 -6.422 1.00 0.00 H new ATOM 0 HG LEU A 10 0.694 -5.145 -4.507 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.562 -3.094 -5.105 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.939 -2.696 -4.235 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.853 -2.489 -6.000 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.665 -5.163 -6.544 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.728 -4.583 -7.487 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.781 -6.187 -6.718 1.00 0.00 H new ATOM 177 N ALA A 11 5.272 -5.052 -6.227 1.00 0.00 N ATOM 178 CA ALA A 11 6.623 -4.538 -6.339 1.00 0.00 C ATOM 179 C ALA A 11 6.572 -3.271 -7.183 1.00 0.00 C ATOM 180 O ALA A 11 5.528 -2.921 -7.748 1.00 0.00 O ATOM 181 CB ALA A 11 7.503 -5.583 -7.032 1.00 0.00 C ATOM 0 H ALA A 11 4.713 -4.864 -7.059 1.00 0.00 H new ATOM 0 HA ALA A 11 7.037 -4.321 -5.354 1.00 0.00 H new ATOM 0 HB1 ALA A 11 8.520 -5.202 -7.119 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.508 -6.501 -6.445 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.107 -5.791 -8.026 1.00 0.00 H new ATOM 187 N ARG A 12 7.722 -2.616 -7.314 1.00 0.00 N ATOM 188 CA ARG A 12 8.000 -1.675 -8.387 1.00 0.00 C ATOM 189 C ARG A 12 7.634 -2.354 -9.702 1.00 0.00 C ATOM 190 O ARG A 12 8.267 -3.326 -10.119 1.00 0.00 O ATOM 191 CB ARG A 12 9.480 -1.274 -8.362 1.00 0.00 C ATOM 192 CG ARG A 12 9.741 0.085 -7.716 1.00 0.00 C ATOM 193 CD ARG A 12 9.405 0.139 -6.220 1.00 0.00 C ATOM 194 NE ARG A 12 9.886 1.418 -5.675 1.00 0.00 N ATOM 195 CZ ARG A 12 9.300 2.612 -5.840 1.00 0.00 C ATOM 196 NH1 ARG A 12 8.039 2.689 -6.266 1.00 0.00 N ATOM 197 NH2 ARG A 12 9.997 3.720 -5.612 1.00 0.00 N ATOM 0 H ARG A 12 8.499 -2.729 -6.663 1.00 0.00 H new ATOM 0 HA ARG A 12 7.414 -0.763 -8.268 1.00 0.00 H new ATOM 0 HB2 ARG A 12 10.044 -2.036 -7.824 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.860 -1.259 -9.384 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.791 0.345 -7.852 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.155 0.842 -8.237 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.329 0.045 -6.071 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.873 -0.695 -5.697 1.00 0.00 H new ATOM 0 HE ARG A 12 10.743 1.394 -5.122 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.516 1.837 -6.468 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.597 3.600 -6.390 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.970 3.658 -5.314 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.559 4.633 -5.735 1.00 0.00 H new ATOM 211 N GLY A 13 6.581 -1.849 -10.318 1.00 0.00 N ATOM 212 CA GLY A 13 5.974 -2.346 -11.533 1.00 0.00 C ATOM 213 C GLY A 13 4.461 -2.170 -11.463 1.00 0.00 C ATOM 214 O GLY A 13 3.832 -1.985 -12.505 1.00 0.00 O ATOM 0 H GLY A 13 6.097 -1.027 -9.957 1.00 0.00 H new ATOM 0 HA2 GLY A 13 6.372 -1.811 -12.395 1.00 0.00 H new ATOM 0 HA3 GLY A 13 6.221 -3.399 -11.670 1.00 0.00 H new ATOM 218 N ALA A 14 3.883 -2.171 -10.257 1.00 0.00 N ATOM 219 CA ALA A 14 2.486 -1.843 -10.043 1.00 0.00 C ATOM 220 C ALA A 14 2.224 -0.414 -10.507 1.00 0.00 C ATOM 221 O ALA A 14 2.847 0.529 -10.010 1.00 0.00 O ATOM 222 CB ALA A 14 2.122 -2.018 -8.568 1.00 0.00 C ATOM 0 H ALA A 14 4.384 -2.403 -9.399 1.00 0.00 H new ATOM 0 HA ALA A 14 1.859 -2.519 -10.624 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.071 -1.769 -8.421 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.295 -3.052 -8.271 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.740 -1.358 -7.960 1.00 0.00 H new ATOM 228 N SER A 15 1.299 -0.251 -11.447 1.00 0.00 N ATOM 229 CA SER A 15 0.774 1.067 -11.768 1.00 0.00 C ATOM 230 C SER A 15 -0.135 1.534 -10.646 1.00 0.00 C ATOM 231 O SER A 15 -0.540 0.744 -9.790 1.00 0.00 O ATOM 232 CB SER A 15 0.087 1.030 -13.138 1.00 0.00 C ATOM 233 OG SER A 15 -0.891 0.002 -13.222 1.00 0.00 O ATOM 0 H SER A 15 0.900 -1.012 -11.996 1.00 0.00 H new ATOM 0 HA SER A 15 1.579 1.798 -11.846 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.384 1.994 -13.332 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.837 0.880 -13.914 1.00 0.00 H new ATOM 0 HG SER A 15 -1.305 0.016 -14.110 1.00 0.00 H new ATOM 239 N ASP A 16 -0.493 2.814 -10.658 1.00 0.00 N ATOM 240 CA ASP A 16 -1.370 3.381 -9.645 1.00 0.00 C ATOM 241 C ASP A 16 -2.754 2.713 -9.683 1.00 0.00 C ATOM 242 O ASP A 16 -3.421 2.550 -8.661 1.00 0.00 O ATOM 243 CB ASP A 16 -1.466 4.896 -9.841 1.00 0.00 C ATOM 244 CG ASP A 16 -2.452 5.539 -8.872 1.00 0.00 C ATOM 245 OD1 ASP A 16 -3.644 5.628 -9.235 1.00 0.00 O ATOM 246 OD2 ASP A 16 -2.042 5.971 -7.769 1.00 0.00 O ATOM 0 H ASP A 16 -0.185 3.481 -11.365 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.951 3.188 -8.657 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.481 5.342 -9.704 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.773 5.110 -10.865 1.00 0.00 H new ATOM 251 N GLU A 17 -3.142 2.220 -10.861 1.00 0.00 N ATOM 252 CA GLU A 17 -4.349 1.437 -11.060 1.00 0.00 C ATOM 253 C GLU A 17 -4.225 0.102 -10.349 1.00 0.00 C ATOM 254 O GLU A 17 -5.196 -0.369 -9.762 1.00 0.00 O ATOM 255 CB GLU A 17 -4.556 1.245 -12.567 1.00 0.00 C ATOM 256 CG GLU A 17 -5.865 0.518 -12.867 1.00 0.00 C ATOM 257 CD GLU A 17 -6.080 0.332 -14.367 1.00 0.00 C ATOM 258 OE1 GLU A 17 -5.590 -0.684 -14.917 1.00 0.00 O ATOM 259 OE2 GLU A 17 -6.806 1.145 -14.977 1.00 0.00 O ATOM 0 H GLU A 17 -2.609 2.361 -11.719 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.212 1.954 -10.641 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.557 2.217 -13.061 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.722 0.678 -12.980 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.860 -0.456 -12.377 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.698 1.082 -12.448 1.00 0.00 H new ATOM 266 N GLU A 18 -3.047 -0.514 -10.392 1.00 0.00 N ATOM 267 CA GLU A 18 -2.815 -1.832 -9.843 1.00 0.00 C ATOM 268 C GLU A 18 -2.690 -1.733 -8.340 1.00 0.00 C ATOM 269 O GLU A 18 -3.126 -2.632 -7.630 1.00 0.00 O ATOM 270 CB GLU A 18 -1.535 -2.417 -10.437 1.00 0.00 C ATOM 271 CG GLU A 18 -1.767 -3.922 -10.642 1.00 0.00 C ATOM 272 CD GLU A 18 -0.691 -4.680 -11.416 1.00 0.00 C ATOM 273 OE1 GLU A 18 0.432 -4.160 -11.604 1.00 0.00 O ATOM 274 OE2 GLU A 18 -0.978 -5.815 -11.869 1.00 0.00 O ATOM 0 H GLU A 18 -2.218 -0.099 -10.818 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.651 -2.485 -10.092 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.296 -1.933 -11.384 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.690 -2.247 -9.770 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.873 -4.387 -9.662 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.716 -4.053 -11.161 1.00 0.00 H new ATOM 281 N ILE A 19 -2.154 -0.605 -7.879 1.00 0.00 N ATOM 282 CA ILE A 19 -2.173 -0.216 -6.489 1.00 0.00 C ATOM 283 C ILE A 19 -3.622 -0.239 -6.012 1.00 0.00 C ATOM 284 O ILE A 19 -3.945 -1.030 -5.131 1.00 0.00 O ATOM 285 CB ILE A 19 -1.448 1.121 -6.251 1.00 0.00 C ATOM 286 CG1 ILE A 19 0.068 0.855 -6.358 1.00 0.00 C ATOM 287 CG2 ILE A 19 -1.819 1.710 -4.877 1.00 0.00 C ATOM 288 CD1 ILE A 19 0.906 2.129 -6.347 1.00 0.00 C ATOM 0 H ILE A 19 -1.687 0.072 -8.482 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.607 -0.926 -5.886 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.750 1.856 -6.997 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.377 0.218 -5.530 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.269 0.304 -7.277 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.294 2.654 -4.732 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.894 1.882 -4.833 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.531 1.011 -4.092 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.962 1.871 -6.425 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.623 2.758 -7.191 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.733 2.670 -5.417 1.00 0.00 H new ATOM 300 N LYS A 20 -4.496 0.598 -6.589 1.00 0.00 N ATOM 301 CA LYS A 20 -5.909 0.661 -6.200 1.00 0.00 C ATOM 302 C LYS A 20 -6.625 -0.677 -6.405 1.00 0.00 C ATOM 303 O LYS A 20 -7.548 -0.996 -5.658 1.00 0.00 O ATOM 304 CB LYS A 20 -6.639 1.786 -6.946 1.00 0.00 C ATOM 305 CG LYS A 20 -6.701 3.098 -6.147 1.00 0.00 C ATOM 306 CD LYS A 20 -5.333 3.754 -5.884 1.00 0.00 C ATOM 307 CE LYS A 20 -5.428 5.282 -5.959 1.00 0.00 C ATOM 308 NZ LYS A 20 -5.580 5.745 -7.353 1.00 0.00 N ATOM 0 H LYS A 20 -4.244 1.247 -7.335 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.933 0.882 -5.133 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.137 1.969 -7.896 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.653 1.461 -7.179 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.331 3.806 -6.685 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.186 2.903 -5.190 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.967 3.457 -4.901 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.608 3.396 -6.615 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.276 5.625 -5.366 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.533 5.726 -5.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.794 6.763 -7.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.696 5.573 -7.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.357 5.225 -7.809 1.00 0.00 H new ATOM 322 N ARG A 21 -6.223 -1.476 -7.389 1.00 0.00 N ATOM 323 CA ARG A 21 -6.819 -2.780 -7.655 1.00 0.00 C ATOM 324 C ARG A 21 -6.498 -3.726 -6.504 1.00 0.00 C ATOM 325 O ARG A 21 -7.408 -4.303 -5.908 1.00 0.00 O ATOM 326 CB ARG A 21 -6.296 -3.290 -9.002 1.00 0.00 C ATOM 327 CG ARG A 21 -7.093 -4.488 -9.518 1.00 0.00 C ATOM 328 CD ARG A 21 -6.628 -4.830 -10.937 1.00 0.00 C ATOM 329 NE ARG A 21 -7.381 -5.963 -11.488 1.00 0.00 N ATOM 330 CZ ARG A 21 -7.169 -7.257 -11.238 1.00 0.00 C ATOM 331 NH1 ARG A 21 -6.173 -7.632 -10.448 1.00 0.00 N ATOM 332 NH2 ARG A 21 -7.972 -8.173 -11.764 1.00 0.00 N ATOM 0 H ARG A 21 -5.467 -1.234 -8.030 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.905 -2.713 -7.721 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.340 -2.484 -9.735 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.248 -3.571 -8.899 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.951 -5.345 -8.860 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.159 -4.258 -9.517 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.752 -3.960 -11.582 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.565 -5.069 -10.926 1.00 0.00 H new ATOM 0 HE ARG A 21 -8.144 -5.739 -12.127 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.564 -6.930 -10.027 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.016 -8.622 -10.261 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -8.750 -7.888 -12.359 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -7.811 -9.162 -11.574 1.00 0.00 H new ATOM 346 N ALA A 22 -5.211 -3.851 -6.191 1.00 0.00 N ATOM 347 CA ALA A 22 -4.689 -4.611 -5.065 1.00 0.00 C ATOM 348 C ALA A 22 -5.354 -4.156 -3.766 1.00 0.00 C ATOM 349 O ALA A 22 -5.892 -4.979 -3.038 1.00 0.00 O ATOM 350 CB ALA A 22 -3.168 -4.495 -5.026 1.00 0.00 C ATOM 0 H ALA A 22 -4.475 -3.406 -6.739 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.928 -5.668 -5.185 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.781 -5.065 -4.182 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.749 -4.889 -5.952 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.886 -3.448 -4.916 1.00 0.00 H new ATOM 356 N TYR A 23 -5.478 -2.850 -3.540 1.00 0.00 N ATOM 357 CA TYR A 23 -5.983 -2.210 -2.344 1.00 0.00 C ATOM 358 C TYR A 23 -7.232 -2.908 -1.809 1.00 0.00 C ATOM 359 O TYR A 23 -7.213 -3.385 -0.675 1.00 0.00 O ATOM 360 CB TYR A 23 -6.320 -0.791 -2.827 1.00 0.00 C ATOM 361 CG TYR A 23 -6.039 0.396 -1.974 1.00 0.00 C ATOM 362 CD1 TYR A 23 -4.728 0.896 -1.920 1.00 0.00 C ATOM 363 CD2 TYR A 23 -7.111 1.104 -1.407 1.00 0.00 C ATOM 364 CE1 TYR A 23 -4.457 2.050 -1.184 1.00 0.00 C ATOM 365 CE2 TYR A 23 -6.851 2.272 -0.683 1.00 0.00 C ATOM 366 CZ TYR A 23 -5.521 2.707 -0.532 1.00 0.00 C ATOM 367 OH TYR A 23 -5.284 3.784 0.261 1.00 0.00 O ATOM 0 H TYR A 23 -5.205 -2.167 -4.246 1.00 0.00 H new ATOM 0 HA TYR A 23 -5.268 -2.235 -1.522 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -5.791 -0.640 -3.768 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.386 -0.776 -3.054 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -3.932 0.389 -2.446 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.124 0.751 -1.529 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -3.450 2.433 -1.115 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -7.662 2.834 -0.244 1.00 0.00 H new ATOM 0 HH TYR A 23 -4.319 3.946 0.313 1.00 0.00 H new ATOM 377 N ARG A 24 -8.293 -3.043 -2.611 1.00 0.00 N ATOM 378 CA ARG A 24 -9.540 -3.597 -2.103 1.00 0.00 C ATOM 379 C ARG A 24 -9.435 -5.099 -1.857 1.00 0.00 C ATOM 380 O ARG A 24 -9.925 -5.569 -0.829 1.00 0.00 O ATOM 381 CB ARG A 24 -10.702 -3.228 -3.030 1.00 0.00 C ATOM 382 CG ARG A 24 -12.010 -3.245 -2.239 1.00 0.00 C ATOM 383 CD ARG A 24 -13.170 -2.680 -3.061 1.00 0.00 C ATOM 384 NE ARG A 24 -14.337 -2.511 -2.196 1.00 0.00 N ATOM 385 CZ ARG A 24 -15.112 -3.475 -1.699 1.00 0.00 C ATOM 386 NH1 ARG A 24 -15.174 -4.680 -2.269 1.00 0.00 N ATOM 387 NH2 ARG A 24 -15.796 -3.219 -0.597 1.00 0.00 N ATOM 0 H ARG A 24 -8.310 -2.780 -3.596 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.745 -3.151 -1.130 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.538 -2.240 -3.461 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.757 -3.933 -3.860 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -12.240 -4.267 -1.937 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.892 -2.662 -1.326 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.887 -1.724 -3.501 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -13.408 -3.352 -3.885 1.00 0.00 H new ATOM 0 HE ARG A 24 -14.584 -1.553 -1.946 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -14.621 -4.879 -3.103 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -15.774 -5.402 -1.871 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -15.722 -2.304 -0.152 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -16.398 -3.936 -0.192 1.00 0.00 H new ATOM 401 N ARG A 25 -8.789 -5.863 -2.751 1.00 0.00 N ATOM 402 CA ARG A 25 -8.582 -7.297 -2.514 1.00 0.00 C ATOM 403 C ARG A 25 -7.682 -7.536 -1.303 1.00 0.00 C ATOM 404 O ARG A 25 -7.740 -8.628 -0.736 1.00 0.00 O ATOM 405 CB ARG A 25 -8.060 -8.041 -3.763 1.00 0.00 C ATOM 406 CG ARG A 25 -6.674 -7.586 -4.240 1.00 0.00 C ATOM 407 CD ARG A 25 -5.999 -8.494 -5.271 1.00 0.00 C ATOM 408 NE ARG A 25 -5.533 -9.764 -4.683 1.00 0.00 N ATOM 409 CZ ARG A 25 -5.812 -11.005 -5.109 1.00 0.00 C ATOM 410 NH1 ARG A 25 -6.638 -11.220 -6.126 1.00 0.00 N ATOM 411 NH2 ARG A 25 -5.254 -12.041 -4.501 1.00 0.00 N ATOM 0 H ARG A 25 -8.407 -5.517 -3.631 1.00 0.00 H new ATOM 0 HA ARG A 25 -9.562 -7.719 -2.293 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -8.024 -9.109 -3.546 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -8.773 -7.905 -4.576 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.766 -6.587 -4.667 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -6.020 -7.503 -3.372 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.700 -8.706 -6.078 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.152 -7.970 -5.714 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.932 -9.690 -3.862 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.077 -10.432 -6.602 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.834 -12.173 -6.431 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.619 -11.891 -3.717 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.459 -12.989 -4.817 1.00 0.00 H new ATOM 425 N GLN A 26 -6.853 -6.566 -0.908 1.00 0.00 N ATOM 426 CA GLN A 26 -6.004 -6.667 0.259 1.00 0.00 C ATOM 427 C GLN A 26 -6.733 -6.279 1.532 1.00 0.00 C ATOM 428 O GLN A 26 -6.664 -7.025 2.508 1.00 0.00 O ATOM 429 CB GLN A 26 -4.782 -5.765 0.069 1.00 0.00 C ATOM 430 CG GLN A 26 -3.541 -6.648 -0.026 1.00 0.00 C ATOM 431 CD GLN A 26 -3.352 -7.295 -1.397 1.00 0.00 C ATOM 432 OE1 GLN A 26 -3.747 -6.801 -2.443 1.00 0.00 O ATOM 433 NE2 GLN A 26 -2.700 -8.434 -1.423 1.00 0.00 N ATOM 0 H GLN A 26 -6.759 -5.680 -1.404 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.698 -7.708 0.364 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.890 -5.165 -0.835 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.690 -5.070 0.904 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -2.661 -6.049 0.208 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.604 -7.431 0.730 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -2.368 -8.851 -0.554 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -2.526 -8.902 -2.313 1.00 0.00 H new ATOM 442 N ALA A 27 -7.429 -5.143 1.532 1.00 0.00 N ATOM 443 CA ALA A 27 -8.206 -4.711 2.677 1.00 0.00 C ATOM 444 C ALA A 27 -9.179 -5.825 3.035 1.00 0.00 C ATOM 445 O ALA A 27 -9.170 -6.305 4.163 1.00 0.00 O ATOM 446 CB ALA A 27 -8.925 -3.400 2.366 1.00 0.00 C ATOM 0 H ALA A 27 -7.466 -4.503 0.738 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.558 -4.517 3.532 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.504 -3.088 3.235 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.191 -2.631 2.124 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.593 -3.544 1.517 1.00 0.00 H new ATOM 452 N LEU A 28 -9.956 -6.303 2.055 1.00 0.00 N ATOM 453 CA LEU A 28 -10.906 -7.387 2.257 1.00 0.00 C ATOM 454 C LEU A 28 -10.220 -8.715 2.603 1.00 0.00 C ATOM 455 O LEU A 28 -10.859 -9.562 3.224 1.00 0.00 O ATOM 456 CB LEU A 28 -11.801 -7.524 1.013 1.00 0.00 C ATOM 457 CG LEU A 28 -13.024 -8.446 1.203 1.00 0.00 C ATOM 458 CD1 LEU A 28 -13.982 -7.940 2.295 1.00 0.00 C ATOM 459 CD2 LEU A 28 -13.790 -8.541 -0.121 1.00 0.00 C ATOM 0 H LEU A 28 -9.938 -5.944 1.101 1.00 0.00 H new ATOM 0 HA LEU A 28 -11.525 -7.136 3.119 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.150 -6.534 0.721 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.199 -7.905 0.188 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.651 -9.421 1.516 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -14.824 -8.626 2.387 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -13.453 -7.886 3.246 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -14.349 -6.949 2.027 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -14.656 -9.191 0.005 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -14.123 -7.547 -0.421 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.137 -8.952 -0.891 1.00 0.00 H new ATOM 471 N ARG A 29 -8.945 -8.938 2.247 1.00 0.00 N ATOM 472 CA ARG A 29 -8.214 -10.120 2.687 1.00 0.00 C ATOM 473 C ARG A 29 -8.056 -10.040 4.195 1.00 0.00 C ATOM 474 O ARG A 29 -8.632 -10.868 4.879 1.00 0.00 O ATOM 475 CB ARG A 29 -6.873 -10.267 1.943 1.00 0.00 C ATOM 476 CG ARG A 29 -5.928 -11.324 2.525 1.00 0.00 C ATOM 477 CD ARG A 29 -6.586 -12.693 2.737 1.00 0.00 C ATOM 478 NE ARG A 29 -5.589 -13.768 2.772 1.00 0.00 N ATOM 479 CZ ARG A 29 -5.808 -15.080 2.655 1.00 0.00 C ATOM 480 NH1 ARG A 29 -7.042 -15.573 2.632 1.00 0.00 N ATOM 481 NH2 ARG A 29 -4.766 -15.887 2.547 1.00 0.00 N ATOM 0 H ARG A 29 -8.404 -8.309 1.654 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.771 -11.024 2.442 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.077 -10.516 0.902 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.364 -9.303 1.947 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.074 -11.441 1.858 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.541 -10.966 3.479 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.149 -12.687 3.670 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.300 -12.883 1.935 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.619 -13.481 2.900 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.843 -14.946 2.704 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.188 -16.578 2.542 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.821 -15.503 2.554 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.907 -16.893 2.456 1.00 0.00 H new ATOM 495 N TYR A 30 -7.308 -9.068 4.700 1.00 0.00 N ATOM 496 CA TYR A 30 -6.852 -9.028 6.084 1.00 0.00 C ATOM 497 C TYR A 30 -7.897 -8.442 7.039 1.00 0.00 C ATOM 498 O TYR A 30 -7.653 -8.439 8.246 1.00 0.00 O ATOM 499 CB TYR A 30 -5.544 -8.220 6.142 1.00 0.00 C ATOM 500 CG TYR A 30 -4.450 -8.801 5.270 1.00 0.00 C ATOM 501 CD1 TYR A 30 -3.894 -10.044 5.605 1.00 0.00 C ATOM 502 CD2 TYR A 30 -4.027 -8.144 4.101 1.00 0.00 C ATOM 503 CE1 TYR A 30 -2.973 -10.666 4.751 1.00 0.00 C ATOM 504 CE2 TYR A 30 -3.042 -8.727 3.283 1.00 0.00 C ATOM 505 CZ TYR A 30 -2.526 -10.003 3.589 1.00 0.00 C ATOM 506 OH TYR A 30 -1.600 -10.583 2.778 1.00 0.00 O ATOM 0 H TYR A 30 -6.995 -8.269 4.148 1.00 0.00 H new ATOM 0 HA TYR A 30 -6.684 -10.051 6.419 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -5.743 -7.194 5.831 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.195 -8.178 7.174 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.178 -10.526 6.529 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -4.458 -7.191 3.831 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -2.605 -11.654 4.983 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.679 -8.194 2.416 1.00 0.00 H new ATOM 0 HH TYR A 30 -1.408 -9.988 2.023 1.00 0.00 H new ATOM 516 N HIS A 31 -9.037 -7.960 6.531 1.00 0.00 N ATOM 517 CA HIS A 31 -10.053 -7.221 7.269 1.00 0.00 C ATOM 518 C HIS A 31 -10.447 -8.023 8.520 1.00 0.00 C ATOM 519 O HIS A 31 -10.992 -9.123 8.386 1.00 0.00 O ATOM 520 CB HIS A 31 -11.277 -6.970 6.369 1.00 0.00 C ATOM 521 CG HIS A 31 -11.817 -5.558 6.394 1.00 0.00 C ATOM 522 ND1 HIS A 31 -11.952 -4.714 7.478 1.00 0.00 N ATOM 523 CD2 HIS A 31 -12.371 -4.922 5.315 1.00 0.00 C ATOM 524 CE1 HIS A 31 -12.605 -3.619 7.061 1.00 0.00 C ATOM 525 NE2 HIS A 31 -12.843 -3.675 5.738 1.00 0.00 N ATOM 0 H HIS A 31 -9.282 -8.083 5.549 1.00 0.00 H new ATOM 0 HA HIS A 31 -9.658 -6.254 7.579 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -11.011 -7.222 5.342 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -12.073 -7.652 6.668 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -12.433 -5.315 4.311 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -12.900 -2.801 7.702 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -13.279 -2.955 5.161 1.00 0.00 H new ATOM 533 N PRO A 32 -10.179 -7.529 9.738 1.00 0.00 N ATOM 534 CA PRO A 32 -10.405 -8.277 10.968 1.00 0.00 C ATOM 535 C PRO A 32 -11.885 -8.397 11.339 1.00 0.00 C ATOM 536 O PRO A 32 -12.201 -8.977 12.380 1.00 0.00 O ATOM 537 CB PRO A 32 -9.602 -7.531 12.032 1.00 0.00 C ATOM 538 CG PRO A 32 -9.628 -6.085 11.541 1.00 0.00 C ATOM 539 CD PRO A 32 -9.550 -6.255 10.030 1.00 0.00 C ATOM 0 HA PRO A 32 -10.084 -9.313 10.862 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -10.054 -7.629 13.019 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.584 -7.912 12.108 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -10.538 -5.568 11.846 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.789 -5.508 11.929 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -10.063 -5.440 9.519 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -8.515 -6.244 9.689 1.00 0.00 H new ATOM 547 N ASP A 33 -12.800 -7.858 10.533 1.00 0.00 N ATOM 548 CA ASP A 33 -14.231 -8.106 10.641 1.00 0.00 C ATOM 549 C ASP A 33 -14.630 -9.329 9.809 1.00 0.00 C ATOM 550 O ASP A 33 -15.296 -10.220 10.332 1.00 0.00 O ATOM 551 CB ASP A 33 -15.053 -6.837 10.340 1.00 0.00 C ATOM 552 CG ASP A 33 -14.772 -6.134 9.013 1.00 0.00 C ATOM 553 OD1 ASP A 33 -14.145 -6.736 8.117 1.00 0.00 O ATOM 554 OD2 ASP A 33 -15.157 -4.945 8.900 1.00 0.00 O ATOM 0 H ASP A 33 -12.558 -7.224 9.772 1.00 0.00 H new ATOM 0 HA ASP A 33 -14.471 -8.354 11.675 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -16.110 -7.102 10.367 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -14.883 -6.123 11.146 1.00 0.00 H new ATOM 559 N LYS A 34 -14.172 -9.426 8.559 1.00 0.00 N ATOM 560 CA LYS A 34 -14.530 -10.491 7.624 1.00 0.00 C ATOM 561 C LYS A 34 -13.665 -11.725 7.838 1.00 0.00 C ATOM 562 O LYS A 34 -14.187 -12.834 7.790 1.00 0.00 O ATOM 563 CB LYS A 34 -14.408 -9.939 6.186 1.00 0.00 C ATOM 564 CG LYS A 34 -14.417 -10.952 5.021 1.00 0.00 C ATOM 565 CD LYS A 34 -13.047 -11.603 4.747 1.00 0.00 C ATOM 566 CE LYS A 34 -12.897 -12.008 3.276 1.00 0.00 C ATOM 567 NZ LYS A 34 -11.480 -12.221 2.912 1.00 0.00 N ATOM 0 H LYS A 34 -13.524 -8.747 8.160 1.00 0.00 H new ATOM 0 HA LYS A 34 -15.558 -10.808 7.797 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -15.227 -9.238 6.026 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.482 -9.367 6.125 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -15.143 -11.735 5.239 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -14.755 -10.447 4.116 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.253 -10.907 5.016 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.928 -12.482 5.381 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.462 -12.921 3.090 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.324 -11.233 2.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.425 -12.654 1.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.983 -11.308 2.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.034 -12.851 3.608 1.00 0.00 H new ATOM 581 N ASN A 35 -12.344 -11.565 7.965 1.00 0.00 N ATOM 582 CA ASN A 35 -11.413 -12.692 7.855 1.00 0.00 C ATOM 583 C ASN A 35 -11.048 -13.237 9.215 1.00 0.00 C ATOM 584 O ASN A 35 -10.831 -14.439 9.355 1.00 0.00 O ATOM 585 CB ASN A 35 -10.114 -12.283 7.142 1.00 0.00 C ATOM 586 CG ASN A 35 -9.571 -13.388 6.245 1.00 0.00 C ATOM 587 OD1 ASN A 35 -10.318 -14.169 5.660 1.00 0.00 O ATOM 588 ND2 ASN A 35 -8.272 -13.467 6.051 1.00 0.00 N ATOM 0 H ASN A 35 -11.896 -10.666 8.144 1.00 0.00 H new ATOM 0 HA ASN A 35 -11.926 -13.458 7.273 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.297 -11.390 6.544 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.362 -12.020 7.886 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -7.893 -14.172 5.419 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -7.644 -12.823 6.532 1.00 0.00 H new ATOM 595 N LYS A 36 -10.954 -12.334 10.197 1.00 0.00 N ATOM 596 CA LYS A 36 -10.640 -12.615 11.592 1.00 0.00 C ATOM 597 C LYS A 36 -9.338 -13.412 11.746 1.00 0.00 C ATOM 598 O LYS A 36 -9.163 -14.124 12.738 1.00 0.00 O ATOM 599 CB LYS A 36 -11.883 -13.210 12.266 1.00 0.00 C ATOM 600 CG LYS A 36 -12.964 -12.125 12.377 1.00 0.00 C ATOM 601 CD LYS A 36 -14.278 -12.579 13.014 1.00 0.00 C ATOM 602 CE LYS A 36 -15.053 -11.302 13.372 1.00 0.00 C ATOM 603 NZ LYS A 36 -16.084 -11.510 14.406 1.00 0.00 N ATOM 0 H LYS A 36 -11.103 -11.340 10.026 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.412 -11.695 12.130 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -12.256 -14.055 11.687 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.629 -13.590 13.256 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.564 -11.294 12.959 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -13.176 -11.742 11.379 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -14.850 -13.199 12.324 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -14.090 -13.181 13.903 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -14.350 -10.545 13.719 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -15.526 -10.909 12.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -16.568 -10.610 14.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -16.776 -12.210 14.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -15.636 -11.857 15.278 1.00 0.00 H new ATOM 617 N GLU A 37 -8.443 -13.299 10.764 1.00 0.00 N ATOM 618 CA GLU A 37 -7.210 -14.049 10.638 1.00 0.00 C ATOM 619 C GLU A 37 -6.280 -13.620 11.787 1.00 0.00 C ATOM 620 O GLU A 37 -6.105 -12.414 11.989 1.00 0.00 O ATOM 621 CB GLU A 37 -6.632 -13.793 9.240 1.00 0.00 C ATOM 622 CG GLU A 37 -5.636 -14.853 8.739 1.00 0.00 C ATOM 623 CD GLU A 37 -4.159 -14.442 8.791 1.00 0.00 C ATOM 624 OE1 GLU A 37 -3.776 -13.457 8.118 1.00 0.00 O ATOM 625 OE2 GLU A 37 -3.345 -15.168 9.410 1.00 0.00 O ATOM 0 H GLU A 37 -8.574 -12.642 9.995 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.355 -15.126 10.725 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.456 -13.728 8.530 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -6.135 -12.823 9.242 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.765 -15.758 9.332 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.889 -15.108 7.710 1.00 0.00 H new ATOM 632 N PRO A 38 -5.727 -14.548 12.586 1.00 0.00 N ATOM 633 CA PRO A 38 -5.134 -14.220 13.876 1.00 0.00 C ATOM 634 C PRO A 38 -3.856 -13.398 13.718 1.00 0.00 C ATOM 635 O PRO A 38 -2.879 -13.841 13.105 1.00 0.00 O ATOM 636 CB PRO A 38 -4.902 -15.555 14.585 1.00 0.00 C ATOM 637 CG PRO A 38 -4.797 -16.561 13.442 1.00 0.00 C ATOM 638 CD PRO A 38 -5.735 -15.985 12.384 1.00 0.00 C ATOM 0 HA PRO A 38 -5.792 -13.586 14.470 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.993 -15.536 15.186 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.724 -15.799 15.258 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.775 -16.645 13.072 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.106 -17.559 13.754 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.395 -16.240 11.380 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -6.741 -16.389 12.492 1.00 0.00 H new ATOM 646 N GLY A 39 -3.851 -12.196 14.290 1.00 0.00 N ATOM 647 CA GLY A 39 -2.737 -11.259 14.216 1.00 0.00 C ATOM 648 C GLY A 39 -2.735 -10.430 12.933 1.00 0.00 C ATOM 649 O GLY A 39 -1.912 -9.525 12.796 1.00 0.00 O ATOM 0 H GLY A 39 -4.640 -11.840 14.830 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.776 -10.589 15.075 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.800 -11.812 14.286 1.00 0.00 H new ATOM 653 N ALA A 40 -3.679 -10.659 12.010 1.00 0.00 N ATOM 654 CA ALA A 40 -3.810 -9.831 10.818 1.00 0.00 C ATOM 655 C ALA A 40 -4.247 -8.399 11.150 1.00 0.00 C ATOM 656 O ALA A 40 -4.225 -7.564 10.251 1.00 0.00 O ATOM 657 CB ALA A 40 -4.762 -10.475 9.813 1.00 0.00 C ATOM 0 H ALA A 40 -4.362 -11.414 12.072 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.822 -9.763 10.364 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.845 -9.840 8.931 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.377 -11.452 9.521 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.745 -10.594 10.268 1.00 0.00 H new ATOM 663 N GLU A 41 -4.576 -8.086 12.412 1.00 0.00 N ATOM 664 CA GLU A 41 -4.692 -6.716 12.906 1.00 0.00 C ATOM 665 C GLU A 41 -3.469 -5.907 12.473 1.00 0.00 C ATOM 666 O GLU A 41 -3.616 -4.800 11.953 1.00 0.00 O ATOM 667 CB GLU A 41 -4.790 -6.723 14.446 1.00 0.00 C ATOM 668 CG GLU A 41 -4.678 -5.318 15.075 1.00 0.00 C ATOM 669 CD GLU A 41 -4.763 -5.322 16.603 1.00 0.00 C ATOM 670 OE1 GLU A 41 -3.978 -6.044 17.262 1.00 0.00 O ATOM 671 OE2 GLU A 41 -5.611 -4.583 17.152 1.00 0.00 O ATOM 0 H GLU A 41 -4.771 -8.790 13.124 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.591 -6.261 12.491 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.740 -7.170 14.740 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.001 -7.357 14.850 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.732 -4.868 14.773 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.472 -4.687 14.677 1.00 0.00 H new ATOM 678 N GLU A 42 -2.281 -6.483 12.654 1.00 0.00 N ATOM 679 CA GLU A 42 -1.007 -5.837 12.398 1.00 0.00 C ATOM 680 C GLU A 42 -0.785 -5.701 10.895 1.00 0.00 C ATOM 681 O GLU A 42 -0.450 -4.626 10.410 1.00 0.00 O ATOM 682 CB GLU A 42 0.081 -6.669 13.081 1.00 0.00 C ATOM 683 CG GLU A 42 1.467 -6.047 12.921 1.00 0.00 C ATOM 684 CD GLU A 42 2.475 -6.760 13.820 1.00 0.00 C ATOM 685 OE1 GLU A 42 2.382 -6.629 15.064 1.00 0.00 O ATOM 686 OE2 GLU A 42 3.347 -7.479 13.279 1.00 0.00 O ATOM 0 H GLU A 42 -2.182 -7.440 12.993 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.983 -4.826 12.805 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.151 -6.768 14.141 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.085 -7.675 12.661 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.786 -6.115 11.881 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.429 -4.988 13.174 1.00 0.00 H new ATOM 693 N LYS A 43 -1.046 -6.775 10.142 1.00 0.00 N ATOM 694 CA LYS A 43 -0.956 -6.792 8.688 1.00 0.00 C ATOM 695 C LYS A 43 -1.817 -5.676 8.096 1.00 0.00 C ATOM 696 O LYS A 43 -1.390 -4.931 7.218 1.00 0.00 O ATOM 697 CB LYS A 43 -1.410 -8.171 8.176 1.00 0.00 C ATOM 698 CG LYS A 43 -0.750 -8.597 6.857 1.00 0.00 C ATOM 699 CD LYS A 43 0.749 -8.935 6.946 1.00 0.00 C ATOM 700 CE LYS A 43 1.021 -10.124 7.883 1.00 0.00 C ATOM 701 NZ LYS A 43 2.416 -10.607 7.796 1.00 0.00 N ATOM 0 H LYS A 43 -1.331 -7.671 10.539 1.00 0.00 H new ATOM 0 HA LYS A 43 0.074 -6.619 8.376 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.192 -8.920 8.938 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.492 -8.159 8.042 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.279 -9.468 6.471 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.882 -7.796 6.130 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.128 -9.165 5.950 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.296 -8.062 7.301 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.805 -9.830 8.910 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.342 -10.940 7.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.547 -11.408 8.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.617 -10.914 6.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.066 -9.839 8.058 1.00 0.00 H new ATOM 715 N PHE A 44 -3.050 -5.583 8.591 1.00 0.00 N ATOM 716 CA PHE A 44 -4.052 -4.623 8.168 1.00 0.00 C ATOM 717 C PHE A 44 -3.603 -3.209 8.566 1.00 0.00 C ATOM 718 O PHE A 44 -3.768 -2.279 7.783 1.00 0.00 O ATOM 719 CB PHE A 44 -5.401 -5.011 8.783 1.00 0.00 C ATOM 720 CG PHE A 44 -6.577 -4.189 8.298 1.00 0.00 C ATOM 721 CD1 PHE A 44 -7.197 -4.549 7.084 1.00 0.00 C ATOM 722 CD2 PHE A 44 -7.076 -3.098 9.035 1.00 0.00 C ATOM 723 CE1 PHE A 44 -8.299 -3.828 6.606 1.00 0.00 C ATOM 724 CE2 PHE A 44 -8.186 -2.381 8.556 1.00 0.00 C ATOM 725 CZ PHE A 44 -8.784 -2.736 7.335 1.00 0.00 C ATOM 0 H PHE A 44 -3.386 -6.203 9.328 1.00 0.00 H new ATOM 0 HA PHE A 44 -4.169 -4.629 7.084 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.595 -6.061 8.566 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.332 -4.917 9.867 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -6.819 -5.388 6.518 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.607 -2.813 9.965 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -8.773 -4.114 5.678 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.581 -1.554 9.128 1.00 0.00 H new ATOM 0 HZ PHE A 44 -9.620 -2.165 6.958 1.00 0.00 H new ATOM 735 N LYS A 45 -3.070 -3.021 9.777 1.00 0.00 N ATOM 736 CA LYS A 45 -2.434 -1.772 10.217 1.00 0.00 C ATOM 737 C LYS A 45 -1.240 -1.388 9.344 1.00 0.00 C ATOM 738 O LYS A 45 -0.973 -0.196 9.179 1.00 0.00 O ATOM 739 CB LYS A 45 -1.980 -1.893 11.684 1.00 0.00 C ATOM 740 CG LYS A 45 -3.015 -1.349 12.681 1.00 0.00 C ATOM 741 CD LYS A 45 -2.864 0.160 12.947 1.00 0.00 C ATOM 742 CE LYS A 45 -1.594 0.458 13.766 1.00 0.00 C ATOM 743 NZ LYS A 45 -1.518 1.873 14.185 1.00 0.00 N ATOM 0 H LYS A 45 -3.068 -3.746 10.494 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.182 -0.984 10.122 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.781 -2.940 11.911 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.041 -1.354 11.813 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.017 -1.546 12.299 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.921 -1.889 13.623 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.823 0.696 11.999 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.740 0.527 13.483 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.575 -0.182 14.648 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.714 0.209 13.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.647 2.027 14.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.510 2.484 13.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.343 2.106 14.774 1.00 0.00 H new ATOM 757 N GLU A 46 -0.518 -2.340 8.762 1.00 0.00 N ATOM 758 CA GLU A 46 0.609 -2.048 7.906 1.00 0.00 C ATOM 759 C GLU A 46 0.055 -1.518 6.582 1.00 0.00 C ATOM 760 O GLU A 46 0.461 -0.452 6.103 1.00 0.00 O ATOM 761 CB GLU A 46 1.451 -3.315 7.727 1.00 0.00 C ATOM 762 CG GLU A 46 2.892 -3.053 8.158 1.00 0.00 C ATOM 763 CD GLU A 46 3.940 -3.824 7.362 1.00 0.00 C ATOM 764 OE1 GLU A 46 3.821 -5.058 7.195 1.00 0.00 O ATOM 765 OE2 GLU A 46 4.935 -3.191 6.947 1.00 0.00 O ATOM 0 H GLU A 46 -0.705 -3.336 8.876 1.00 0.00 H new ATOM 0 HA GLU A 46 1.265 -1.292 8.338 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.029 -4.128 8.318 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.427 -3.633 6.685 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.097 -1.986 8.067 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.995 -3.308 9.213 1.00 0.00 H new ATOM 772 N ILE A 47 -0.975 -2.200 6.068 1.00 0.00 N ATOM 773 CA ILE A 47 -1.869 -1.805 4.979 1.00 0.00 C ATOM 774 C ILE A 47 -2.845 -0.723 5.513 1.00 0.00 C ATOM 775 O ILE A 47 -4.052 -0.744 5.265 1.00 0.00 O ATOM 776 CB ILE A 47 -2.551 -3.050 4.368 1.00 0.00 C ATOM 777 CG1 ILE A 47 -1.479 -4.095 3.979 1.00 0.00 C ATOM 778 CG2 ILE A 47 -3.341 -2.738 3.075 1.00 0.00 C ATOM 779 CD1 ILE A 47 -2.122 -5.439 3.701 1.00 0.00 C ATOM 0 H ILE A 47 -1.223 -3.119 6.435 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.321 -1.354 4.152 1.00 0.00 H new ATOM 0 HB ILE A 47 -3.239 -3.416 5.131 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.936 -3.756 3.097 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.750 -4.194 4.784 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.795 -3.654 2.696 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.121 -2.009 3.292 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.664 -2.332 2.324 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.352 -6.161 3.429 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.644 -5.784 4.593 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.833 -5.340 2.880 1.00 0.00 H new ATOM 791 N ALA A 48 -2.315 0.246 6.262 1.00 0.00 N ATOM 792 CA ALA A 48 -2.970 1.481 6.641 1.00 0.00 C ATOM 793 C ALA A 48 -2.014 2.613 6.286 1.00 0.00 C ATOM 794 O ALA A 48 -2.350 3.464 5.470 1.00 0.00 O ATOM 795 CB ALA A 48 -3.335 1.492 8.129 1.00 0.00 C ATOM 0 H ALA A 48 -1.368 0.178 6.635 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.913 1.596 6.107 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.824 2.434 8.377 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.011 0.664 8.344 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.430 1.386 8.727 1.00 0.00 H new ATOM 801 N GLU A 49 -0.800 2.576 6.834 1.00 0.00 N ATOM 802 CA GLU A 49 0.212 3.609 6.636 1.00 0.00 C ATOM 803 C GLU A 49 0.929 3.434 5.295 1.00 0.00 C ATOM 804 O GLU A 49 1.246 4.426 4.639 1.00 0.00 O ATOM 805 CB GLU A 49 1.162 3.575 7.839 1.00 0.00 C ATOM 806 CG GLU A 49 2.277 4.634 7.810 1.00 0.00 C ATOM 807 CD GLU A 49 3.636 4.158 7.278 1.00 0.00 C ATOM 808 OE1 GLU A 49 3.832 2.950 7.004 1.00 0.00 O ATOM 809 OE2 GLU A 49 4.558 5.005 7.194 1.00 0.00 O ATOM 0 H GLU A 49 -0.489 1.815 7.437 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.249 4.595 6.584 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.578 3.708 8.750 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.620 2.587 7.895 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.941 5.471 7.198 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.417 5.015 8.822 1.00 0.00 H new ATOM 816 N ALA A 50 1.092 2.190 4.825 1.00 0.00 N ATOM 817 CA ALA A 50 1.609 1.960 3.481 1.00 0.00 C ATOM 818 C ALA A 50 0.517 2.310 2.472 1.00 0.00 C ATOM 819 O ALA A 50 0.769 2.917 1.435 1.00 0.00 O ATOM 820 CB ALA A 50 2.035 0.500 3.313 1.00 0.00 C ATOM 0 H ALA A 50 0.875 1.343 5.351 1.00 0.00 H new ATOM 0 HA ALA A 50 2.484 2.588 3.314 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.418 0.347 2.304 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.814 0.263 4.037 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.176 -0.151 3.478 1.00 0.00 H new ATOM 826 N TYR A 51 -0.708 1.920 2.813 1.00 0.00 N ATOM 827 CA TYR A 51 -1.923 2.032 2.025 1.00 0.00 C ATOM 828 C TYR A 51 -2.257 3.504 1.758 1.00 0.00 C ATOM 829 O TYR A 51 -2.585 3.863 0.627 1.00 0.00 O ATOM 830 CB TYR A 51 -2.978 1.291 2.849 1.00 0.00 C ATOM 831 CG TYR A 51 -4.347 1.021 2.280 1.00 0.00 C ATOM 832 CD1 TYR A 51 -4.535 -0.076 1.419 1.00 0.00 C ATOM 833 CD2 TYR A 51 -5.460 1.707 2.801 1.00 0.00 C ATOM 834 CE1 TYR A 51 -5.833 -0.526 1.129 1.00 0.00 C ATOM 835 CE2 TYR A 51 -6.760 1.281 2.486 1.00 0.00 C ATOM 836 CZ TYR A 51 -6.949 0.148 1.667 1.00 0.00 C ATOM 837 OH TYR A 51 -8.204 -0.282 1.373 1.00 0.00 O ATOM 0 H TYR A 51 -0.886 1.484 3.718 1.00 0.00 H new ATOM 0 HA TYR A 51 -1.845 1.594 1.030 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.550 0.328 3.127 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -3.119 1.855 3.771 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.681 -0.572 0.981 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.314 2.562 3.444 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.977 -1.388 0.494 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -7.614 1.820 2.870 1.00 0.00 H new ATOM 0 HH TYR A 51 -8.416 -0.060 0.442 1.00 0.00 H new ATOM 847 N ASP A 52 -2.134 4.372 2.764 1.00 0.00 N ATOM 848 CA ASP A 52 -2.442 5.796 2.638 1.00 0.00 C ATOM 849 C ASP A 52 -1.540 6.442 1.589 1.00 0.00 C ATOM 850 O ASP A 52 -2.024 7.008 0.606 1.00 0.00 O ATOM 851 CB ASP A 52 -2.295 6.501 3.993 1.00 0.00 C ATOM 852 CG ASP A 52 -3.061 7.822 4.070 1.00 0.00 C ATOM 853 OD1 ASP A 52 -3.905 8.109 3.191 1.00 0.00 O ATOM 854 OD2 ASP A 52 -2.884 8.530 5.085 1.00 0.00 O ATOM 0 H ASP A 52 -1.816 4.104 3.695 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.477 5.901 2.313 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.649 5.837 4.781 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.239 6.689 4.185 1.00 0.00 H new ATOM 859 N VAL A 53 -0.230 6.205 1.706 1.00 0.00 N ATOM 860 CA VAL A 53 0.778 6.734 0.794 1.00 0.00 C ATOM 861 C VAL A 53 0.532 6.172 -0.591 1.00 0.00 C ATOM 862 O VAL A 53 0.629 6.891 -1.581 1.00 0.00 O ATOM 863 CB VAL A 53 2.174 6.284 1.280 1.00 0.00 C ATOM 864 CG1 VAL A 53 3.222 6.164 0.152 1.00 0.00 C ATOM 865 CG2 VAL A 53 2.653 7.242 2.366 1.00 0.00 C ATOM 0 H VAL A 53 0.162 5.630 2.451 1.00 0.00 H new ATOM 0 HA VAL A 53 0.725 7.822 0.767 1.00 0.00 H new ATOM 0 HB VAL A 53 2.067 5.275 1.679 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.175 5.844 0.573 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.885 5.431 -0.581 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.347 7.132 -0.333 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.638 6.933 2.716 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.713 8.252 1.960 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.951 7.227 3.200 1.00 0.00 H new ATOM 875 N LEU A 54 0.256 4.875 -0.670 1.00 0.00 N ATOM 876 CA LEU A 54 0.083 4.203 -1.931 1.00 0.00 C ATOM 877 C LEU A 54 -1.059 4.834 -2.723 1.00 0.00 C ATOM 878 O LEU A 54 -0.925 4.974 -3.937 1.00 0.00 O ATOM 879 CB LEU A 54 -0.097 2.716 -1.672 1.00 0.00 C ATOM 880 CG LEU A 54 1.247 1.972 -1.611 1.00 0.00 C ATOM 881 CD1 LEU A 54 1.078 0.611 -0.947 1.00 0.00 C ATOM 882 CD2 LEU A 54 1.801 1.723 -3.013 1.00 0.00 C ATOM 0 H LEU A 54 0.148 4.269 0.144 1.00 0.00 H new ATOM 0 HA LEU A 54 0.968 4.319 -2.557 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.632 2.574 -0.733 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.715 2.284 -2.459 1.00 0.00 H new ATOM 0 HG LEU A 54 1.930 2.600 -1.039 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.040 0.100 -0.914 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.703 0.745 0.068 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.369 0.012 -1.519 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.752 1.195 -2.940 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.094 1.119 -3.582 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.953 2.676 -3.519 1.00 0.00 H new ATOM 894 N SER A 55 -2.142 5.261 -2.070 1.00 0.00 N ATOM 895 CA SER A 55 -3.209 5.956 -2.775 1.00 0.00 C ATOM 896 C SER A 55 -2.866 7.396 -3.152 1.00 0.00 C ATOM 897 O SER A 55 -3.446 7.899 -4.113 1.00 0.00 O ATOM 898 CB SER A 55 -4.495 5.921 -1.956 1.00 0.00 C ATOM 899 OG SER A 55 -4.369 6.435 -0.635 1.00 0.00 O ATOM 0 H SER A 55 -2.298 5.138 -1.070 1.00 0.00 H new ATOM 0 HA SER A 55 -3.348 5.420 -3.714 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.261 6.491 -2.482 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.846 4.891 -1.899 1.00 0.00 H new ATOM 0 HG SER A 55 -3.429 6.645 -0.454 1.00 0.00 H new ATOM 905 N ASP A 56 -1.962 8.060 -2.429 1.00 0.00 N ATOM 906 CA ASP A 56 -1.872 9.518 -2.403 1.00 0.00 C ATOM 907 C ASP A 56 -1.050 9.969 -3.611 1.00 0.00 C ATOM 908 O ASP A 56 0.165 9.771 -3.628 1.00 0.00 O ATOM 909 CB ASP A 56 -1.201 9.970 -1.095 1.00 0.00 C ATOM 910 CG ASP A 56 -0.965 11.482 -1.001 1.00 0.00 C ATOM 911 OD1 ASP A 56 -0.738 12.181 -2.012 1.00 0.00 O ATOM 912 OD2 ASP A 56 -0.978 12.005 0.134 1.00 0.00 O ATOM 0 H ASP A 56 -1.268 7.597 -1.842 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.866 9.964 -2.450 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.821 9.657 -0.255 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.245 9.457 -0.994 1.00 0.00 H new ATOM 917 N PRO A 57 -1.662 10.569 -4.645 1.00 0.00 N ATOM 918 CA PRO A 57 -0.972 10.809 -5.901 1.00 0.00 C ATOM 919 C PRO A 57 0.103 11.886 -5.801 1.00 0.00 C ATOM 920 O PRO A 57 0.868 12.027 -6.751 1.00 0.00 O ATOM 921 CB PRO A 57 -2.065 11.234 -6.886 1.00 0.00 C ATOM 922 CG PRO A 57 -3.096 11.907 -5.984 1.00 0.00 C ATOM 923 CD PRO A 57 -3.025 11.077 -4.705 1.00 0.00 C ATOM 0 HA PRO A 57 -0.441 9.911 -6.216 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.682 11.919 -7.643 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.487 10.379 -7.414 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.851 12.953 -5.801 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.093 11.886 -6.424 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.256 11.684 -3.830 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.747 10.261 -4.726 1.00 0.00 H new ATOM 931 N ARG A 58 0.177 12.655 -4.713 1.00 0.00 N ATOM 932 CA ARG A 58 1.115 13.764 -4.576 1.00 0.00 C ATOM 933 C ARG A 58 2.241 13.394 -3.635 1.00 0.00 C ATOM 934 O ARG A 58 3.384 13.756 -3.903 1.00 0.00 O ATOM 935 CB ARG A 58 0.379 14.988 -4.029 1.00 0.00 C ATOM 936 CG ARG A 58 -0.592 15.593 -5.050 1.00 0.00 C ATOM 937 CD ARG A 58 -1.376 16.771 -4.466 1.00 0.00 C ATOM 938 NE ARG A 58 -0.484 17.778 -3.862 1.00 0.00 N ATOM 939 CZ ARG A 58 -0.534 19.108 -3.962 1.00 0.00 C ATOM 940 NH1 ARG A 58 -1.422 19.721 -4.738 1.00 0.00 N ATOM 941 NH2 ARG A 58 0.331 19.827 -3.263 1.00 0.00 N ATOM 0 H ARG A 58 -0.419 12.522 -3.896 1.00 0.00 H new ATOM 0 HA ARG A 58 1.536 13.990 -5.556 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.171 14.706 -3.131 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.107 15.743 -3.732 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.036 15.926 -5.926 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.288 14.825 -5.387 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.971 17.237 -5.252 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.074 16.405 -3.713 1.00 0.00 H new ATOM 0 HE ARG A 58 0.275 17.408 -3.290 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.091 19.173 -5.279 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.434 20.739 -4.793 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.015 19.363 -2.665 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.313 20.845 -3.322 1.00 0.00 H new ATOM 955 N LYS A 59 1.972 12.648 -2.563 1.00 0.00 N ATOM 956 CA LYS A 59 3.056 12.141 -1.737 1.00 0.00 C ATOM 957 C LYS A 59 3.735 11.013 -2.494 1.00 0.00 C ATOM 958 O LYS A 59 4.967 10.991 -2.551 1.00 0.00 O ATOM 959 CB LYS A 59 2.550 11.697 -0.354 1.00 0.00 C ATOM 960 CG LYS A 59 3.693 11.537 0.667 1.00 0.00 C ATOM 961 CD LYS A 59 4.013 12.805 1.482 1.00 0.00 C ATOM 962 CE LYS A 59 4.383 14.007 0.604 1.00 0.00 C ATOM 963 NZ LYS A 59 5.026 15.099 1.360 1.00 0.00 N ATOM 0 H LYS A 59 1.035 12.389 -2.255 1.00 0.00 H new ATOM 0 HA LYS A 59 3.782 12.931 -1.543 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.833 12.428 0.019 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.019 10.750 -0.451 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.435 10.734 1.357 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.593 11.225 0.138 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.150 13.063 2.096 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.837 12.593 2.164 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.054 13.677 -0.189 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.483 14.388 0.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.252 15.882 0.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.378 15.437 2.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.901 14.749 1.799 1.00 0.00 H new ATOM 977 N ARG A 60 2.980 10.102 -3.126 1.00 0.00 N ATOM 978 CA ARG A 60 3.618 9.053 -3.884 1.00 0.00 C ATOM 979 C ARG A 60 4.309 9.565 -5.126 1.00 0.00 C ATOM 980 O ARG A 60 5.217 8.876 -5.549 1.00 0.00 O ATOM 981 CB ARG A 60 2.637 7.937 -4.247 1.00 0.00 C ATOM 982 CG ARG A 60 3.329 6.615 -3.946 1.00 0.00 C ATOM 983 CD ARG A 60 2.447 5.438 -4.331 1.00 0.00 C ATOM 984 NE ARG A 60 2.474 5.185 -5.783 1.00 0.00 N ATOM 985 CZ ARG A 60 1.534 5.515 -6.681 1.00 0.00 C ATOM 986 NH1 ARG A 60 0.308 5.869 -6.306 1.00 0.00 N ATOM 987 NH2 ARG A 60 1.853 5.487 -7.969 1.00 0.00 N ATOM 0 H ARG A 60 1.960 10.081 -3.121 1.00 0.00 H new ATOM 0 HA ARG A 60 4.386 8.641 -3.229 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.717 8.030 -3.670 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.360 7.995 -5.300 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.271 6.561 -4.491 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.571 6.561 -2.885 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.780 4.546 -3.800 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.422 5.633 -4.015 1.00 0.00 H new ATOM 0 HE ARG A 60 3.299 4.706 -6.145 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.065 5.894 -5.316 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.389 6.116 -7.009 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.795 5.219 -8.256 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.157 5.733 -8.672 1.00 0.00 H new ATOM 1001 N GLU A 61 3.975 10.733 -5.678 1.00 0.00 N ATOM 1002 CA GLU A 61 4.708 11.308 -6.811 1.00 0.00 C ATOM 1003 C GLU A 61 6.203 11.390 -6.505 1.00 0.00 C ATOM 1004 O GLU A 61 7.034 11.115 -7.371 1.00 0.00 O ATOM 1005 CB GLU A 61 4.116 12.689 -7.117 1.00 0.00 C ATOM 1006 CG GLU A 61 4.739 13.481 -8.274 1.00 0.00 C ATOM 1007 CD GLU A 61 5.938 14.346 -7.865 1.00 0.00 C ATOM 1008 OE1 GLU A 61 5.943 14.917 -6.752 1.00 0.00 O ATOM 1009 OE2 GLU A 61 6.862 14.558 -8.682 1.00 0.00 O ATOM 0 H GLU A 61 3.194 11.305 -5.356 1.00 0.00 H new ATOM 0 HA GLU A 61 4.603 10.670 -7.688 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.054 12.562 -7.329 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.191 13.295 -6.214 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.055 12.783 -9.049 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.975 14.122 -8.714 1.00 0.00 H new ATOM 1016 N ILE A 62 6.531 11.695 -5.251 1.00 0.00 N ATOM 1017 CA ILE A 62 7.900 11.819 -4.782 1.00 0.00 C ATOM 1018 C ILE A 62 8.536 10.426 -4.657 1.00 0.00 C ATOM 1019 O ILE A 62 9.626 10.205 -5.184 1.00 0.00 O ATOM 1020 CB ILE A 62 7.965 12.609 -3.453 1.00 0.00 C ATOM 1021 CG1 ILE A 62 7.075 13.871 -3.444 1.00 0.00 C ATOM 1022 CG2 ILE A 62 9.431 12.998 -3.229 1.00 0.00 C ATOM 1023 CD1 ILE A 62 7.120 14.616 -2.107 1.00 0.00 C ATOM 0 H ILE A 62 5.837 11.865 -4.523 1.00 0.00 H new ATOM 0 HA ILE A 62 8.475 12.388 -5.512 1.00 0.00 H new ATOM 0 HB ILE A 62 7.583 11.975 -2.653 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.396 14.543 -4.240 1.00 0.00 H new ATOM 0 HG13 ILE A 62 6.046 13.586 -3.662 1.00 0.00 H new ATOM 0 HG21 ILE A 62 9.521 13.559 -2.299 1.00 0.00 H new ATOM 0 HG22 ILE A 62 10.042 12.097 -3.170 1.00 0.00 H new ATOM 0 HG23 ILE A 62 9.775 13.615 -4.059 1.00 0.00 H new ATOM 0 HD11 ILE A 62 6.476 15.494 -2.158 1.00 0.00 H new ATOM 0 HD12 ILE A 62 6.772 13.957 -1.311 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.143 14.928 -1.899 1.00 0.00 H new ATOM 1035 N PHE A 63 7.880 9.470 -3.988 1.00 0.00 N ATOM 1036 CA PHE A 63 8.400 8.105 -3.863 1.00 0.00 C ATOM 1037 C PHE A 63 8.432 7.381 -5.223 1.00 0.00 C ATOM 1038 O PHE A 63 9.184 6.427 -5.420 1.00 0.00 O ATOM 1039 CB PHE A 63 7.528 7.352 -2.845 1.00 0.00 C ATOM 1040 CG PHE A 63 7.913 5.910 -2.583 1.00 0.00 C ATOM 1041 CD1 PHE A 63 8.951 5.608 -1.682 1.00 0.00 C ATOM 1042 CD2 PHE A 63 7.201 4.868 -3.205 1.00 0.00 C ATOM 1043 CE1 PHE A 63 9.238 4.267 -1.366 1.00 0.00 C ATOM 1044 CE2 PHE A 63 7.499 3.531 -2.891 1.00 0.00 C ATOM 1045 CZ PHE A 63 8.492 3.230 -1.950 1.00 0.00 C ATOM 0 H PHE A 63 6.984 9.619 -3.523 1.00 0.00 H new ATOM 0 HA PHE A 63 9.432 8.138 -3.513 1.00 0.00 H new ATOM 0 HB2 PHE A 63 7.558 7.893 -1.899 1.00 0.00 H new ATOM 0 HB3 PHE A 63 6.495 7.375 -3.193 1.00 0.00 H new ATOM 0 HD1 PHE A 63 9.527 6.404 -1.234 1.00 0.00 H new ATOM 0 HD2 PHE A 63 6.427 5.095 -3.923 1.00 0.00 H new ATOM 0 HE1 PHE A 63 10.033 4.035 -0.673 1.00 0.00 H new ATOM 0 HE2 PHE A 63 6.960 2.732 -3.378 1.00 0.00 H new ATOM 0 HZ PHE A 63 8.683 2.203 -1.674 1.00 0.00 H new ATOM 1055 N ASP A 64 7.602 7.810 -6.166 1.00 0.00 N ATOM 1056 CA ASP A 64 7.534 7.331 -7.535 1.00 0.00 C ATOM 1057 C ASP A 64 8.685 7.881 -8.370 1.00 0.00 C ATOM 1058 O ASP A 64 9.226 7.156 -9.206 1.00 0.00 O ATOM 1059 CB ASP A 64 6.203 7.745 -8.168 1.00 0.00 C ATOM 1060 CG ASP A 64 6.171 7.328 -9.626 1.00 0.00 C ATOM 1061 OD1 ASP A 64 6.070 6.108 -9.880 1.00 0.00 O ATOM 1062 OD2 ASP A 64 6.279 8.216 -10.502 1.00 0.00 O ATOM 0 H ASP A 64 6.919 8.545 -5.981 1.00 0.00 H new ATOM 0 HA ASP A 64 7.611 6.244 -7.514 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.375 7.282 -7.630 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.072 8.824 -8.087 1.00 0.00 H new ATOM 1067 N ARG A 65 9.063 9.148 -8.173 1.00 0.00 N ATOM 1068 CA ARG A 65 10.172 9.739 -8.913 1.00 0.00 C ATOM 1069 C ARG A 65 11.459 9.201 -8.308 1.00 0.00 C ATOM 1070 O ARG A 65 12.264 8.598 -9.015 1.00 0.00 O ATOM 1071 CB ARG A 65 10.098 11.271 -8.901 1.00 0.00 C ATOM 1072 CG ARG A 65 11.445 11.976 -9.144 1.00 0.00 C ATOM 1073 CD ARG A 65 11.368 13.287 -9.939 1.00 0.00 C ATOM 1074 NE ARG A 65 10.352 14.229 -9.443 1.00 0.00 N ATOM 1075 CZ ARG A 65 10.057 15.403 -10.010 1.00 0.00 C ATOM 1076 NH1 ARG A 65 10.844 15.928 -10.942 1.00 0.00 N ATOM 1077 NH2 ARG A 65 8.987 16.085 -9.629 1.00 0.00 N ATOM 0 H ARG A 65 8.616 9.779 -7.508 1.00 0.00 H new ATOM 0 HA ARG A 65 10.128 9.462 -9.966 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.390 11.594 -9.664 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.700 11.596 -7.939 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.907 12.183 -8.179 1.00 0.00 H new ATOM 0 HG3 ARG A 65 12.105 11.289 -9.673 1.00 0.00 H new ATOM 0 HD2 ARG A 65 12.343 13.773 -9.913 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.155 13.055 -10.983 1.00 0.00 H new ATOM 0 HE ARG A 65 9.834 13.967 -8.604 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.687 15.434 -11.235 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.605 16.825 -11.365 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.380 15.715 -8.897 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.770 16.980 -10.067 1.00 0.00 H new ATOM 1091 N TYR A 66 11.658 9.452 -7.017 1.00 0.00 N ATOM 1092 CA TYR A 66 12.850 9.049 -6.304 1.00 0.00 C ATOM 1093 C TYR A 66 12.568 7.669 -5.711 1.00 0.00 C ATOM 1094 O TYR A 66 12.703 6.658 -6.398 1.00 0.00 O ATOM 1095 CB TYR A 66 13.272 10.137 -5.295 1.00 0.00 C ATOM 1096 CG TYR A 66 13.298 11.552 -5.847 1.00 0.00 C ATOM 1097 CD1 TYR A 66 14.325 11.942 -6.725 1.00 0.00 C ATOM 1098 CD2 TYR A 66 12.285 12.472 -5.511 1.00 0.00 C ATOM 1099 CE1 TYR A 66 14.329 13.234 -7.275 1.00 0.00 C ATOM 1100 CE2 TYR A 66 12.276 13.769 -6.058 1.00 0.00 C ATOM 1101 CZ TYR A 66 13.299 14.147 -6.956 1.00 0.00 C ATOM 1102 OH TYR A 66 13.338 15.379 -7.533 1.00 0.00 O ATOM 0 H TYR A 66 10.982 9.948 -6.436 1.00 0.00 H new ATOM 0 HA TYR A 66 13.720 8.953 -6.954 1.00 0.00 H new ATOM 0 HB2 TYR A 66 12.590 10.107 -4.446 1.00 0.00 H new ATOM 0 HB3 TYR A 66 14.264 9.893 -4.915 1.00 0.00 H new ATOM 0 HD1 TYR A 66 15.112 11.247 -6.977 1.00 0.00 H new ATOM 0 HD2 TYR A 66 11.505 12.178 -4.824 1.00 0.00 H new ATOM 0 HE1 TYR A 66 15.123 13.531 -7.945 1.00 0.00 H new ATOM 0 HE2 TYR A 66 11.496 14.467 -5.794 1.00 0.00 H new ATOM 0 HH TYR A 66 12.571 15.907 -7.229 1.00 0.00 H new ATOM 1112 N GLY A 67 12.110 7.588 -4.462 1.00 0.00 N ATOM 1113 CA GLY A 67 12.004 6.321 -3.748 1.00 0.00 C ATOM 1114 C GLY A 67 12.161 6.524 -2.252 1.00 0.00 C ATOM 1115 O GLY A 67 11.980 7.630 -1.746 1.00 0.00 O ATOM 0 H GLY A 67 11.804 8.396 -3.921 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.038 5.862 -3.957 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.769 5.632 -4.107 1.00 0.00 H new ATOM 1119 N GLU A 68 12.483 5.447 -1.534 1.00 0.00 N ATOM 1120 CA GLU A 68 12.778 5.491 -0.102 1.00 0.00 C ATOM 1121 C GLU A 68 13.930 6.451 0.202 1.00 0.00 C ATOM 1122 O GLU A 68 13.893 7.151 1.210 1.00 0.00 O ATOM 1123 CB GLU A 68 13.088 4.083 0.432 1.00 0.00 C ATOM 1124 CG GLU A 68 14.145 3.323 -0.390 1.00 0.00 C ATOM 1125 CD GLU A 68 14.701 2.097 0.327 1.00 0.00 C ATOM 1126 OE1 GLU A 68 13.994 1.507 1.172 1.00 0.00 O ATOM 1127 OE2 GLU A 68 15.841 1.705 -0.014 1.00 0.00 O ATOM 0 H GLU A 68 12.547 4.511 -1.934 1.00 0.00 H new ATOM 0 HA GLU A 68 11.891 5.866 0.408 1.00 0.00 H new ATOM 0 HB2 GLU A 68 13.433 4.164 1.463 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.167 3.500 0.449 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.704 3.012 -1.337 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.966 4.000 -0.627 1.00 0.00 H new ATOM 1134 N GLU A 69 14.908 6.528 -0.700 1.00 0.00 N ATOM 1135 CA GLU A 69 16.061 7.418 -0.650 1.00 0.00 C ATOM 1136 C GLU A 69 15.698 8.880 -0.943 1.00 0.00 C ATOM 1137 O GLU A 69 16.588 9.722 -1.075 1.00 0.00 O ATOM 1138 CB GLU A 69 17.092 6.927 -1.682 1.00 0.00 C ATOM 1139 CG GLU A 69 16.600 6.990 -3.154 1.00 0.00 C ATOM 1140 CD GLU A 69 17.621 7.553 -4.158 1.00 0.00 C ATOM 1141 OE1 GLU A 69 18.569 8.266 -3.753 1.00 0.00 O ATOM 1142 OE2 GLU A 69 17.465 7.332 -5.381 1.00 0.00 O ATOM 0 H GLU A 69 14.915 5.936 -1.531 1.00 0.00 H new ATOM 0 HA GLU A 69 16.465 7.392 0.362 1.00 0.00 H new ATOM 0 HB2 GLU A 69 17.998 7.526 -1.588 1.00 0.00 H new ATOM 0 HB3 GLU A 69 17.364 5.898 -1.446 1.00 0.00 H new ATOM 0 HG2 GLU A 69 16.318 5.986 -3.470 1.00 0.00 H new ATOM 0 HG3 GLU A 69 15.699 7.602 -3.194 1.00 0.00 H new ATOM 1149 N GLY A 70 14.413 9.176 -1.134 1.00 0.00 N ATOM 1150 CA GLY A 70 13.968 10.358 -1.836 1.00 0.00 C ATOM 1151 C GLY A 70 12.607 10.880 -1.417 1.00 0.00 C ATOM 1152 O GLY A 70 12.122 11.790 -2.077 1.00 0.00 O ATOM 0 H GLY A 70 13.650 8.588 -0.798 1.00 0.00 H new ATOM 0 HA2 GLY A 70 14.704 11.148 -1.689 1.00 0.00 H new ATOM 0 HA3 GLY A 70 13.944 10.140 -2.904 1.00 0.00 H new ATOM 1156 N LEU A 71 11.975 10.365 -0.355 1.00 0.00 N ATOM 1157 CA LEU A 71 10.602 10.756 -0.014 1.00 0.00 C ATOM 1158 C LEU A 71 10.529 12.245 0.342 1.00 0.00 C ATOM 1159 O LEU A 71 9.490 12.877 0.147 1.00 0.00 O ATOM 1160 CB LEU A 71 10.092 9.914 1.173 1.00 0.00 C ATOM 1161 CG LEU A 71 8.608 10.169 1.533 1.00 0.00 C ATOM 1162 CD1 LEU A 71 7.662 9.553 0.495 1.00 0.00 C ATOM 1163 CD2 LEU A 71 8.299 9.588 2.912 1.00 0.00 C ATOM 0 H LEU A 71 12.389 9.681 0.279 1.00 0.00 H new ATOM 0 HA LEU A 71 9.972 10.576 -0.885 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.222 8.858 0.938 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.709 10.125 2.047 1.00 0.00 H new ATOM 0 HG LEU A 71 8.449 11.247 1.541 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.629 9.752 0.781 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.859 9.992 -0.483 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.824 8.476 0.448 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.253 9.771 3.158 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.487 8.514 2.905 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.936 10.063 3.658 1.00 0.00 H new ATOM 1175 N LYS A 72 11.614 12.826 0.854 1.00 0.00 N ATOM 1176 CA LYS A 72 11.693 14.243 1.180 1.00 0.00 C ATOM 1177 C LYS A 72 12.192 15.095 0.004 1.00 0.00 C ATOM 1178 O LYS A 72 12.277 16.310 0.153 1.00 0.00 O ATOM 1179 CB LYS A 72 12.568 14.423 2.433 1.00 0.00 C ATOM 1180 CG LYS A 72 12.052 15.566 3.313 1.00 0.00 C ATOM 1181 CD LYS A 72 10.802 15.172 4.114 1.00 0.00 C ATOM 1182 CE LYS A 72 10.060 16.426 4.582 1.00 0.00 C ATOM 1183 NZ LYS A 72 9.162 16.953 3.531 1.00 0.00 N ATOM 0 H LYS A 72 12.473 12.315 1.055 1.00 0.00 H new ATOM 0 HA LYS A 72 10.686 14.604 1.390 1.00 0.00 H new ATOM 0 HB2 LYS A 72 12.580 13.496 3.007 1.00 0.00 H new ATOM 0 HB3 LYS A 72 13.596 14.627 2.135 1.00 0.00 H new ATOM 0 HG2 LYS A 72 12.839 15.874 4.002 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.822 16.427 2.686 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.144 14.559 3.498 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.088 14.567 4.974 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.479 16.194 5.474 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.782 17.193 4.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.676 17.802 3.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.720 17.198 2.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.458 16.230 3.281 1.00 0.00 H new ATOM 1197 N GLY A 73 12.509 14.491 -1.145 1.00 0.00 N ATOM 1198 CA GLY A 73 13.048 15.166 -2.315 1.00 0.00 C ATOM 1199 C GLY A 73 12.141 16.317 -2.735 1.00 0.00 C ATOM 1200 O GLY A 73 11.011 16.077 -3.166 1.00 0.00 O ATOM 0 H GLY A 73 12.392 13.487 -1.284 1.00 0.00 H new ATOM 0 HA2 GLY A 73 14.047 15.544 -2.096 1.00 0.00 H new ATOM 0 HA3 GLY A 73 13.149 14.457 -3.137 1.00 0.00 H new ATOM 1204 N SER A 74 12.635 17.552 -2.604 1.00 0.00 N ATOM 1205 CA SER A 74 11.869 18.791 -2.573 1.00 0.00 C ATOM 1206 C SER A 74 10.879 18.784 -1.402 1.00 0.00 C ATOM 1207 O SER A 74 9.827 18.137 -1.434 1.00 0.00 O ATOM 1208 CB SER A 74 11.224 19.092 -3.927 1.00 0.00 C ATOM 1209 OG SER A 74 12.206 19.171 -4.946 1.00 0.00 O ATOM 0 H SER A 74 13.637 17.718 -2.512 1.00 0.00 H new ATOM 0 HA SER A 74 12.552 19.621 -2.393 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.501 18.314 -4.172 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.674 20.031 -3.872 1.00 0.00 H new ATOM 0 HG SER A 74 11.773 19.362 -5.804 1.00 0.00 H new ATOM 1215 N GLY A 75 11.244 19.498 -0.340 1.00 0.00 N ATOM 1216 CA GLY A 75 10.401 19.771 0.809 1.00 0.00 C ATOM 1217 C GLY A 75 9.286 20.731 0.427 1.00 0.00 C ATOM 1218 O GLY A 75 8.110 20.386 0.583 1.00 0.00 O ATOM 0 H GLY A 75 12.171 19.916 -0.258 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.976 18.841 1.187 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.999 20.198 1.614 1.00 0.00 H new ATOM 1222 N CYS A 76 9.694 21.890 -0.103 1.00 0.00 N ATOM 1223 CA CYS A 76 8.896 22.990 -0.635 1.00 0.00 C ATOM 1224 C CYS A 76 7.586 23.180 0.123 1.00 0.00 C ATOM 1225 O CYS A 76 6.500 23.079 -0.492 1.00 0.00 O ATOM 1226 CB CYS A 76 8.746 22.842 -2.163 1.00 0.00 C ATOM 1227 SG CYS A 76 8.340 21.135 -2.657 1.00 0.00 S ATOM 0 H CYS A 76 10.690 22.097 -0.175 1.00 0.00 H new ATOM 0 HA CYS A 76 9.425 23.928 -0.468 1.00 0.00 H new ATOM 0 HB2 CYS A 76 7.965 23.515 -2.516 1.00 0.00 H new ATOM 0 HB3 CYS A 76 9.673 23.147 -2.648 1.00 0.00 H new ATOM 0 HG CYS A 76 8.225 21.073 -3.950 1.00 0.00 H new TER 1233 CYS A 76