USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 826 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 1 HIS N :NH3+ -170:sc= 0.635 (180deg=-0.114) USER MOD Set 1.2: A 3 THR OG1 : rot 73:sc= 1.35 USER MOD Set 1.3: A 9 TYR OH : rot 180:sc= 0 USER MOD Set 1.4: A 28 CYS SG : rot -20:sc= 1.63 USER MOD Set 1.5: A 31 MET CE :methyl 157:sc= -0.179 (180deg=-0.714) USER MOD Set 2.1: A 1 HIS : no HD1:sc= -0.0142 X(o=-0.014,f=-0.0063) USER MOD Set 2.2: A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 CYS SG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0216 USER MOD Single : A 11 GLN : amide:sc= -0.968 K(o=-0.97,f=-0.16) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot -110:sc= 0.19 USER MOD Single : A 19 HIS : no HE2:sc= -1.32 K(o=-1.3,f=-3!) USER MOD Single : A 20 MET CE :methyl 175:sc= -0.71 (180deg=-0.721) USER MOD Single : A 21 LYS NZ :NH3+ -171:sc= 0.91 (180deg=0.83) USER MOD Single : A 34 LYS NZ :NH3+ -146:sc= -2.85! (180deg=-4.32!) USER MOD Single : A 35 LYS NZ :NH3+ -156:sc= -0.207 (180deg=-0.731) USER MOD Single : A 41 HIS : no HD1:sc= -2.63! C(o=-2.6!,f=-2.3!) USER MOD Single : A 43 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0996) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 30:sc= 1.21 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.624 USER MOD Single : A 71 MET CE :methyl 174:sc= -4.73! (180deg=-4.75!) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 58:sc= -0.271 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot -25:sc= 0.0246 USER MOD Single : A 79 TYR OH : rot -153:sc= 0.926 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 0.150 7.426 -11.685 1.00 0.00 N ATOM 2 CA HIS A 1 1.510 7.684 -11.180 1.00 0.00 C ATOM 3 C HIS A 1 1.495 8.157 -9.718 1.00 0.00 C ATOM 4 O HIS A 1 2.547 8.301 -9.113 1.00 0.00 O ATOM 5 CB HIS A 1 2.282 8.695 -12.070 1.00 0.00 C ATOM 6 CG HIS A 1 1.733 10.100 -12.077 1.00 0.00 C ATOM 7 ND1 HIS A 1 2.301 11.147 -11.383 1.00 0.00 N ATOM 8 CD2 HIS A 1 0.662 10.619 -12.725 1.00 0.00 C ATOM 9 CE1 HIS A 1 1.579 12.244 -11.621 1.00 0.00 C ATOM 10 NE2 HIS A 1 0.567 11.977 -12.433 1.00 0.00 N ATOM 0 H1 HIS A 1 0.207 6.951 -12.608 1.00 0.00 H new ATOM 0 H2 HIS A 1 -0.360 6.817 -11.013 1.00 0.00 H new ATOM 0 H3 HIS A 1 -0.358 8.327 -11.790 1.00 0.00 H new ATOM 0 HA HIS A 1 2.039 6.732 -11.223 1.00 0.00 H new ATOM 0 HB2 HIS A 1 3.319 8.730 -11.736 1.00 0.00 H new ATOM 0 HB3 HIS A 1 2.289 8.321 -13.094 1.00 0.00 H new ATOM 0 HD2 HIS A 1 -0.010 10.067 -13.365 1.00 0.00 H new ATOM 0 HE1 HIS A 1 1.791 13.219 -11.207 1.00 0.00 H new ATOM 0 HE2 HIS A 1 -0.137 12.632 -12.774 1.00 0.00 H new ATOM 18 N MET A 2 0.303 8.434 -9.172 1.00 0.00 N ATOM 19 CA MET A 2 0.134 8.844 -7.773 1.00 0.00 C ATOM 20 C MET A 2 -1.336 8.931 -7.455 1.00 0.00 C ATOM 21 O MET A 2 -2.120 9.433 -8.256 1.00 0.00 O ATOM 22 CB MET A 2 0.814 10.186 -7.445 1.00 0.00 C ATOM 23 CG MET A 2 0.267 11.394 -8.192 1.00 0.00 C ATOM 24 SD MET A 2 1.113 12.922 -7.748 1.00 0.00 S ATOM 25 CE MET A 2 0.131 14.111 -8.660 1.00 0.00 C ATOM 0 H MET A 2 -0.574 8.380 -9.691 1.00 0.00 H new ATOM 0 HA MET A 2 0.621 8.088 -7.157 1.00 0.00 H new ATOM 0 HB2 MET A 2 0.721 10.369 -6.375 1.00 0.00 H new ATOM 0 HB3 MET A 2 1.879 10.097 -7.662 1.00 0.00 H new ATOM 0 HG2 MET A 2 0.363 11.228 -9.265 1.00 0.00 H new ATOM 0 HG3 MET A 2 -0.797 11.497 -7.980 1.00 0.00 H new ATOM 0 HE1 MET A 2 0.525 15.113 -8.492 1.00 0.00 H new ATOM 0 HE2 MET A 2 0.173 13.878 -9.724 1.00 0.00 H new ATOM 0 HE3 MET A 2 -0.903 14.066 -8.319 1.00 0.00 H new ATOM 35 N THR A 3 -1.718 8.419 -6.337 1.00 0.00 N ATOM 36 CA THR A 3 -3.094 8.441 -5.954 1.00 0.00 C ATOM 37 C THR A 3 -3.247 8.881 -4.505 1.00 0.00 C ATOM 38 O THR A 3 -2.610 8.326 -3.600 1.00 0.00 O ATOM 39 CB THR A 3 -3.710 7.052 -6.161 1.00 0.00 C ATOM 40 OG1 THR A 3 -3.550 6.677 -7.541 1.00 0.00 O ATOM 41 CG2 THR A 3 -5.194 7.034 -5.794 1.00 0.00 C ATOM 0 H THR A 3 -1.093 7.975 -5.664 1.00 0.00 H new ATOM 0 HA THR A 3 -3.620 9.162 -6.580 1.00 0.00 H new ATOM 0 HB THR A 3 -3.199 6.344 -5.509 1.00 0.00 H new ATOM 0 HG1 THR A 3 -2.613 6.447 -7.711 1.00 0.00 H new ATOM 0 HG21 THR A 3 -5.596 6.034 -5.954 1.00 0.00 H new ATOM 0 HG22 THR A 3 -5.313 7.310 -4.746 1.00 0.00 H new ATOM 0 HG23 THR A 3 -5.732 7.745 -6.420 1.00 0.00 H new ATOM 49 N PHE A 4 -4.033 9.921 -4.301 1.00 0.00 N ATOM 50 CA PHE A 4 -4.313 10.418 -2.972 1.00 0.00 C ATOM 51 C PHE A 4 -5.816 10.387 -2.714 1.00 0.00 C ATOM 52 O PHE A 4 -6.291 10.767 -1.646 1.00 0.00 O ATOM 53 CB PHE A 4 -3.733 11.829 -2.796 1.00 0.00 C ATOM 54 CG PHE A 4 -2.264 11.860 -3.094 1.00 0.00 C ATOM 55 CD1 PHE A 4 -1.358 11.374 -2.182 1.00 0.00 C ATOM 56 CD2 PHE A 4 -1.799 12.326 -4.309 1.00 0.00 C ATOM 57 CE1 PHE A 4 -0.015 11.344 -2.470 1.00 0.00 C ATOM 58 CE2 PHE A 4 -0.458 12.309 -4.599 1.00 0.00 C ATOM 59 CZ PHE A 4 0.434 11.814 -3.679 1.00 0.00 C ATOM 0 H PHE A 4 -4.492 10.441 -5.049 1.00 0.00 H new ATOM 0 HA PHE A 4 -3.833 9.774 -2.235 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -4.254 12.523 -3.456 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.906 12.170 -1.775 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.706 11.011 -1.226 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -2.498 12.708 -5.038 1.00 0.00 H new ATOM 0 HE1 PHE A 4 0.685 10.952 -1.747 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -0.105 12.684 -5.548 1.00 0.00 H new ATOM 0 HZ PHE A 4 1.489 11.795 -3.907 1.00 0.00 H new ATOM 69 N CYS A 5 -6.537 9.868 -3.685 1.00 0.00 N ATOM 70 CA CYS A 5 -7.975 9.776 -3.625 1.00 0.00 C ATOM 71 C CYS A 5 -8.398 8.394 -3.125 1.00 0.00 C ATOM 72 O CYS A 5 -8.364 7.412 -3.865 1.00 0.00 O ATOM 73 CB CYS A 5 -8.552 10.056 -5.009 1.00 0.00 C ATOM 74 SG CYS A 5 -7.996 11.629 -5.710 1.00 0.00 S ATOM 0 H CYS A 5 -6.135 9.495 -4.545 1.00 0.00 H new ATOM 0 HA CYS A 5 -8.361 10.516 -2.924 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -8.272 9.246 -5.683 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -9.640 10.058 -4.948 1.00 0.00 H new ATOM 0 HG CYS A 5 -8.527 11.792 -6.885 1.00 0.00 H new ATOM 80 N LEU A 6 -8.766 8.331 -1.867 1.00 0.00 N ATOM 81 CA LEU A 6 -9.155 7.079 -1.221 1.00 0.00 C ATOM 82 C LEU A 6 -10.656 6.832 -1.298 1.00 0.00 C ATOM 83 O LEU A 6 -11.122 5.698 -1.395 1.00 0.00 O ATOM 84 CB LEU A 6 -8.635 7.046 0.237 1.00 0.00 C ATOM 85 CG LEU A 6 -8.762 8.304 1.078 1.00 0.00 C ATOM 86 CD1 LEU A 6 -10.193 8.584 1.517 1.00 0.00 C ATOM 87 CD2 LEU A 6 -7.892 8.209 2.267 1.00 0.00 C ATOM 0 H LEU A 6 -8.807 9.144 -1.252 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.688 6.260 -1.768 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.158 6.244 0.758 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.580 6.772 0.207 1.00 0.00 H new ATOM 0 HG LEU A 6 -8.449 9.135 0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -10.219 9.495 2.114 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -10.825 8.708 0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -10.561 7.749 2.113 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.990 9.116 2.863 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.187 7.347 2.866 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -6.855 8.093 1.951 1.00 0.00 H new ATOM 99 N GLU A 7 -11.403 7.910 -1.331 1.00 0.00 N ATOM 100 CA GLU A 7 -12.850 7.863 -1.356 1.00 0.00 C ATOM 101 C GLU A 7 -13.334 7.309 -2.689 1.00 0.00 C ATOM 102 O GLU A 7 -14.396 6.695 -2.778 1.00 0.00 O ATOM 103 CB GLU A 7 -13.384 9.266 -1.073 1.00 0.00 C ATOM 104 CG GLU A 7 -14.878 9.476 -1.236 1.00 0.00 C ATOM 105 CD GLU A 7 -15.244 10.927 -1.054 1.00 0.00 C ATOM 106 OE1 GLU A 7 -14.775 11.776 -1.859 1.00 0.00 O ATOM 107 OE2 GLU A 7 -15.996 11.269 -0.131 1.00 0.00 O ATOM 0 H GLU A 7 -11.021 8.856 -1.341 1.00 0.00 H new ATOM 0 HA GLU A 7 -13.230 7.191 -0.586 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.113 9.533 -0.051 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.869 9.965 -1.732 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.190 9.140 -2.225 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -15.416 8.868 -0.508 1.00 0.00 H new ATOM 114 N THR A 8 -12.502 7.452 -3.698 1.00 0.00 N ATOM 115 CA THR A 8 -12.796 6.947 -5.000 1.00 0.00 C ATOM 116 C THR A 8 -12.825 5.416 -4.947 1.00 0.00 C ATOM 117 O THR A 8 -13.631 4.766 -5.611 1.00 0.00 O ATOM 118 CB THR A 8 -11.737 7.430 -6.006 1.00 0.00 C ATOM 119 OG1 THR A 8 -11.635 8.866 -5.934 1.00 0.00 O ATOM 120 CG2 THR A 8 -12.085 7.023 -7.426 1.00 0.00 C ATOM 0 H THR A 8 -11.601 7.926 -3.627 1.00 0.00 H new ATOM 0 HA THR A 8 -13.769 7.315 -5.326 1.00 0.00 H new ATOM 0 HB THR A 8 -10.786 6.965 -5.746 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.960 9.178 -6.572 1.00 0.00 H new ATOM 0 HG21 THR A 8 -11.313 7.382 -8.107 1.00 0.00 H new ATOM 0 HG22 THR A 8 -12.147 5.937 -7.488 1.00 0.00 H new ATOM 0 HG23 THR A 8 -13.045 7.457 -7.704 1.00 0.00 H new ATOM 128 N TYR A 9 -12.002 4.856 -4.084 1.00 0.00 N ATOM 129 CA TYR A 9 -11.936 3.436 -3.932 1.00 0.00 C ATOM 130 C TYR A 9 -13.120 2.898 -3.185 1.00 0.00 C ATOM 131 O TYR A 9 -13.570 1.773 -3.437 1.00 0.00 O ATOM 132 CB TYR A 9 -10.603 2.994 -3.358 1.00 0.00 C ATOM 133 CG TYR A 9 -9.622 2.715 -4.457 1.00 0.00 C ATOM 134 CD1 TYR A 9 -9.153 3.733 -5.279 1.00 0.00 C ATOM 135 CD2 TYR A 9 -9.226 1.422 -4.727 1.00 0.00 C ATOM 136 CE1 TYR A 9 -8.307 3.460 -6.328 1.00 0.00 C ATOM 137 CE2 TYR A 9 -8.395 1.142 -5.781 1.00 0.00 C ATOM 138 CZ TYR A 9 -7.935 2.158 -6.574 1.00 0.00 C ATOM 139 OH TYR A 9 -7.133 1.864 -7.649 1.00 0.00 O ATOM 0 H TYR A 9 -11.369 5.377 -3.477 1.00 0.00 H new ATOM 0 HA TYR A 9 -11.992 2.993 -4.926 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -10.209 3.769 -2.700 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -10.741 2.100 -2.751 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -9.457 4.752 -5.091 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -9.576 0.617 -4.098 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -7.938 4.260 -6.953 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -8.104 0.122 -5.985 1.00 0.00 H new ATOM 0 HH TYR A 9 -6.964 0.899 -7.677 1.00 0.00 H new ATOM 149 N LEU A 10 -13.669 3.720 -2.317 1.00 0.00 N ATOM 150 CA LEU A 10 -14.847 3.353 -1.579 1.00 0.00 C ATOM 151 C LEU A 10 -16.020 3.301 -2.553 1.00 0.00 C ATOM 152 O LEU A 10 -16.869 2.422 -2.468 1.00 0.00 O ATOM 153 CB LEU A 10 -15.089 4.354 -0.428 1.00 0.00 C ATOM 154 CG LEU A 10 -16.185 3.994 0.611 1.00 0.00 C ATOM 155 CD1 LEU A 10 -15.939 4.740 1.896 1.00 0.00 C ATOM 156 CD2 LEU A 10 -17.580 4.352 0.102 1.00 0.00 C ATOM 0 H LEU A 10 -13.312 4.652 -2.108 1.00 0.00 H new ATOM 0 HA LEU A 10 -14.727 2.372 -1.120 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -14.148 4.487 0.106 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -15.345 5.318 -0.868 1.00 0.00 H new ATOM 0 HG LEU A 10 -16.136 2.918 0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -16.712 4.482 2.620 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -14.962 4.466 2.295 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -15.964 5.813 1.705 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -18.322 4.086 0.855 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -17.632 5.423 -0.096 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -17.784 3.803 -0.817 1.00 0.00 H new ATOM 168 N GLN A 11 -15.994 4.201 -3.533 1.00 0.00 N ATOM 169 CA GLN A 11 -17.022 4.283 -4.545 1.00 0.00 C ATOM 170 C GLN A 11 -16.981 3.051 -5.408 1.00 0.00 C ATOM 171 O GLN A 11 -18.015 2.479 -5.747 1.00 0.00 O ATOM 172 CB GLN A 11 -16.846 5.551 -5.390 1.00 0.00 C ATOM 173 CG GLN A 11 -17.101 6.836 -4.616 1.00 0.00 C ATOM 174 CD GLN A 11 -18.522 6.935 -4.070 1.00 0.00 C ATOM 175 OE1 GLN A 11 -18.751 7.529 -3.023 1.00 0.00 O ATOM 176 NE2 GLN A 11 -19.480 6.391 -4.781 1.00 0.00 N ATOM 0 H GLN A 11 -15.252 4.893 -3.640 1.00 0.00 H new ATOM 0 HA GLN A 11 -17.997 4.339 -4.061 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -15.833 5.573 -5.791 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -17.525 5.508 -6.241 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -16.395 6.900 -3.788 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -16.908 7.689 -5.266 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -19.257 5.903 -5.649 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -20.448 6.456 -4.467 1.00 0.00 H new ATOM 185 N GLN A 12 -15.769 2.584 -5.684 1.00 0.00 N ATOM 186 CA GLN A 12 -15.578 1.393 -6.493 1.00 0.00 C ATOM 187 C GLN A 12 -15.943 0.132 -5.709 1.00 0.00 C ATOM 188 O GLN A 12 -15.858 -0.983 -6.231 1.00 0.00 O ATOM 189 CB GLN A 12 -14.143 1.275 -7.006 1.00 0.00 C ATOM 190 CG GLN A 12 -13.658 2.440 -7.845 1.00 0.00 C ATOM 191 CD GLN A 12 -12.249 2.229 -8.379 1.00 0.00 C ATOM 192 OE1 GLN A 12 -11.423 1.534 -7.765 1.00 0.00 O ATOM 193 NE2 GLN A 12 -11.953 2.824 -9.501 1.00 0.00 N ATOM 0 H GLN A 12 -14.904 3.015 -5.357 1.00 0.00 H new ATOM 0 HA GLN A 12 -16.243 1.489 -7.351 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -13.477 1.162 -6.151 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -14.060 0.363 -7.597 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -14.341 2.590 -8.681 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -13.683 3.350 -7.246 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -12.655 3.388 -9.980 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.019 2.726 -9.900 1.00 0.00 H new ATOM 202 N SER A 13 -16.299 0.327 -4.436 1.00 0.00 N ATOM 203 CA SER A 13 -16.700 -0.720 -3.510 1.00 0.00 C ATOM 204 C SER A 13 -15.531 -1.654 -3.165 1.00 0.00 C ATOM 205 O SER A 13 -15.704 -2.705 -2.540 1.00 0.00 O ATOM 206 CB SER A 13 -17.924 -1.466 -4.039 1.00 0.00 C ATOM 207 OG SER A 13 -18.965 -0.527 -4.324 1.00 0.00 O ATOM 0 H SER A 13 -16.314 1.255 -4.013 1.00 0.00 H new ATOM 0 HA SER A 13 -16.993 -0.253 -2.570 1.00 0.00 H new ATOM 0 HB2 SER A 13 -17.664 -2.022 -4.940 1.00 0.00 H new ATOM 0 HB3 SER A 13 -18.267 -2.194 -3.303 1.00 0.00 H new ATOM 0 HG SER A 13 -19.751 -1.003 -4.665 1.00 0.00 H new ATOM 213 N GLY A 14 -14.344 -1.214 -3.515 1.00 0.00 N ATOM 214 CA GLY A 14 -13.153 -1.947 -3.250 1.00 0.00 C ATOM 215 C GLY A 14 -12.406 -1.268 -2.174 1.00 0.00 C ATOM 216 O GLY A 14 -11.287 -0.795 -2.378 1.00 0.00 O ATOM 0 H GLY A 14 -14.189 -0.328 -3.996 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -13.396 -2.968 -2.955 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.542 -2.013 -4.150 1.00 0.00 H new ATOM 220 N GLU A 15 -13.065 -1.161 -1.046 1.00 0.00 N ATOM 221 CA GLU A 15 -12.529 -0.521 0.114 1.00 0.00 C ATOM 222 C GLU A 15 -11.305 -1.251 0.605 1.00 0.00 C ATOM 223 O GLU A 15 -11.302 -2.479 0.750 1.00 0.00 O ATOM 224 CB GLU A 15 -13.586 -0.433 1.200 1.00 0.00 C ATOM 225 CG GLU A 15 -14.761 0.439 0.825 1.00 0.00 C ATOM 226 CD GLU A 15 -15.852 0.404 1.851 1.00 0.00 C ATOM 227 OE1 GLU A 15 -15.743 1.080 2.888 1.00 0.00 O ATOM 228 OE2 GLU A 15 -16.852 -0.294 1.633 1.00 0.00 O ATOM 0 H GLU A 15 -14.008 -1.526 -0.914 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.228 0.492 -0.152 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -13.946 -1.436 1.428 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -13.130 -0.043 2.110 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -14.420 1.466 0.696 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -15.159 0.113 -0.136 1.00 0.00 H new ATOM 235 N TYR A 16 -10.268 -0.503 0.768 1.00 0.00 N ATOM 236 CA TYR A 16 -9.003 -0.980 1.249 1.00 0.00 C ATOM 237 C TYR A 16 -8.404 0.144 2.074 1.00 0.00 C ATOM 238 O TYR A 16 -7.262 0.075 2.524 1.00 0.00 O ATOM 239 CB TYR A 16 -8.127 -1.285 0.007 1.00 0.00 C ATOM 240 CG TYR A 16 -6.777 -1.935 0.252 1.00 0.00 C ATOM 241 CD1 TYR A 16 -6.689 -3.217 0.759 1.00 0.00 C ATOM 242 CD2 TYR A 16 -5.593 -1.281 -0.080 1.00 0.00 C ATOM 243 CE1 TYR A 16 -5.467 -3.833 0.936 1.00 0.00 C ATOM 244 CE2 TYR A 16 -4.365 -1.893 0.104 1.00 0.00 C ATOM 245 CZ TYR A 16 -4.314 -3.173 0.611 1.00 0.00 C ATOM 246 OH TYR A 16 -3.105 -3.806 0.779 1.00 0.00 O ATOM 0 H TYR A 16 -10.271 0.496 0.564 1.00 0.00 H new ATOM 0 HA TYR A 16 -9.083 -1.880 1.858 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -8.698 -1.933 -0.658 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -7.959 -0.349 -0.526 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -7.593 -3.747 1.022 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.634 -0.281 -0.487 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.421 -4.837 1.331 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -3.454 -1.371 -0.148 1.00 0.00 H new ATOM 0 HH TYR A 16 -2.620 -3.393 1.523 1.00 0.00 H new ATOM 256 N GLU A 17 -9.248 1.154 2.337 1.00 0.00 N ATOM 257 CA GLU A 17 -8.833 2.359 3.013 1.00 0.00 C ATOM 258 C GLU A 17 -9.988 2.910 3.843 1.00 0.00 C ATOM 259 O GLU A 17 -11.109 2.391 3.786 1.00 0.00 O ATOM 260 CB GLU A 17 -8.480 3.418 1.978 1.00 0.00 C ATOM 261 CG GLU A 17 -7.541 2.965 0.887 1.00 0.00 C ATOM 262 CD GLU A 17 -7.250 4.064 -0.045 1.00 0.00 C ATOM 263 OE1 GLU A 17 -6.437 4.885 0.305 1.00 0.00 O ATOM 264 OE2 GLU A 17 -7.882 4.146 -1.140 1.00 0.00 O ATOM 0 H GLU A 17 -10.235 1.143 2.080 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.978 2.126 3.648 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.402 3.774 1.517 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.031 4.269 2.491 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.613 2.602 1.328 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.984 2.130 0.344 1.00 0.00 H new ATOM 271 N ILE A 18 -9.712 3.980 4.568 1.00 0.00 N ATOM 272 CA ILE A 18 -10.694 4.667 5.377 1.00 0.00 C ATOM 273 C ILE A 18 -10.667 6.156 4.996 1.00 0.00 C ATOM 274 O ILE A 18 -9.697 6.593 4.375 1.00 0.00 O ATOM 275 CB ILE A 18 -10.456 4.445 6.923 1.00 0.00 C ATOM 276 CG1 ILE A 18 -11.509 5.177 7.796 1.00 0.00 C ATOM 277 CG2 ILE A 18 -9.059 4.828 7.323 1.00 0.00 C ATOM 278 CD1 ILE A 18 -11.327 5.007 9.295 1.00 0.00 C ATOM 0 H ILE A 18 -8.783 4.400 4.609 1.00 0.00 H new ATOM 0 HA ILE A 18 -11.683 4.255 5.177 1.00 0.00 H new ATOM 0 HB ILE A 18 -10.579 3.378 7.107 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -11.480 6.241 7.559 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -12.501 4.817 7.522 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.929 4.663 8.393 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -8.343 4.219 6.772 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.891 5.881 7.095 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -12.109 5.554 9.821 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -11.389 3.949 9.551 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.352 5.395 9.590 1.00 0.00 H new ATOM 290 N HIS A 19 -11.730 6.919 5.317 1.00 0.00 N ATOM 291 CA HIS A 19 -11.803 8.371 5.048 1.00 0.00 C ATOM 292 C HIS A 19 -10.810 9.130 5.891 1.00 0.00 C ATOM 293 O HIS A 19 -11.133 9.714 6.918 1.00 0.00 O ATOM 294 CB HIS A 19 -13.203 8.964 5.257 1.00 0.00 C ATOM 295 CG HIS A 19 -14.184 8.690 4.168 1.00 0.00 C ATOM 296 ND1 HIS A 19 -14.553 9.626 3.224 1.00 0.00 N ATOM 297 CD2 HIS A 19 -14.923 7.593 3.909 1.00 0.00 C ATOM 298 CE1 HIS A 19 -15.483 9.088 2.446 1.00 0.00 C ATOM 299 NE2 HIS A 19 -15.750 7.852 2.818 1.00 0.00 N ATOM 0 H HIS A 19 -12.564 6.547 5.771 1.00 0.00 H new ATOM 0 HA HIS A 19 -11.557 8.482 3.992 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -13.607 8.577 6.192 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -13.108 10.044 5.374 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -14.175 10.570 3.139 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -14.881 6.664 4.458 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -15.958 9.595 1.619 1.00 0.00 H new ATOM 307 N MET A 20 -9.612 8.988 5.508 1.00 0.00 N ATOM 308 CA MET A 20 -8.482 9.630 6.105 1.00 0.00 C ATOM 309 C MET A 20 -7.639 10.295 5.004 1.00 0.00 C ATOM 310 O MET A 20 -8.161 11.144 4.261 1.00 0.00 O ATOM 311 CB MET A 20 -7.709 8.597 6.947 1.00 0.00 C ATOM 312 CG MET A 20 -8.332 8.315 8.315 1.00 0.00 C ATOM 313 SD MET A 20 -7.408 7.099 9.297 1.00 0.00 S ATOM 314 CE MET A 20 -5.854 7.955 9.548 1.00 0.00 C ATOM 0 H MET A 20 -9.358 8.388 4.723 1.00 0.00 H new ATOM 0 HA MET A 20 -8.783 10.427 6.785 1.00 0.00 H new ATOM 0 HB2 MET A 20 -7.646 7.663 6.389 1.00 0.00 H new ATOM 0 HB3 MET A 20 -6.688 8.952 7.091 1.00 0.00 H new ATOM 0 HG2 MET A 20 -8.397 9.248 8.875 1.00 0.00 H new ATOM 0 HG3 MET A 20 -9.352 7.956 8.174 1.00 0.00 H new ATOM 0 HE1 MET A 20 -5.218 7.368 10.210 1.00 0.00 H new ATOM 0 HE2 MET A 20 -5.354 8.089 8.589 1.00 0.00 H new ATOM 0 HE3 MET A 20 -6.044 8.930 9.998 1.00 0.00 H new ATOM 324 N LYS A 21 -6.376 9.940 4.872 1.00 0.00 N ATOM 325 CA LYS A 21 -5.539 10.499 3.816 1.00 0.00 C ATOM 326 C LYS A 21 -4.536 9.418 3.387 1.00 0.00 C ATOM 327 O LYS A 21 -3.798 8.901 4.216 1.00 0.00 O ATOM 328 CB LYS A 21 -4.846 11.802 4.328 1.00 0.00 C ATOM 329 CG LYS A 21 -4.175 12.696 3.272 1.00 0.00 C ATOM 330 CD LYS A 21 -2.958 12.047 2.690 1.00 0.00 C ATOM 331 CE LYS A 21 -2.260 12.897 1.665 1.00 0.00 C ATOM 332 NZ LYS A 21 -1.095 12.176 1.115 1.00 0.00 N ATOM 0 H LYS A 21 -5.903 9.270 5.478 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.129 10.784 2.945 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.592 12.399 4.853 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.091 11.519 5.061 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.886 12.916 2.476 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.899 13.649 3.724 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.260 11.814 3.494 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.244 11.100 2.232 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.951 13.153 0.862 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.937 13.834 2.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.534 12.823 0.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.507 11.821 1.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.423 11.376 0.537 1.00 0.00 H new ATOM 346 N ARG A 22 -4.540 9.078 2.105 1.00 0.00 N ATOM 347 CA ARG A 22 -3.675 8.023 1.558 1.00 0.00 C ATOM 348 C ARG A 22 -2.507 8.664 0.789 1.00 0.00 C ATOM 349 O ARG A 22 -2.561 9.873 0.480 1.00 0.00 O ATOM 350 CB ARG A 22 -4.496 7.137 0.610 1.00 0.00 C ATOM 351 CG ARG A 22 -4.827 7.764 -0.720 1.00 0.00 C ATOM 352 CD ARG A 22 -5.409 6.753 -1.693 1.00 0.00 C ATOM 353 NE ARG A 22 -4.448 5.699 -2.057 1.00 0.00 N ATOM 354 CZ ARG A 22 -4.731 4.659 -2.841 1.00 0.00 C ATOM 355 NH1 ARG A 22 -5.982 4.262 -3.014 1.00 0.00 N ATOM 356 NH2 ARG A 22 -3.759 3.913 -3.283 1.00 0.00 N ATOM 0 H ARG A 22 -5.140 9.521 1.409 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.278 7.415 2.371 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.946 6.213 0.432 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.426 6.863 1.107 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.538 8.576 -0.572 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.926 8.204 -1.148 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.294 6.296 -1.250 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.735 7.269 -2.596 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.501 5.769 -1.684 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.743 4.754 -2.545 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.185 3.465 -3.617 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.795 4.128 -3.028 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.962 3.114 -3.884 1.00 0.00 H new ATOM 370 N ALA A 23 -1.491 7.899 0.443 1.00 0.00 N ATOM 371 CA ALA A 23 -0.334 8.478 -0.285 1.00 0.00 C ATOM 372 C ALA A 23 0.388 7.458 -1.165 1.00 0.00 C ATOM 373 O ALA A 23 1.428 6.940 -0.789 1.00 0.00 O ATOM 374 CB ALA A 23 0.653 9.144 0.679 1.00 0.00 C ATOM 0 H ALA A 23 -1.423 6.900 0.638 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.746 9.238 -0.949 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.489 9.558 0.115 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.149 9.944 1.221 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.025 8.404 1.388 1.00 0.00 H new ATOM 380 N GLY A 24 -0.161 7.172 -2.334 1.00 0.00 N ATOM 381 CA GLY A 24 0.426 6.163 -3.186 1.00 0.00 C ATOM 382 C GLY A 24 1.080 6.657 -4.407 1.00 0.00 C ATOM 383 O GLY A 24 0.508 6.593 -5.494 1.00 0.00 O ATOM 0 H GLY A 24 -0.999 7.619 -2.707 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.160 5.605 -2.604 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.355 5.459 -3.474 1.00 0.00 H new ATOM 387 N PHE A 25 2.301 7.080 -4.259 1.00 0.00 N ATOM 388 CA PHE A 25 3.076 7.563 -5.374 1.00 0.00 C ATOM 389 C PHE A 25 3.471 6.395 -6.250 1.00 0.00 C ATOM 390 O PHE A 25 2.999 6.234 -7.358 1.00 0.00 O ATOM 391 CB PHE A 25 4.352 8.278 -4.898 1.00 0.00 C ATOM 392 CG PHE A 25 4.135 9.553 -4.141 1.00 0.00 C ATOM 393 CD1 PHE A 25 3.942 9.546 -2.767 1.00 0.00 C ATOM 394 CD2 PHE A 25 4.149 10.767 -4.804 1.00 0.00 C ATOM 395 CE1 PHE A 25 3.765 10.728 -2.076 1.00 0.00 C ATOM 396 CE2 PHE A 25 3.971 11.947 -4.119 1.00 0.00 C ATOM 397 CZ PHE A 25 3.780 11.930 -2.756 1.00 0.00 C ATOM 0 H PHE A 25 2.791 7.102 -3.365 1.00 0.00 H new ATOM 0 HA PHE A 25 2.465 8.273 -5.931 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.917 7.593 -4.266 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.972 8.494 -5.768 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.930 8.607 -2.233 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.302 10.789 -5.873 1.00 0.00 H new ATOM 0 HE1 PHE A 25 3.615 10.713 -1.007 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.981 12.887 -4.651 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.642 12.856 -2.218 1.00 0.00 H new ATOM 407 N ARG A 26 4.246 5.515 -5.690 1.00 0.00 N ATOM 408 CA ARG A 26 4.757 4.398 -6.440 1.00 0.00 C ATOM 409 C ARG A 26 3.801 3.255 -6.503 1.00 0.00 C ATOM 410 O ARG A 26 3.620 2.634 -7.553 1.00 0.00 O ATOM 411 CB ARG A 26 6.088 3.972 -5.909 1.00 0.00 C ATOM 412 CG ARG A 26 7.248 4.784 -6.404 1.00 0.00 C ATOM 413 CD ARG A 26 7.484 4.503 -7.876 1.00 0.00 C ATOM 414 NE ARG A 26 8.584 5.270 -8.455 1.00 0.00 N ATOM 415 CZ ARG A 26 8.905 5.239 -9.762 1.00 0.00 C ATOM 416 NH1 ARG A 26 8.238 4.432 -10.595 1.00 0.00 N ATOM 417 NH2 ARG A 26 9.885 6.009 -10.232 1.00 0.00 N ATOM 0 H ARG A 26 4.541 5.546 -4.714 1.00 0.00 H new ATOM 0 HA ARG A 26 4.887 4.737 -7.468 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.064 4.024 -4.821 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.253 2.928 -6.175 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.050 5.845 -6.255 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.143 4.543 -5.831 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.688 3.440 -8.005 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.571 4.722 -8.429 1.00 0.00 H new ATOM 0 HE ARG A 26 9.139 5.861 -7.836 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.487 3.841 -10.240 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.481 4.408 -11.585 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.396 6.626 -9.601 1.00 0.00 H new ATOM 0 HH22 ARG A 26 10.124 5.982 -11.223 1.00 0.00 H new ATOM 431 N GLU A 27 3.128 3.014 -5.411 1.00 0.00 N ATOM 432 CA GLU A 27 2.195 1.927 -5.359 1.00 0.00 C ATOM 433 C GLU A 27 0.914 2.185 -6.090 1.00 0.00 C ATOM 434 O GLU A 27 0.047 1.332 -6.101 1.00 0.00 O ATOM 435 CB GLU A 27 1.963 1.430 -3.990 1.00 0.00 C ATOM 436 CG GLU A 27 3.020 0.486 -3.572 1.00 0.00 C ATOM 437 CD GLU A 27 2.804 -0.030 -2.216 1.00 0.00 C ATOM 438 OE1 GLU A 27 2.055 -1.019 -2.089 1.00 0.00 O ATOM 439 OE2 GLU A 27 3.390 0.522 -1.286 1.00 0.00 O ATOM 0 H GLU A 27 3.209 3.554 -4.550 1.00 0.00 H new ATOM 0 HA GLU A 27 2.686 1.122 -5.906 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.929 2.271 -3.297 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.992 0.937 -3.940 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.057 -0.348 -4.273 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.988 0.985 -3.618 1.00 0.00 H new ATOM 446 N CYS A 28 0.776 3.376 -6.656 1.00 0.00 N ATOM 447 CA CYS A 28 -0.378 3.698 -7.500 1.00 0.00 C ATOM 448 C CYS A 28 -0.535 2.581 -8.580 1.00 0.00 C ATOM 449 O CYS A 28 -1.622 2.025 -8.794 1.00 0.00 O ATOM 450 CB CYS A 28 -0.142 5.055 -8.183 1.00 0.00 C ATOM 451 SG CYS A 28 -1.441 5.595 -9.318 1.00 0.00 S ATOM 0 H CYS A 28 1.446 4.138 -6.549 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.284 3.754 -6.896 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.021 5.814 -7.410 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.798 5.006 -8.732 1.00 0.00 H new ATOM 0 HG CYS A 28 -2.146 4.568 -9.690 1.00 0.00 H new ATOM 457 N ALA A 29 0.586 2.208 -9.184 1.00 0.00 N ATOM 458 CA ALA A 29 0.603 1.156 -10.177 1.00 0.00 C ATOM 459 C ALA A 29 0.347 -0.201 -9.526 1.00 0.00 C ATOM 460 O ALA A 29 -0.422 -1.020 -10.041 1.00 0.00 O ATOM 461 CB ALA A 29 1.922 1.169 -10.920 1.00 0.00 C ATOM 0 H ALA A 29 1.498 2.625 -8.998 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.197 1.333 -10.896 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.927 0.374 -11.666 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.052 2.132 -11.415 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.738 1.011 -10.215 1.00 0.00 H new ATOM 467 N ALA A 30 0.959 -0.400 -8.368 1.00 0.00 N ATOM 468 CA ALA A 30 0.861 -1.624 -7.594 1.00 0.00 C ATOM 469 C ALA A 30 -0.547 -1.946 -7.172 1.00 0.00 C ATOM 470 O ALA A 30 -0.974 -3.076 -7.292 1.00 0.00 O ATOM 471 CB ALA A 30 1.700 -1.506 -6.355 1.00 0.00 C ATOM 0 H ALA A 30 1.553 0.305 -7.931 1.00 0.00 H new ATOM 0 HA ALA A 30 1.212 -2.426 -8.243 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.625 -2.426 -5.776 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.740 -1.337 -6.635 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.345 -0.669 -5.754 1.00 0.00 H new ATOM 477 N MET A 31 -1.244 -0.959 -6.647 1.00 0.00 N ATOM 478 CA MET A 31 -2.616 -1.157 -6.140 1.00 0.00 C ATOM 479 C MET A 31 -3.531 -1.717 -7.221 1.00 0.00 C ATOM 480 O MET A 31 -4.353 -2.594 -6.948 1.00 0.00 O ATOM 481 CB MET A 31 -3.226 0.133 -5.550 1.00 0.00 C ATOM 482 CG MET A 31 -3.497 1.207 -6.581 1.00 0.00 C ATOM 483 SD MET A 31 -4.282 2.661 -5.924 1.00 0.00 S ATOM 484 CE MET A 31 -4.434 3.619 -7.430 1.00 0.00 C ATOM 0 H MET A 31 -0.896 -0.005 -6.553 1.00 0.00 H new ATOM 0 HA MET A 31 -2.536 -1.883 -5.331 1.00 0.00 H new ATOM 0 HB2 MET A 31 -4.159 -0.116 -5.044 1.00 0.00 H new ATOM 0 HB3 MET A 31 -2.549 0.531 -4.794 1.00 0.00 H new ATOM 0 HG2 MET A 31 -2.554 1.495 -7.047 1.00 0.00 H new ATOM 0 HG3 MET A 31 -4.127 0.791 -7.367 1.00 0.00 H new ATOM 0 HE1 MET A 31 -5.235 4.350 -7.317 1.00 0.00 H new ATOM 0 HE2 MET A 31 -3.496 4.137 -7.628 1.00 0.00 H new ATOM 0 HE3 MET A 31 -4.664 2.954 -8.263 1.00 0.00 H new ATOM 494 N ILE A 32 -3.350 -1.239 -8.450 1.00 0.00 N ATOM 495 CA ILE A 32 -4.145 -1.695 -9.585 1.00 0.00 C ATOM 496 C ILE A 32 -3.937 -3.200 -9.787 1.00 0.00 C ATOM 497 O ILE A 32 -4.880 -3.959 -10.041 1.00 0.00 O ATOM 498 CB ILE A 32 -3.738 -0.930 -10.877 1.00 0.00 C ATOM 499 CG1 ILE A 32 -3.922 0.593 -10.708 1.00 0.00 C ATOM 500 CG2 ILE A 32 -4.514 -1.431 -12.097 1.00 0.00 C ATOM 501 CD1 ILE A 32 -5.348 1.032 -10.424 1.00 0.00 C ATOM 0 H ILE A 32 -2.654 -0.531 -8.685 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.197 -1.497 -9.379 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.680 -1.130 -11.047 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -3.282 0.935 -9.894 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.577 1.090 -11.615 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.203 -0.873 -12.980 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.311 -2.491 -12.247 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.582 -1.286 -11.934 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.381 2.117 -10.320 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.994 0.726 -11.247 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.694 0.569 -9.500 1.00 0.00 H new ATOM 513 N GLU A 33 -2.714 -3.624 -9.602 1.00 0.00 N ATOM 514 CA GLU A 33 -2.339 -5.002 -9.768 1.00 0.00 C ATOM 515 C GLU A 33 -2.837 -5.813 -8.583 1.00 0.00 C ATOM 516 O GLU A 33 -3.418 -6.882 -8.737 1.00 0.00 O ATOM 517 CB GLU A 33 -0.825 -5.098 -9.856 1.00 0.00 C ATOM 518 CG GLU A 33 -0.213 -4.231 -10.931 1.00 0.00 C ATOM 519 CD GLU A 33 -0.720 -4.585 -12.292 1.00 0.00 C ATOM 520 OE1 GLU A 33 -0.159 -5.506 -12.915 1.00 0.00 O ATOM 521 OE2 GLU A 33 -1.688 -3.951 -12.761 1.00 0.00 O ATOM 0 H GLU A 33 -1.943 -3.015 -9.329 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.784 -5.397 -10.681 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.398 -4.820 -8.893 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.548 -6.136 -10.040 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.435 -3.184 -10.722 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.872 -4.338 -10.909 1.00 0.00 H new ATOM 528 N LYS A 34 -2.670 -5.244 -7.403 1.00 0.00 N ATOM 529 CA LYS A 34 -3.034 -5.873 -6.142 1.00 0.00 C ATOM 530 C LYS A 34 -4.513 -6.123 -6.028 1.00 0.00 C ATOM 531 O LYS A 34 -4.937 -6.974 -5.263 1.00 0.00 O ATOM 532 CB LYS A 34 -2.502 -5.047 -4.980 1.00 0.00 C ATOM 533 CG LYS A 34 -1.011 -5.212 -4.814 1.00 0.00 C ATOM 534 CD LYS A 34 -0.358 -4.080 -4.050 1.00 0.00 C ATOM 535 CE LYS A 34 1.144 -4.312 -3.975 1.00 0.00 C ATOM 536 NZ LYS A 34 1.845 -3.366 -3.085 1.00 0.00 N ATOM 0 H LYS A 34 -2.270 -4.313 -7.290 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.567 -6.857 -6.109 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -2.736 -3.995 -5.144 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.006 -5.346 -4.061 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.813 -6.151 -4.296 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.550 -5.288 -5.799 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.565 -3.129 -4.542 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.777 -4.017 -3.046 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.329 -5.329 -3.629 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.565 -4.235 -4.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.791 -3.164 -3.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.301 -2.482 -3.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.938 -3.784 -2.137 1.00 0.00 H new ATOM 550 N LYS A 35 -5.283 -5.411 -6.823 1.00 0.00 N ATOM 551 CA LYS A 35 -6.711 -5.579 -6.851 1.00 0.00 C ATOM 552 C LYS A 35 -7.074 -6.957 -7.420 1.00 0.00 C ATOM 553 O LYS A 35 -8.124 -7.522 -7.102 1.00 0.00 O ATOM 554 CB LYS A 35 -7.348 -4.525 -7.747 1.00 0.00 C ATOM 555 CG LYS A 35 -8.846 -4.678 -7.825 1.00 0.00 C ATOM 556 CD LYS A 35 -9.428 -4.025 -9.038 1.00 0.00 C ATOM 557 CE LYS A 35 -10.900 -4.360 -9.144 1.00 0.00 C ATOM 558 NZ LYS A 35 -11.160 -5.826 -9.174 1.00 0.00 N ATOM 0 H LYS A 35 -4.932 -4.701 -7.466 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.079 -5.482 -5.829 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.105 -3.532 -7.368 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.924 -4.597 -8.749 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -9.099 -5.738 -7.831 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.299 -4.247 -6.932 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.295 -2.945 -8.980 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.903 -4.363 -9.932 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -11.429 -3.919 -8.299 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -11.307 -3.905 -10.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -12.072 -6.007 -9.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.401 -6.302 -9.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.188 -6.194 -8.202 1.00 0.00 H new ATOM 572 N ALA A 36 -6.202 -7.499 -8.246 1.00 0.00 N ATOM 573 CA ALA A 36 -6.470 -8.753 -8.889 1.00 0.00 C ATOM 574 C ALA A 36 -6.500 -9.884 -7.877 1.00 0.00 C ATOM 575 O ALA A 36 -7.499 -10.597 -7.766 1.00 0.00 O ATOM 576 CB ALA A 36 -5.465 -9.033 -9.995 1.00 0.00 C ATOM 0 H ALA A 36 -5.301 -7.083 -8.483 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.455 -8.687 -9.350 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.696 -9.990 -10.462 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.517 -8.242 -10.743 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.460 -9.068 -9.574 1.00 0.00 H new ATOM 582 N ARG A 37 -5.453 -9.993 -7.094 1.00 0.00 N ATOM 583 CA ARG A 37 -5.339 -11.059 -6.113 1.00 0.00 C ATOM 584 C ARG A 37 -4.290 -10.710 -5.091 1.00 0.00 C ATOM 585 O ARG A 37 -4.586 -10.420 -3.951 1.00 0.00 O ATOM 586 CB ARG A 37 -4.948 -12.367 -6.799 1.00 0.00 C ATOM 587 CG ARG A 37 -4.707 -13.537 -5.857 1.00 0.00 C ATOM 588 CD ARG A 37 -4.222 -14.762 -6.612 1.00 0.00 C ATOM 589 NE ARG A 37 -3.053 -14.466 -7.480 1.00 0.00 N ATOM 590 CZ ARG A 37 -1.789 -14.880 -7.270 1.00 0.00 C ATOM 591 NH1 ARG A 37 -1.439 -15.422 -6.105 1.00 0.00 N ATOM 592 NH2 ARG A 37 -0.875 -14.706 -8.223 1.00 0.00 N ATOM 0 H ARG A 37 -4.659 -9.353 -7.114 1.00 0.00 H new ATOM 0 HA ARG A 37 -6.304 -11.180 -5.621 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.735 -12.641 -7.502 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -4.044 -12.198 -7.383 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.970 -13.255 -5.105 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.629 -13.775 -5.326 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.954 -15.542 -5.899 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -5.035 -15.154 -7.223 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.223 -13.898 -8.310 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.131 -15.526 -5.363 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.479 -15.733 -5.955 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -1.135 -14.262 -9.104 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.085 -15.017 -8.072 1.00 0.00 H new ATOM 606 N ARG A 38 -3.068 -10.745 -5.537 1.00 0.00 N ATOM 607 CA ARG A 38 -1.910 -10.478 -4.742 1.00 0.00 C ATOM 608 C ARG A 38 -0.784 -10.218 -5.692 1.00 0.00 C ATOM 609 O ARG A 38 -0.450 -11.093 -6.487 1.00 0.00 O ATOM 610 CB ARG A 38 -1.547 -11.691 -3.877 1.00 0.00 C ATOM 611 CG ARG A 38 -0.152 -11.613 -3.284 1.00 0.00 C ATOM 612 CD ARG A 38 0.287 -12.930 -2.678 1.00 0.00 C ATOM 613 NE ARG A 38 1.742 -12.951 -2.489 1.00 0.00 N ATOM 614 CZ ARG A 38 2.416 -13.748 -1.662 1.00 0.00 C ATOM 615 NH1 ARG A 38 1.774 -14.613 -0.892 1.00 0.00 N ATOM 616 NH2 ARG A 38 3.742 -13.686 -1.628 1.00 0.00 N ATOM 0 H ARG A 38 -2.844 -10.970 -6.506 1.00 0.00 H new ATOM 0 HA ARG A 38 -2.099 -9.631 -4.082 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.273 -11.782 -3.069 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.627 -12.595 -4.480 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.555 -11.319 -4.060 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.127 -10.837 -2.519 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.212 -13.080 -1.721 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.013 -13.753 -3.327 1.00 0.00 H new ATOM 0 HE ARG A 38 2.289 -12.293 -3.044 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.756 -14.672 -0.930 1.00 0.00 H new ATOM 0 HH12 ARG A 38 2.297 -15.220 -0.261 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.238 -13.031 -2.233 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.265 -14.293 -0.997 1.00 0.00 H new ATOM 630 N VAL A 39 -0.227 -9.047 -5.665 1.00 0.00 N ATOM 631 CA VAL A 39 0.845 -8.742 -6.583 1.00 0.00 C ATOM 632 C VAL A 39 1.961 -7.991 -5.872 1.00 0.00 C ATOM 633 O VAL A 39 1.702 -7.209 -4.938 1.00 0.00 O ATOM 634 CB VAL A 39 0.347 -7.902 -7.814 1.00 0.00 C ATOM 635 CG1 VAL A 39 1.481 -7.631 -8.798 1.00 0.00 C ATOM 636 CG2 VAL A 39 -0.785 -8.609 -8.542 1.00 0.00 C ATOM 0 H VAL A 39 -0.486 -8.292 -5.030 1.00 0.00 H new ATOM 0 HA VAL A 39 1.225 -9.694 -6.955 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.017 -6.953 -7.421 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.103 -7.048 -9.638 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.272 -7.074 -8.297 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.879 -8.577 -9.164 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.108 -8.003 -9.389 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.438 -9.578 -8.901 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.622 -8.754 -7.859 1.00 0.00 H new ATOM 646 N VAL A 40 3.178 -8.276 -6.268 1.00 0.00 N ATOM 647 CA VAL A 40 4.340 -7.604 -5.763 1.00 0.00 C ATOM 648 C VAL A 40 4.703 -6.508 -6.765 1.00 0.00 C ATOM 649 O VAL A 40 4.494 -6.669 -7.979 1.00 0.00 O ATOM 650 CB VAL A 40 5.545 -8.584 -5.549 1.00 0.00 C ATOM 651 CG1 VAL A 40 5.935 -9.294 -6.831 1.00 0.00 C ATOM 652 CG2 VAL A 40 6.750 -7.862 -4.958 1.00 0.00 C ATOM 0 H VAL A 40 3.387 -8.994 -6.962 1.00 0.00 H new ATOM 0 HA VAL A 40 4.120 -7.180 -4.783 1.00 0.00 H new ATOM 0 HB VAL A 40 5.211 -9.339 -4.838 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.774 -9.963 -6.636 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.088 -9.873 -7.199 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.225 -8.558 -7.581 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.568 -8.570 -4.822 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.066 -7.068 -5.634 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.479 -7.431 -3.994 1.00 0.00 H new ATOM 662 N HIS A 41 5.203 -5.410 -6.290 1.00 0.00 N ATOM 663 CA HIS A 41 5.527 -4.330 -7.143 1.00 0.00 C ATOM 664 C HIS A 41 6.818 -3.781 -6.667 1.00 0.00 C ATOM 665 O HIS A 41 6.956 -3.448 -5.474 1.00 0.00 O ATOM 666 CB HIS A 41 4.414 -3.272 -7.094 1.00 0.00 C ATOM 667 CG HIS A 41 4.534 -2.111 -8.073 1.00 0.00 C ATOM 668 ND1 HIS A 41 4.210 -2.197 -9.409 1.00 0.00 N ATOM 669 CD2 HIS A 41 4.909 -0.816 -7.871 1.00 0.00 C ATOM 670 CE1 HIS A 41 4.404 -1.008 -9.963 1.00 0.00 C ATOM 671 NE2 HIS A 41 4.826 -0.129 -9.073 1.00 0.00 N ATOM 0 H HIS A 41 5.394 -5.246 -5.302 1.00 0.00 H new ATOM 0 HA HIS A 41 5.616 -4.650 -8.181 1.00 0.00 H new ATOM 0 HB2 HIS A 41 3.461 -3.771 -7.272 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.376 -2.864 -6.084 1.00 0.00 H new ATOM 0 HD2 HIS A 41 5.220 -0.393 -6.927 1.00 0.00 H new ATOM 0 HE1 HIS A 41 4.238 -0.787 -11.007 1.00 0.00 H new ATOM 0 HE2 HIS A 41 5.046 0.854 -9.236 1.00 0.00 H new ATOM 679 N ILE A 42 7.772 -3.782 -7.536 1.00 0.00 N ATOM 680 CA ILE A 42 9.049 -3.245 -7.244 1.00 0.00 C ATOM 681 C ILE A 42 8.932 -1.748 -7.380 1.00 0.00 C ATOM 682 O ILE A 42 8.248 -1.264 -8.298 1.00 0.00 O ATOM 683 CB ILE A 42 10.147 -3.851 -8.157 1.00 0.00 C ATOM 684 CG1 ILE A 42 10.256 -5.364 -7.885 1.00 0.00 C ATOM 685 CG2 ILE A 42 11.500 -3.166 -7.950 1.00 0.00 C ATOM 686 CD1 ILE A 42 11.310 -6.075 -8.703 1.00 0.00 C ATOM 0 H ILE A 42 7.681 -4.161 -8.479 1.00 0.00 H new ATOM 0 HA ILE A 42 9.360 -3.500 -6.231 1.00 0.00 H new ATOM 0 HB ILE A 42 9.862 -3.685 -9.196 1.00 0.00 H new ATOM 0 HG12 ILE A 42 10.472 -5.515 -6.827 1.00 0.00 H new ATOM 0 HG13 ILE A 42 9.289 -5.826 -8.082 1.00 0.00 H new ATOM 0 HG21 ILE A 42 12.242 -3.619 -8.608 1.00 0.00 H new ATOM 0 HG22 ILE A 42 11.410 -2.105 -8.182 1.00 0.00 H new ATOM 0 HG23 ILE A 42 11.813 -3.285 -6.913 1.00 0.00 H new ATOM 0 HD11 ILE A 42 11.316 -7.134 -8.446 1.00 0.00 H new ATOM 0 HD12 ILE A 42 11.086 -5.960 -9.764 1.00 0.00 H new ATOM 0 HD13 ILE A 42 12.288 -5.644 -8.489 1.00 0.00 H new ATOM 698 N LYS A 43 9.546 -1.041 -6.445 1.00 0.00 N ATOM 699 CA LYS A 43 9.488 0.419 -6.337 1.00 0.00 C ATOM 700 C LYS A 43 8.118 0.830 -5.790 1.00 0.00 C ATOM 701 O LYS A 43 7.292 1.341 -6.526 1.00 0.00 O ATOM 702 CB LYS A 43 9.764 1.168 -7.671 1.00 0.00 C ATOM 703 CG LYS A 43 11.140 0.979 -8.262 1.00 0.00 C ATOM 704 CD LYS A 43 11.216 1.601 -9.648 1.00 0.00 C ATOM 705 CE LYS A 43 12.611 1.494 -10.233 1.00 0.00 C ATOM 706 NZ LYS A 43 13.577 2.345 -9.518 1.00 0.00 N ATOM 0 H LYS A 43 10.116 -1.473 -5.717 1.00 0.00 H new ATOM 0 HA LYS A 43 10.289 0.710 -5.658 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.027 0.844 -8.406 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.604 2.234 -7.507 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.887 1.434 -7.612 1.00 0.00 H new ATOM 0 HG3 LYS A 43 11.374 -0.084 -8.321 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.505 1.106 -10.309 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.923 2.650 -9.593 1.00 0.00 H new ATOM 0 HE2 LYS A 43 12.942 0.456 -10.192 1.00 0.00 H new ATOM 0 HE3 LYS A 43 12.586 1.779 -11.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 14.466 2.388 -10.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 13.187 3.304 -9.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 13.762 1.945 -8.576 1.00 0.00 H new ATOM 720 N PRO A 44 7.802 0.473 -4.523 1.00 0.00 N ATOM 721 CA PRO A 44 6.557 0.868 -3.897 1.00 0.00 C ATOM 722 C PRO A 44 6.679 2.229 -3.195 1.00 0.00 C ATOM 723 O PRO A 44 7.787 2.738 -2.997 1.00 0.00 O ATOM 724 CB PRO A 44 6.345 -0.232 -2.878 1.00 0.00 C ATOM 725 CG PRO A 44 7.716 -0.559 -2.427 1.00 0.00 C ATOM 726 CD PRO A 44 8.572 -0.427 -3.644 1.00 0.00 C ATOM 0 HA PRO A 44 5.741 0.984 -4.610 1.00 0.00 H new ATOM 0 HB2 PRO A 44 5.720 0.104 -2.050 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.851 -1.098 -3.320 1.00 0.00 H new ATOM 0 HG2 PRO A 44 8.044 0.120 -1.640 1.00 0.00 H new ATOM 0 HG3 PRO A 44 7.766 -1.568 -2.018 1.00 0.00 H new ATOM 0 HD2 PRO A 44 9.549 -0.009 -3.402 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.747 -1.394 -4.116 1.00 0.00 H new ATOM 734 N GLY A 45 5.555 2.821 -2.835 1.00 0.00 N ATOM 735 CA GLY A 45 5.585 4.090 -2.172 1.00 0.00 C ATOM 736 C GLY A 45 4.204 4.582 -1.847 1.00 0.00 C ATOM 737 O GLY A 45 3.794 5.629 -2.342 1.00 0.00 O ATOM 0 H GLY A 45 4.623 2.439 -2.993 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.167 4.007 -1.254 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.091 4.819 -2.805 1.00 0.00 H new ATOM 741 N GLU A 46 3.465 3.767 -1.137 1.00 0.00 N ATOM 742 CA GLU A 46 2.136 4.096 -0.661 1.00 0.00 C ATOM 743 C GLU A 46 2.085 3.984 0.856 1.00 0.00 C ATOM 744 O GLU A 46 2.778 3.160 1.462 1.00 0.00 O ATOM 745 CB GLU A 46 1.093 3.190 -1.335 1.00 0.00 C ATOM 746 CG GLU A 46 -0.317 3.141 -0.724 1.00 0.00 C ATOM 747 CD GLU A 46 -1.105 4.419 -0.881 1.00 0.00 C ATOM 748 OE1 GLU A 46 -1.687 4.625 -1.957 1.00 0.00 O ATOM 749 OE2 GLU A 46 -1.165 5.223 0.064 1.00 0.00 O ATOM 0 H GLU A 46 3.774 2.834 -0.865 1.00 0.00 H new ATOM 0 HA GLU A 46 1.899 5.126 -0.927 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.997 3.506 -2.374 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.489 2.174 -1.346 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.873 2.326 -1.187 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.233 2.907 0.337 1.00 0.00 H new ATOM 756 N LYS A 47 1.317 4.845 1.439 1.00 0.00 N ATOM 757 CA LYS A 47 1.074 4.898 2.838 1.00 0.00 C ATOM 758 C LYS A 47 -0.375 5.217 3.035 1.00 0.00 C ATOM 759 O LYS A 47 -0.764 6.380 3.192 1.00 0.00 O ATOM 760 CB LYS A 47 1.957 5.931 3.546 1.00 0.00 C ATOM 761 CG LYS A 47 3.417 5.531 3.773 1.00 0.00 C ATOM 762 CD LYS A 47 3.636 4.713 5.068 1.00 0.00 C ATOM 763 CE LYS A 47 2.983 3.332 5.053 1.00 0.00 C ATOM 764 NZ LYS A 47 3.319 2.552 6.271 1.00 0.00 N ATOM 0 H LYS A 47 0.817 5.568 0.922 1.00 0.00 H new ATOM 0 HA LYS A 47 1.324 3.934 3.281 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.941 6.852 2.963 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.510 6.158 4.514 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.763 4.947 2.920 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.031 6.431 3.812 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.707 4.595 5.233 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.244 5.279 5.913 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.901 3.442 4.978 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.310 2.785 4.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.858 1.621 6.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.350 2.426 6.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.985 3.062 7.113 1.00 0.00 H new ATOM 778 N ILE A 48 -1.189 4.200 2.924 1.00 0.00 N ATOM 779 CA ILE A 48 -2.590 4.373 3.064 1.00 0.00 C ATOM 780 C ILE A 48 -2.942 4.642 4.501 1.00 0.00 C ATOM 781 O ILE A 48 -2.805 3.774 5.365 1.00 0.00 O ATOM 782 CB ILE A 48 -3.455 3.181 2.534 1.00 0.00 C ATOM 783 CG1 ILE A 48 -3.001 1.824 3.110 1.00 0.00 C ATOM 784 CG2 ILE A 48 -3.528 3.154 1.019 1.00 0.00 C ATOM 785 CD1 ILE A 48 -3.891 0.658 2.734 1.00 0.00 C ATOM 0 H ILE A 48 -0.892 3.242 2.736 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.834 5.229 2.435 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.468 3.353 2.898 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.987 1.618 2.767 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.960 1.899 4.197 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.139 2.310 0.699 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.974 4.081 0.660 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.524 3.052 0.608 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.500 -0.257 3.180 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.901 0.838 3.102 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.913 0.552 1.649 1.00 0.00 H new ATOM 797 N LEU A 49 -3.249 5.891 4.760 1.00 0.00 N ATOM 798 CA LEU A 49 -3.717 6.439 6.055 1.00 0.00 C ATOM 799 C LEU A 49 -2.652 6.433 7.155 1.00 0.00 C ATOM 800 O LEU A 49 -2.749 7.165 8.137 1.00 0.00 O ATOM 801 CB LEU A 49 -4.986 5.717 6.605 1.00 0.00 C ATOM 802 CG LEU A 49 -6.150 5.374 5.645 1.00 0.00 C ATOM 803 CD1 LEU A 49 -6.301 6.340 4.510 1.00 0.00 C ATOM 804 CD2 LEU A 49 -6.121 3.926 5.177 1.00 0.00 C ATOM 0 H LEU A 49 -3.182 6.613 4.042 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.962 7.473 5.811 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.657 4.785 7.064 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.394 6.338 7.402 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.053 5.488 6.244 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.137 6.034 3.881 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.490 7.338 4.905 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.386 6.352 3.918 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.961 3.743 4.506 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.187 3.733 4.650 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.195 3.263 6.039 1.00 0.00 H new ATOM 816 N GLY A 50 -1.701 5.579 7.009 1.00 0.00 N ATOM 817 CA GLY A 50 -0.669 5.389 7.982 1.00 0.00 C ATOM 818 C GLY A 50 -0.997 4.133 8.757 1.00 0.00 C ATOM 819 O GLY A 50 -0.118 3.367 9.164 1.00 0.00 O ATOM 0 H GLY A 50 -1.612 4.975 6.192 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.303 5.297 7.497 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.611 6.248 8.651 1.00 0.00 H new ATOM 823 N ALA A 51 -2.285 3.880 8.868 1.00 0.00 N ATOM 824 CA ALA A 51 -2.810 2.740 9.516 1.00 0.00 C ATOM 825 C ALA A 51 -3.652 2.066 8.487 1.00 0.00 C ATOM 826 O ALA A 51 -4.303 2.741 7.709 1.00 0.00 O ATOM 827 CB ALA A 51 -3.644 3.150 10.710 1.00 0.00 C ATOM 0 H ALA A 51 -3.004 4.497 8.489 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.028 2.082 9.894 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.042 2.261 11.199 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.023 3.704 11.414 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -4.469 3.781 10.378 1.00 0.00 H new ATOM 833 N ARG A 52 -3.670 0.778 8.457 1.00 0.00 N ATOM 834 CA ARG A 52 -4.418 0.129 7.415 1.00 0.00 C ATOM 835 C ARG A 52 -5.810 -0.280 7.841 1.00 0.00 C ATOM 836 O ARG A 52 -6.015 -1.309 8.507 1.00 0.00 O ATOM 837 CB ARG A 52 -3.636 -1.004 6.714 1.00 0.00 C ATOM 838 CG ARG A 52 -3.024 -2.050 7.632 1.00 0.00 C ATOM 839 CD ARG A 52 -1.499 -2.014 7.589 1.00 0.00 C ATOM 840 NE ARG A 52 -0.931 -0.736 8.061 1.00 0.00 N ATOM 841 CZ ARG A 52 0.382 -0.477 8.164 1.00 0.00 C ATOM 842 NH1 ARG A 52 1.277 -1.372 7.744 1.00 0.00 N ATOM 843 NH2 ARG A 52 0.796 0.690 8.681 1.00 0.00 N ATOM 0 H ARG A 52 -3.194 0.161 9.116 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.564 0.892 6.651 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.307 -1.507 6.018 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.838 -0.557 6.121 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.364 -1.881 8.654 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.373 -3.040 7.340 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.106 -2.826 8.201 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.167 -2.196 6.567 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.582 0.002 8.328 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.964 -2.256 7.343 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.274 -1.172 7.824 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.113 1.379 8.995 1.00 0.00 H new ATOM 0 HH22 ARG A 52 1.794 0.888 8.760 1.00 0.00 H new ATOM 857 N ILE A 53 -6.760 0.553 7.500 1.00 0.00 N ATOM 858 CA ILE A 53 -8.131 0.287 7.774 1.00 0.00 C ATOM 859 C ILE A 53 -8.743 0.019 6.436 1.00 0.00 C ATOM 860 O ILE A 53 -8.679 0.860 5.582 1.00 0.00 O ATOM 861 CB ILE A 53 -8.874 1.481 8.467 1.00 0.00 C ATOM 862 CG1 ILE A 53 -8.355 1.760 9.895 1.00 0.00 C ATOM 863 CG2 ILE A 53 -10.381 1.232 8.518 1.00 0.00 C ATOM 864 CD1 ILE A 53 -7.025 2.465 9.970 1.00 0.00 C ATOM 0 H ILE A 53 -6.593 1.438 7.022 1.00 0.00 H new ATOM 0 HA ILE A 53 -8.218 -0.546 8.472 1.00 0.00 H new ATOM 0 HB ILE A 53 -8.666 2.360 7.857 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -9.096 2.360 10.423 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -8.276 0.812 10.427 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -10.873 2.075 9.003 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -10.766 1.122 7.504 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -10.580 0.321 9.083 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -6.750 2.614 11.014 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.264 1.860 9.477 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.097 3.432 9.473 1.00 0.00 H new ATOM 876 N ILE A 54 -9.252 -1.158 6.239 1.00 0.00 N ATOM 877 CA ILE A 54 -9.814 -1.533 4.958 1.00 0.00 C ATOM 878 C ILE A 54 -11.272 -1.116 4.850 1.00 0.00 C ATOM 879 O ILE A 54 -11.721 -0.657 3.806 1.00 0.00 O ATOM 880 CB ILE A 54 -9.618 -3.080 4.675 1.00 0.00 C ATOM 881 CG1 ILE A 54 -8.155 -3.415 4.278 1.00 0.00 C ATOM 882 CG2 ILE A 54 -10.577 -3.613 3.617 1.00 0.00 C ATOM 883 CD1 ILE A 54 -7.098 -3.124 5.322 1.00 0.00 C ATOM 0 H ILE A 54 -9.294 -1.888 6.950 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.269 -0.993 4.184 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.849 -3.581 5.615 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.103 -4.473 4.023 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -7.908 -2.857 3.375 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -10.396 -4.677 3.465 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -11.604 -3.463 3.949 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -10.417 -3.080 2.680 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.117 -3.398 4.933 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.109 -2.061 5.564 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.306 -3.703 6.222 1.00 0.00 H new ATOM 895 N GLY A 55 -11.986 -1.235 5.939 1.00 0.00 N ATOM 896 CA GLY A 55 -13.396 -0.918 5.938 1.00 0.00 C ATOM 897 C GLY A 55 -14.223 -2.154 5.666 1.00 0.00 C ATOM 898 O GLY A 55 -15.459 -2.113 5.637 1.00 0.00 O ATOM 0 H GLY A 55 -11.618 -1.548 6.837 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.678 -0.491 6.900 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -13.603 -0.162 5.180 1.00 0.00 H new ATOM 902 N ILE A 56 -13.534 -3.252 5.466 1.00 0.00 N ATOM 903 CA ILE A 56 -14.116 -4.547 5.196 1.00 0.00 C ATOM 904 C ILE A 56 -13.300 -5.527 6.015 1.00 0.00 C ATOM 905 O ILE A 56 -12.084 -5.439 5.964 1.00 0.00 O ATOM 906 CB ILE A 56 -13.986 -4.927 3.672 1.00 0.00 C ATOM 907 CG1 ILE A 56 -14.658 -3.869 2.776 1.00 0.00 C ATOM 908 CG2 ILE A 56 -14.588 -6.301 3.403 1.00 0.00 C ATOM 909 CD1 ILE A 56 -14.521 -4.126 1.286 1.00 0.00 C ATOM 0 H ILE A 56 -12.514 -3.270 5.487 1.00 0.00 H new ATOM 0 HA ILE A 56 -15.177 -4.556 5.445 1.00 0.00 H new ATOM 0 HB ILE A 56 -12.924 -4.958 3.429 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -15.717 -3.819 3.027 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -14.230 -2.893 3.004 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -14.487 -6.542 2.345 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -14.065 -7.050 3.997 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -15.644 -6.295 3.674 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -15.023 -3.333 0.732 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -13.465 -4.145 1.016 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -14.976 -5.085 1.039 1.00 0.00 H new ATOM 921 N PRO A 57 -13.939 -6.428 6.808 1.00 0.00 N ATOM 922 CA PRO A 57 -13.229 -7.396 7.679 1.00 0.00 C ATOM 923 C PRO A 57 -12.200 -8.242 6.917 1.00 0.00 C ATOM 924 O PRO A 57 -12.574 -9.087 6.087 1.00 0.00 O ATOM 925 CB PRO A 57 -14.353 -8.295 8.194 1.00 0.00 C ATOM 926 CG PRO A 57 -15.569 -7.451 8.131 1.00 0.00 C ATOM 927 CD PRO A 57 -15.400 -6.581 6.922 1.00 0.00 C ATOM 0 HA PRO A 57 -12.662 -6.888 8.459 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -14.459 -9.188 7.579 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -14.156 -8.631 9.212 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -16.467 -8.064 8.049 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -15.675 -6.850 9.034 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -15.825 -7.044 6.032 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -15.896 -5.618 7.048 1.00 0.00 H new ATOM 935 N PRO A 58 -10.900 -7.982 7.120 1.00 0.00 N ATOM 936 CA PRO A 58 -9.840 -8.698 6.465 1.00 0.00 C ATOM 937 C PRO A 58 -8.989 -9.522 7.445 1.00 0.00 C ATOM 938 O PRO A 58 -9.348 -9.712 8.620 1.00 0.00 O ATOM 939 CB PRO A 58 -9.017 -7.515 5.974 1.00 0.00 C ATOM 940 CG PRO A 58 -9.099 -6.510 7.110 1.00 0.00 C ATOM 941 CD PRO A 58 -10.333 -6.879 7.923 1.00 0.00 C ATOM 0 HA PRO A 58 -10.185 -9.414 5.719 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.986 -7.804 5.771 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.421 -7.105 5.049 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.202 -6.548 7.728 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.178 -5.494 6.724 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.077 -7.197 8.934 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -11.026 -6.043 8.018 1.00 0.00 H new ATOM 949 N VAL A 59 -7.892 -10.030 6.951 1.00 0.00 N ATOM 950 CA VAL A 59 -6.949 -10.750 7.766 1.00 0.00 C ATOM 951 C VAL A 59 -5.676 -9.911 7.790 1.00 0.00 C ATOM 952 O VAL A 59 -5.036 -9.766 6.752 1.00 0.00 O ATOM 953 CB VAL A 59 -6.620 -12.164 7.198 1.00 0.00 C ATOM 954 CG1 VAL A 59 -5.708 -12.932 8.148 1.00 0.00 C ATOM 955 CG2 VAL A 59 -7.891 -12.957 6.920 1.00 0.00 C ATOM 0 H VAL A 59 -7.626 -9.956 5.969 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.373 -10.906 8.758 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.095 -12.026 6.253 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.493 -13.915 7.730 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.776 -12.382 8.282 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.202 -13.048 9.113 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -7.628 -13.938 6.525 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.455 -13.077 7.845 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -8.501 -12.423 6.191 1.00 0.00 H new ATOM 965 N PRO A 60 -5.357 -9.265 8.928 1.00 0.00 N ATOM 966 CA PRO A 60 -4.151 -8.421 9.070 1.00 0.00 C ATOM 967 C PRO A 60 -2.886 -9.208 8.863 1.00 0.00 C ATOM 968 O PRO A 60 -2.608 -10.154 9.611 1.00 0.00 O ATOM 969 CB PRO A 60 -4.220 -7.935 10.522 1.00 0.00 C ATOM 970 CG PRO A 60 -5.646 -8.078 10.897 1.00 0.00 C ATOM 971 CD PRO A 60 -6.134 -9.291 10.172 1.00 0.00 C ATOM 0 HA PRO A 60 -4.131 -7.618 8.333 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.578 -8.531 11.170 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.889 -6.900 10.610 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.758 -8.195 11.975 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.217 -7.195 10.611 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -5.953 -10.202 10.742 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -7.206 -9.243 9.980 1.00 0.00 H new ATOM 979 N ILE A 61 -2.118 -8.844 7.864 1.00 0.00 N ATOM 980 CA ILE A 61 -0.903 -9.546 7.588 1.00 0.00 C ATOM 981 C ILE A 61 0.201 -8.548 7.491 1.00 0.00 C ATOM 982 O ILE A 61 0.311 -7.848 6.504 1.00 0.00 O ATOM 983 CB ILE A 61 -0.973 -10.397 6.274 1.00 0.00 C ATOM 984 CG1 ILE A 61 -2.089 -11.454 6.356 1.00 0.00 C ATOM 985 CG2 ILE A 61 0.374 -11.073 5.980 1.00 0.00 C ATOM 986 CD1 ILE A 61 -1.898 -12.500 7.444 1.00 0.00 C ATOM 0 H ILE A 61 -2.318 -8.067 7.234 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.727 -10.251 8.400 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.203 -9.715 5.456 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.039 -10.947 6.522 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.162 -11.960 5.394 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.296 -11.657 5.063 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.145 -10.312 5.861 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.639 -11.731 6.807 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.732 -13.201 7.425 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.967 -13.039 7.271 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.858 -12.010 8.417 1.00 0.00 H new ATOM 998 N GLY A 62 0.954 -8.443 8.541 1.00 0.00 N ATOM 999 CA GLY A 62 2.069 -7.556 8.570 1.00 0.00 C ATOM 1000 C GLY A 62 3.331 -8.340 8.770 1.00 0.00 C ATOM 1001 O GLY A 62 3.815 -8.489 9.893 1.00 0.00 O ATOM 0 H GLY A 62 0.811 -8.971 9.402 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.123 -6.993 7.638 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.948 -6.830 9.374 1.00 0.00 H new ATOM 1005 N ILE A 63 3.811 -8.888 7.697 1.00 0.00 N ATOM 1006 CA ILE A 63 4.995 -9.723 7.674 1.00 0.00 C ATOM 1007 C ILE A 63 6.009 -9.080 6.746 1.00 0.00 C ATOM 1008 O ILE A 63 5.785 -8.989 5.528 1.00 0.00 O ATOM 1009 CB ILE A 63 4.662 -11.163 7.152 1.00 0.00 C ATOM 1010 CG1 ILE A 63 3.608 -11.864 8.041 1.00 0.00 C ATOM 1011 CG2 ILE A 63 5.925 -12.021 7.026 1.00 0.00 C ATOM 1012 CD1 ILE A 63 4.036 -12.089 9.483 1.00 0.00 C ATOM 0 H ILE A 63 3.384 -8.769 6.779 1.00 0.00 H new ATOM 0 HA ILE A 63 5.389 -9.812 8.686 1.00 0.00 H new ATOM 0 HB ILE A 63 4.233 -11.049 6.156 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.696 -11.268 8.037 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.361 -12.828 7.596 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.656 -13.013 6.662 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.615 -11.552 6.325 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.403 -12.110 8.001 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.233 -12.586 10.028 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.929 -12.714 9.504 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.253 -11.129 9.952 1.00 0.00 H new ATOM 1024 N ASP A 64 7.096 -8.619 7.296 1.00 0.00 N ATOM 1025 CA ASP A 64 8.102 -7.949 6.503 1.00 0.00 C ATOM 1026 C ASP A 64 9.474 -8.551 6.668 1.00 0.00 C ATOM 1027 O ASP A 64 9.952 -8.750 7.781 1.00 0.00 O ATOM 1028 CB ASP A 64 8.131 -6.427 6.763 1.00 0.00 C ATOM 1029 CG ASP A 64 8.386 -6.017 8.200 1.00 0.00 C ATOM 1030 OD1 ASP A 64 7.414 -5.902 8.977 1.00 0.00 O ATOM 1031 OD2 ASP A 64 9.545 -5.728 8.559 1.00 0.00 O ATOM 0 H ASP A 64 7.314 -8.692 8.290 1.00 0.00 H new ATOM 0 HA ASP A 64 7.809 -8.103 5.464 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.903 -5.983 6.134 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.178 -6.003 6.446 1.00 0.00 H new ATOM 1036 N GLU A 65 10.092 -8.888 5.552 1.00 0.00 N ATOM 1037 CA GLU A 65 11.443 -9.427 5.570 1.00 0.00 C ATOM 1038 C GLU A 65 12.445 -8.296 5.641 1.00 0.00 C ATOM 1039 O GLU A 65 13.344 -8.298 6.476 1.00 0.00 O ATOM 1040 CB GLU A 65 11.702 -10.325 4.358 1.00 0.00 C ATOM 1041 CG GLU A 65 10.928 -11.627 4.405 1.00 0.00 C ATOM 1042 CD GLU A 65 11.168 -12.520 3.214 1.00 0.00 C ATOM 1043 OE1 GLU A 65 12.336 -12.856 2.918 1.00 0.00 O ATOM 1044 OE2 GLU A 65 10.190 -12.928 2.565 1.00 0.00 O ATOM 0 H GLU A 65 9.683 -8.799 4.622 1.00 0.00 H new ATOM 0 HA GLU A 65 11.557 -10.050 6.457 1.00 0.00 H new ATOM 0 HB2 GLU A 65 11.436 -9.784 3.450 1.00 0.00 H new ATOM 0 HB3 GLU A 65 12.768 -10.545 4.298 1.00 0.00 H new ATOM 0 HG2 GLU A 65 11.198 -12.167 5.313 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.863 -11.404 4.472 1.00 0.00 H new ATOM 1051 N GLU A 66 12.252 -7.321 4.790 1.00 0.00 N ATOM 1052 CA GLU A 66 13.070 -6.136 4.730 1.00 0.00 C ATOM 1053 C GLU A 66 12.351 -5.195 3.795 1.00 0.00 C ATOM 1054 O GLU A 66 11.435 -5.624 3.104 1.00 0.00 O ATOM 1055 CB GLU A 66 14.451 -6.452 4.154 1.00 0.00 C ATOM 1056 CG GLU A 66 15.453 -5.321 4.265 1.00 0.00 C ATOM 1057 CD GLU A 66 16.619 -5.519 3.372 1.00 0.00 C ATOM 1058 OE1 GLU A 66 16.560 -5.074 2.242 1.00 0.00 O ATOM 1059 OE2 GLU A 66 17.621 -6.138 3.784 1.00 0.00 O ATOM 0 H GLU A 66 11.501 -7.330 4.100 1.00 0.00 H new ATOM 0 HA GLU A 66 13.217 -5.714 5.724 1.00 0.00 H new ATOM 0 HB2 GLU A 66 14.852 -7.327 4.665 1.00 0.00 H new ATOM 0 HB3 GLU A 66 14.340 -6.720 3.103 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.964 -4.379 4.018 1.00 0.00 H new ATOM 0 HG3 GLU A 66 15.796 -5.241 5.296 1.00 0.00 H new ATOM 1066 N ARG A 67 12.748 -3.946 3.763 1.00 0.00 N ATOM 1067 CA ARG A 67 12.124 -2.981 2.893 1.00 0.00 C ATOM 1068 C ARG A 67 12.582 -3.159 1.472 1.00 0.00 C ATOM 1069 O ARG A 67 11.831 -2.913 0.535 1.00 0.00 O ATOM 1070 CB ARG A 67 12.366 -1.560 3.390 1.00 0.00 C ATOM 1071 CG ARG A 67 11.578 -0.469 2.660 1.00 0.00 C ATOM 1072 CD ARG A 67 10.120 -0.888 2.456 1.00 0.00 C ATOM 1073 NE ARG A 67 9.177 0.251 2.354 1.00 0.00 N ATOM 1074 CZ ARG A 67 9.105 1.147 1.358 1.00 0.00 C ATOM 1075 NH1 ARG A 67 9.893 1.039 0.306 1.00 0.00 N ATOM 1076 NH2 ARG A 67 8.215 2.136 1.407 1.00 0.00 N ATOM 0 H ARG A 67 13.506 -3.573 4.334 1.00 0.00 H new ATOM 0 HA ARG A 67 11.048 -3.154 2.912 1.00 0.00 H new ATOM 0 HB2 ARG A 67 12.118 -1.516 4.451 1.00 0.00 H new ATOM 0 HB3 ARG A 67 13.429 -1.338 3.302 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.617 0.458 3.233 1.00 0.00 H new ATOM 0 HG3 ARG A 67 12.040 -0.266 1.694 1.00 0.00 H new ATOM 0 HD2 ARG A 67 10.048 -1.489 1.549 1.00 0.00 H new ATOM 0 HD3 ARG A 67 9.816 -1.526 3.286 1.00 0.00 H new ATOM 0 HE ARG A 67 8.514 0.366 3.121 1.00 0.00 H new ATOM 0 HH11 ARG A 67 10.562 0.271 0.246 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.834 1.723 -0.448 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.584 2.215 2.204 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.164 2.815 0.647 1.00 0.00 H new ATOM 1090 N SER A 68 13.780 -3.633 1.299 1.00 0.00 N ATOM 1091 CA SER A 68 14.278 -3.852 -0.015 1.00 0.00 C ATOM 1092 C SER A 68 14.125 -5.344 -0.354 1.00 0.00 C ATOM 1093 O SER A 68 14.921 -5.953 -1.076 1.00 0.00 O ATOM 1094 CB SER A 68 15.725 -3.335 -0.132 1.00 0.00 C ATOM 1095 OG SER A 68 16.244 -3.451 -1.448 1.00 0.00 O ATOM 0 H SER A 68 14.424 -3.873 2.052 1.00 0.00 H new ATOM 0 HA SER A 68 13.704 -3.288 -0.751 1.00 0.00 H new ATOM 0 HB2 SER A 68 15.759 -2.290 0.177 1.00 0.00 H new ATOM 0 HB3 SER A 68 16.362 -3.891 0.556 1.00 0.00 H new ATOM 0 HG SER A 68 15.513 -3.373 -2.096 1.00 0.00 H new ATOM 1101 N THR A 69 13.081 -5.909 0.165 1.00 0.00 N ATOM 1102 CA THR A 69 12.725 -7.279 -0.051 1.00 0.00 C ATOM 1103 C THR A 69 11.194 -7.342 0.009 1.00 0.00 C ATOM 1104 O THR A 69 10.566 -6.387 0.475 1.00 0.00 O ATOM 1105 CB THR A 69 13.367 -8.176 1.050 1.00 0.00 C ATOM 1106 OG1 THR A 69 14.774 -7.875 1.139 1.00 0.00 O ATOM 1107 CG2 THR A 69 13.216 -9.664 0.733 1.00 0.00 C ATOM 0 H THR A 69 12.429 -5.413 0.773 1.00 0.00 H new ATOM 0 HA THR A 69 13.087 -7.644 -1.012 1.00 0.00 H new ATOM 0 HB THR A 69 12.854 -7.968 1.989 1.00 0.00 H new ATOM 0 HG1 THR A 69 15.185 -8.434 1.831 1.00 0.00 H new ATOM 0 HG21 THR A 69 13.677 -10.253 1.526 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.158 -9.915 0.663 1.00 0.00 H new ATOM 0 HG23 THR A 69 13.705 -9.885 -0.215 1.00 0.00 H new ATOM 1115 N VAL A 70 10.616 -8.400 -0.498 1.00 0.00 N ATOM 1116 CA VAL A 70 9.176 -8.579 -0.508 1.00 0.00 C ATOM 1117 C VAL A 70 8.583 -8.655 0.902 1.00 0.00 C ATOM 1118 O VAL A 70 9.013 -9.446 1.758 1.00 0.00 O ATOM 1119 CB VAL A 70 8.761 -9.826 -1.336 1.00 0.00 C ATOM 1120 CG1 VAL A 70 9.100 -9.638 -2.794 1.00 0.00 C ATOM 1121 CG2 VAL A 70 9.412 -11.092 -0.815 1.00 0.00 C ATOM 0 H VAL A 70 11.131 -9.172 -0.921 1.00 0.00 H new ATOM 0 HA VAL A 70 8.764 -7.691 -0.988 1.00 0.00 H new ATOM 0 HB VAL A 70 7.681 -9.934 -1.231 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.800 -10.524 -3.354 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.571 -8.767 -3.181 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.174 -9.487 -2.901 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.095 -11.940 -1.422 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.496 -10.992 -0.868 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.113 -11.255 0.221 1.00 0.00 H new ATOM 1131 N MET A 71 7.647 -7.792 1.153 1.00 0.00 N ATOM 1132 CA MET A 71 6.951 -7.765 2.408 1.00 0.00 C ATOM 1133 C MET A 71 5.470 -7.622 2.157 1.00 0.00 C ATOM 1134 O MET A 71 5.053 -7.051 1.131 1.00 0.00 O ATOM 1135 CB MET A 71 7.395 -6.582 3.289 1.00 0.00 C ATOM 1136 CG MET A 71 7.022 -5.213 2.730 1.00 0.00 C ATOM 1137 SD MET A 71 7.147 -3.872 3.939 1.00 0.00 S ATOM 1138 CE MET A 71 8.886 -3.888 4.281 1.00 0.00 C ATOM 0 H MET A 71 7.340 -7.080 0.490 1.00 0.00 H new ATOM 0 HA MET A 71 7.181 -8.696 2.925 1.00 0.00 H new ATOM 0 HB2 MET A 71 6.949 -6.692 4.278 1.00 0.00 H new ATOM 0 HB3 MET A 71 8.476 -6.626 3.420 1.00 0.00 H new ATOM 0 HG2 MET A 71 7.670 -4.988 1.883 1.00 0.00 H new ATOM 0 HG3 MET A 71 6.002 -5.252 2.349 1.00 0.00 H new ATOM 0 HE1 MET A 71 9.137 -3.048 4.929 1.00 0.00 H new ATOM 0 HE2 MET A 71 9.150 -4.821 4.778 1.00 0.00 H new ATOM 0 HE3 MET A 71 9.441 -3.804 3.347 1.00 0.00 H new ATOM 1148 N ILE A 72 4.694 -8.129 3.067 1.00 0.00 N ATOM 1149 CA ILE A 72 3.263 -8.016 3.028 1.00 0.00 C ATOM 1150 C ILE A 72 2.887 -7.320 4.321 1.00 0.00 C ATOM 1151 O ILE A 72 2.781 -7.958 5.344 1.00 0.00 O ATOM 1152 CB ILE A 72 2.547 -9.400 2.959 1.00 0.00 C ATOM 1153 CG1 ILE A 72 3.057 -10.209 1.758 1.00 0.00 C ATOM 1154 CG2 ILE A 72 1.028 -9.202 2.861 1.00 0.00 C ATOM 1155 CD1 ILE A 72 2.457 -11.598 1.636 1.00 0.00 C ATOM 0 H ILE A 72 5.043 -8.644 3.875 1.00 0.00 H new ATOM 0 HA ILE A 72 2.954 -7.474 2.134 1.00 0.00 H new ATOM 0 HB ILE A 72 2.772 -9.956 3.869 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.844 -9.653 0.845 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.141 -10.300 1.831 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.537 -10.174 2.813 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.674 -8.659 3.738 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.793 -8.632 1.962 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.873 -12.098 0.761 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.692 -12.176 2.530 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.375 -11.519 1.529 1.00 0.00 H new ATOM 1167 N PRO A 73 2.820 -5.992 4.317 1.00 0.00 N ATOM 1168 CA PRO A 73 2.529 -5.213 5.501 1.00 0.00 C ATOM 1169 C PRO A 73 1.105 -4.646 5.523 1.00 0.00 C ATOM 1170 O PRO A 73 0.907 -3.476 5.891 1.00 0.00 O ATOM 1171 CB PRO A 73 3.534 -4.078 5.322 1.00 0.00 C ATOM 1172 CG PRO A 73 3.575 -3.837 3.834 1.00 0.00 C ATOM 1173 CD PRO A 73 3.075 -5.110 3.172 1.00 0.00 C ATOM 0 HA PRO A 73 2.599 -5.789 6.424 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.221 -3.183 5.860 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.516 -4.354 5.706 1.00 0.00 H new ATOM 0 HG2 PRO A 73 2.948 -2.988 3.562 1.00 0.00 H new ATOM 0 HG3 PRO A 73 4.588 -3.603 3.508 1.00 0.00 H new ATOM 0 HD2 PRO A 73 2.172 -4.934 2.587 1.00 0.00 H new ATOM 0 HD3 PRO A 73 3.817 -5.532 2.494 1.00 0.00 H new ATOM 1181 N TYR A 74 0.108 -5.451 5.182 1.00 0.00 N ATOM 1182 CA TYR A 74 -1.214 -4.962 5.147 1.00 0.00 C ATOM 1183 C TYR A 74 -2.189 -5.961 5.644 1.00 0.00 C ATOM 1184 O TYR A 74 -2.284 -6.225 6.836 1.00 0.00 O ATOM 1185 CB TYR A 74 -1.635 -4.395 3.772 1.00 0.00 C ATOM 1186 CG TYR A 74 -0.884 -3.147 3.327 1.00 0.00 C ATOM 1187 CD1 TYR A 74 -1.176 -1.910 3.879 1.00 0.00 C ATOM 1188 CD2 TYR A 74 0.127 -3.212 2.375 1.00 0.00 C ATOM 1189 CE1 TYR A 74 -0.484 -0.776 3.505 1.00 0.00 C ATOM 1190 CE2 TYR A 74 0.821 -2.079 1.987 1.00 0.00 C ATOM 1191 CZ TYR A 74 0.512 -0.864 2.559 1.00 0.00 C ATOM 1192 OH TYR A 74 1.212 0.265 2.204 1.00 0.00 O ATOM 0 H TYR A 74 0.214 -6.434 4.932 1.00 0.00 H new ATOM 0 HA TYR A 74 -1.223 -4.115 5.833 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -1.496 -5.171 3.019 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -2.700 -4.167 3.802 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -1.961 -1.832 4.617 1.00 0.00 H new ATOM 0 HD2 TYR A 74 0.376 -4.164 1.930 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -0.723 0.177 3.953 1.00 0.00 H new ATOM 0 HE2 TYR A 74 1.599 -2.147 1.241 1.00 0.00 H new ATOM 0 HH TYR A 74 1.881 0.035 1.526 1.00 0.00 H new ATOM 1202 N THR A 75 -2.854 -6.543 4.743 1.00 0.00 N ATOM 1203 CA THR A 75 -3.890 -7.475 5.018 1.00 0.00 C ATOM 1204 C THR A 75 -4.221 -8.333 3.805 1.00 0.00 C ATOM 1205 O THR A 75 -3.624 -8.197 2.727 1.00 0.00 O ATOM 1206 CB THR A 75 -5.172 -6.682 5.286 1.00 0.00 C ATOM 1207 OG1 THR A 75 -5.267 -5.573 4.381 1.00 0.00 O ATOM 1208 CG2 THR A 75 -5.374 -6.238 6.716 1.00 0.00 C ATOM 0 H THR A 75 -2.698 -6.388 3.747 1.00 0.00 H new ATOM 0 HA THR A 75 -3.558 -8.097 5.849 1.00 0.00 H new ATOM 0 HB THR A 75 -5.987 -7.384 5.106 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.248 -5.902 3.458 1.00 0.00 H new ATOM 0 HG21 THR A 75 -6.310 -5.685 6.797 1.00 0.00 H new ATOM 0 HG22 THR A 75 -5.411 -7.112 7.366 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.547 -5.596 7.018 1.00 0.00 H new ATOM 1216 N LYS A 76 -5.174 -9.217 4.021 1.00 0.00 N ATOM 1217 CA LYS A 76 -5.763 -10.067 3.016 1.00 0.00 C ATOM 1218 C LYS A 76 -7.256 -9.740 3.040 1.00 0.00 C ATOM 1219 O LYS A 76 -8.017 -10.323 3.823 1.00 0.00 O ATOM 1220 CB LYS A 76 -5.568 -11.554 3.323 1.00 0.00 C ATOM 1221 CG LYS A 76 -4.137 -12.031 3.279 1.00 0.00 C ATOM 1222 CD LYS A 76 -4.054 -13.499 3.652 1.00 0.00 C ATOM 1223 CE LYS A 76 -2.644 -14.022 3.512 1.00 0.00 C ATOM 1224 NZ LYS A 76 -2.542 -15.447 3.875 1.00 0.00 N ATOM 0 H LYS A 76 -5.575 -9.366 4.947 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.295 -9.889 2.048 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.974 -11.762 4.313 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.152 -12.137 2.610 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -3.728 -11.880 2.280 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.530 -11.441 3.965 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -4.394 -13.635 4.678 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -4.723 -14.077 3.015 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.308 -13.885 2.484 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.977 -13.438 4.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.558 -15.764 3.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.838 -15.575 4.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -3.158 -16.009 3.253 1.00 0.00 H new ATOM 1238 N PRO A 77 -7.670 -8.705 2.318 1.00 0.00 N ATOM 1239 CA PRO A 77 -9.034 -8.261 2.296 1.00 0.00 C ATOM 1240 C PRO A 77 -9.796 -8.661 1.030 1.00 0.00 C ATOM 1241 O PRO A 77 -9.337 -9.483 0.228 1.00 0.00 O ATOM 1242 CB PRO A 77 -8.853 -6.748 2.321 1.00 0.00 C ATOM 1243 CG PRO A 77 -7.556 -6.505 1.602 1.00 0.00 C ATOM 1244 CD PRO A 77 -6.838 -7.832 1.504 1.00 0.00 C ATOM 0 HA PRO A 77 -9.618 -8.692 3.109 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -9.681 -6.242 1.825 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -8.816 -6.371 3.343 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -7.739 -6.093 0.609 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -6.948 -5.779 2.142 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.771 -8.181 0.474 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.819 -7.771 1.887 1.00 0.00 H new ATOM 1252 N CYS A 78 -10.952 -8.045 0.869 1.00 0.00 N ATOM 1253 CA CYS A 78 -11.820 -8.231 -0.263 1.00 0.00 C ATOM 1254 C CYS A 78 -11.222 -7.556 -1.497 1.00 0.00 C ATOM 1255 O CYS A 78 -11.543 -7.913 -2.626 1.00 0.00 O ATOM 1256 CB CYS A 78 -13.193 -7.630 0.078 1.00 0.00 C ATOM 1257 SG CYS A 78 -14.434 -7.724 -1.225 1.00 0.00 S ATOM 0 H CYS A 78 -11.319 -7.380 1.550 1.00 0.00 H new ATOM 0 HA CYS A 78 -11.932 -9.292 -0.485 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -13.581 -8.137 0.961 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -13.054 -6.583 0.347 1.00 0.00 H new ATOM 0 HG CYS A 78 -13.844 -7.798 -2.381 1.00 0.00 H new ATOM 1263 N TYR A 79 -10.346 -6.592 -1.266 1.00 0.00 N ATOM 1264 CA TYR A 79 -9.707 -5.880 -2.344 1.00 0.00 C ATOM 1265 C TYR A 79 -8.620 -6.744 -2.990 1.00 0.00 C ATOM 1266 O TYR A 79 -8.772 -7.192 -4.130 1.00 0.00 O ATOM 1267 CB TYR A 79 -9.137 -4.542 -1.853 1.00 0.00 C ATOM 1268 CG TYR A 79 -8.453 -3.729 -2.931 1.00 0.00 C ATOM 1269 CD1 TYR A 79 -9.196 -3.036 -3.872 1.00 0.00 C ATOM 1270 CD2 TYR A 79 -7.063 -3.658 -3.007 1.00 0.00 C ATOM 1271 CE1 TYR A 79 -8.581 -2.295 -4.854 1.00 0.00 C ATOM 1272 CE2 TYR A 79 -6.442 -2.917 -3.988 1.00 0.00 C ATOM 1273 CZ TYR A 79 -7.206 -2.240 -4.910 1.00 0.00 C ATOM 1274 OH TYR A 79 -6.595 -1.502 -5.892 1.00 0.00 O ATOM 0 H TYR A 79 -10.065 -6.288 -0.334 1.00 0.00 H new ATOM 0 HA TYR A 79 -10.457 -5.661 -3.104 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -9.946 -3.950 -1.425 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -8.424 -4.735 -1.051 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.275 -3.078 -3.834 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -6.463 -4.193 -2.285 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -9.175 -1.758 -5.579 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -5.364 -2.868 -4.033 1.00 0.00 H new ATOM 0 HH TYR A 79 -5.709 -1.876 -6.079 1.00 0.00 H new ATOM 1284 N GLY A 80 -7.552 -6.985 -2.255 1.00 0.00 N ATOM 1285 CA GLY A 80 -6.464 -7.789 -2.738 1.00 0.00 C ATOM 1286 C GLY A 80 -5.289 -7.706 -1.797 1.00 0.00 C ATOM 1287 O GLY A 80 -5.234 -6.802 -0.956 1.00 0.00 O ATOM 0 H GLY A 80 -7.421 -6.626 -1.309 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -6.786 -8.826 -2.837 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.167 -7.451 -3.731 1.00 0.00 H new ATOM 1291 N THR A 81 -4.368 -8.621 -1.926 1.00 0.00 N ATOM 1292 CA THR A 81 -3.221 -8.688 -1.065 1.00 0.00 C ATOM 1293 C THR A 81 -2.085 -7.890 -1.687 1.00 0.00 C ATOM 1294 O THR A 81 -1.972 -7.789 -2.921 1.00 0.00 O ATOM 1295 CB THR A 81 -2.826 -10.148 -0.829 1.00 0.00 C ATOM 1296 OG1 THR A 81 -4.022 -10.897 -0.564 1.00 0.00 O ATOM 1297 CG2 THR A 81 -1.884 -10.294 0.364 1.00 0.00 C ATOM 0 H THR A 81 -4.394 -9.349 -2.640 1.00 0.00 H new ATOM 0 HA THR A 81 -3.455 -8.253 -0.093 1.00 0.00 H new ATOM 0 HB THR A 81 -2.308 -10.515 -1.715 1.00 0.00 H new ATOM 0 HG1 THR A 81 -3.792 -11.837 -0.411 1.00 0.00 H new ATOM 0 HG21 THR A 81 -1.627 -11.345 0.498 1.00 0.00 H new ATOM 0 HG22 THR A 81 -0.976 -9.719 0.183 1.00 0.00 H new ATOM 0 HG23 THR A 81 -2.376 -9.923 1.263 1.00 0.00 H new ATOM 1305 N ALA A 82 -1.231 -7.363 -0.860 1.00 0.00 N ATOM 1306 CA ALA A 82 -0.195 -6.516 -1.334 1.00 0.00 C ATOM 1307 C ALA A 82 1.187 -6.926 -0.878 1.00 0.00 C ATOM 1308 O ALA A 82 1.437 -7.078 0.304 1.00 0.00 O ATOM 1309 CB ALA A 82 -0.479 -5.106 -0.858 1.00 0.00 C ATOM 0 H ALA A 82 -1.238 -7.510 0.149 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.191 -6.588 -2.422 1.00 0.00 H new ATOM 0 HB1 ALA A 82 0.306 -4.438 -1.212 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.441 -4.776 -1.251 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.507 -5.088 0.232 1.00 0.00 H new ATOM 1315 N VAL A 83 2.070 -7.090 -1.833 1.00 0.00 N ATOM 1316 CA VAL A 83 3.456 -7.395 -1.574 1.00 0.00 C ATOM 1317 C VAL A 83 4.233 -6.225 -2.150 1.00 0.00 C ATOM 1318 O VAL A 83 3.948 -5.778 -3.271 1.00 0.00 O ATOM 1319 CB VAL A 83 3.906 -8.701 -2.283 1.00 0.00 C ATOM 1320 CG1 VAL A 83 5.277 -9.137 -1.799 1.00 0.00 C ATOM 1321 CG2 VAL A 83 2.895 -9.814 -2.097 1.00 0.00 C ATOM 0 H VAL A 83 1.843 -7.014 -2.825 1.00 0.00 H new ATOM 0 HA VAL A 83 3.623 -7.543 -0.507 1.00 0.00 H new ATOM 0 HB VAL A 83 3.970 -8.486 -3.350 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.569 -10.054 -2.311 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.005 -8.354 -2.014 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.243 -9.316 -0.724 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.244 -10.712 -2.607 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.776 -10.024 -1.034 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.936 -9.508 -2.516 1.00 0.00 H new ATOM 1331 N VAL A 84 5.117 -5.662 -1.396 1.00 0.00 N ATOM 1332 CA VAL A 84 5.879 -4.538 -1.889 1.00 0.00 C ATOM 1333 C VAL A 84 7.360 -4.902 -1.789 1.00 0.00 C ATOM 1334 O VAL A 84 7.747 -5.628 -0.864 1.00 0.00 O ATOM 1335 CB VAL A 84 5.557 -3.182 -1.098 1.00 0.00 C ATOM 1336 CG1 VAL A 84 4.099 -3.109 -0.669 1.00 0.00 C ATOM 1337 CG2 VAL A 84 6.480 -2.926 0.089 1.00 0.00 C ATOM 0 H VAL A 84 5.337 -5.950 -0.443 1.00 0.00 H new ATOM 0 HA VAL A 84 5.602 -4.342 -2.925 1.00 0.00 H new ATOM 0 HB VAL A 84 5.750 -2.384 -1.815 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.923 -2.175 -0.136 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.458 -3.151 -1.550 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.870 -3.949 -0.013 1.00 0.00 H new ATOM 0 HG21 VAL A 84 6.199 -1.991 0.573 1.00 0.00 H new ATOM 0 HG22 VAL A 84 6.390 -3.745 0.803 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.511 -2.859 -0.259 1.00 0.00 H new ATOM 1347 N GLU A 85 8.151 -4.492 -2.762 1.00 0.00 N ATOM 1348 CA GLU A 85 9.579 -4.745 -2.739 1.00 0.00 C ATOM 1349 C GLU A 85 10.300 -3.543 -3.314 1.00 0.00 C ATOM 1350 O GLU A 85 10.029 -3.114 -4.428 1.00 0.00 O ATOM 1351 CB GLU A 85 9.942 -6.036 -3.498 1.00 0.00 C ATOM 1352 CG GLU A 85 11.429 -6.353 -3.482 1.00 0.00 C ATOM 1353 CD GLU A 85 11.779 -7.709 -4.052 1.00 0.00 C ATOM 1354 OE1 GLU A 85 11.560 -7.958 -5.256 1.00 0.00 O ATOM 1355 OE2 GLU A 85 12.327 -8.543 -3.299 1.00 0.00 O ATOM 0 H GLU A 85 7.827 -3.980 -3.582 1.00 0.00 H new ATOM 0 HA GLU A 85 9.896 -4.896 -1.707 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.396 -6.871 -3.059 1.00 0.00 H new ATOM 0 HB3 GLU A 85 9.609 -5.946 -4.532 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.959 -5.586 -4.047 1.00 0.00 H new ATOM 0 HG3 GLU A 85 11.790 -6.299 -2.455 1.00 0.00 H new ATOM 1362 N LEU A 86 11.171 -2.973 -2.545 1.00 0.00 N ATOM 1363 CA LEU A 86 11.884 -1.796 -2.954 1.00 0.00 C ATOM 1364 C LEU A 86 13.284 -2.191 -3.443 1.00 0.00 C ATOM 1365 O LEU A 86 13.921 -3.034 -2.840 1.00 0.00 O ATOM 1366 CB LEU A 86 11.995 -0.864 -1.750 1.00 0.00 C ATOM 1367 CG LEU A 86 12.606 0.502 -1.977 1.00 0.00 C ATOM 1368 CD1 LEU A 86 11.660 1.409 -2.737 1.00 0.00 C ATOM 1369 CD2 LEU A 86 13.036 1.115 -0.664 1.00 0.00 C ATOM 0 H LEU A 86 11.412 -3.308 -1.612 1.00 0.00 H new ATOM 0 HA LEU A 86 11.359 -1.294 -3.766 1.00 0.00 H new ATOM 0 HB2 LEU A 86 10.994 -0.721 -1.342 1.00 0.00 H new ATOM 0 HB3 LEU A 86 12.582 -1.372 -0.985 1.00 0.00 H new ATOM 0 HG LEU A 86 13.495 0.380 -2.595 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.128 2.382 -2.884 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.432 0.966 -3.706 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.738 1.532 -2.168 1.00 0.00 H new ATOM 0 HD21 LEU A 86 13.473 2.097 -0.847 1.00 0.00 H new ATOM 0 HD22 LEU A 86 12.170 1.219 -0.010 1.00 0.00 H new ATOM 0 HD23 LEU A 86 13.775 0.472 -0.187 1.00 0.00 H new ATOM 1381 N PRO A 87 13.769 -1.619 -4.556 1.00 0.00 N ATOM 1382 CA PRO A 87 15.123 -1.908 -5.060 1.00 0.00 C ATOM 1383 C PRO A 87 16.172 -0.979 -4.425 1.00 0.00 C ATOM 1384 O PRO A 87 17.385 -1.142 -4.605 1.00 0.00 O ATOM 1385 CB PRO A 87 14.986 -1.606 -6.548 1.00 0.00 C ATOM 1386 CG PRO A 87 13.988 -0.499 -6.617 1.00 0.00 C ATOM 1387 CD PRO A 87 13.037 -0.701 -5.460 1.00 0.00 C ATOM 0 HA PRO A 87 15.455 -2.922 -4.835 1.00 0.00 H new ATOM 0 HB2 PRO A 87 15.940 -1.307 -6.981 1.00 0.00 H new ATOM 0 HB3 PRO A 87 14.646 -2.482 -7.101 1.00 0.00 H new ATOM 0 HG2 PRO A 87 14.480 0.471 -6.549 1.00 0.00 H new ATOM 0 HG3 PRO A 87 13.453 -0.519 -7.566 1.00 0.00 H new ATOM 0 HD2 PRO A 87 12.801 0.242 -4.967 1.00 0.00 H new ATOM 0 HD3 PRO A 87 12.092 -1.133 -5.790 1.00 0.00 H new ATOM 1395 N VAL A 88 15.682 -0.043 -3.663 1.00 0.00 N ATOM 1396 CA VAL A 88 16.483 0.966 -3.013 1.00 0.00 C ATOM 1397 C VAL A 88 16.693 0.520 -1.579 1.00 0.00 C ATOM 1398 O VAL A 88 15.962 -0.345 -1.094 1.00 0.00 O ATOM 1399 CB VAL A 88 15.752 2.352 -3.032 1.00 0.00 C ATOM 1400 CG1 VAL A 88 16.658 3.497 -2.581 1.00 0.00 C ATOM 1401 CG2 VAL A 88 15.166 2.644 -4.401 1.00 0.00 C ATOM 0 H VAL A 88 14.685 0.045 -3.468 1.00 0.00 H new ATOM 0 HA VAL A 88 17.434 1.083 -3.533 1.00 0.00 H new ATOM 0 HB VAL A 88 14.937 2.283 -2.312 1.00 0.00 H new ATOM 0 HG11 VAL A 88 16.103 4.434 -2.613 1.00 0.00 H new ATOM 0 HG12 VAL A 88 16.999 3.312 -1.562 1.00 0.00 H new ATOM 0 HG13 VAL A 88 17.519 3.563 -3.246 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.665 3.612 -4.383 1.00 0.00 H new ATOM 0 HG22 VAL A 88 15.965 2.662 -5.142 1.00 0.00 H new ATOM 0 HG23 VAL A 88 14.446 1.868 -4.662 1.00 0.00 H new ATOM 1411 N ASP A 89 17.650 1.106 -0.915 1.00 0.00 N ATOM 1412 CA ASP A 89 17.995 0.760 0.443 1.00 0.00 C ATOM 1413 C ASP A 89 16.840 1.104 1.386 1.00 0.00 C ATOM 1414 O ASP A 89 16.105 2.076 1.141 1.00 0.00 O ATOM 1415 CB ASP A 89 19.258 1.532 0.849 1.00 0.00 C ATOM 1416 CG ASP A 89 19.786 1.178 2.229 1.00 0.00 C ATOM 1417 OD1 ASP A 89 19.287 1.725 3.242 1.00 0.00 O ATOM 1418 OD2 ASP A 89 20.730 0.360 2.319 1.00 0.00 O ATOM 0 H ASP A 89 18.225 1.852 -1.306 1.00 0.00 H new ATOM 0 HA ASP A 89 18.184 -0.311 0.510 1.00 0.00 H new ATOM 0 HB2 ASP A 89 20.039 1.341 0.113 1.00 0.00 H new ATOM 0 HB3 ASP A 89 19.044 2.600 0.817 1.00 0.00 H new ATOM 1423 N PRO A 90 16.624 0.280 2.445 1.00 0.00 N ATOM 1424 CA PRO A 90 15.591 0.510 3.473 1.00 0.00 C ATOM 1425 C PRO A 90 15.572 1.938 4.093 1.00 0.00 C ATOM 1426 O PRO A 90 14.636 2.276 4.821 1.00 0.00 O ATOM 1427 CB PRO A 90 15.894 -0.538 4.558 1.00 0.00 C ATOM 1428 CG PRO A 90 17.147 -1.238 4.133 1.00 0.00 C ATOM 1429 CD PRO A 90 17.314 -1.001 2.672 1.00 0.00 C ATOM 0 HA PRO A 90 14.604 0.421 3.019 1.00 0.00 H new ATOM 0 HB2 PRO A 90 16.025 -0.063 5.530 1.00 0.00 H new ATOM 0 HB3 PRO A 90 15.069 -1.244 4.657 1.00 0.00 H new ATOM 0 HG2 PRO A 90 18.006 -0.856 4.685 1.00 0.00 H new ATOM 0 HG3 PRO A 90 17.081 -2.305 4.344 1.00 0.00 H new ATOM 0 HD2 PRO A 90 18.366 -0.944 2.393 1.00 0.00 H new ATOM 0 HD3 PRO A 90 16.871 -1.804 2.083 1.00 0.00 H new ATOM 1437 N GLU A 91 16.591 2.766 3.803 1.00 0.00 N ATOM 1438 CA GLU A 91 16.655 4.162 4.276 1.00 0.00 C ATOM 1439 C GLU A 91 15.463 4.970 3.785 1.00 0.00 C ATOM 1440 O GLU A 91 15.170 6.059 4.310 1.00 0.00 O ATOM 1441 CB GLU A 91 17.916 4.847 3.814 1.00 0.00 C ATOM 1442 CG GLU A 91 18.097 4.821 2.316 1.00 0.00 C ATOM 1443 CD GLU A 91 19.237 5.664 1.865 1.00 0.00 C ATOM 1444 OE1 GLU A 91 20.364 5.475 2.362 1.00 0.00 O ATOM 1445 OE2 GLU A 91 19.025 6.557 1.024 1.00 0.00 O ATOM 0 H GLU A 91 17.392 2.488 3.236 1.00 0.00 H new ATOM 0 HA GLU A 91 16.644 4.117 5.365 1.00 0.00 H new ATOM 0 HB2 GLU A 91 17.903 5.883 4.153 1.00 0.00 H new ATOM 0 HB3 GLU A 91 18.774 4.368 4.285 1.00 0.00 H new ATOM 0 HG2 GLU A 91 18.258 3.793 1.991 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.181 5.167 1.837 1.00 0.00 H new ATOM 1452 N GLU A 92 14.802 4.464 2.751 1.00 0.00 N ATOM 1453 CA GLU A 92 13.611 5.093 2.237 1.00 0.00 C ATOM 1454 C GLU A 92 12.521 5.137 3.295 1.00 0.00 C ATOM 1455 O GLU A 92 11.627 5.938 3.207 1.00 0.00 O ATOM 1456 CB GLU A 92 13.110 4.405 0.976 1.00 0.00 C ATOM 1457 CG GLU A 92 13.984 4.652 -0.236 1.00 0.00 C ATOM 1458 CD GLU A 92 13.974 6.098 -0.668 1.00 0.00 C ATOM 1459 OE1 GLU A 92 14.777 6.892 -0.167 1.00 0.00 O ATOM 1460 OE2 GLU A 92 13.168 6.463 -1.552 1.00 0.00 O ATOM 0 H GLU A 92 15.079 3.616 2.256 1.00 0.00 H new ATOM 0 HA GLU A 92 13.874 6.117 1.970 1.00 0.00 H new ATOM 0 HB2 GLU A 92 13.049 3.332 1.157 1.00 0.00 H new ATOM 0 HB3 GLU A 92 12.099 4.750 0.761 1.00 0.00 H new ATOM 0 HG2 GLU A 92 15.007 4.350 -0.010 1.00 0.00 H new ATOM 0 HG3 GLU A 92 13.642 4.027 -1.061 1.00 0.00 H new ATOM 1467 N ILE A 93 12.623 4.288 4.321 1.00 0.00 N ATOM 1468 CA ILE A 93 11.656 4.292 5.412 1.00 0.00 C ATOM 1469 C ILE A 93 11.683 5.633 6.140 1.00 0.00 C ATOM 1470 O ILE A 93 10.655 6.132 6.504 1.00 0.00 O ATOM 1471 CB ILE A 93 11.872 3.120 6.411 1.00 0.00 C ATOM 1472 CG1 ILE A 93 11.562 1.770 5.756 1.00 0.00 C ATOM 1473 CG2 ILE A 93 11.050 3.291 7.696 1.00 0.00 C ATOM 1474 CD1 ILE A 93 10.112 1.607 5.329 1.00 0.00 C ATOM 0 H ILE A 93 13.364 3.593 4.415 1.00 0.00 H new ATOM 0 HA ILE A 93 10.672 4.145 4.967 1.00 0.00 H new ATOM 0 HB ILE A 93 12.925 3.139 6.691 1.00 0.00 H new ATOM 0 HG12 ILE A 93 12.203 1.646 4.883 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.816 0.972 6.454 1.00 0.00 H new ATOM 0 HG21 ILE A 93 11.235 2.448 8.361 1.00 0.00 H new ATOM 0 HG22 ILE A 93 11.341 4.216 8.194 1.00 0.00 H new ATOM 0 HG23 ILE A 93 9.990 3.331 7.447 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.975 0.626 4.875 1.00 0.00 H new ATOM 0 HD12 ILE A 93 9.464 1.697 6.201 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.857 2.381 4.605 1.00 0.00 H new ATOM 1486 N GLU A 94 12.865 6.235 6.292 1.00 0.00 N ATOM 1487 CA GLU A 94 12.968 7.556 6.943 1.00 0.00 C ATOM 1488 C GLU A 94 12.164 8.589 6.142 1.00 0.00 C ATOM 1489 O GLU A 94 11.445 9.427 6.700 1.00 0.00 O ATOM 1490 CB GLU A 94 14.432 8.023 7.092 1.00 0.00 C ATOM 1491 CG GLU A 94 15.284 7.272 8.128 1.00 0.00 C ATOM 1492 CD GLU A 94 15.528 5.816 7.808 1.00 0.00 C ATOM 1493 OE1 GLU A 94 16.441 5.521 7.031 1.00 0.00 O ATOM 1494 OE2 GLU A 94 14.811 4.944 8.349 1.00 0.00 O ATOM 0 H GLU A 94 13.754 5.842 5.981 1.00 0.00 H new ATOM 0 HA GLU A 94 12.557 7.462 7.948 1.00 0.00 H new ATOM 0 HB2 GLU A 94 14.919 7.937 6.121 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.429 9.081 7.354 1.00 0.00 H new ATOM 0 HG2 GLU A 94 16.246 7.776 8.221 1.00 0.00 H new ATOM 0 HG3 GLU A 94 14.794 7.339 9.099 1.00 0.00 H new ATOM 1501 N ARG A 95 12.248 8.457 4.836 1.00 0.00 N ATOM 1502 CA ARG A 95 11.531 9.299 3.894 1.00 0.00 C ATOM 1503 C ARG A 95 10.032 8.989 3.971 1.00 0.00 C ATOM 1504 O ARG A 95 9.198 9.869 4.090 1.00 0.00 O ATOM 1505 CB ARG A 95 12.026 8.978 2.486 1.00 0.00 C ATOM 1506 CG ARG A 95 11.300 9.698 1.375 1.00 0.00 C ATOM 1507 CD ARG A 95 11.657 9.094 0.040 1.00 0.00 C ATOM 1508 NE ARG A 95 11.037 9.819 -1.065 1.00 0.00 N ATOM 1509 CZ ARG A 95 11.169 9.519 -2.357 1.00 0.00 C ATOM 1510 NH1 ARG A 95 11.872 8.457 -2.738 1.00 0.00 N ATOM 1511 NH2 ARG A 95 10.579 10.283 -3.273 1.00 0.00 N ATOM 0 H ARG A 95 12.828 7.748 4.387 1.00 0.00 H new ATOM 0 HA ARG A 95 11.701 10.349 4.131 1.00 0.00 H new ATOM 0 HB2 ARG A 95 13.086 9.223 2.425 1.00 0.00 H new ATOM 0 HB3 ARG A 95 11.937 7.904 2.322 1.00 0.00 H new ATOM 0 HG2 ARG A 95 10.224 9.635 1.534 1.00 0.00 H new ATOM 0 HG3 ARG A 95 11.563 10.756 1.385 1.00 0.00 H new ATOM 0 HD2 ARG A 95 12.740 9.099 -0.084 1.00 0.00 H new ATOM 0 HD3 ARG A 95 11.338 8.052 0.015 1.00 0.00 H new ATOM 0 HE ARG A 95 10.454 10.622 -0.829 1.00 0.00 H new ATOM 0 HH11 ARG A 95 12.317 7.862 -2.039 1.00 0.00 H new ATOM 0 HH12 ARG A 95 11.966 8.237 -3.729 1.00 0.00 H new ATOM 0 HH21 ARG A 95 10.030 11.093 -2.985 1.00 0.00 H new ATOM 0 HH22 ARG A 95 10.676 10.059 -4.263 1.00 0.00 H new ATOM 1525 N ILE A 96 9.728 7.719 3.956 1.00 0.00 N ATOM 1526 CA ILE A 96 8.371 7.215 3.966 1.00 0.00 C ATOM 1527 C ILE A 96 7.727 7.392 5.367 1.00 0.00 C ATOM 1528 O ILE A 96 6.537 7.218 5.553 1.00 0.00 O ATOM 1529 CB ILE A 96 8.363 5.729 3.443 1.00 0.00 C ATOM 1530 CG1 ILE A 96 8.848 5.667 1.974 1.00 0.00 C ATOM 1531 CG2 ILE A 96 7.009 5.046 3.560 1.00 0.00 C ATOM 1532 CD1 ILE A 96 8.012 6.474 0.987 1.00 0.00 C ATOM 0 H ILE A 96 10.433 6.982 3.936 1.00 0.00 H new ATOM 0 HA ILE A 96 7.747 7.795 3.286 1.00 0.00 H new ATOM 0 HB ILE A 96 9.049 5.184 4.091 1.00 0.00 H new ATOM 0 HG12 ILE A 96 9.878 6.023 1.931 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.857 4.625 1.653 1.00 0.00 H new ATOM 0 HG21 ILE A 96 7.082 4.027 3.181 1.00 0.00 H new ATOM 0 HG22 ILE A 96 6.702 5.023 4.606 1.00 0.00 H new ATOM 0 HG23 ILE A 96 6.271 5.598 2.978 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.429 6.369 -0.014 1.00 0.00 H new ATOM 0 HD12 ILE A 96 6.986 6.106 0.993 1.00 0.00 H new ATOM 0 HD13 ILE A 96 8.022 7.525 1.276 1.00 0.00 H new ATOM 1544 N LEU A 97 8.530 7.753 6.339 1.00 0.00 N ATOM 1545 CA LEU A 97 8.044 8.027 7.677 1.00 0.00 C ATOM 1546 C LEU A 97 7.500 9.448 7.688 1.00 0.00 C ATOM 1547 O LEU A 97 6.541 9.764 8.380 1.00 0.00 O ATOM 1548 CB LEU A 97 9.181 7.867 8.701 1.00 0.00 C ATOM 1549 CG LEU A 97 8.826 8.096 10.174 1.00 0.00 C ATOM 1550 CD1 LEU A 97 7.787 7.089 10.646 1.00 0.00 C ATOM 1551 CD2 LEU A 97 10.077 8.015 11.033 1.00 0.00 C ATOM 0 H LEU A 97 9.538 7.866 6.229 1.00 0.00 H new ATOM 0 HA LEU A 97 7.258 7.324 7.951 1.00 0.00 H new ATOM 0 HB2 LEU A 97 9.587 6.860 8.603 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.979 8.560 8.433 1.00 0.00 H new ATOM 0 HG LEU A 97 8.397 9.093 10.273 1.00 0.00 H new ATOM 0 HD11 LEU A 97 7.552 7.273 11.694 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.882 7.193 10.048 1.00 0.00 H new ATOM 0 HD13 LEU A 97 8.182 6.079 10.534 1.00 0.00 H new ATOM 0 HD21 LEU A 97 9.812 8.179 12.078 1.00 0.00 H new ATOM 0 HD22 LEU A 97 10.530 7.030 10.924 1.00 0.00 H new ATOM 0 HD23 LEU A 97 10.787 8.778 10.714 1.00 0.00 H new ATOM 1563 N GLU A 98 8.106 10.279 6.868 1.00 0.00 N ATOM 1564 CA GLU A 98 7.704 11.658 6.692 1.00 0.00 C ATOM 1565 C GLU A 98 6.468 11.676 5.805 1.00 0.00 C ATOM 1566 O GLU A 98 5.548 12.471 5.979 1.00 0.00 O ATOM 1567 CB GLU A 98 8.856 12.410 6.010 1.00 0.00 C ATOM 1568 CG GLU A 98 8.645 13.900 5.813 1.00 0.00 C ATOM 1569 CD GLU A 98 8.366 14.639 7.098 1.00 0.00 C ATOM 1570 OE1 GLU A 98 9.292 14.845 7.907 1.00 0.00 O ATOM 1571 OE2 GLU A 98 7.219 15.081 7.297 1.00 0.00 O ATOM 0 H GLU A 98 8.906 10.011 6.295 1.00 0.00 H new ATOM 0 HA GLU A 98 7.477 12.134 7.646 1.00 0.00 H new ATOM 0 HB2 GLU A 98 9.760 12.265 6.601 1.00 0.00 H new ATOM 0 HB3 GLU A 98 9.036 11.955 5.036 1.00 0.00 H new ATOM 0 HG2 GLU A 98 9.531 14.326 5.342 1.00 0.00 H new ATOM 0 HG3 GLU A 98 7.813 14.054 5.126 1.00 0.00 H new ATOM 1578 N VAL A 99 6.449 10.749 4.891 1.00 0.00 N ATOM 1579 CA VAL A 99 5.391 10.586 3.921 1.00 0.00 C ATOM 1580 C VAL A 99 4.460 9.430 4.392 1.00 0.00 C ATOM 1581 O VAL A 99 3.815 8.759 3.614 1.00 0.00 O ATOM 1582 CB VAL A 99 6.040 10.286 2.517 1.00 0.00 C ATOM 1583 CG1 VAL A 99 5.004 10.206 1.394 1.00 0.00 C ATOM 1584 CG2 VAL A 99 7.066 11.358 2.171 1.00 0.00 C ATOM 0 H VAL A 99 7.194 10.059 4.793 1.00 0.00 H new ATOM 0 HA VAL A 99 4.789 11.490 3.830 1.00 0.00 H new ATOM 0 HB VAL A 99 6.521 9.311 2.598 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.507 9.997 0.450 1.00 0.00 H new ATOM 0 HG12 VAL A 99 4.293 9.408 1.611 1.00 0.00 H new ATOM 0 HG13 VAL A 99 4.473 11.155 1.321 1.00 0.00 H new ATOM 0 HG21 VAL A 99 7.507 11.139 1.199 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.577 12.332 2.137 1.00 0.00 H new ATOM 0 HG23 VAL A 99 7.849 11.371 2.930 1.00 0.00 H new ATOM 1594 N ALA A 100 4.379 9.257 5.712 1.00 0.00 N ATOM 1595 CA ALA A 100 3.540 8.212 6.316 1.00 0.00 C ATOM 1596 C ALA A 100 2.059 8.501 6.125 1.00 0.00 C ATOM 1597 O ALA A 100 1.222 7.603 6.224 1.00 0.00 O ATOM 1598 CB ALA A 100 3.859 8.042 7.792 1.00 0.00 C ATOM 0 H ALA A 100 4.885 9.828 6.389 1.00 0.00 H new ATOM 0 HA ALA A 100 3.768 7.279 5.802 1.00 0.00 H new ATOM 0 HB1 ALA A 100 3.224 7.263 8.214 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.905 7.760 7.908 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.677 8.981 8.314 1.00 0.00 H new ATOM 1604 N GLU A 101 1.756 9.751 5.870 1.00 0.00 N ATOM 1605 CA GLU A 101 0.405 10.195 5.619 1.00 0.00 C ATOM 1606 C GLU A 101 0.344 11.235 4.494 1.00 0.00 C ATOM 1607 O GLU A 101 -0.278 10.982 3.473 1.00 0.00 O ATOM 1608 CB GLU A 101 -0.323 10.722 6.885 1.00 0.00 C ATOM 1609 CG GLU A 101 -0.609 9.689 7.950 1.00 0.00 C ATOM 1610 CD GLU A 101 -1.296 10.291 9.144 1.00 0.00 C ATOM 1611 OE1 GLU A 101 -2.508 10.585 9.066 1.00 0.00 O ATOM 1612 OE2 GLU A 101 -0.645 10.472 10.196 1.00 0.00 O ATOM 0 H GLU A 101 2.449 10.498 5.830 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.132 9.302 5.298 1.00 0.00 H new ATOM 0 HB2 GLU A 101 0.281 11.515 7.326 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.267 11.173 6.578 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.233 8.899 7.532 1.00 0.00 H new ATOM 0 HG3 GLU A 101 0.325 9.224 8.265 1.00 0.00 H new ATOM 1619 N PRO A 102 1.026 12.405 4.606 1.00 0.00 N ATOM 1620 CA PRO A 102 0.917 13.431 3.612 1.00 0.00 C ATOM 1621 C PRO A 102 1.957 13.324 2.496 1.00 0.00 C ATOM 1622 O PRO A 102 3.072 13.868 2.629 1.00 0.00 O ATOM 1623 CB PRO A 102 1.076 14.707 4.437 1.00 0.00 C ATOM 1624 CG PRO A 102 1.864 14.313 5.662 1.00 0.00 C ATOM 1625 CD PRO A 102 1.990 12.812 5.647 1.00 0.00 C ATOM 1626 OXT PRO A 102 1.646 12.732 1.456 1.00 0.00 O ATOM 0 HA PRO A 102 -0.022 13.377 3.062 1.00 0.00 H new ATOM 0 HB2 PRO A 102 1.597 15.477 3.868 1.00 0.00 H new ATOM 0 HB3 PRO A 102 0.105 15.117 4.713 1.00 0.00 H new ATOM 0 HG2 PRO A 102 2.848 14.782 5.654 1.00 0.00 H new ATOM 0 HG3 PRO A 102 1.359 14.648 6.568 1.00 0.00 H new ATOM 0 HD2 PRO A 102 3.004 12.495 5.403 1.00 0.00 H new ATOM 0 HD3 PRO A 102 1.744 12.377 6.616 1.00 0.00 H new