USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 440 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 24 ASN : amide:sc= -9.81! C(o=-11!,f=-22!) USER MOD Set 1.2: A 31 GLN : amide:sc= -1.39 K(o=-11,f=-9.2) USER MOD Single : A 1 ARG N :NH3+ -110:sc= 0.103 (180deg=-0.235) USER MOD Single : A 10 TYR OH : rot 165:sc= -0.0656 USER MOD Single : A 11 THR OG1 : rot -68:sc= 0.75 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 148:sc= -0.104 (180deg=-1.15) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0775 USER MOD Single : A 35 TYR OH : rot -155:sc= -4.91! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -3.4! C(o=-3.4!,f=-8.8!) USER MOD Single : A 44 ASN : amide:sc= -9.99! C(o=-10!,f=-24!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 156:sc= -0.36 (180deg=-1.18) USER MOD Single : A 54 THR OG1 : rot 95:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 13.927 -5.727 5.665 1.00 0.00 N ATOM 2 CA ARG A 1 12.512 -5.257 5.672 1.00 0.00 C ATOM 3 C ARG A 1 11.564 -6.438 5.434 1.00 0.00 C ATOM 4 O ARG A 1 11.986 -7.493 5.003 1.00 0.00 O ATOM 5 CB ARG A 1 12.431 -4.246 4.524 1.00 0.00 C ATOM 6 CG ARG A 1 12.549 -4.974 3.181 1.00 0.00 C ATOM 7 CD ARG A 1 12.049 -4.060 2.057 1.00 0.00 C ATOM 8 NE ARG A 1 13.085 -4.156 0.992 1.00 0.00 N ATOM 9 CZ ARG A 1 14.271 -3.642 1.182 1.00 0.00 C ATOM 10 NH1 ARG A 1 14.416 -2.597 1.952 1.00 0.00 N ATOM 11 NH2 ARG A 1 15.311 -4.173 0.601 1.00 0.00 N ATOM 0 H1 ARG A 1 14.316 -5.670 6.628 1.00 0.00 H new ATOM 0 H2 ARG A 1 13.964 -6.712 5.334 1.00 0.00 H new ATOM 0 H3 ARG A 1 14.489 -5.127 5.028 1.00 0.00 H new ATOM 0 HA ARG A 1 12.221 -4.812 6.623 1.00 0.00 H new ATOM 0 HB2 ARG A 1 11.487 -3.703 4.572 1.00 0.00 H new ATOM 0 HB3 ARG A 1 13.228 -3.509 4.620 1.00 0.00 H new ATOM 0 HG2 ARG A 1 13.586 -5.258 2.999 1.00 0.00 H new ATOM 0 HG3 ARG A 1 11.966 -5.894 3.202 1.00 0.00 H new ATOM 0 HD2 ARG A 1 11.075 -4.383 1.690 1.00 0.00 H new ATOM 0 HD3 ARG A 1 11.935 -3.033 2.405 1.00 0.00 H new ATOM 0 HE ARG A 1 12.868 -4.624 0.112 1.00 0.00 H new ATOM 0 HH11 ARG A 1 13.603 -2.181 2.406 1.00 0.00 H new ATOM 0 HH12 ARG A 1 15.343 -2.197 2.099 1.00 0.00 H new ATOM 0 HH21 ARG A 1 15.198 -4.989 -0.001 1.00 0.00 H new ATOM 0 HH22 ARG A 1 16.237 -3.773 0.749 1.00 0.00 H new ATOM 27 N PRO A 2 10.309 -6.219 5.722 1.00 0.00 N ATOM 28 CA PRO A 2 9.282 -7.279 5.538 1.00 0.00 C ATOM 29 C PRO A 2 9.122 -7.638 4.062 1.00 0.00 C ATOM 30 O PRO A 2 9.497 -6.889 3.182 1.00 0.00 O ATOM 31 CB PRO A 2 8.008 -6.644 6.090 1.00 0.00 C ATOM 32 CG PRO A 2 8.250 -5.173 5.996 1.00 0.00 C ATOM 33 CD PRO A 2 9.721 -4.979 6.240 1.00 0.00 C ATOM 0 HA PRO A 2 9.541 -8.211 6.040 1.00 0.00 H new ATOM 0 HB2 PRO A 2 7.134 -6.940 5.510 1.00 0.00 H new ATOM 0 HB3 PRO A 2 7.826 -6.951 7.120 1.00 0.00 H new ATOM 0 HG2 PRO A 2 7.963 -4.792 5.016 1.00 0.00 H new ATOM 0 HG3 PRO A 2 7.657 -4.632 6.734 1.00 0.00 H new ATOM 0 HD2 PRO A 2 10.104 -4.102 5.718 1.00 0.00 H new ATOM 0 HD3 PRO A 2 9.939 -4.841 7.299 1.00 0.00 H new ATOM 41 N ASP A 3 8.573 -8.788 3.790 1.00 0.00 N ATOM 42 CA ASP A 3 8.389 -9.211 2.377 1.00 0.00 C ATOM 43 C ASP A 3 7.079 -8.651 1.821 1.00 0.00 C ATOM 44 O ASP A 3 6.901 -8.552 0.623 1.00 0.00 O ATOM 45 CB ASP A 3 8.339 -10.739 2.423 1.00 0.00 C ATOM 46 CG ASP A 3 9.688 -11.309 1.979 1.00 0.00 C ATOM 47 OD1 ASP A 3 9.915 -11.378 0.782 1.00 0.00 O ATOM 48 OD2 ASP A 3 10.470 -11.669 2.843 1.00 0.00 O ATOM 0 H ASP A 3 8.243 -9.454 4.488 1.00 0.00 H new ATOM 0 HA ASP A 3 9.189 -8.847 1.732 1.00 0.00 H new ATOM 0 HB2 ASP A 3 8.105 -11.075 3.433 1.00 0.00 H new ATOM 0 HB3 ASP A 3 7.545 -11.107 1.773 1.00 0.00 H new ATOM 53 N PHE A 4 6.152 -8.288 2.671 1.00 0.00 N ATOM 54 CA PHE A 4 4.865 -7.744 2.146 1.00 0.00 C ATOM 55 C PHE A 4 5.103 -6.408 1.449 1.00 0.00 C ATOM 56 O PHE A 4 4.310 -5.968 0.643 1.00 0.00 O ATOM 57 CB PHE A 4 3.932 -7.586 3.351 1.00 0.00 C ATOM 58 CG PHE A 4 4.397 -6.478 4.276 1.00 0.00 C ATOM 59 CD1 PHE A 4 4.375 -5.135 3.861 1.00 0.00 C ATOM 60 CD2 PHE A 4 4.836 -6.798 5.565 1.00 0.00 C ATOM 61 CE1 PHE A 4 4.796 -4.129 4.734 1.00 0.00 C ATOM 62 CE2 PHE A 4 5.257 -5.787 6.434 1.00 0.00 C ATOM 63 CZ PHE A 4 5.238 -4.454 6.017 1.00 0.00 C ATOM 0 H PHE A 4 6.228 -8.343 3.687 1.00 0.00 H new ATOM 0 HA PHE A 4 4.421 -8.411 1.407 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.922 -7.371 3.004 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.886 -8.525 3.902 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.033 -4.881 2.868 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.850 -7.828 5.890 1.00 0.00 H new ATOM 0 HE1 PHE A 4 4.779 -3.097 4.415 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.597 -6.037 7.428 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.566 -3.674 6.688 1.00 0.00 H new ATOM 73 N CYS A 5 6.198 -5.770 1.737 1.00 0.00 N ATOM 74 CA CYS A 5 6.492 -4.470 1.075 1.00 0.00 C ATOM 75 C CYS A 5 6.844 -4.704 -0.395 1.00 0.00 C ATOM 76 O CYS A 5 6.585 -3.877 -1.247 1.00 0.00 O ATOM 77 CB CYS A 5 7.694 -3.910 1.835 1.00 0.00 C ATOM 78 SG CYS A 5 7.115 -2.985 3.276 1.00 0.00 S ATOM 0 H CYS A 5 6.903 -6.090 2.401 1.00 0.00 H new ATOM 0 HA CYS A 5 5.643 -3.786 1.095 1.00 0.00 H new ATOM 0 HB2 CYS A 5 8.350 -4.722 2.150 1.00 0.00 H new ATOM 0 HB3 CYS A 5 8.280 -3.261 1.184 1.00 0.00 H new ATOM 83 N LEU A 6 7.435 -5.829 -0.699 1.00 0.00 N ATOM 84 CA LEU A 6 7.810 -6.119 -2.114 1.00 0.00 C ATOM 85 C LEU A 6 6.591 -6.615 -2.894 1.00 0.00 C ATOM 86 O LEU A 6 6.585 -6.634 -4.108 1.00 0.00 O ATOM 87 CB LEU A 6 8.873 -7.217 -2.031 1.00 0.00 C ATOM 88 CG LEU A 6 9.922 -6.839 -0.984 1.00 0.00 C ATOM 89 CD1 LEU A 6 10.951 -7.964 -0.864 1.00 0.00 C ATOM 90 CD2 LEU A 6 10.628 -5.549 -1.410 1.00 0.00 C ATOM 0 H LEU A 6 7.674 -6.560 -0.029 1.00 0.00 H new ATOM 0 HA LEU A 6 8.180 -5.233 -2.629 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.409 -8.167 -1.768 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.347 -7.352 -3.003 1.00 0.00 H new ATOM 0 HG LEU A 6 9.434 -6.686 -0.021 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.699 -7.695 -0.118 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.451 -8.884 -0.561 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.438 -8.116 -1.827 1.00 0.00 H new ATOM 0 HD21 LEU A 6 11.375 -5.280 -0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 6 11.115 -5.702 -2.373 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.897 -4.746 -1.497 1.00 0.00 H new ATOM 102 N GLU A 7 5.559 -7.014 -2.205 1.00 0.00 N ATOM 103 CA GLU A 7 4.341 -7.507 -2.911 1.00 0.00 C ATOM 104 C GLU A 7 3.502 -6.324 -3.402 1.00 0.00 C ATOM 105 O GLU A 7 3.667 -5.213 -2.938 1.00 0.00 O ATOM 106 CB GLU A 7 3.575 -8.315 -1.864 1.00 0.00 C ATOM 107 CG GLU A 7 4.134 -9.739 -1.811 1.00 0.00 C ATOM 108 CD GLU A 7 3.810 -10.366 -0.453 1.00 0.00 C ATOM 109 OE1 GLU A 7 2.641 -10.412 -0.109 1.00 0.00 O ATOM 110 OE2 GLU A 7 4.737 -10.788 0.218 1.00 0.00 O ATOM 0 H GLU A 7 5.505 -7.021 -1.186 1.00 0.00 H new ATOM 0 HA GLU A 7 4.584 -8.108 -3.787 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.664 -7.841 -0.886 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.514 -8.338 -2.112 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.704 -10.340 -2.612 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.213 -9.723 -1.968 1.00 0.00 H new ATOM 117 N PRO A 8 2.628 -6.604 -4.330 1.00 0.00 N ATOM 118 CA PRO A 8 1.753 -5.547 -4.894 1.00 0.00 C ATOM 119 C PRO A 8 0.707 -5.114 -3.864 1.00 0.00 C ATOM 120 O PRO A 8 0.558 -5.733 -2.829 1.00 0.00 O ATOM 121 CB PRO A 8 1.093 -6.229 -6.091 1.00 0.00 C ATOM 122 CG PRO A 8 1.140 -7.690 -5.776 1.00 0.00 C ATOM 123 CD PRO A 8 2.371 -7.916 -4.936 1.00 0.00 C ATOM 0 HA PRO A 8 2.295 -4.643 -5.172 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.067 -5.887 -6.224 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.626 -6.007 -7.016 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.243 -7.998 -5.238 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.182 -8.281 -6.691 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.203 -8.681 -4.178 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.214 -8.248 -5.542 1.00 0.00 H new ATOM 131 N PRO A 9 0.013 -4.058 -4.189 1.00 0.00 N ATOM 132 CA PRO A 9 -1.035 -3.525 -3.286 1.00 0.00 C ATOM 133 C PRO A 9 -2.257 -4.450 -3.273 1.00 0.00 C ATOM 134 O PRO A 9 -2.343 -5.392 -4.033 1.00 0.00 O ATOM 135 CB PRO A 9 -1.370 -2.164 -3.889 1.00 0.00 C ATOM 136 CG PRO A 9 -0.980 -2.265 -5.330 1.00 0.00 C ATOM 137 CD PRO A 9 0.139 -3.270 -5.419 1.00 0.00 C ATOM 0 HA PRO A 9 -0.712 -3.451 -2.248 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.431 -1.937 -3.783 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.822 -1.366 -3.388 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.829 -2.579 -5.937 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.658 -1.296 -5.710 1.00 0.00 H new ATOM 0 HD2 PRO A 9 0.042 -3.897 -6.305 1.00 0.00 H new ATOM 0 HD3 PRO A 9 1.111 -2.780 -5.480 1.00 0.00 H new ATOM 145 N TYR A 10 -3.196 -4.194 -2.402 1.00 0.00 N ATOM 146 CA TYR A 10 -4.410 -5.063 -2.325 1.00 0.00 C ATOM 147 C TYR A 10 -5.679 -4.217 -2.326 1.00 0.00 C ATOM 148 O TYR A 10 -6.145 -3.775 -1.294 1.00 0.00 O ATOM 149 CB TYR A 10 -4.267 -5.812 -0.998 1.00 0.00 C ATOM 150 CG TYR A 10 -5.264 -6.946 -0.941 1.00 0.00 C ATOM 151 CD1 TYR A 10 -5.310 -7.894 -1.971 1.00 0.00 C ATOM 152 CD2 TYR A 10 -6.142 -7.051 0.145 1.00 0.00 C ATOM 153 CE1 TYR A 10 -6.233 -8.945 -1.915 1.00 0.00 C ATOM 154 CE2 TYR A 10 -7.065 -8.102 0.201 1.00 0.00 C ATOM 155 CZ TYR A 10 -7.110 -9.048 -0.828 1.00 0.00 C ATOM 156 OH TYR A 10 -8.021 -10.085 -0.773 1.00 0.00 O ATOM 0 H TYR A 10 -3.176 -3.420 -1.739 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.487 -5.739 -3.177 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -3.254 -6.201 -0.897 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.431 -5.129 -0.165 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.633 -7.814 -2.809 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.107 -6.321 0.940 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.269 -9.676 -2.709 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -7.742 -8.182 1.039 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.382 -10.155 0.135 1.00 0.00 H new ATOM 166 N THR A 11 -6.257 -4.013 -3.475 1.00 0.00 N ATOM 167 CA THR A 11 -7.514 -3.225 -3.535 1.00 0.00 C ATOM 168 C THR A 11 -8.497 -3.818 -2.528 1.00 0.00 C ATOM 169 O THR A 11 -9.408 -3.161 -2.064 1.00 0.00 O ATOM 170 CB THR A 11 -8.023 -3.388 -4.974 1.00 0.00 C ATOM 171 OG1 THR A 11 -7.384 -2.432 -5.809 1.00 0.00 O ATOM 172 CG2 THR A 11 -9.537 -3.168 -5.021 1.00 0.00 C ATOM 0 H THR A 11 -5.914 -4.357 -4.372 1.00 0.00 H new ATOM 0 HA THR A 11 -7.382 -2.171 -3.291 1.00 0.00 H new ATOM 0 HB THR A 11 -7.796 -4.396 -5.323 1.00 0.00 H new ATOM 0 HG1 THR A 11 -7.693 -1.533 -5.572 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.890 -3.285 -6.046 1.00 0.00 H new ATOM 0 HG22 THR A 11 -10.031 -3.899 -4.381 1.00 0.00 H new ATOM 0 HG23 THR A 11 -9.770 -2.163 -4.670 1.00 0.00 H new ATOM 180 N GLY A 12 -8.306 -5.065 -2.186 1.00 0.00 N ATOM 181 CA GLY A 12 -9.217 -5.719 -1.206 1.00 0.00 C ATOM 182 C GLY A 12 -10.572 -5.989 -1.863 1.00 0.00 C ATOM 183 O GLY A 12 -10.981 -5.279 -2.760 1.00 0.00 O ATOM 0 H GLY A 12 -7.557 -5.658 -2.544 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.779 -6.654 -0.855 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.346 -5.080 -0.332 1.00 0.00 H new ATOM 187 N PRO A 13 -11.224 -7.014 -1.387 1.00 0.00 N ATOM 188 CA PRO A 13 -12.551 -7.393 -1.929 1.00 0.00 C ATOM 189 C PRO A 13 -13.618 -6.407 -1.452 1.00 0.00 C ATOM 190 O PRO A 13 -14.187 -6.556 -0.389 1.00 0.00 O ATOM 191 CB PRO A 13 -12.794 -8.781 -1.345 1.00 0.00 C ATOM 192 CG PRO A 13 -11.965 -8.831 -0.100 1.00 0.00 C ATOM 193 CD PRO A 13 -10.790 -7.909 -0.309 1.00 0.00 C ATOM 0 HA PRO A 13 -12.590 -7.383 -3.018 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -13.850 -8.936 -1.122 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -12.499 -9.561 -2.047 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -12.550 -8.518 0.765 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -11.626 -9.848 0.096 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -10.553 -7.354 0.599 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -9.893 -8.463 -0.588 1.00 0.00 H new ATOM 201 N CYS A 14 -13.891 -5.396 -2.229 1.00 0.00 N ATOM 202 CA CYS A 14 -14.917 -4.395 -1.820 1.00 0.00 C ATOM 203 C CYS A 14 -15.508 -3.715 -3.059 1.00 0.00 C ATOM 204 O CYS A 14 -15.371 -4.197 -4.167 1.00 0.00 O ATOM 205 CB CYS A 14 -14.155 -3.382 -0.966 1.00 0.00 C ATOM 206 SG CYS A 14 -14.161 -3.917 0.765 1.00 0.00 S ATOM 0 H CYS A 14 -13.448 -5.219 -3.130 1.00 0.00 H new ATOM 0 HA CYS A 14 -15.747 -4.846 -1.276 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -13.130 -3.288 -1.324 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -14.615 -2.398 -1.054 1.00 0.00 H new ATOM 211 N LYS A 15 -16.158 -2.599 -2.881 1.00 0.00 N ATOM 212 CA LYS A 15 -16.751 -1.887 -4.054 1.00 0.00 C ATOM 213 C LYS A 15 -16.292 -0.427 -4.073 1.00 0.00 C ATOM 214 O LYS A 15 -16.550 0.301 -5.011 1.00 0.00 O ATOM 215 CB LYS A 15 -18.280 -1.967 -3.888 1.00 0.00 C ATOM 216 CG LYS A 15 -18.665 -2.124 -2.413 1.00 0.00 C ATOM 217 CD LYS A 15 -18.611 -3.603 -2.024 1.00 0.00 C ATOM 218 CE LYS A 15 -19.448 -3.831 -0.765 1.00 0.00 C ATOM 219 NZ LYS A 15 -18.463 -4.199 0.290 1.00 0.00 N ATOM 0 H LYS A 15 -16.306 -2.148 -1.978 1.00 0.00 H new ATOM 0 HA LYS A 15 -16.435 -2.341 -4.993 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -18.741 -1.067 -4.294 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -18.668 -2.810 -4.460 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -17.985 -1.547 -1.786 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -19.667 -1.729 -2.244 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -18.988 -4.219 -2.841 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -17.579 -3.906 -1.847 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -20.003 -2.933 -0.492 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -20.180 -4.624 -0.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -18.962 -4.371 1.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -17.955 -5.061 0.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -17.783 -3.422 0.416 1.00 0.00 H new ATOM 233 N ALA A 16 -15.609 0.007 -3.048 1.00 0.00 N ATOM 234 CA ALA A 16 -15.130 1.420 -3.016 1.00 0.00 C ATOM 235 C ALA A 16 -13.822 1.541 -3.800 1.00 0.00 C ATOM 236 O ALA A 16 -13.351 0.585 -4.387 1.00 0.00 O ATOM 237 CB ALA A 16 -14.903 1.732 -1.536 1.00 0.00 C ATOM 0 H ALA A 16 -15.362 -0.554 -2.233 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.841 2.112 -3.468 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -14.549 2.757 -1.431 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.840 1.614 -0.991 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.159 1.047 -1.130 1.00 0.00 H new ATOM 243 N ARG A 17 -13.228 2.702 -3.821 1.00 0.00 N ATOM 244 CA ARG A 17 -11.954 2.866 -4.576 1.00 0.00 C ATOM 245 C ARG A 17 -11.131 4.024 -4.003 1.00 0.00 C ATOM 246 O ARG A 17 -11.065 5.093 -4.577 1.00 0.00 O ATOM 247 CB ARG A 17 -12.382 3.170 -6.013 1.00 0.00 C ATOM 248 CG ARG A 17 -12.531 1.859 -6.789 1.00 0.00 C ATOM 249 CD ARG A 17 -12.367 2.129 -8.286 1.00 0.00 C ATOM 250 NE ARG A 17 -13.461 3.080 -8.629 1.00 0.00 N ATOM 251 CZ ARG A 17 -13.221 4.094 -9.415 1.00 0.00 C ATOM 252 NH1 ARG A 17 -13.311 3.951 -10.709 1.00 0.00 N ATOM 253 NH2 ARG A 17 -12.892 5.249 -8.907 1.00 0.00 N ATOM 0 H ARG A 17 -13.568 3.541 -3.350 1.00 0.00 H new ATOM 0 HA ARG A 17 -11.325 1.978 -4.514 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -13.326 3.716 -6.015 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.643 3.809 -6.496 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -11.784 1.139 -6.455 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -13.508 1.418 -6.593 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -11.389 2.557 -8.505 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.449 1.209 -8.864 1.00 0.00 H new ATOM 0 HE ARG A 17 -14.397 2.939 -8.250 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -13.569 3.047 -11.106 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -13.124 4.743 -11.324 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -12.822 5.360 -7.895 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -12.704 6.041 -9.521 1.00 0.00 H new ATOM 267 N ILE A 18 -10.492 3.816 -2.884 1.00 0.00 N ATOM 268 CA ILE A 18 -9.665 4.904 -2.289 1.00 0.00 C ATOM 269 C ILE A 18 -8.232 4.807 -2.816 1.00 0.00 C ATOM 270 O ILE A 18 -7.837 3.809 -3.384 1.00 0.00 O ATOM 271 CB ILE A 18 -9.711 4.665 -0.778 1.00 0.00 C ATOM 272 CG1 ILE A 18 -11.102 5.030 -0.253 1.00 0.00 C ATOM 273 CG2 ILE A 18 -8.663 5.541 -0.088 1.00 0.00 C ATOM 274 CD1 ILE A 18 -11.116 4.938 1.274 1.00 0.00 C ATOM 0 H ILE A 18 -10.507 2.943 -2.357 1.00 0.00 H new ATOM 0 HA ILE A 18 -10.033 5.898 -2.544 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.501 3.616 -0.568 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -11.368 6.039 -0.569 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.849 4.357 -0.675 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.697 5.370 0.988 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.672 5.288 -0.465 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.873 6.590 -0.295 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -12.107 5.198 1.645 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.870 3.921 1.580 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.381 5.629 1.687 1.00 0.00 H new ATOM 286 N ILE A 19 -7.453 5.839 -2.647 1.00 0.00 N ATOM 287 CA ILE A 19 -6.052 5.802 -3.153 1.00 0.00 C ATOM 288 C ILE A 19 -5.063 5.622 -2.000 1.00 0.00 C ATOM 289 O ILE A 19 -4.620 6.576 -1.393 1.00 0.00 O ATOM 290 CB ILE A 19 -5.845 7.156 -3.832 1.00 0.00 C ATOM 291 CG1 ILE A 19 -6.867 7.320 -4.959 1.00 0.00 C ATOM 292 CG2 ILE A 19 -4.432 7.228 -4.412 1.00 0.00 C ATOM 293 CD1 ILE A 19 -6.830 6.088 -5.867 1.00 0.00 C ATOM 0 H ILE A 19 -7.725 6.705 -2.181 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.886 4.969 -3.835 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.977 7.953 -3.100 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.866 7.448 -4.542 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.646 8.217 -5.537 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.286 8.194 -4.896 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.703 7.110 -3.610 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.298 6.432 -5.144 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.558 6.205 -6.670 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.833 5.981 -6.294 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -7.072 5.199 -5.284 1.00 0.00 H new ATOM 305 N ARG A 20 -4.706 4.403 -1.700 1.00 0.00 N ATOM 306 CA ARG A 20 -3.732 4.163 -0.593 1.00 0.00 C ATOM 307 C ARG A 20 -2.316 4.050 -1.164 1.00 0.00 C ATOM 308 O ARG A 20 -2.113 4.117 -2.361 1.00 0.00 O ATOM 309 CB ARG A 20 -4.161 2.841 0.044 1.00 0.00 C ATOM 310 CG ARG A 20 -5.424 3.057 0.881 1.00 0.00 C ATOM 311 CD ARG A 20 -5.061 3.773 2.184 1.00 0.00 C ATOM 312 NE ARG A 20 -5.987 4.938 2.253 1.00 0.00 N ATOM 313 CZ ARG A 20 -5.549 6.097 2.663 1.00 0.00 C ATOM 314 NH1 ARG A 20 -4.870 6.861 1.853 1.00 0.00 N ATOM 315 NH2 ARG A 20 -5.791 6.491 3.883 1.00 0.00 N ATOM 0 H ARG A 20 -5.045 3.564 -2.171 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.724 4.975 0.135 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.349 2.097 -0.730 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.359 2.452 0.672 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.148 3.648 0.319 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.895 2.099 1.100 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.188 3.116 3.044 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.020 4.096 2.181 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.964 4.830 1.980 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.681 6.553 0.899 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.528 7.767 2.173 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.322 5.893 4.516 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.449 7.397 4.204 1.00 0.00 H new ATOM 329 N TYR A 21 -1.331 3.881 -0.325 1.00 0.00 N ATOM 330 CA TYR A 21 0.067 3.772 -0.837 1.00 0.00 C ATOM 331 C TYR A 21 0.647 2.386 -0.563 1.00 0.00 C ATOM 332 O TYR A 21 0.295 1.725 0.394 1.00 0.00 O ATOM 333 CB TYR A 21 0.859 4.821 -0.060 1.00 0.00 C ATOM 334 CG TYR A 21 0.524 6.196 -0.574 1.00 0.00 C ATOM 335 CD1 TYR A 21 -0.597 6.865 -0.080 1.00 0.00 C ATOM 336 CD2 TYR A 21 1.338 6.801 -1.538 1.00 0.00 C ATOM 337 CE1 TYR A 21 -0.910 8.146 -0.550 1.00 0.00 C ATOM 338 CE2 TYR A 21 1.027 8.082 -2.009 1.00 0.00 C ATOM 339 CZ TYR A 21 -0.097 8.754 -1.514 1.00 0.00 C ATOM 340 OH TYR A 21 -0.404 10.018 -1.978 1.00 0.00 O ATOM 0 H TYR A 21 -1.431 3.814 0.688 1.00 0.00 H new ATOM 0 HA TYR A 21 0.107 3.926 -1.915 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.626 4.753 1.003 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.928 4.634 -0.164 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.222 6.395 0.664 1.00 0.00 H new ATOM 0 HD2 TYR A 21 2.205 6.281 -1.918 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.778 8.665 -0.169 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.653 8.551 -2.753 1.00 0.00 H new ATOM 0 HH TYR A 21 0.262 10.293 -2.642 1.00 0.00 H new ATOM 350 N PHE A 22 1.559 1.959 -1.390 1.00 0.00 N ATOM 351 CA PHE A 22 2.203 0.631 -1.188 1.00 0.00 C ATOM 352 C PHE A 22 3.667 0.720 -1.615 1.00 0.00 C ATOM 353 O PHE A 22 4.035 1.542 -2.430 1.00 0.00 O ATOM 354 CB PHE A 22 1.424 -0.342 -2.070 1.00 0.00 C ATOM 355 CG PHE A 22 1.811 -0.159 -3.518 1.00 0.00 C ATOM 356 CD1 PHE A 22 1.229 0.865 -4.277 1.00 0.00 C ATOM 357 CD2 PHE A 22 2.751 -1.018 -4.103 1.00 0.00 C ATOM 358 CE1 PHE A 22 1.587 1.029 -5.621 1.00 0.00 C ATOM 359 CE2 PHE A 22 3.109 -0.853 -5.447 1.00 0.00 C ATOM 360 CZ PHE A 22 2.529 0.171 -6.206 1.00 0.00 C ATOM 0 H PHE A 22 1.889 2.477 -2.204 1.00 0.00 H new ATOM 0 HA PHE A 22 2.186 0.304 -0.148 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.626 -1.367 -1.759 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.353 -0.177 -1.949 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.505 1.527 -3.826 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.199 -1.807 -3.518 1.00 0.00 H new ATOM 0 HE1 PHE A 22 1.137 1.817 -6.207 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.833 -1.516 -5.898 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.807 0.300 -7.242 1.00 0.00 H new ATOM 370 N TYR A 23 4.507 -0.103 -1.064 1.00 0.00 N ATOM 371 CA TYR A 23 5.957 -0.036 -1.431 1.00 0.00 C ATOM 372 C TYR A 23 6.208 -0.660 -2.805 1.00 0.00 C ATOM 373 O TYR A 23 6.314 -1.863 -2.934 1.00 0.00 O ATOM 374 CB TYR A 23 6.696 -0.845 -0.362 1.00 0.00 C ATOM 375 CG TYR A 23 8.175 -0.852 -0.697 1.00 0.00 C ATOM 376 CD1 TYR A 23 8.843 0.357 -0.925 1.00 0.00 C ATOM 377 CD2 TYR A 23 8.875 -2.060 -0.792 1.00 0.00 C ATOM 378 CE1 TYR A 23 10.204 0.359 -1.249 1.00 0.00 C ATOM 379 CE2 TYR A 23 10.237 -2.058 -1.112 1.00 0.00 C ATOM 380 CZ TYR A 23 10.901 -0.850 -1.341 1.00 0.00 C ATOM 381 OH TYR A 23 12.245 -0.849 -1.658 1.00 0.00 O ATOM 0 H TYR A 23 4.262 -0.818 -0.379 1.00 0.00 H new ATOM 0 HA TYR A 23 6.296 0.999 -1.479 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.533 -0.408 0.623 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.311 -1.864 -0.326 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.306 1.291 -0.851 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.363 -2.995 -0.618 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.716 1.293 -1.428 1.00 0.00 H new ATOM 0 HE2 TYR A 23 10.776 -2.991 -1.182 1.00 0.00 H new ATOM 0 HH TYR A 23 12.577 -1.771 -1.680 1.00 0.00 H new ATOM 391 N ASN A 24 6.339 0.138 -3.833 1.00 0.00 N ATOM 392 CA ASN A 24 6.618 -0.443 -5.174 1.00 0.00 C ATOM 393 C ASN A 24 8.075 -0.882 -5.233 1.00 0.00 C ATOM 394 O ASN A 24 8.890 -0.267 -5.888 1.00 0.00 O ATOM 395 CB ASN A 24 6.366 0.680 -6.179 1.00 0.00 C ATOM 396 CG ASN A 24 6.593 0.152 -7.598 1.00 0.00 C ATOM 397 OD1 ASN A 24 7.330 -0.794 -7.794 1.00 0.00 O ATOM 398 ND2 ASN A 24 5.986 0.725 -8.601 1.00 0.00 N ATOM 0 H ASN A 24 6.265 1.155 -3.801 1.00 0.00 H new ATOM 0 HA ASN A 24 5.992 -1.310 -5.386 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.347 1.053 -6.076 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.034 1.518 -5.980 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.130 0.379 -9.550 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.367 1.519 -8.436 1.00 0.00 H new ATOM 405 N ALA A 25 8.418 -1.932 -4.546 1.00 0.00 N ATOM 406 CA ALA A 25 9.831 -2.392 -4.577 1.00 0.00 C ATOM 407 C ALA A 25 10.308 -2.438 -6.026 1.00 0.00 C ATOM 408 O ALA A 25 11.483 -2.316 -6.310 1.00 0.00 O ATOM 409 CB ALA A 25 9.811 -3.781 -3.943 1.00 0.00 C ATOM 0 H ALA A 25 7.787 -2.488 -3.969 1.00 0.00 H new ATOM 0 HA ALA A 25 10.512 -1.732 -4.040 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.822 -4.189 -3.929 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.434 -3.710 -2.923 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.163 -4.437 -4.524 1.00 0.00 H new ATOM 415 N LYS A 26 9.397 -2.578 -6.949 1.00 0.00 N ATOM 416 CA LYS A 26 9.791 -2.592 -8.382 1.00 0.00 C ATOM 417 C LYS A 26 10.230 -1.183 -8.782 1.00 0.00 C ATOM 418 O LYS A 26 11.091 -1.000 -9.620 1.00 0.00 O ATOM 419 CB LYS A 26 8.529 -3.005 -9.141 1.00 0.00 C ATOM 420 CG LYS A 26 8.773 -4.340 -9.849 1.00 0.00 C ATOM 421 CD LYS A 26 7.537 -4.718 -10.666 1.00 0.00 C ATOM 422 CE LYS A 26 7.443 -3.815 -11.898 1.00 0.00 C ATOM 423 NZ LYS A 26 8.588 -4.222 -12.759 1.00 0.00 N ATOM 0 H LYS A 26 8.398 -2.683 -6.771 1.00 0.00 H new ATOM 0 HA LYS A 26 10.617 -3.271 -8.594 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.690 -3.095 -8.451 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.262 -2.239 -9.869 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.643 -4.264 -10.501 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.990 -5.118 -9.117 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.596 -5.763 -10.971 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.639 -4.614 -10.056 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.493 -3.949 -12.415 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.510 -2.763 -11.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.330 -4.101 -13.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.415 -3.630 -12.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.820 -5.220 -12.580 1.00 0.00 H new ATOM 437 N ALA A 27 9.649 -0.183 -8.170 1.00 0.00 N ATOM 438 CA ALA A 27 10.035 1.221 -8.491 1.00 0.00 C ATOM 439 C ALA A 27 11.142 1.680 -7.537 1.00 0.00 C ATOM 440 O ALA A 27 11.883 2.599 -7.825 1.00 0.00 O ATOM 441 CB ALA A 27 8.764 2.043 -8.276 1.00 0.00 C ATOM 0 H ALA A 27 8.923 -0.280 -7.461 1.00 0.00 H new ATOM 0 HA ALA A 27 10.416 1.329 -9.506 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.968 3.092 -8.493 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.980 1.681 -8.941 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.437 1.944 -7.241 1.00 0.00 H new ATOM 447 N GLY A 28 11.260 1.041 -6.403 1.00 0.00 N ATOM 448 CA GLY A 28 12.320 1.428 -5.428 1.00 0.00 C ATOM 449 C GLY A 28 11.750 2.395 -4.389 1.00 0.00 C ATOM 450 O GLY A 28 12.466 2.911 -3.554 1.00 0.00 O ATOM 0 H GLY A 28 10.666 0.266 -6.110 1.00 0.00 H new ATOM 0 HA2 GLY A 28 12.712 0.539 -4.933 1.00 0.00 H new ATOM 0 HA3 GLY A 28 13.154 1.895 -5.952 1.00 0.00 H new ATOM 454 N LEU A 29 10.473 2.648 -4.428 1.00 0.00 N ATOM 455 CA LEU A 29 9.874 3.580 -3.438 1.00 0.00 C ATOM 456 C LEU A 29 8.419 3.194 -3.182 1.00 0.00 C ATOM 457 O LEU A 29 8.074 2.028 -3.146 1.00 0.00 O ATOM 458 CB LEU A 29 9.966 4.963 -4.085 1.00 0.00 C ATOM 459 CG LEU A 29 9.134 4.986 -5.369 1.00 0.00 C ATOM 460 CD1 LEU A 29 8.199 6.196 -5.350 1.00 0.00 C ATOM 461 CD2 LEU A 29 10.067 5.083 -6.578 1.00 0.00 C ATOM 0 H LEU A 29 9.819 2.250 -5.102 1.00 0.00 H new ATOM 0 HA LEU A 29 10.385 3.555 -2.476 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.606 5.724 -3.393 1.00 0.00 H new ATOM 0 HB3 LEU A 29 11.006 5.202 -4.309 1.00 0.00 H new ATOM 0 HG LEU A 29 8.544 4.072 -5.436 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.606 6.212 -6.265 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.535 6.129 -4.488 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.789 7.110 -5.283 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.476 5.099 -7.494 1.00 0.00 H new ATOM 0 HD22 LEU A 29 10.656 5.997 -6.510 1.00 0.00 H new ATOM 0 HD23 LEU A 29 10.734 4.221 -6.593 1.00 0.00 H new ATOM 473 N CYS A 30 7.566 4.159 -3.011 1.00 0.00 N ATOM 474 CA CYS A 30 6.131 3.849 -2.759 1.00 0.00 C ATOM 475 C CYS A 30 5.246 4.566 -3.777 1.00 0.00 C ATOM 476 O CYS A 30 5.549 5.651 -4.230 1.00 0.00 O ATOM 477 CB CYS A 30 5.845 4.371 -1.353 1.00 0.00 C ATOM 478 SG CYS A 30 6.815 3.432 -0.148 1.00 0.00 S ATOM 0 H CYS A 30 7.798 5.152 -3.034 1.00 0.00 H new ATOM 0 HA CYS A 30 5.925 2.782 -2.848 1.00 0.00 H new ATOM 0 HB2 CYS A 30 6.094 5.430 -1.290 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.782 4.280 -1.130 1.00 0.00 H new ATOM 483 N GLN A 31 4.146 3.966 -4.128 1.00 0.00 N ATOM 484 CA GLN A 31 3.223 4.605 -5.104 1.00 0.00 C ATOM 485 C GLN A 31 1.786 4.461 -4.607 1.00 0.00 C ATOM 486 O GLN A 31 1.536 3.871 -3.574 1.00 0.00 O ATOM 487 CB GLN A 31 3.429 3.841 -6.413 1.00 0.00 C ATOM 488 CG GLN A 31 4.640 4.417 -7.152 1.00 0.00 C ATOM 489 CD GLN A 31 4.599 3.983 -8.619 1.00 0.00 C ATOM 490 OE1 GLN A 31 3.566 4.048 -9.254 1.00 0.00 O ATOM 491 NE2 GLN A 31 5.689 3.545 -9.188 1.00 0.00 N ATOM 0 H GLN A 31 3.845 3.056 -3.779 1.00 0.00 H new ATOM 0 HA GLN A 31 3.416 5.670 -5.235 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.584 2.782 -6.208 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.538 3.918 -7.036 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.637 5.505 -7.084 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.562 4.071 -6.685 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.556 3.491 -8.654 1.00 0.00 H new ATOM 0 HE22 GLN A 31 5.673 3.257 -10.166 1.00 0.00 H new ATOM 500 N THR A 32 0.838 4.997 -5.317 1.00 0.00 N ATOM 501 CA THR A 32 -0.571 4.884 -4.856 1.00 0.00 C ATOM 502 C THR A 32 -1.308 3.800 -5.639 1.00 0.00 C ATOM 503 O THR A 32 -1.094 3.614 -6.820 1.00 0.00 O ATOM 504 CB THR A 32 -1.187 6.254 -5.130 1.00 0.00 C ATOM 505 OG1 THR A 32 -0.659 6.773 -6.342 1.00 0.00 O ATOM 506 CG2 THR A 32 -0.856 7.202 -3.978 1.00 0.00 C ATOM 0 H THR A 32 0.975 5.505 -6.191 1.00 0.00 H new ATOM 0 HA THR A 32 -0.636 4.608 -3.804 1.00 0.00 H new ATOM 0 HB THR A 32 -2.269 6.157 -5.217 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.054 7.652 -6.521 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.296 8.180 -4.174 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.261 6.801 -3.049 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.226 7.302 -3.888 1.00 0.00 H new ATOM 514 N PHE A 33 -2.187 3.096 -4.985 1.00 0.00 N ATOM 515 CA PHE A 33 -2.962 2.031 -5.682 1.00 0.00 C ATOM 516 C PHE A 33 -4.441 2.166 -5.325 1.00 0.00 C ATOM 517 O PHE A 33 -4.802 2.840 -4.379 1.00 0.00 O ATOM 518 CB PHE A 33 -2.382 0.704 -5.185 1.00 0.00 C ATOM 519 CG PHE A 33 -2.876 0.403 -3.789 1.00 0.00 C ATOM 520 CD1 PHE A 33 -4.058 -0.325 -3.611 1.00 0.00 C ATOM 521 CD2 PHE A 33 -2.147 0.838 -2.675 1.00 0.00 C ATOM 522 CE1 PHE A 33 -4.513 -0.615 -2.319 1.00 0.00 C ATOM 523 CE2 PHE A 33 -2.604 0.550 -1.385 1.00 0.00 C ATOM 524 CZ PHE A 33 -3.787 -0.176 -1.207 1.00 0.00 C ATOM 0 H PHE A 33 -2.404 3.212 -3.995 1.00 0.00 H new ATOM 0 HA PHE A 33 -2.889 2.098 -6.767 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.669 -0.102 -5.861 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.293 0.751 -5.190 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -4.619 -0.663 -4.470 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.232 1.396 -2.812 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -5.424 -1.178 -2.181 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.044 0.888 -0.526 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.140 -0.397 -0.210 1.00 0.00 H new ATOM 534 N VAL A 34 -5.302 1.557 -6.086 1.00 0.00 N ATOM 535 CA VAL A 34 -6.761 1.680 -5.802 1.00 0.00 C ATOM 536 C VAL A 34 -7.163 0.825 -4.599 1.00 0.00 C ATOM 537 O VAL A 34 -7.411 -0.358 -4.720 1.00 0.00 O ATOM 538 CB VAL A 34 -7.456 1.186 -7.069 1.00 0.00 C ATOM 539 CG1 VAL A 34 -8.972 1.240 -6.871 1.00 0.00 C ATOM 540 CG2 VAL A 34 -7.065 2.083 -8.245 1.00 0.00 C ATOM 0 H VAL A 34 -5.062 0.980 -6.892 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.037 2.705 -5.554 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.152 0.160 -7.276 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.470 0.888 -7.774 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.252 0.604 -6.031 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.276 2.267 -6.666 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.560 1.732 -9.151 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.371 3.108 -8.038 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.985 2.048 -8.385 1.00 0.00 H new ATOM 550 N TYR A 35 -7.247 1.421 -3.442 1.00 0.00 N ATOM 551 CA TYR A 35 -7.649 0.647 -2.234 1.00 0.00 C ATOM 552 C TYR A 35 -9.173 0.481 -2.213 1.00 0.00 C ATOM 553 O TYR A 35 -9.905 1.349 -2.644 1.00 0.00 O ATOM 554 CB TYR A 35 -7.184 1.493 -1.048 1.00 0.00 C ATOM 555 CG TYR A 35 -7.652 0.857 0.238 1.00 0.00 C ATOM 556 CD1 TYR A 35 -7.595 -0.534 0.393 1.00 0.00 C ATOM 557 CD2 TYR A 35 -8.149 1.657 1.275 1.00 0.00 C ATOM 558 CE1 TYR A 35 -8.037 -1.124 1.585 1.00 0.00 C ATOM 559 CE2 TYR A 35 -8.588 1.066 2.467 1.00 0.00 C ATOM 560 CZ TYR A 35 -8.533 -0.324 2.622 1.00 0.00 C ATOM 561 OH TYR A 35 -8.969 -0.905 3.795 1.00 0.00 O ATOM 0 H TYR A 35 -7.055 2.410 -3.281 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.214 -0.352 -2.212 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.097 1.576 -1.051 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.581 2.505 -1.131 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.211 -1.151 -0.405 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.194 2.729 1.156 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -7.995 -2.197 1.704 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.969 1.683 3.267 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.622 -0.317 4.228 1.00 0.00 H new ATOM 571 N GLY A 36 -9.658 -0.629 -1.726 1.00 0.00 N ATOM 572 CA GLY A 36 -11.133 -0.842 -1.690 1.00 0.00 C ATOM 573 C GLY A 36 -11.726 -0.176 -0.446 1.00 0.00 C ATOM 574 O GLY A 36 -12.914 -0.256 -0.203 1.00 0.00 O ATOM 0 H GLY A 36 -9.098 -1.396 -1.352 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -11.591 -0.428 -2.588 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.355 -1.909 -1.682 1.00 0.00 H new ATOM 578 N ALA A 37 -10.903 0.471 0.347 1.00 0.00 N ATOM 579 CA ALA A 37 -11.394 1.149 1.595 1.00 0.00 C ATOM 580 C ALA A 37 -11.585 0.132 2.731 1.00 0.00 C ATOM 581 O ALA A 37 -11.486 0.467 3.895 1.00 0.00 O ATOM 582 CB ALA A 37 -12.727 1.808 1.229 1.00 0.00 C ATOM 0 H ALA A 37 -9.900 0.560 0.182 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.674 1.885 1.951 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -13.132 2.318 2.103 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.568 2.530 0.428 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.431 1.045 0.895 1.00 0.00 H new ATOM 588 N CYS A 38 -11.852 -1.106 2.408 1.00 0.00 N ATOM 589 CA CYS A 38 -12.041 -2.136 3.472 1.00 0.00 C ATOM 590 C CYS A 38 -11.125 -3.332 3.200 1.00 0.00 C ATOM 591 O CYS A 38 -10.526 -3.440 2.149 1.00 0.00 O ATOM 592 CB CYS A 38 -13.522 -2.570 3.418 1.00 0.00 C ATOM 593 SG CYS A 38 -14.274 -2.190 1.807 1.00 0.00 S ATOM 0 H CYS A 38 -11.947 -1.449 1.452 1.00 0.00 H new ATOM 0 HA CYS A 38 -11.792 -1.740 4.456 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -13.595 -3.640 3.611 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -14.078 -2.065 4.208 1.00 0.00 H new ATOM 598 N ARG A 39 -11.012 -4.229 4.142 1.00 0.00 N ATOM 599 CA ARG A 39 -10.135 -5.419 3.944 1.00 0.00 C ATOM 600 C ARG A 39 -8.701 -4.980 3.633 1.00 0.00 C ATOM 601 O ARG A 39 -7.992 -5.629 2.887 1.00 0.00 O ATOM 602 CB ARG A 39 -10.738 -6.170 2.755 1.00 0.00 C ATOM 603 CG ARG A 39 -12.051 -6.828 3.182 1.00 0.00 C ATOM 604 CD ARG A 39 -11.767 -8.229 3.727 1.00 0.00 C ATOM 605 NE ARG A 39 -12.978 -8.586 4.515 1.00 0.00 N ATOM 606 CZ ARG A 39 -12.951 -9.609 5.325 1.00 0.00 C ATOM 607 NH1 ARG A 39 -12.352 -9.513 6.480 1.00 0.00 N ATOM 608 NH2 ARG A 39 -13.526 -10.729 4.980 1.00 0.00 N ATOM 0 H ARG A 39 -11.490 -4.189 5.042 1.00 0.00 H new ATOM 0 HA ARG A 39 -10.087 -6.044 4.836 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.915 -5.482 1.928 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.040 -6.926 2.396 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -12.542 -6.223 3.944 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -12.733 -6.888 2.334 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -11.598 -8.940 2.919 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -10.873 -8.237 4.351 1.00 0.00 H new ATOM 0 HE ARG A 39 -13.829 -8.031 4.422 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -11.904 -8.638 6.751 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -12.332 -10.313 7.112 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -13.996 -10.804 4.078 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -13.505 -11.529 5.613 1.00 0.00 H new ATOM 622 N ALA A 40 -8.264 -3.890 4.200 1.00 0.00 N ATOM 623 CA ALA A 40 -6.873 -3.420 3.937 1.00 0.00 C ATOM 624 C ALA A 40 -5.866 -4.366 4.596 1.00 0.00 C ATOM 625 O ALA A 40 -6.204 -5.124 5.485 1.00 0.00 O ATOM 626 CB ALA A 40 -6.798 -2.033 4.571 1.00 0.00 C ATOM 0 H ALA A 40 -8.808 -3.304 4.833 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.638 -3.394 2.873 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.802 -1.617 4.420 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.537 -1.380 4.107 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.001 -2.110 5.639 1.00 0.00 H new ATOM 632 N LYS A 41 -4.632 -4.332 4.172 1.00 0.00 N ATOM 633 CA LYS A 41 -3.610 -5.232 4.782 1.00 0.00 C ATOM 634 C LYS A 41 -2.304 -4.471 5.023 1.00 0.00 C ATOM 635 O LYS A 41 -2.278 -3.257 5.060 1.00 0.00 O ATOM 636 CB LYS A 41 -3.400 -6.348 3.756 1.00 0.00 C ATOM 637 CG LYS A 41 -4.726 -7.067 3.502 1.00 0.00 C ATOM 638 CD LYS A 41 -4.533 -8.123 2.412 1.00 0.00 C ATOM 639 CE LYS A 41 -3.768 -9.318 2.985 1.00 0.00 C ATOM 640 NZ LYS A 41 -2.930 -9.815 1.858 1.00 0.00 N ATOM 0 H LYS A 41 -4.287 -3.722 3.431 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.930 -5.621 5.748 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.016 -5.932 2.825 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.655 -7.055 4.120 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.079 -7.537 4.420 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.488 -6.350 3.198 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.501 -8.447 2.030 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.985 -7.697 1.571 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.152 -9.022 3.834 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.450 -10.090 3.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.375 -10.636 2.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.544 -10.096 1.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.286 -9.061 1.546 1.00 0.00 H new ATOM 654 N ARG A 42 -1.221 -5.178 5.185 1.00 0.00 N ATOM 655 CA ARG A 42 0.088 -4.504 5.424 1.00 0.00 C ATOM 656 C ARG A 42 0.547 -3.716 4.190 1.00 0.00 C ATOM 657 O ARG A 42 1.197 -2.696 4.311 1.00 0.00 O ATOM 658 CB ARG A 42 1.066 -5.635 5.739 1.00 0.00 C ATOM 659 CG ARG A 42 1.345 -6.430 4.471 1.00 0.00 C ATOM 660 CD ARG A 42 1.630 -7.886 4.851 1.00 0.00 C ATOM 661 NE ARG A 42 0.366 -8.369 5.461 1.00 0.00 N ATOM 662 CZ ARG A 42 0.388 -9.316 6.360 1.00 0.00 C ATOM 663 NH1 ARG A 42 1.352 -9.361 7.241 1.00 0.00 N ATOM 664 NH2 ARG A 42 -0.553 -10.221 6.377 1.00 0.00 N ATOM 0 H ARG A 42 -1.185 -6.197 5.162 1.00 0.00 H new ATOM 0 HA ARG A 42 0.022 -3.779 6.235 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.995 -5.227 6.137 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.650 -6.288 6.506 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.490 -6.377 3.797 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.197 -6.005 3.940 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.900 -8.478 3.977 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.461 -7.957 5.553 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.524 -7.959 5.177 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.089 -8.656 7.227 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.368 -10.101 7.942 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.305 -10.188 5.688 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.536 -10.961 7.079 1.00 0.00 H new ATOM 678 N ASN A 43 0.222 -4.165 3.005 1.00 0.00 N ATOM 679 CA ASN A 43 0.656 -3.405 1.795 1.00 0.00 C ATOM 680 C ASN A 43 -0.419 -2.387 1.411 1.00 0.00 C ATOM 681 O ASN A 43 -0.994 -2.437 0.342 1.00 0.00 O ATOM 682 CB ASN A 43 0.845 -4.444 0.689 1.00 0.00 C ATOM 683 CG ASN A 43 1.881 -3.925 -0.313 1.00 0.00 C ATOM 684 OD1 ASN A 43 1.535 -3.500 -1.397 1.00 0.00 O ATOM 685 ND2 ASN A 43 3.148 -3.945 0.005 1.00 0.00 N ATOM 0 H ASN A 43 -0.317 -5.012 2.824 1.00 0.00 H new ATOM 0 HA ASN A 43 1.578 -2.851 1.969 1.00 0.00 H new ATOM 0 HB2 ASN A 43 1.175 -5.391 1.115 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -0.103 -4.634 0.186 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.845 -3.604 -0.657 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.440 -4.302 0.915 1.00 0.00 H new ATOM 692 N ASN A 44 -0.689 -1.466 2.291 1.00 0.00 N ATOM 693 CA ASN A 44 -1.722 -0.425 2.018 1.00 0.00 C ATOM 694 C ASN A 44 -1.504 0.739 2.985 1.00 0.00 C ATOM 695 O ASN A 44 -2.211 0.890 3.961 1.00 0.00 O ATOM 696 CB ASN A 44 -3.060 -1.117 2.290 1.00 0.00 C ATOM 697 CG ASN A 44 -4.202 -0.101 2.202 1.00 0.00 C ATOM 698 OD1 ASN A 44 -3.972 1.091 2.183 1.00 0.00 O ATOM 699 ND2 ASN A 44 -5.436 -0.530 2.145 1.00 0.00 N ATOM 0 H ASN A 44 -0.233 -1.388 3.200 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.682 -0.028 1.004 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.218 -1.918 1.568 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.047 -1.577 3.278 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.205 0.137 2.085 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.629 -1.531 2.161 1.00 0.00 H new ATOM 706 N PHE A 45 -0.514 1.550 2.731 1.00 0.00 N ATOM 707 CA PHE A 45 -0.229 2.686 3.648 1.00 0.00 C ATOM 708 C PHE A 45 -1.091 3.895 3.274 1.00 0.00 C ATOM 709 O PHE A 45 -1.224 4.243 2.118 1.00 0.00 O ATOM 710 CB PHE A 45 1.265 2.974 3.452 1.00 0.00 C ATOM 711 CG PHE A 45 2.036 1.666 3.474 1.00 0.00 C ATOM 712 CD1 PHE A 45 2.332 1.041 4.694 1.00 0.00 C ATOM 713 CD2 PHE A 45 2.443 1.073 2.271 1.00 0.00 C ATOM 714 CE1 PHE A 45 3.035 -0.176 4.710 1.00 0.00 C ATOM 715 CE2 PHE A 45 3.143 -0.145 2.286 1.00 0.00 C ATOM 716 CZ PHE A 45 3.439 -0.770 3.505 1.00 0.00 C ATOM 0 H PHE A 45 0.109 1.474 1.927 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.460 2.461 4.689 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.427 3.489 2.505 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.626 3.635 4.240 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.019 1.495 5.623 1.00 0.00 H new ATOM 0 HD2 PHE A 45 2.218 1.554 1.330 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.264 -0.654 5.651 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.453 -0.600 1.357 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.977 -1.707 3.517 1.00 0.00 H new ATOM 726 N LYS A 46 -1.686 4.529 4.247 1.00 0.00 N ATOM 727 CA LYS A 46 -2.554 5.708 3.959 1.00 0.00 C ATOM 728 C LYS A 46 -1.724 6.858 3.386 1.00 0.00 C ATOM 729 O LYS A 46 -2.253 7.790 2.811 1.00 0.00 O ATOM 730 CB LYS A 46 -3.149 6.098 5.312 1.00 0.00 C ATOM 731 CG LYS A 46 -3.719 4.854 5.995 1.00 0.00 C ATOM 732 CD LYS A 46 -4.846 5.261 6.946 1.00 0.00 C ATOM 733 CE LYS A 46 -5.583 4.010 7.429 1.00 0.00 C ATOM 734 NZ LYS A 46 -6.417 4.471 8.573 1.00 0.00 N ATOM 0 H LYS A 46 -1.609 4.281 5.233 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.324 5.481 3.222 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.383 6.553 5.941 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.933 6.843 5.176 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.095 4.156 5.247 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.933 4.337 6.546 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.439 5.807 7.797 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.540 5.932 6.439 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.200 3.585 6.637 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.883 3.234 7.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.953 3.667 8.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.803 4.864 9.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.079 5.204 8.247 1.00 0.00 H new ATOM 748 N SER A 47 -0.431 6.804 3.535 1.00 0.00 N ATOM 749 CA SER A 47 0.421 7.901 2.998 1.00 0.00 C ATOM 750 C SER A 47 1.793 7.359 2.593 1.00 0.00 C ATOM 751 O SER A 47 2.217 6.315 3.046 1.00 0.00 O ATOM 752 CB SER A 47 0.559 8.894 4.150 1.00 0.00 C ATOM 753 OG SER A 47 1.273 8.281 5.217 1.00 0.00 O ATOM 0 H SER A 47 0.072 6.051 4.004 1.00 0.00 H new ATOM 0 HA SER A 47 -0.013 8.361 2.110 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.083 9.788 3.813 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.426 9.211 4.492 1.00 0.00 H new ATOM 0 HG SER A 47 1.365 8.917 5.957 1.00 0.00 H new ATOM 759 N ALA A 48 2.492 8.064 1.748 1.00 0.00 N ATOM 760 CA ALA A 48 3.840 7.592 1.318 1.00 0.00 C ATOM 761 C ALA A 48 4.795 7.575 2.514 1.00 0.00 C ATOM 762 O ALA A 48 5.807 6.903 2.505 1.00 0.00 O ATOM 763 CB ALA A 48 4.303 8.610 0.275 1.00 0.00 C ATOM 0 H ALA A 48 2.189 8.947 1.336 1.00 0.00 H new ATOM 0 HA ALA A 48 3.816 6.580 0.914 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.291 8.332 -0.091 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.598 8.625 -0.557 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.350 9.600 0.729 1.00 0.00 H new ATOM 769 N GLU A 49 4.478 8.310 3.544 1.00 0.00 N ATOM 770 CA GLU A 49 5.363 8.343 4.743 1.00 0.00 C ATOM 771 C GLU A 49 5.242 7.034 5.526 1.00 0.00 C ATOM 772 O GLU A 49 6.186 6.575 6.138 1.00 0.00 O ATOM 773 CB GLU A 49 4.845 9.514 5.581 1.00 0.00 C ATOM 774 CG GLU A 49 5.949 10.560 5.735 1.00 0.00 C ATOM 775 CD GLU A 49 5.331 11.959 5.711 1.00 0.00 C ATOM 776 OE1 GLU A 49 4.275 12.130 6.297 1.00 0.00 O ATOM 777 OE2 GLU A 49 5.924 12.837 5.105 1.00 0.00 O ATOM 0 H GLU A 49 3.642 8.891 3.607 1.00 0.00 H new ATOM 0 HA GLU A 49 6.414 8.460 4.478 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.972 9.959 5.103 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.526 9.160 6.561 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.485 10.403 6.671 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.677 10.458 4.930 1.00 0.00 H new ATOM 784 N ASP A 50 4.088 6.427 5.506 1.00 0.00 N ATOM 785 CA ASP A 50 3.908 5.147 6.245 1.00 0.00 C ATOM 786 C ASP A 50 4.535 4.003 5.450 1.00 0.00 C ATOM 787 O ASP A 50 5.076 3.068 6.004 1.00 0.00 O ATOM 788 CB ASP A 50 2.395 4.963 6.361 1.00 0.00 C ATOM 789 CG ASP A 50 1.910 5.558 7.684 1.00 0.00 C ATOM 790 OD1 ASP A 50 2.704 5.625 8.608 1.00 0.00 O ATOM 791 OD2 ASP A 50 0.751 5.936 7.751 1.00 0.00 O ATOM 0 H ASP A 50 3.262 6.762 5.010 1.00 0.00 H new ATOM 0 HA ASP A 50 4.386 5.157 7.225 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.893 5.450 5.525 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.142 3.904 6.311 1.00 0.00 H new ATOM 796 N CYS A 51 4.479 4.083 4.149 1.00 0.00 N ATOM 797 CA CYS A 51 5.083 3.012 3.308 1.00 0.00 C ATOM 798 C CYS A 51 6.604 3.129 3.368 1.00 0.00 C ATOM 799 O CYS A 51 7.311 2.154 3.528 1.00 0.00 O ATOM 800 CB CYS A 51 4.585 3.292 1.890 1.00 0.00 C ATOM 801 SG CYS A 51 5.460 2.215 0.727 1.00 0.00 S ATOM 0 H CYS A 51 4.040 4.845 3.632 1.00 0.00 H new ATOM 0 HA CYS A 51 4.812 2.010 3.639 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.511 3.117 1.828 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.753 4.338 1.633 1.00 0.00 H new ATOM 806 N MET A 52 7.109 4.327 3.251 1.00 0.00 N ATOM 807 CA MET A 52 8.583 4.525 3.313 1.00 0.00 C ATOM 808 C MET A 52 9.071 4.262 4.738 1.00 0.00 C ATOM 809 O MET A 52 10.060 3.593 4.956 1.00 0.00 O ATOM 810 CB MET A 52 8.802 5.987 2.925 1.00 0.00 C ATOM 811 CG MET A 52 10.276 6.213 2.584 1.00 0.00 C ATOM 812 SD MET A 52 10.749 5.133 1.212 1.00 0.00 S ATOM 813 CE MET A 52 9.742 5.931 -0.062 1.00 0.00 C ATOM 0 H MET A 52 6.563 5.178 3.115 1.00 0.00 H new ATOM 0 HA MET A 52 9.130 3.850 2.654 1.00 0.00 H new ATOM 0 HB2 MET A 52 8.177 6.244 2.070 1.00 0.00 H new ATOM 0 HB3 MET A 52 8.504 6.640 3.745 1.00 0.00 H new ATOM 0 HG2 MET A 52 10.442 7.256 2.314 1.00 0.00 H new ATOM 0 HG3 MET A 52 10.898 6.006 3.455 1.00 0.00 H new ATOM 0 HE1 MET A 52 10.171 5.730 -1.044 1.00 0.00 H new ATOM 0 HE2 MET A 52 8.726 5.538 -0.022 1.00 0.00 H new ATOM 0 HE3 MET A 52 9.722 7.007 0.111 1.00 0.00 H new ATOM 823 N ARG A 53 8.372 4.777 5.713 1.00 0.00 N ATOM 824 CA ARG A 53 8.785 4.547 7.126 1.00 0.00 C ATOM 825 C ARG A 53 8.777 3.047 7.427 1.00 0.00 C ATOM 826 O ARG A 53 9.460 2.576 8.315 1.00 0.00 O ATOM 827 CB ARG A 53 7.732 5.270 7.969 1.00 0.00 C ATOM 828 CG ARG A 53 7.934 4.927 9.447 1.00 0.00 C ATOM 829 CD ARG A 53 7.127 5.899 10.312 1.00 0.00 C ATOM 830 NE ARG A 53 5.842 5.198 10.581 1.00 0.00 N ATOM 831 CZ ARG A 53 5.111 5.543 11.606 1.00 0.00 C ATOM 832 NH1 ARG A 53 4.260 6.527 11.500 1.00 0.00 N ATOM 833 NH2 ARG A 53 5.232 4.903 12.738 1.00 0.00 N ATOM 0 H ARG A 53 7.534 5.346 5.592 1.00 0.00 H new ATOM 0 HA ARG A 53 9.790 4.913 7.334 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.810 6.347 7.821 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.732 4.976 7.650 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.617 3.902 9.640 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.992 4.987 9.704 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.651 6.132 11.239 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.961 6.844 9.794 1.00 0.00 H new ATOM 0 HE ARG A 53 5.532 4.447 9.964 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.166 7.027 10.616 1.00 0.00 H new ATOM 0 HH12 ARG A 53 3.689 6.796 12.301 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.897 4.134 12.821 1.00 0.00 H new ATOM 0 HH22 ARG A 53 4.661 5.172 13.539 1.00 0.00 H new ATOM 847 N THR A 54 8.008 2.293 6.688 1.00 0.00 N ATOM 848 CA THR A 54 7.955 0.823 6.921 1.00 0.00 C ATOM 849 C THR A 54 9.088 0.133 6.160 1.00 0.00 C ATOM 850 O THR A 54 9.843 -0.639 6.718 1.00 0.00 O ATOM 851 CB THR A 54 6.593 0.377 6.380 1.00 0.00 C ATOM 852 OG1 THR A 54 5.574 0.760 7.294 1.00 0.00 O ATOM 853 CG2 THR A 54 6.584 -1.142 6.209 1.00 0.00 C ATOM 0 H THR A 54 7.414 2.633 5.932 1.00 0.00 H new ATOM 0 HA THR A 54 8.073 0.567 7.974 1.00 0.00 H new ATOM 0 HB THR A 54 6.411 0.850 5.415 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.195 1.621 7.020 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.615 -1.459 5.824 1.00 0.00 H new ATOM 0 HG22 THR A 54 7.366 -1.434 5.508 1.00 0.00 H new ATOM 0 HG23 THR A 54 6.765 -1.618 7.173 1.00 0.00 H new ATOM 861 N CYS A 55 9.214 0.403 4.888 1.00 0.00 N ATOM 862 CA CYS A 55 10.303 -0.242 4.096 1.00 0.00 C ATOM 863 C CYS A 55 11.029 0.795 3.238 1.00 0.00 C ATOM 864 O CYS A 55 11.273 0.585 2.066 1.00 0.00 O ATOM 865 CB CYS A 55 9.595 -1.269 3.216 1.00 0.00 C ATOM 866 SG CYS A 55 8.808 -2.512 4.266 1.00 0.00 S ATOM 0 H CYS A 55 8.613 1.039 4.364 1.00 0.00 H new ATOM 0 HA CYS A 55 11.058 -0.702 4.734 1.00 0.00 H new ATOM 0 HB2 CYS A 55 8.848 -0.778 2.592 1.00 0.00 H new ATOM 0 HB3 CYS A 55 10.310 -1.744 2.544 1.00 0.00 H new ATOM 871 N GLY A 56 11.382 1.909 3.814 1.00 0.00 N ATOM 872 CA GLY A 56 12.099 2.956 3.035 1.00 0.00 C ATOM 873 C GLY A 56 13.586 2.918 3.388 1.00 0.00 C ATOM 874 O GLY A 56 14.069 1.969 3.974 1.00 0.00 O ATOM 0 H GLY A 56 11.205 2.140 4.792 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.963 2.788 1.967 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.685 3.939 3.259 1.00 0.00 H new ATOM 878 N GLY A 57 14.317 3.940 3.041 1.00 0.00 N ATOM 879 CA GLY A 57 15.772 3.957 3.362 1.00 0.00 C ATOM 880 C GLY A 57 16.582 3.985 2.065 1.00 0.00 C ATOM 881 O GLY A 57 17.684 3.479 1.999 1.00 0.00 O ATOM 0 H GLY A 57 13.971 4.764 2.549 1.00 0.00 H new ATOM 0 HA2 GLY A 57 16.010 4.829 3.971 1.00 0.00 H new ATOM 0 HA3 GLY A 57 16.036 3.077 3.949 1.00 0.00 H new ATOM 885 N ALA A 58 16.046 4.574 1.031 1.00 0.00 N ATOM 886 CA ALA A 58 16.789 4.634 -0.260 1.00 0.00 C ATOM 887 C ALA A 58 16.917 6.085 -0.730 1.00 0.00 C ATOM 888 O ALA A 58 16.763 6.318 -1.918 1.00 0.00 O ATOM 889 CB ALA A 58 15.943 3.823 -1.242 1.00 0.00 C ATOM 890 OXT ALA A 58 17.167 6.937 0.106 1.00 0.00 O ATOM 0 H ALA A 58 15.127 5.016 1.024 1.00 0.00 H new ATOM 0 HA ALA A 58 17.801 4.239 -0.173 1.00 0.00 H new ATOM 0 HB1 ALA A 58 16.424 3.819 -2.220 1.00 0.00 H new ATOM 0 HB2 ALA A 58 15.847 2.799 -0.880 1.00 0.00 H new ATOM 0 HB3 ALA A 58 14.953 4.272 -1.327 1.00 0.00 H new TER 896 ALA A 58