USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 609 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ -116:sc= 0.344 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -150:sc= 0.992 (180deg=-0.336!) USER MOD Single : A 14 HIS : no HD1:sc= -0.928 K(o=-0.93,f=-2.6) USER MOD Single : A 20 LYS NZ :NH3+ -136:sc= -1.16 (180deg=-4.24!) USER MOD Single : A 24 LYS NZ :NH3+ 163:sc= -0.0873 (180deg=-0.612) USER MOD Single : A 30 ASN : amide:sc= -5.28! C(o=-5.3!,f=-5.6!) USER MOD Single : A 36 CYS SG : rot -87:sc= 1.11 USER MOD Single : A 39 GLN :FLIP amide:sc=-0.00898 F(o=-1.3!,f=-0.009) USER MOD Single : A 40 ASN : amide:sc= -0.522 K(o=-0.52,f=-15!) USER MOD Single : A 42 LYS NZ :NH3+ 162:sc= -0.0224 (180deg=-0.546) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -146:sc= -0.891! (180deg=-2.86!) USER MOD Single : A 54 LYS NZ :NH3+ -142:sc= 0.525 (180deg=-2.15!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 44:sc= 0.691 USER MOD Single : A 70 GLN : amide:sc= -0.167 K(o=-0.17,f=-1.2) USER MOD Single : A 71 THR OG1 : rot -78:sc= 0.199 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0908 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.651 -14.954 1.319 1.00 0.00 N ATOM 2 CA ALA A 1 1.367 -13.679 0.985 1.00 0.00 C ATOM 3 C ALA A 1 0.944 -12.699 2.056 1.00 0.00 C ATOM 4 O ALA A 1 0.232 -13.112 2.946 1.00 0.00 O ATOM 5 CB ALA A 1 0.951 -13.080 -0.379 1.00 0.00 C ATOM 0 H1 ALA A 1 1.346 -15.691 1.555 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.023 -14.797 2.133 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.086 -15.260 0.501 1.00 0.00 H new ATOM 0 HA ALA A 1 2.438 -13.873 0.934 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.507 -12.160 -0.557 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.169 -13.795 -1.172 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -0.117 -12.863 -0.370 1.00 0.00 H new ATOM 13 N PHE A 2 1.373 -11.482 1.922 1.00 0.00 N ATOM 14 CA PHE A 2 1.032 -10.409 2.910 1.00 0.00 C ATOM 15 C PHE A 2 0.203 -9.483 2.017 1.00 0.00 C ATOM 16 O PHE A 2 0.509 -9.418 0.839 1.00 0.00 O ATOM 17 CB PHE A 2 2.367 -9.760 3.393 1.00 0.00 C ATOM 18 CG PHE A 2 2.213 -8.659 4.474 1.00 0.00 C ATOM 19 CD1 PHE A 2 1.011 -8.402 5.121 1.00 0.00 C ATOM 20 CD2 PHE A 2 3.319 -7.883 4.814 1.00 0.00 C ATOM 21 CE1 PHE A 2 0.913 -7.411 6.075 1.00 0.00 C ATOM 22 CE2 PHE A 2 3.216 -6.892 5.769 1.00 0.00 C ATOM 23 CZ PHE A 2 2.014 -6.655 6.399 1.00 0.00 C ATOM 0 H PHE A 2 1.962 -11.170 1.150 1.00 0.00 H new ATOM 0 HA PHE A 2 0.506 -10.705 3.818 1.00 0.00 H new ATOM 0 HB2 PHE A 2 3.012 -10.545 3.787 1.00 0.00 H new ATOM 0 HB3 PHE A 2 2.877 -9.331 2.530 1.00 0.00 H new ATOM 0 HD1 PHE A 2 0.139 -8.988 4.873 1.00 0.00 H new ATOM 0 HD2 PHE A 2 4.266 -8.059 4.326 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -0.030 -7.229 6.568 1.00 0.00 H new ATOM 0 HE2 PHE A 2 4.082 -6.299 6.024 1.00 0.00 H new ATOM 0 HZ PHE A 2 1.937 -5.878 7.145 1.00 0.00 H new ATOM 33 N GLU A 3 -0.784 -8.814 2.547 1.00 0.00 N ATOM 34 CA GLU A 3 -1.627 -7.909 1.729 1.00 0.00 C ATOM 35 C GLU A 3 -1.465 -6.444 2.119 1.00 0.00 C ATOM 36 O GLU A 3 -0.581 -6.089 2.866 1.00 0.00 O ATOM 37 CB GLU A 3 -3.077 -8.346 1.892 1.00 0.00 C ATOM 38 CG GLU A 3 -3.301 -9.724 1.244 1.00 0.00 C ATOM 39 CD GLU A 3 -4.796 -9.764 0.919 1.00 0.00 C ATOM 40 OE1 GLU A 3 -5.524 -10.027 1.856 1.00 0.00 O ATOM 41 OE2 GLU A 3 -5.103 -9.508 -0.235 1.00 0.00 O ATOM 0 H GLU A 3 -1.043 -8.860 3.532 1.00 0.00 H new ATOM 0 HA GLU A 3 -1.311 -7.981 0.688 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -3.333 -8.389 2.951 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -3.738 -7.610 1.434 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -2.697 -9.841 0.344 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -3.022 -10.530 1.922 1.00 0.00 H new ATOM 48 N PHE A 4 -2.349 -5.644 1.589 1.00 0.00 N ATOM 49 CA PHE A 4 -2.325 -4.169 1.862 1.00 0.00 C ATOM 50 C PHE A 4 -3.416 -3.653 2.821 1.00 0.00 C ATOM 51 O PHE A 4 -3.247 -2.601 3.399 1.00 0.00 O ATOM 52 CB PHE A 4 -2.431 -3.441 0.510 1.00 0.00 C ATOM 53 CG PHE A 4 -2.158 -1.937 0.691 1.00 0.00 C ATOM 54 CD1 PHE A 4 -0.913 -1.501 1.103 1.00 0.00 C ATOM 55 CD2 PHE A 4 -3.147 -1.007 0.448 1.00 0.00 C ATOM 56 CE1 PHE A 4 -0.659 -0.156 1.264 1.00 0.00 C ATOM 57 CE2 PHE A 4 -2.895 0.340 0.608 1.00 0.00 C ATOM 58 CZ PHE A 4 -1.650 0.766 1.016 1.00 0.00 C ATOM 0 H PHE A 4 -3.099 -5.949 0.969 1.00 0.00 H new ATOM 0 HA PHE A 4 -1.389 -3.962 2.380 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.717 -3.865 -0.196 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.424 -3.589 0.086 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.132 -2.221 1.301 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.126 -1.335 0.130 1.00 0.00 H new ATOM 0 HE1 PHE A 4 0.318 0.174 1.585 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -3.675 1.061 0.413 1.00 0.00 H new ATOM 0 HZ PHE A 4 -1.452 1.820 1.141 1.00 0.00 H new ATOM 68 N LYS A 5 -4.520 -4.337 2.984 1.00 0.00 N ATOM 69 CA LYS A 5 -5.577 -3.845 3.912 1.00 0.00 C ATOM 70 C LYS A 5 -5.825 -5.060 4.812 1.00 0.00 C ATOM 71 O LYS A 5 -5.241 -6.106 4.608 1.00 0.00 O ATOM 72 CB LYS A 5 -6.867 -3.509 3.163 1.00 0.00 C ATOM 73 CG LYS A 5 -6.664 -2.418 2.051 1.00 0.00 C ATOM 74 CD LYS A 5 -6.507 -0.986 2.684 1.00 0.00 C ATOM 75 CE LYS A 5 -7.468 0.029 1.975 1.00 0.00 C ATOM 76 NZ LYS A 5 -7.411 -0.155 0.485 1.00 0.00 N ATOM 0 H LYS A 5 -4.733 -5.216 2.513 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.280 -2.938 4.439 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.262 -4.416 2.706 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.614 -3.159 3.876 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.780 -2.657 1.460 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.515 -2.426 1.369 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.731 -1.025 3.750 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.475 -0.649 2.587 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.489 -0.118 2.328 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.186 1.050 2.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -7.600 0.754 0.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -6.467 -0.495 0.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.127 -0.851 0.193 1.00 0.00 H new ATOM 90 N LEU A 6 -6.689 -4.884 5.763 1.00 0.00 N ATOM 91 CA LEU A 6 -7.024 -5.978 6.709 1.00 0.00 C ATOM 92 C LEU A 6 -8.405 -6.480 6.307 1.00 0.00 C ATOM 93 O LEU A 6 -9.018 -5.928 5.416 1.00 0.00 O ATOM 94 CB LEU A 6 -7.045 -5.386 8.118 1.00 0.00 C ATOM 95 CG LEU A 6 -5.660 -4.778 8.486 1.00 0.00 C ATOM 96 CD1 LEU A 6 -5.764 -4.050 9.846 1.00 0.00 C ATOM 97 CD2 LEU A 6 -4.579 -5.886 8.569 1.00 0.00 C ATOM 0 H LEU A 6 -7.188 -4.010 5.929 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.307 -6.799 6.688 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -7.813 -4.615 8.182 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.310 -6.160 8.838 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.370 -4.071 7.709 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.795 -3.624 10.105 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.504 -3.253 9.776 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.066 -4.760 10.616 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.619 -5.439 8.827 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.859 -6.611 9.333 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.498 -6.388 7.605 1.00 0.00 H new ATOM 109 N PRO A 7 -8.891 -7.504 6.952 1.00 0.00 N ATOM 110 CA PRO A 7 -10.352 -7.719 7.084 1.00 0.00 C ATOM 111 C PRO A 7 -11.019 -6.468 7.683 1.00 0.00 C ATOM 112 O PRO A 7 -11.246 -6.428 8.876 1.00 0.00 O ATOM 113 CB PRO A 7 -10.458 -8.979 7.960 1.00 0.00 C ATOM 114 CG PRO A 7 -9.133 -9.739 7.628 1.00 0.00 C ATOM 115 CD PRO A 7 -8.101 -8.585 7.605 1.00 0.00 C ATOM 0 HA PRO A 7 -10.876 -7.870 6.140 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -10.529 -8.731 9.019 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -11.338 -9.572 7.712 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -8.892 -10.488 8.382 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -9.188 -10.257 6.671 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -7.772 -8.307 8.606 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -7.208 -8.843 7.036 1.00 0.00 H new ATOM 123 N ASP A 8 -11.289 -5.508 6.842 1.00 0.00 N ATOM 124 CA ASP A 8 -11.934 -4.246 7.268 1.00 0.00 C ATOM 125 C ASP A 8 -13.207 -4.140 6.439 1.00 0.00 C ATOM 126 O ASP A 8 -14.251 -4.523 6.927 1.00 0.00 O ATOM 127 CB ASP A 8 -10.995 -3.115 6.958 1.00 0.00 C ATOM 128 CG ASP A 8 -11.602 -1.779 7.387 1.00 0.00 C ATOM 129 OD1 ASP A 8 -12.579 -1.422 6.745 1.00 0.00 O ATOM 130 OD2 ASP A 8 -11.052 -1.215 8.307 1.00 0.00 O ATOM 0 H ASP A 8 -11.080 -5.554 5.845 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.165 -4.215 8.333 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -10.047 -3.271 7.472 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -10.780 -3.096 5.890 1.00 0.00 H new ATOM 135 N ILE A 9 -13.098 -3.654 5.225 1.00 0.00 N ATOM 136 CA ILE A 9 -14.281 -3.490 4.312 1.00 0.00 C ATOM 137 C ILE A 9 -15.534 -3.001 5.082 1.00 0.00 C ATOM 138 O ILE A 9 -16.647 -3.273 4.668 1.00 0.00 O ATOM 139 CB ILE A 9 -14.624 -4.876 3.579 1.00 0.00 C ATOM 140 CG1 ILE A 9 -14.787 -6.059 4.597 1.00 0.00 C ATOM 141 CG2 ILE A 9 -13.553 -5.212 2.519 1.00 0.00 C ATOM 142 CD1 ILE A 9 -15.199 -7.362 3.884 1.00 0.00 C ATOM 0 H ILE A 9 -12.213 -3.355 4.815 1.00 0.00 H new ATOM 0 HA ILE A 9 -14.012 -2.738 3.571 1.00 0.00 H new ATOM 0 HB ILE A 9 -15.584 -4.747 3.079 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.849 -6.215 5.129 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -15.537 -5.798 5.343 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.804 -6.155 2.034 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -13.518 -4.418 1.773 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -12.579 -5.300 3.001 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.303 -8.161 4.618 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -16.150 -7.212 3.373 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -14.435 -7.635 3.156 1.00 0.00 H new ATOM 154 N GLY A 10 -15.337 -2.293 6.159 1.00 0.00 N ATOM 155 CA GLY A 10 -16.482 -1.794 6.948 1.00 0.00 C ATOM 156 C GLY A 10 -16.268 -0.365 7.411 1.00 0.00 C ATOM 157 O GLY A 10 -16.902 0.561 6.937 1.00 0.00 O ATOM 0 H GLY A 10 -14.419 -2.040 6.525 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -17.389 -1.849 6.346 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -16.634 -2.438 7.814 1.00 0.00 H new ATOM 161 N GLU A 11 -15.366 -0.254 8.334 1.00 0.00 N ATOM 162 CA GLU A 11 -14.996 1.035 8.935 1.00 0.00 C ATOM 163 C GLU A 11 -14.651 2.162 7.962 1.00 0.00 C ATOM 164 O GLU A 11 -14.212 1.992 6.843 1.00 0.00 O ATOM 165 CB GLU A 11 -13.841 0.684 9.899 1.00 0.00 C ATOM 166 CG GLU A 11 -14.421 0.117 11.243 1.00 0.00 C ATOM 167 CD GLU A 11 -15.558 -0.871 10.999 1.00 0.00 C ATOM 168 OE1 GLU A 11 -15.275 -1.946 10.514 1.00 0.00 O ATOM 169 OE2 GLU A 11 -16.659 -0.466 11.310 1.00 0.00 O ATOM 0 H GLU A 11 -14.848 -1.048 8.710 1.00 0.00 H new ATOM 0 HA GLU A 11 -15.858 1.473 9.438 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.182 -0.052 9.438 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -13.239 1.571 10.098 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -13.626 -0.375 11.803 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -14.782 0.941 11.859 1.00 0.00 H new ATOM 176 N GLY A 12 -14.891 3.326 8.495 1.00 0.00 N ATOM 177 CA GLY A 12 -14.660 4.640 7.813 1.00 0.00 C ATOM 178 C GLY A 12 -13.660 4.694 6.650 1.00 0.00 C ATOM 179 O GLY A 12 -13.923 5.359 5.666 1.00 0.00 O ATOM 0 H GLY A 12 -15.263 3.428 9.439 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -15.621 4.994 7.441 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -14.329 5.352 8.569 1.00 0.00 H new ATOM 183 N ILE A 13 -12.549 4.022 6.761 1.00 0.00 N ATOM 184 CA ILE A 13 -11.552 4.062 5.663 1.00 0.00 C ATOM 185 C ILE A 13 -11.410 2.651 5.071 1.00 0.00 C ATOM 186 O ILE A 13 -10.359 2.034 5.111 1.00 0.00 O ATOM 187 CB ILE A 13 -10.246 4.586 6.270 1.00 0.00 C ATOM 188 CG1 ILE A 13 -10.466 5.836 7.209 1.00 0.00 C ATOM 189 CG2 ILE A 13 -9.254 4.981 5.149 1.00 0.00 C ATOM 190 CD1 ILE A 13 -10.770 5.390 8.665 1.00 0.00 C ATOM 0 H ILE A 13 -12.291 3.449 7.564 1.00 0.00 H new ATOM 0 HA ILE A 13 -11.849 4.719 4.845 1.00 0.00 H new ATOM 0 HB ILE A 13 -9.842 3.774 6.875 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -9.577 6.466 7.196 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -11.291 6.440 6.830 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -8.331 5.352 5.594 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -9.035 4.109 4.533 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -9.697 5.761 4.530 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -10.918 6.270 9.292 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -11.673 4.780 8.678 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -9.933 4.807 9.049 1.00 0.00 H new ATOM 202 N HIS A 14 -12.484 2.189 4.504 1.00 0.00 N ATOM 203 CA HIS A 14 -12.481 0.819 3.898 1.00 0.00 C ATOM 204 C HIS A 14 -11.965 0.817 2.462 1.00 0.00 C ATOM 205 O HIS A 14 -12.028 -0.185 1.778 1.00 0.00 O ATOM 206 CB HIS A 14 -13.912 0.267 3.920 1.00 0.00 C ATOM 207 CG HIS A 14 -14.881 1.290 3.315 1.00 0.00 C ATOM 208 ND1 HIS A 14 -14.751 1.919 2.186 1.00 0.00 N ATOM 209 CD2 HIS A 14 -16.075 1.759 3.827 1.00 0.00 C ATOM 210 CE1 HIS A 14 -15.767 2.701 2.011 1.00 0.00 C ATOM 211 NE2 HIS A 14 -16.619 2.633 3.004 1.00 0.00 N ATOM 0 H HIS A 14 -13.367 2.695 4.430 1.00 0.00 H new ATOM 0 HA HIS A 14 -11.808 0.195 4.487 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -13.959 -0.666 3.358 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -14.206 0.038 4.944 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -16.503 1.452 4.770 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -15.897 3.336 1.147 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -17.498 3.138 3.114 1.00 0.00 H new ATOM 219 N GLU A 15 -11.464 1.922 2.006 1.00 0.00 N ATOM 220 CA GLU A 15 -10.933 2.020 0.615 1.00 0.00 C ATOM 221 C GLU A 15 -9.542 2.625 0.638 1.00 0.00 C ATOM 222 O GLU A 15 -8.886 2.688 1.655 1.00 0.00 O ATOM 223 CB GLU A 15 -11.931 2.861 -0.204 1.00 0.00 C ATOM 224 CG GLU A 15 -12.479 4.043 0.616 1.00 0.00 C ATOM 225 CD GLU A 15 -13.453 4.781 -0.287 1.00 0.00 C ATOM 226 OE1 GLU A 15 -14.426 4.137 -0.634 1.00 0.00 O ATOM 227 OE2 GLU A 15 -13.149 5.919 -0.568 1.00 0.00 O ATOM 0 H GLU A 15 -11.396 2.784 2.547 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.836 1.039 0.151 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.441 3.236 -1.102 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.757 2.230 -0.532 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.978 3.690 1.519 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.671 4.701 0.935 1.00 0.00 H new ATOM 234 N GLY A 16 -9.101 3.019 -0.508 1.00 0.00 N ATOM 235 CA GLY A 16 -7.743 3.648 -0.642 1.00 0.00 C ATOM 236 C GLY A 16 -7.668 4.651 -1.782 1.00 0.00 C ATOM 237 O GLY A 16 -7.762 4.221 -2.914 1.00 0.00 O ATOM 0 H GLY A 16 -9.621 2.937 -1.382 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.485 4.147 0.292 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.000 2.867 -0.802 1.00 0.00 H new ATOM 241 N GLU A 17 -7.509 5.912 -1.484 1.00 0.00 N ATOM 242 CA GLU A 17 -7.413 6.979 -2.523 1.00 0.00 C ATOM 243 C GLU A 17 -5.910 7.312 -2.548 1.00 0.00 C ATOM 244 O GLU A 17 -5.460 8.216 -1.870 1.00 0.00 O ATOM 245 CB GLU A 17 -8.262 8.142 -2.026 1.00 0.00 C ATOM 246 CG GLU A 17 -8.410 9.292 -3.041 1.00 0.00 C ATOM 247 CD GLU A 17 -9.303 10.383 -2.433 1.00 0.00 C ATOM 248 OE1 GLU A 17 -9.236 10.591 -1.235 1.00 0.00 O ATOM 249 OE2 GLU A 17 -10.017 10.980 -3.211 1.00 0.00 O ATOM 0 H GLU A 17 -7.439 6.259 -0.527 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.765 6.716 -3.521 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.253 7.770 -1.768 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.821 8.535 -1.110 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.431 9.702 -3.291 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.847 8.922 -3.969 1.00 0.00 H new ATOM 256 N ILE A 18 -5.148 6.584 -3.308 1.00 0.00 N ATOM 257 CA ILE A 18 -3.695 6.814 -3.400 1.00 0.00 C ATOM 258 C ILE A 18 -3.499 7.852 -4.486 1.00 0.00 C ATOM 259 O ILE A 18 -3.944 7.665 -5.599 1.00 0.00 O ATOM 260 CB ILE A 18 -3.082 5.472 -3.746 1.00 0.00 C ATOM 261 CG1 ILE A 18 -3.663 4.389 -2.802 1.00 0.00 C ATOM 262 CG2 ILE A 18 -1.607 5.590 -3.590 1.00 0.00 C ATOM 263 CD1 ILE A 18 -4.514 3.431 -3.634 1.00 0.00 C ATOM 0 H ILE A 18 -5.489 5.816 -3.886 1.00 0.00 H new ATOM 0 HA ILE A 18 -3.228 7.183 -2.487 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.313 5.183 -4.771 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.858 3.847 -2.305 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.266 4.851 -2.020 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.138 4.637 -3.833 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.231 6.361 -4.262 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.370 5.859 -2.560 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.932 2.660 -2.987 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.324 3.984 -4.110 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.894 2.965 -4.399 1.00 0.00 H new ATOM 275 N VAL A 19 -2.838 8.907 -4.127 1.00 0.00 N ATOM 276 CA VAL A 19 -2.577 9.999 -5.083 1.00 0.00 C ATOM 277 C VAL A 19 -1.147 9.897 -5.581 1.00 0.00 C ATOM 278 O VAL A 19 -0.925 10.007 -6.765 1.00 0.00 O ATOM 279 CB VAL A 19 -2.799 11.329 -4.352 1.00 0.00 C ATOM 280 CG1 VAL A 19 -2.997 12.482 -5.365 1.00 0.00 C ATOM 281 CG2 VAL A 19 -3.970 11.202 -3.358 1.00 0.00 C ATOM 0 H VAL A 19 -2.461 9.059 -3.191 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.246 9.935 -5.941 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.910 11.574 -3.770 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.153 13.417 -4.826 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.111 12.569 -5.995 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.866 12.273 -5.989 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.117 12.153 -2.846 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.879 10.936 -3.898 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.743 10.427 -2.626 1.00 0.00 H new ATOM 291 N LYS A 20 -0.233 9.712 -4.672 1.00 0.00 N ATOM 292 CA LYS A 20 1.199 9.612 -5.086 1.00 0.00 C ATOM 293 C LYS A 20 1.897 8.411 -4.455 1.00 0.00 C ATOM 294 O LYS A 20 1.602 8.058 -3.321 1.00 0.00 O ATOM 295 CB LYS A 20 1.888 10.940 -4.659 1.00 0.00 C ATOM 296 CG LYS A 20 3.430 10.971 -4.922 1.00 0.00 C ATOM 297 CD LYS A 20 4.154 11.583 -3.678 1.00 0.00 C ATOM 298 CE LYS A 20 3.807 13.088 -3.529 1.00 0.00 C ATOM 299 NZ LYS A 20 4.387 13.610 -2.270 1.00 0.00 N ATOM 0 H LYS A 20 -0.409 9.626 -3.671 1.00 0.00 H new ATOM 0 HA LYS A 20 1.264 9.463 -6.164 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.422 11.767 -5.194 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.708 11.106 -3.597 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.798 9.963 -5.112 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.647 11.563 -5.811 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.858 11.045 -2.777 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.232 11.462 -3.782 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.196 13.647 -4.380 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.725 13.224 -3.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.685 14.205 -1.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.652 12.815 -1.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.232 14.177 -2.486 1.00 0.00 H new ATOM 313 N TRP A 21 2.794 7.834 -5.205 1.00 0.00 N ATOM 314 CA TRP A 21 3.587 6.667 -4.742 1.00 0.00 C ATOM 315 C TRP A 21 5.013 7.152 -4.709 1.00 0.00 C ATOM 316 O TRP A 21 5.338 8.287 -4.991 1.00 0.00 O ATOM 317 CB TRP A 21 3.575 5.475 -5.699 1.00 0.00 C ATOM 318 CG TRP A 21 2.629 4.401 -5.198 1.00 0.00 C ATOM 319 CD1 TRP A 21 1.415 4.236 -5.766 1.00 0.00 C ATOM 320 CD2 TRP A 21 2.831 3.493 -4.193 1.00 0.00 C ATOM 321 NE1 TRP A 21 0.923 3.232 -5.083 1.00 0.00 N ATOM 322 CE2 TRP A 21 1.680 2.720 -4.139 1.00 0.00 C ATOM 323 CE3 TRP A 21 3.860 3.189 -3.284 1.00 0.00 C ATOM 324 CZ2 TRP A 21 1.526 1.691 -3.249 1.00 0.00 C ATOM 325 CZ3 TRP A 21 3.700 2.143 -2.388 1.00 0.00 C ATOM 326 CH2 TRP A 21 2.540 1.401 -2.371 1.00 0.00 C ATOM 0 H TRP A 21 3.015 8.137 -6.153 1.00 0.00 H new ATOM 0 HA TRP A 21 3.168 6.328 -3.795 1.00 0.00 H new ATOM 0 HB2 TRP A 21 3.270 5.802 -6.693 1.00 0.00 H new ATOM 0 HB3 TRP A 21 4.581 5.067 -5.793 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.965 4.790 -6.576 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -0.008 2.863 -5.276 1.00 0.00 H new ATOM 0 HE3 TRP A 21 4.772 3.768 -3.284 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 0.614 1.112 -3.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 4.494 1.907 -1.695 1.00 0.00 H new ATOM 0 HH2 TRP A 21 2.428 0.590 -1.666 1.00 0.00 H new ATOM 337 N PHE A 22 5.820 6.210 -4.344 1.00 0.00 N ATOM 338 CA PHE A 22 7.279 6.426 -4.224 1.00 0.00 C ATOM 339 C PHE A 22 8.059 5.390 -5.034 1.00 0.00 C ATOM 340 O PHE A 22 9.164 5.620 -5.481 1.00 0.00 O ATOM 341 CB PHE A 22 7.615 6.339 -2.735 1.00 0.00 C ATOM 342 CG PHE A 22 7.003 7.535 -1.974 1.00 0.00 C ATOM 343 CD1 PHE A 22 5.638 7.797 -1.850 1.00 0.00 C ATOM 344 CD2 PHE A 22 7.884 8.395 -1.395 1.00 0.00 C ATOM 345 CE1 PHE A 22 5.179 8.903 -1.147 1.00 0.00 C ATOM 346 CE2 PHE A 22 7.461 9.480 -0.702 1.00 0.00 C ATOM 347 CZ PHE A 22 6.103 9.752 -0.566 1.00 0.00 C ATOM 0 H PHE A 22 5.518 5.263 -4.115 1.00 0.00 H new ATOM 0 HA PHE A 22 7.562 7.399 -4.625 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.233 5.404 -2.324 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.697 6.329 -2.600 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.926 7.127 -2.309 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.944 8.209 -1.490 1.00 0.00 H new ATOM 0 HE1 PHE A 22 4.120 9.096 -1.056 1.00 0.00 H new ATOM 0 HE2 PHE A 22 8.186 10.141 -0.250 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.774 10.618 -0.012 1.00 0.00 H new ATOM 357 N VAL A 23 7.447 4.257 -5.200 1.00 0.00 N ATOM 358 CA VAL A 23 8.074 3.145 -5.955 1.00 0.00 C ATOM 359 C VAL A 23 7.526 3.031 -7.371 1.00 0.00 C ATOM 360 O VAL A 23 6.714 3.836 -7.772 1.00 0.00 O ATOM 361 CB VAL A 23 7.814 1.887 -5.147 1.00 0.00 C ATOM 362 CG1 VAL A 23 8.265 2.217 -3.716 1.00 0.00 C ATOM 363 CG2 VAL A 23 6.325 1.460 -5.157 1.00 0.00 C ATOM 0 H VAL A 23 6.517 4.051 -4.836 1.00 0.00 H new ATOM 0 HA VAL A 23 9.143 3.318 -6.080 1.00 0.00 H new ATOM 0 HB VAL A 23 8.358 1.046 -5.577 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.105 1.350 -3.075 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.324 2.476 -3.719 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.686 3.060 -3.337 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.202 0.555 -4.563 1.00 0.00 H new ATOM 0 HG22 VAL A 23 5.715 2.258 -4.734 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.009 1.267 -6.182 1.00 0.00 H new ATOM 373 N LYS A 24 8.008 2.038 -8.063 1.00 0.00 N ATOM 374 CA LYS A 24 7.550 1.808 -9.469 1.00 0.00 C ATOM 375 C LYS A 24 6.490 0.715 -9.721 1.00 0.00 C ATOM 376 O LYS A 24 5.631 1.004 -10.525 1.00 0.00 O ATOM 377 CB LYS A 24 8.755 1.468 -10.404 1.00 0.00 C ATOM 378 CG LYS A 24 9.643 2.703 -10.710 1.00 0.00 C ATOM 379 CD LYS A 24 10.402 3.211 -9.453 1.00 0.00 C ATOM 380 CE LYS A 24 11.341 4.352 -9.873 1.00 0.00 C ATOM 381 NZ LYS A 24 10.555 5.432 -10.554 1.00 0.00 N ATOM 0 H LYS A 24 8.700 1.373 -7.719 1.00 0.00 H new ATOM 0 HA LYS A 24 7.068 2.761 -9.689 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.364 0.694 -9.937 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.378 1.056 -11.340 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.363 2.446 -11.487 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.021 3.506 -11.105 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.695 3.561 -8.700 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.972 2.399 -9.002 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.850 4.757 -8.998 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.112 3.973 -10.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.116 6.307 -10.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.331 5.138 -11.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.672 5.601 -10.031 1.00 0.00 H new ATOM 395 N PRO A 25 6.447 -0.475 -9.154 1.00 0.00 N ATOM 396 CA PRO A 25 6.909 -0.954 -7.812 1.00 0.00 C ATOM 397 C PRO A 25 8.282 -0.693 -7.220 1.00 0.00 C ATOM 398 O PRO A 25 9.215 -0.232 -7.840 1.00 0.00 O ATOM 399 CB PRO A 25 6.624 -2.479 -7.856 1.00 0.00 C ATOM 400 CG PRO A 25 6.627 -2.810 -9.367 1.00 0.00 C ATOM 401 CD PRO A 25 5.857 -1.614 -9.920 1.00 0.00 C ATOM 0 HA PRO A 25 6.370 -0.313 -7.114 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.387 -3.044 -7.321 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.666 -2.721 -7.395 1.00 0.00 H new ATOM 0 HG2 PRO A 25 7.636 -2.877 -9.774 1.00 0.00 H new ATOM 0 HG3 PRO A 25 6.133 -3.757 -9.584 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.000 -1.499 -10.994 1.00 0.00 H new ATOM 0 HD3 PRO A 25 4.784 -1.707 -9.750 1.00 0.00 H new ATOM 409 N GLY A 26 8.358 -1.054 -5.971 1.00 0.00 N ATOM 410 CA GLY A 26 9.628 -0.881 -5.197 1.00 0.00 C ATOM 411 C GLY A 26 10.355 -2.189 -5.305 1.00 0.00 C ATOM 412 O GLY A 26 10.972 -2.635 -4.367 1.00 0.00 O ATOM 0 H GLY A 26 7.589 -1.466 -5.443 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.226 -0.066 -5.605 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.421 -0.634 -4.156 1.00 0.00 H new ATOM 416 N ASP A 27 10.205 -2.720 -6.492 1.00 0.00 N ATOM 417 CA ASP A 27 10.781 -3.997 -6.975 1.00 0.00 C ATOM 418 C ASP A 27 11.541 -4.684 -5.855 1.00 0.00 C ATOM 419 O ASP A 27 10.901 -5.442 -5.154 1.00 0.00 O ATOM 420 CB ASP A 27 11.613 -3.561 -8.180 1.00 0.00 C ATOM 421 CG ASP A 27 12.478 -4.701 -8.668 1.00 0.00 C ATOM 422 OD1 ASP A 27 11.874 -5.684 -9.067 1.00 0.00 O ATOM 423 OD2 ASP A 27 13.674 -4.554 -8.620 1.00 0.00 O ATOM 0 H ASP A 27 9.645 -2.260 -7.210 1.00 0.00 H new ATOM 0 HA ASP A 27 10.061 -4.758 -7.277 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.955 -3.227 -8.982 1.00 0.00 H new ATOM 0 HB3 ASP A 27 12.240 -2.712 -7.908 1.00 0.00 H new ATOM 428 N GLU A 28 12.809 -4.443 -5.690 1.00 0.00 N ATOM 429 CA GLU A 28 13.564 -5.098 -4.580 1.00 0.00 C ATOM 430 C GLU A 28 13.600 -3.997 -3.530 1.00 0.00 C ATOM 431 O GLU A 28 14.253 -2.982 -3.710 1.00 0.00 O ATOM 432 CB GLU A 28 14.978 -5.480 -5.072 1.00 0.00 C ATOM 433 CG GLU A 28 14.802 -6.535 -6.178 1.00 0.00 C ATOM 434 CD GLU A 28 15.840 -7.661 -6.107 1.00 0.00 C ATOM 435 OE1 GLU A 28 16.995 -7.375 -5.919 1.00 0.00 O ATOM 436 OE2 GLU A 28 15.373 -8.782 -6.265 1.00 0.00 O ATOM 0 H GLU A 28 13.361 -3.818 -6.277 1.00 0.00 H new ATOM 0 HA GLU A 28 13.126 -6.023 -4.204 1.00 0.00 H new ATOM 0 HB2 GLU A 28 15.502 -4.604 -5.455 1.00 0.00 H new ATOM 0 HB3 GLU A 28 15.577 -5.877 -4.252 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.803 -6.965 -6.106 1.00 0.00 H new ATOM 0 HG3 GLU A 28 14.870 -6.048 -7.151 1.00 0.00 H new ATOM 443 N VAL A 29 12.895 -4.220 -2.455 1.00 0.00 N ATOM 444 CA VAL A 29 12.840 -3.207 -1.366 1.00 0.00 C ATOM 445 C VAL A 29 13.650 -3.567 -0.114 1.00 0.00 C ATOM 446 O VAL A 29 14.053 -4.687 0.149 1.00 0.00 O ATOM 447 CB VAL A 29 11.299 -2.987 -1.060 1.00 0.00 C ATOM 448 CG1 VAL A 29 10.602 -4.307 -0.680 1.00 0.00 C ATOM 449 CG2 VAL A 29 11.000 -1.898 0.003 1.00 0.00 C ATOM 0 H VAL A 29 12.352 -5.066 -2.284 1.00 0.00 H new ATOM 0 HA VAL A 29 13.322 -2.286 -1.695 1.00 0.00 H new ATOM 0 HB VAL A 29 10.886 -2.615 -1.997 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.548 -4.117 -0.477 1.00 0.00 H new ATOM 0 HG12 VAL A 29 10.691 -5.016 -1.503 1.00 0.00 H new ATOM 0 HG13 VAL A 29 11.073 -4.724 0.210 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.923 -1.817 0.147 1.00 0.00 H new ATOM 0 HG22 VAL A 29 11.473 -2.171 0.946 1.00 0.00 H new ATOM 0 HG23 VAL A 29 11.394 -0.940 -0.337 1.00 0.00 H new ATOM 459 N ASN A 30 13.822 -2.515 0.622 1.00 0.00 N ATOM 460 CA ASN A 30 14.552 -2.418 1.905 1.00 0.00 C ATOM 461 C ASN A 30 13.631 -2.474 3.085 1.00 0.00 C ATOM 462 O ASN A 30 12.455 -2.717 2.938 1.00 0.00 O ATOM 463 CB ASN A 30 15.327 -1.128 1.801 1.00 0.00 C ATOM 464 CG ASN A 30 14.439 0.043 1.397 1.00 0.00 C ATOM 465 OD1 ASN A 30 13.869 0.046 0.334 1.00 0.00 O ATOM 466 ND2 ASN A 30 14.276 1.049 2.161 1.00 0.00 N ATOM 0 H ASN A 30 13.435 -1.614 0.343 1.00 0.00 H new ATOM 0 HA ASN A 30 15.220 -3.263 2.072 1.00 0.00 H new ATOM 0 HB2 ASN A 30 15.799 -0.911 2.759 1.00 0.00 H new ATOM 0 HB3 ASN A 30 16.128 -1.244 1.070 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.679 1.822 1.866 1.00 0.00 H new ATOM 0 HD22 ASN A 30 14.742 1.082 3.068 1.00 0.00 H new ATOM 473 N GLU A 31 14.171 -2.220 4.232 1.00 0.00 N ATOM 474 CA GLU A 31 13.385 -2.267 5.488 1.00 0.00 C ATOM 475 C GLU A 31 13.488 -0.887 6.147 1.00 0.00 C ATOM 476 O GLU A 31 14.093 -0.723 7.189 1.00 0.00 O ATOM 477 CB GLU A 31 14.021 -3.398 6.295 1.00 0.00 C ATOM 478 CG GLU A 31 13.138 -3.920 7.463 1.00 0.00 C ATOM 479 CD GLU A 31 13.345 -5.414 7.631 1.00 0.00 C ATOM 480 OE1 GLU A 31 12.772 -6.147 6.851 1.00 0.00 O ATOM 481 OE2 GLU A 31 14.080 -5.844 8.500 1.00 0.00 O ATOM 0 H GLU A 31 15.153 -1.974 4.358 1.00 0.00 H new ATOM 0 HA GLU A 31 12.320 -2.469 5.372 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.244 -4.227 5.624 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.972 -3.051 6.700 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.395 -3.401 8.386 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.088 -3.709 7.261 1.00 0.00 H new ATOM 488 N ASP A 32 12.874 0.045 5.474 1.00 0.00 N ATOM 489 CA ASP A 32 12.815 1.468 5.890 1.00 0.00 C ATOM 490 C ASP A 32 12.010 2.298 4.881 1.00 0.00 C ATOM 491 O ASP A 32 11.451 3.302 5.269 1.00 0.00 O ATOM 492 CB ASP A 32 14.251 2.088 6.033 1.00 0.00 C ATOM 493 CG ASP A 32 15.012 1.995 4.751 1.00 0.00 C ATOM 494 OD1 ASP A 32 14.786 2.861 3.935 1.00 0.00 O ATOM 495 OD2 ASP A 32 15.773 1.049 4.611 1.00 0.00 O ATOM 0 H ASP A 32 12.382 -0.140 4.600 1.00 0.00 H new ATOM 0 HA ASP A 32 12.322 1.495 6.862 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.170 3.132 6.336 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.797 1.569 6.821 1.00 0.00 H new ATOM 500 N ASP A 33 11.991 1.866 3.638 1.00 0.00 N ATOM 501 CA ASP A 33 11.244 2.548 2.511 1.00 0.00 C ATOM 502 C ASP A 33 9.991 3.328 2.961 1.00 0.00 C ATOM 503 O ASP A 33 9.348 3.035 3.954 1.00 0.00 O ATOM 504 CB ASP A 33 10.819 1.489 1.443 1.00 0.00 C ATOM 505 CG ASP A 33 10.698 2.112 0.062 1.00 0.00 C ATOM 506 OD1 ASP A 33 9.989 3.081 -0.078 1.00 0.00 O ATOM 507 OD2 ASP A 33 11.331 1.579 -0.816 1.00 0.00 O ATOM 0 H ASP A 33 12.487 1.026 3.340 1.00 0.00 H new ATOM 0 HA ASP A 33 11.938 3.279 2.097 1.00 0.00 H new ATOM 0 HB2 ASP A 33 11.551 0.682 1.417 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.865 1.045 1.728 1.00 0.00 H new ATOM 512 N VAL A 34 9.663 4.300 2.178 1.00 0.00 N ATOM 513 CA VAL A 34 8.548 5.177 2.393 1.00 0.00 C ATOM 514 C VAL A 34 7.151 4.720 2.559 1.00 0.00 C ATOM 515 O VAL A 34 6.746 3.578 2.595 1.00 0.00 O ATOM 516 CB VAL A 34 8.645 6.253 1.231 1.00 0.00 C ATOM 517 CG1 VAL A 34 8.857 7.594 1.879 1.00 0.00 C ATOM 518 CG2 VAL A 34 9.904 6.233 0.340 1.00 0.00 C ATOM 0 H VAL A 34 10.185 4.520 1.330 1.00 0.00 H new ATOM 0 HA VAL A 34 8.690 5.501 3.424 1.00 0.00 H new ATOM 0 HB VAL A 34 7.748 6.053 0.645 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.929 8.363 1.110 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.017 7.817 2.537 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.779 7.575 2.461 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.832 7.022 -0.409 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.788 6.396 0.956 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.982 5.266 -0.158 1.00 0.00 H new ATOM 528 N LEU A 35 6.515 5.842 2.650 1.00 0.00 N ATOM 529 CA LEU A 35 5.133 6.060 2.834 1.00 0.00 C ATOM 530 C LEU A 35 4.629 6.031 1.402 1.00 0.00 C ATOM 531 O LEU A 35 5.312 5.969 0.399 1.00 0.00 O ATOM 532 CB LEU A 35 4.891 7.479 3.478 1.00 0.00 C ATOM 533 CG LEU A 35 5.583 7.785 4.877 1.00 0.00 C ATOM 534 CD1 LEU A 35 5.062 6.866 5.968 1.00 0.00 C ATOM 535 CD2 LEU A 35 7.123 7.726 4.895 1.00 0.00 C ATOM 0 H LEU A 35 7.020 6.726 2.589 1.00 0.00 H new ATOM 0 HA LEU A 35 4.644 5.341 3.492 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.228 8.232 2.766 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.816 7.613 3.599 1.00 0.00 H new ATOM 0 HG LEU A 35 5.308 8.823 5.063 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.556 7.103 6.910 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.986 7.005 6.078 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.269 5.830 5.700 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.484 7.951 5.899 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.452 6.728 4.606 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.523 8.457 4.193 1.00 0.00 H new ATOM 547 N CYS A 36 3.367 6.099 1.459 1.00 0.00 N ATOM 548 CA CYS A 36 2.462 6.118 0.295 1.00 0.00 C ATOM 549 C CYS A 36 1.673 7.356 0.675 1.00 0.00 C ATOM 550 O CYS A 36 1.587 7.659 1.854 1.00 0.00 O ATOM 551 CB CYS A 36 1.504 4.931 0.254 1.00 0.00 C ATOM 552 SG CYS A 36 2.215 3.267 0.197 1.00 0.00 S ATOM 0 H CYS A 36 2.867 6.147 2.347 1.00 0.00 H new ATOM 0 HA CYS A 36 2.970 6.094 -0.669 1.00 0.00 H new ATOM 0 HB2 CYS A 36 0.862 4.990 1.133 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.862 5.050 -0.619 1.00 0.00 H new ATOM 0 HG CYS A 36 2.451 2.938 -1.038 1.00 0.00 H new ATOM 558 N GLU A 37 1.116 8.002 -0.293 1.00 0.00 N ATOM 559 CA GLU A 37 0.336 9.226 -0.007 1.00 0.00 C ATOM 560 C GLU A 37 -1.091 8.939 -0.462 1.00 0.00 C ATOM 561 O GLU A 37 -1.405 8.938 -1.642 1.00 0.00 O ATOM 562 CB GLU A 37 1.087 10.344 -0.765 1.00 0.00 C ATOM 563 CG GLU A 37 2.037 11.042 0.239 1.00 0.00 C ATOM 564 CD GLU A 37 2.739 12.172 -0.447 1.00 0.00 C ATOM 565 OE1 GLU A 37 2.114 12.861 -1.232 1.00 0.00 O ATOM 566 OE2 GLU A 37 3.910 12.336 -0.177 1.00 0.00 O ATOM 0 H GLU A 37 1.165 7.737 -1.277 1.00 0.00 H new ATOM 0 HA GLU A 37 0.254 9.536 1.035 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.652 9.927 -1.599 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.382 11.061 -1.185 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.472 11.415 1.093 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.764 10.328 0.626 1.00 0.00 H new ATOM 573 N VAL A 38 -1.909 8.688 0.523 1.00 0.00 N ATOM 574 CA VAL A 38 -3.350 8.373 0.314 1.00 0.00 C ATOM 575 C VAL A 38 -4.158 9.490 0.981 1.00 0.00 C ATOM 576 O VAL A 38 -3.667 10.134 1.887 1.00 0.00 O ATOM 577 CB VAL A 38 -3.606 6.973 0.965 1.00 0.00 C ATOM 578 CG1 VAL A 38 -5.042 6.453 0.706 1.00 0.00 C ATOM 579 CG2 VAL A 38 -2.574 5.941 0.413 1.00 0.00 C ATOM 0 H VAL A 38 -1.625 8.689 1.503 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.642 8.324 -0.735 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.489 7.091 2.042 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.167 5.479 1.179 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -5.764 7.155 1.124 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.207 6.359 -0.367 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.754 4.967 0.868 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.682 5.862 -0.669 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.564 6.272 0.654 1.00 0.00 H new ATOM 589 N GLN A 39 -5.357 9.689 0.528 1.00 0.00 N ATOM 590 CA GLN A 39 -6.246 10.747 1.093 1.00 0.00 C ATOM 591 C GLN A 39 -7.478 10.060 1.671 1.00 0.00 C ATOM 592 O GLN A 39 -7.760 8.909 1.383 1.00 0.00 O ATOM 593 CB GLN A 39 -6.556 11.690 -0.080 1.00 0.00 C ATOM 594 CG GLN A 39 -7.620 12.772 0.225 1.00 0.00 C ATOM 595 CD GLN A 39 -7.735 13.627 -1.029 1.00 0.00 C ATOM 596 OE1 GLN A 39 -8.596 13.332 -1.948 1.00 0.00 O flip ATOM 597 NE2 GLN A 39 -7.012 14.588 -1.191 1.00 0.00 N flip ATOM 0 H GLN A 39 -5.774 9.151 -0.231 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.805 11.327 1.904 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.633 12.183 -0.386 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.895 11.094 -0.928 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.578 12.315 0.473 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -7.324 13.377 1.082 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.327 14.837 -0.478 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.090 15.147 -2.041 1.00 0.00 H new ATOM 606 N ASN A 40 -8.151 10.794 2.506 1.00 0.00 N ATOM 607 CA ASN A 40 -9.392 10.312 3.173 1.00 0.00 C ATOM 608 C ASN A 40 -10.203 11.542 3.539 1.00 0.00 C ATOM 609 O ASN A 40 -9.868 12.640 3.138 1.00 0.00 O ATOM 610 CB ASN A 40 -9.070 9.477 4.471 1.00 0.00 C ATOM 611 CG ASN A 40 -8.206 10.245 5.471 1.00 0.00 C ATOM 612 OD1 ASN A 40 -8.304 11.436 5.635 1.00 0.00 O ATOM 613 ND2 ASN A 40 -7.327 9.614 6.192 1.00 0.00 N ATOM 0 H ASN A 40 -7.883 11.744 2.764 1.00 0.00 H new ATOM 0 HA ASN A 40 -9.941 9.653 2.501 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -10.004 9.188 4.952 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.559 8.557 4.188 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -6.755 10.127 6.863 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -7.210 8.606 6.087 1.00 0.00 H new ATOM 620 N ASP A 41 -11.247 11.271 4.275 1.00 0.00 N ATOM 621 CA ASP A 41 -12.226 12.270 4.786 1.00 0.00 C ATOM 622 C ASP A 41 -11.750 13.711 4.764 1.00 0.00 C ATOM 623 O ASP A 41 -12.339 14.554 4.110 1.00 0.00 O ATOM 624 CB ASP A 41 -12.600 11.836 6.215 1.00 0.00 C ATOM 625 CG ASP A 41 -11.365 11.606 7.071 1.00 0.00 C ATOM 626 OD1 ASP A 41 -10.869 10.500 6.949 1.00 0.00 O ATOM 627 OD2 ASP A 41 -10.999 12.534 7.767 1.00 0.00 O ATOM 0 H ASP A 41 -11.473 10.319 4.562 1.00 0.00 H new ATOM 0 HA ASP A 41 -13.084 12.274 4.114 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -13.226 12.600 6.676 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -13.191 10.921 6.175 1.00 0.00 H new ATOM 632 N LYS A 42 -10.721 13.946 5.507 1.00 0.00 N ATOM 633 CA LYS A 42 -10.109 15.299 5.609 1.00 0.00 C ATOM 634 C LYS A 42 -8.592 15.214 5.650 1.00 0.00 C ATOM 635 O LYS A 42 -7.927 16.222 5.492 1.00 0.00 O ATOM 636 CB LYS A 42 -10.589 16.013 6.893 1.00 0.00 C ATOM 637 CG LYS A 42 -12.107 16.269 6.819 1.00 0.00 C ATOM 638 CD LYS A 42 -12.529 17.020 8.103 1.00 0.00 C ATOM 639 CE LYS A 42 -13.994 17.483 7.963 1.00 0.00 C ATOM 640 NZ LYS A 42 -14.847 16.333 7.529 1.00 0.00 N ATOM 0 H LYS A 42 -10.257 13.234 6.071 1.00 0.00 H new ATOM 0 HA LYS A 42 -10.418 15.861 4.727 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -10.357 15.403 7.766 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.058 16.957 7.014 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.351 16.858 5.935 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.648 15.327 6.733 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -12.422 16.369 8.971 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -11.878 17.879 8.267 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -14.354 17.877 8.914 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -14.062 18.293 7.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -15.845 16.548 7.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -14.721 16.173 6.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -14.568 15.478 8.051 1.00 0.00 H new ATOM 654 N ALA A 43 -8.056 14.050 5.872 1.00 0.00 N ATOM 655 CA ALA A 43 -6.578 13.907 5.937 1.00 0.00 C ATOM 656 C ALA A 43 -5.912 13.165 4.782 1.00 0.00 C ATOM 657 O ALA A 43 -6.517 12.624 3.876 1.00 0.00 O ATOM 658 CB ALA A 43 -6.287 13.214 7.253 1.00 0.00 C ATOM 0 H ALA A 43 -8.581 13.187 6.012 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.147 14.905 5.857 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.211 13.078 7.363 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.661 13.823 8.076 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.779 12.241 7.269 1.00 0.00 H new ATOM 664 N VAL A 44 -4.619 13.191 4.898 1.00 0.00 N ATOM 665 CA VAL A 44 -3.691 12.558 3.935 1.00 0.00 C ATOM 666 C VAL A 44 -2.938 11.625 4.882 1.00 0.00 C ATOM 667 O VAL A 44 -2.590 12.059 5.966 1.00 0.00 O ATOM 668 CB VAL A 44 -2.788 13.666 3.343 1.00 0.00 C ATOM 669 CG1 VAL A 44 -1.889 13.122 2.202 1.00 0.00 C ATOM 670 CG2 VAL A 44 -3.666 14.835 2.822 1.00 0.00 C ATOM 0 H VAL A 44 -4.143 13.656 5.671 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.125 12.043 3.078 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.132 14.027 4.135 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.269 13.929 1.811 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.250 12.328 2.589 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.515 12.726 1.403 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.026 15.613 2.406 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.340 14.467 2.048 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.249 15.247 3.645 1.00 0.00 H new ATOM 680 N VAL A 45 -2.707 10.408 4.488 1.00 0.00 N ATOM 681 CA VAL A 45 -1.978 9.451 5.362 1.00 0.00 C ATOM 682 C VAL A 45 -0.696 9.035 4.695 1.00 0.00 C ATOM 683 O VAL A 45 -0.511 9.162 3.497 1.00 0.00 O ATOM 684 CB VAL A 45 -2.875 8.215 5.610 1.00 0.00 C ATOM 685 CG1 VAL A 45 -2.339 7.277 6.728 1.00 0.00 C ATOM 686 CG2 VAL A 45 -4.200 8.772 6.021 1.00 0.00 C ATOM 0 H VAL A 45 -2.996 10.030 3.586 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.740 9.924 6.315 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.916 7.602 4.710 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.016 6.431 6.849 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.349 6.913 6.454 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.276 7.828 7.666 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.894 7.954 6.215 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.079 9.368 6.925 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.594 9.400 5.222 1.00 0.00 H new ATOM 696 N GLU A 46 0.119 8.537 5.565 1.00 0.00 N ATOM 697 CA GLU A 46 1.461 8.043 5.199 1.00 0.00 C ATOM 698 C GLU A 46 1.538 6.571 5.669 1.00 0.00 C ATOM 699 O GLU A 46 1.213 6.274 6.805 1.00 0.00 O ATOM 700 CB GLU A 46 2.431 9.005 5.901 1.00 0.00 C ATOM 701 CG GLU A 46 2.403 8.948 7.448 1.00 0.00 C ATOM 702 CD GLU A 46 3.499 9.893 7.946 1.00 0.00 C ATOM 703 OE1 GLU A 46 3.304 11.076 7.724 1.00 0.00 O ATOM 704 OE2 GLU A 46 4.449 9.371 8.502 1.00 0.00 O ATOM 0 H GLU A 46 -0.100 8.449 6.557 1.00 0.00 H new ATOM 0 HA GLU A 46 1.701 8.033 4.136 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.444 8.787 5.563 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.202 10.023 5.586 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.428 9.253 7.828 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.579 7.932 7.801 1.00 0.00 H new ATOM 711 N ILE A 47 1.934 5.672 4.805 1.00 0.00 N ATOM 712 CA ILE A 47 2.035 4.248 5.161 1.00 0.00 C ATOM 713 C ILE A 47 3.495 3.816 4.824 1.00 0.00 C ATOM 714 O ILE A 47 3.706 3.526 3.664 1.00 0.00 O ATOM 715 CB ILE A 47 0.997 3.462 4.309 1.00 0.00 C ATOM 716 CG1 ILE A 47 -0.482 3.832 4.620 1.00 0.00 C ATOM 717 CG2 ILE A 47 1.197 1.994 4.526 1.00 0.00 C ATOM 718 CD1 ILE A 47 -0.841 5.166 3.963 1.00 0.00 C ATOM 0 H ILE A 47 2.196 5.885 3.843 1.00 0.00 H new ATOM 0 HA ILE A 47 1.825 4.054 6.213 1.00 0.00 H new ATOM 0 HB ILE A 47 1.172 3.739 3.269 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.145 3.048 4.255 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.629 3.898 5.698 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.473 1.436 3.932 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.206 1.716 4.223 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.058 1.760 5.581 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.878 5.415 4.187 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.188 5.949 4.349 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.712 5.086 2.884 1.00 0.00 H new ATOM 730 N PRO A 48 4.432 3.786 5.754 1.00 0.00 N ATOM 731 CA PRO A 48 5.894 3.493 5.488 1.00 0.00 C ATOM 732 C PRO A 48 5.986 2.023 5.081 1.00 0.00 C ATOM 733 O PRO A 48 5.016 1.356 4.772 1.00 0.00 O ATOM 734 CB PRO A 48 6.578 3.821 6.823 1.00 0.00 C ATOM 735 CG PRO A 48 5.503 3.395 7.835 1.00 0.00 C ATOM 736 CD PRO A 48 4.195 3.997 7.218 1.00 0.00 C ATOM 0 HA PRO A 48 6.366 4.063 4.688 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.507 3.266 6.954 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.824 4.879 6.908 1.00 0.00 H new ATOM 0 HG2 PRO A 48 5.444 2.311 7.931 1.00 0.00 H new ATOM 0 HG3 PRO A 48 5.702 3.793 8.830 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.301 3.481 7.568 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.072 5.051 7.466 1.00 0.00 H new ATOM 744 N SER A 49 7.191 1.587 5.134 1.00 0.00 N ATOM 745 CA SER A 49 7.542 0.189 4.781 1.00 0.00 C ATOM 746 C SER A 49 7.801 -0.609 6.083 1.00 0.00 C ATOM 747 O SER A 49 8.839 -0.456 6.699 1.00 0.00 O ATOM 748 CB SER A 49 8.773 0.294 3.889 1.00 0.00 C ATOM 749 OG SER A 49 9.005 -0.994 3.332 1.00 0.00 O ATOM 0 H SER A 49 7.987 2.158 5.418 1.00 0.00 H new ATOM 0 HA SER A 49 6.750 -0.342 4.253 1.00 0.00 H new ATOM 0 HB2 SER A 49 8.614 1.030 3.101 1.00 0.00 H new ATOM 0 HB3 SER A 49 9.637 0.625 4.465 1.00 0.00 H new ATOM 0 HG SER A 49 9.792 -0.961 2.749 1.00 0.00 H new ATOM 755 N PRO A 50 6.854 -1.428 6.491 1.00 0.00 N ATOM 756 CA PRO A 50 7.081 -2.534 7.464 1.00 0.00 C ATOM 757 C PRO A 50 8.266 -3.506 7.234 1.00 0.00 C ATOM 758 O PRO A 50 9.066 -3.674 8.130 1.00 0.00 O ATOM 759 CB PRO A 50 5.734 -3.276 7.500 1.00 0.00 C ATOM 760 CG PRO A 50 4.710 -2.153 7.193 1.00 0.00 C ATOM 761 CD PRO A 50 5.422 -1.356 6.071 1.00 0.00 C ATOM 0 HA PRO A 50 7.400 -2.089 8.406 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.693 -4.074 6.759 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.551 -3.734 8.472 1.00 0.00 H new ATOM 0 HG2 PRO A 50 3.753 -2.555 6.862 1.00 0.00 H new ATOM 0 HG3 PRO A 50 4.510 -1.534 8.068 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.263 -1.804 5.090 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.066 -0.327 6.014 1.00 0.00 H new ATOM 769 N VAL A 51 8.346 -4.133 6.088 1.00 0.00 N ATOM 770 CA VAL A 51 9.452 -5.092 5.792 1.00 0.00 C ATOM 771 C VAL A 51 10.024 -4.917 4.392 1.00 0.00 C ATOM 772 O VAL A 51 9.466 -4.244 3.550 1.00 0.00 O ATOM 773 CB VAL A 51 8.862 -6.539 6.042 1.00 0.00 C ATOM 774 CG1 VAL A 51 7.303 -6.590 6.050 1.00 0.00 C ATOM 775 CG2 VAL A 51 9.310 -7.577 5.098 1.00 0.00 C ATOM 0 H VAL A 51 7.675 -4.017 5.328 1.00 0.00 H new ATOM 0 HA VAL A 51 10.306 -4.910 6.444 1.00 0.00 H new ATOM 0 HB VAL A 51 9.264 -6.759 7.031 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.973 -7.614 6.227 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.922 -5.944 6.841 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.923 -6.248 5.088 1.00 0.00 H new ATOM 0 HG21 VAL A 51 8.848 -8.529 5.358 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.020 -7.297 4.085 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.394 -7.674 5.151 1.00 0.00 H new ATOM 785 N LYS A 52 11.128 -5.585 4.244 1.00 0.00 N ATOM 786 CA LYS A 52 11.919 -5.612 2.978 1.00 0.00 C ATOM 787 C LYS A 52 11.503 -6.865 2.230 1.00 0.00 C ATOM 788 O LYS A 52 10.877 -7.741 2.785 1.00 0.00 O ATOM 789 CB LYS A 52 13.404 -5.708 3.326 1.00 0.00 C ATOM 790 CG LYS A 52 13.621 -7.116 3.979 1.00 0.00 C ATOM 791 CD LYS A 52 14.767 -7.124 4.969 1.00 0.00 C ATOM 792 CE LYS A 52 14.476 -8.228 5.999 1.00 0.00 C ATOM 793 NZ LYS A 52 15.013 -7.841 7.319 1.00 0.00 N ATOM 0 H LYS A 52 11.539 -6.146 4.990 1.00 0.00 H new ATOM 0 HA LYS A 52 11.747 -4.718 2.379 1.00 0.00 H new ATOM 0 HB2 LYS A 52 14.019 -5.596 2.433 1.00 0.00 H new ATOM 0 HB3 LYS A 52 13.693 -4.913 4.014 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.706 -7.424 4.485 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.815 -7.850 3.197 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.712 -7.313 4.460 1.00 0.00 H new ATOM 0 HD3 LYS A 52 14.857 -6.155 5.460 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.401 -8.397 6.070 1.00 0.00 H new ATOM 0 HE3 LYS A 52 14.926 -9.167 5.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.345 -8.689 7.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 15.807 -7.181 7.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.266 -7.379 7.876 1.00 0.00 H new ATOM 807 N GLY A 53 11.901 -6.930 1.006 1.00 0.00 N ATOM 808 CA GLY A 53 11.546 -8.115 0.187 1.00 0.00 C ATOM 809 C GLY A 53 11.381 -7.608 -1.228 1.00 0.00 C ATOM 810 O GLY A 53 12.196 -6.824 -1.682 1.00 0.00 O ATOM 0 H GLY A 53 12.456 -6.218 0.531 1.00 0.00 H new ATOM 0 HA2 GLY A 53 12.326 -8.875 0.241 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.626 -8.576 0.546 1.00 0.00 H new ATOM 814 N LYS A 54 10.362 -8.036 -1.897 1.00 0.00 N ATOM 815 CA LYS A 54 10.110 -7.609 -3.292 1.00 0.00 C ATOM 816 C LYS A 54 8.784 -6.861 -3.241 1.00 0.00 C ATOM 817 O LYS A 54 8.029 -6.968 -2.295 1.00 0.00 O ATOM 818 CB LYS A 54 10.049 -8.903 -4.171 1.00 0.00 C ATOM 819 CG LYS A 54 10.336 -8.693 -5.694 1.00 0.00 C ATOM 820 CD LYS A 54 11.817 -8.246 -5.893 1.00 0.00 C ATOM 821 CE LYS A 54 12.145 -7.892 -7.375 1.00 0.00 C ATOM 822 NZ LYS A 54 13.342 -8.632 -7.850 1.00 0.00 N ATOM 0 H LYS A 54 9.669 -8.685 -1.524 1.00 0.00 H new ATOM 0 HA LYS A 54 10.876 -6.963 -3.721 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.768 -9.622 -3.779 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.060 -9.349 -4.063 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.149 -9.618 -6.240 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.661 -7.940 -6.101 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.018 -7.379 -5.264 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.481 -9.043 -5.559 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.290 -8.133 -8.007 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.317 -6.820 -7.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.909 -8.016 -8.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 13.915 -8.926 -7.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.041 -9.473 -8.383 1.00 0.00 H new ATOM 836 N VAL A 55 8.530 -6.145 -4.289 1.00 0.00 N ATOM 837 CA VAL A 55 7.287 -5.349 -4.409 1.00 0.00 C ATOM 838 C VAL A 55 6.764 -5.866 -5.748 1.00 0.00 C ATOM 839 O VAL A 55 6.557 -5.149 -6.704 1.00 0.00 O ATOM 840 CB VAL A 55 7.639 -3.865 -4.430 1.00 0.00 C ATOM 841 CG1 VAL A 55 6.272 -3.159 -4.361 1.00 0.00 C ATOM 842 CG2 VAL A 55 8.366 -3.629 -3.114 1.00 0.00 C ATOM 0 H VAL A 55 9.152 -6.076 -5.094 1.00 0.00 H new ATOM 0 HA VAL A 55 6.561 -5.446 -3.602 1.00 0.00 H new ATOM 0 HB VAL A 55 8.231 -3.533 -5.283 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.419 -2.079 -4.371 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.668 -3.451 -5.220 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.760 -3.447 -3.443 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.658 -2.581 -3.043 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.706 -3.879 -2.284 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.256 -4.258 -3.072 1.00 0.00 H new ATOM 852 N LEU A 56 6.595 -7.155 -5.699 1.00 0.00 N ATOM 853 CA LEU A 56 6.098 -7.978 -6.838 1.00 0.00 C ATOM 854 C LEU A 56 5.154 -7.250 -7.803 1.00 0.00 C ATOM 855 O LEU A 56 5.535 -6.908 -8.904 1.00 0.00 O ATOM 856 CB LEU A 56 5.390 -9.228 -6.243 1.00 0.00 C ATOM 857 CG LEU A 56 6.429 -10.185 -5.594 1.00 0.00 C ATOM 858 CD1 LEU A 56 5.758 -11.043 -4.504 1.00 0.00 C ATOM 859 CD2 LEU A 56 7.048 -11.085 -6.684 1.00 0.00 C ATOM 0 H LEU A 56 6.794 -7.704 -4.863 1.00 0.00 H new ATOM 0 HA LEU A 56 6.964 -8.240 -7.446 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.657 -8.918 -5.498 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.844 -9.752 -7.028 1.00 0.00 H new ATOM 0 HG LEU A 56 7.218 -9.596 -5.126 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.497 -11.708 -4.058 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.343 -10.393 -3.733 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.958 -11.635 -4.948 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.777 -11.757 -6.231 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.263 -11.671 -7.161 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.542 -10.464 -7.431 1.00 0.00 H new ATOM 871 N GLU A 57 3.951 -7.041 -7.346 1.00 0.00 N ATOM 872 CA GLU A 57 2.935 -6.360 -8.186 1.00 0.00 C ATOM 873 C GLU A 57 2.121 -5.327 -7.415 1.00 0.00 C ATOM 874 O GLU A 57 2.099 -5.306 -6.195 1.00 0.00 O ATOM 875 CB GLU A 57 2.010 -7.445 -8.757 1.00 0.00 C ATOM 876 CG GLU A 57 1.559 -8.367 -7.596 1.00 0.00 C ATOM 877 CD GLU A 57 0.628 -9.441 -8.120 1.00 0.00 C ATOM 878 OE1 GLU A 57 1.105 -10.177 -8.960 1.00 0.00 O ATOM 879 OE2 GLU A 57 -0.485 -9.440 -7.635 1.00 0.00 O ATOM 0 H GLU A 57 3.628 -7.316 -6.418 1.00 0.00 H new ATOM 0 HA GLU A 57 3.445 -5.809 -8.976 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.144 -6.990 -9.238 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.531 -8.024 -9.520 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.429 -8.826 -7.126 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.055 -7.779 -6.829 1.00 0.00 H new ATOM 886 N ILE A 58 1.476 -4.505 -8.187 1.00 0.00 N ATOM 887 CA ILE A 58 0.611 -3.426 -7.676 1.00 0.00 C ATOM 888 C ILE A 58 -0.547 -3.562 -8.668 1.00 0.00 C ATOM 889 O ILE A 58 -0.318 -3.862 -9.825 1.00 0.00 O ATOM 890 CB ILE A 58 1.326 -2.081 -7.833 1.00 0.00 C ATOM 891 CG1 ILE A 58 2.702 -2.139 -7.127 1.00 0.00 C ATOM 892 CG2 ILE A 58 0.474 -0.955 -7.182 1.00 0.00 C ATOM 893 CD1 ILE A 58 3.464 -0.812 -7.312 1.00 0.00 C ATOM 0 H ILE A 58 1.521 -4.546 -9.205 1.00 0.00 H new ATOM 0 HA ILE A 58 0.326 -3.481 -6.625 1.00 0.00 H new ATOM 0 HB ILE A 58 1.463 -1.873 -8.894 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.563 -2.340 -6.065 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.290 -2.962 -7.533 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.986 0.001 -7.296 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.499 -0.906 -7.671 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.337 -1.169 -6.122 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.429 -0.873 -6.808 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.621 -0.627 -8.375 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.882 0.004 -6.884 1.00 0.00 H new ATOM 905 N LEU A 59 -1.728 -3.336 -8.194 1.00 0.00 N ATOM 906 CA LEU A 59 -2.935 -3.430 -9.035 1.00 0.00 C ATOM 907 C LEU A 59 -3.494 -2.021 -9.206 1.00 0.00 C ATOM 908 O LEU A 59 -3.695 -1.536 -10.300 1.00 0.00 O ATOM 909 CB LEU A 59 -3.965 -4.331 -8.328 1.00 0.00 C ATOM 910 CG LEU A 59 -3.437 -5.796 -8.174 1.00 0.00 C ATOM 911 CD1 LEU A 59 -2.536 -5.975 -6.929 1.00 0.00 C ATOM 912 CD2 LEU A 59 -4.637 -6.753 -7.990 1.00 0.00 C ATOM 0 H LEU A 59 -1.911 -3.081 -7.224 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.705 -3.858 -10.011 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.194 -3.921 -7.345 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.895 -4.336 -8.896 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.859 -6.015 -9.072 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.198 -7.009 -6.871 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.672 -5.314 -7.007 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.102 -5.727 -6.031 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.274 -7.775 -7.882 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.195 -6.470 -7.097 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.290 -6.690 -8.861 1.00 0.00 H new ATOM 924 N VAL A 60 -3.726 -1.398 -8.089 1.00 0.00 N ATOM 925 CA VAL A 60 -4.280 -0.015 -8.068 1.00 0.00 C ATOM 926 C VAL A 60 -3.141 0.852 -7.489 1.00 0.00 C ATOM 927 O VAL A 60 -3.180 1.173 -6.322 1.00 0.00 O ATOM 928 CB VAL A 60 -5.558 -0.033 -7.156 1.00 0.00 C ATOM 929 CG1 VAL A 60 -6.413 1.218 -7.404 1.00 0.00 C ATOM 930 CG2 VAL A 60 -6.427 -1.299 -7.416 1.00 0.00 C ATOM 0 H VAL A 60 -3.551 -1.797 -7.167 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.585 0.375 -9.039 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.216 -0.048 -6.121 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -7.295 1.189 -6.764 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.828 2.109 -7.176 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.724 1.245 -8.448 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.303 -1.278 -6.768 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.747 -1.313 -8.458 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.840 -2.193 -7.205 1.00 0.00 H new ATOM 940 N PRO A 61 -2.146 1.201 -8.276 1.00 0.00 N ATOM 941 CA PRO A 61 -1.008 2.030 -7.781 1.00 0.00 C ATOM 942 C PRO A 61 -1.450 3.358 -7.143 1.00 0.00 C ATOM 943 O PRO A 61 -1.608 3.439 -5.942 1.00 0.00 O ATOM 944 CB PRO A 61 -0.104 2.195 -9.038 1.00 0.00 C ATOM 945 CG PRO A 61 -1.092 1.997 -10.226 1.00 0.00 C ATOM 946 CD PRO A 61 -2.004 0.856 -9.725 1.00 0.00 C ATOM 0 HA PRO A 61 -0.474 1.559 -6.956 1.00 0.00 H new ATOM 0 HB2 PRO A 61 0.367 3.178 -9.067 1.00 0.00 H new ATOM 0 HB3 PRO A 61 0.698 1.457 -9.055 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -1.658 2.904 -10.437 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -0.571 1.725 -11.144 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.965 0.843 -10.240 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.551 -0.125 -9.871 1.00 0.00 H new ATOM 954 N GLU A 62 -1.623 4.348 -7.964 1.00 0.00 N ATOM 955 CA GLU A 62 -2.050 5.699 -7.518 1.00 0.00 C ATOM 956 C GLU A 62 -3.037 6.184 -8.549 1.00 0.00 C ATOM 957 O GLU A 62 -3.215 5.562 -9.581 1.00 0.00 O ATOM 958 CB GLU A 62 -0.804 6.593 -7.445 1.00 0.00 C ATOM 959 CG GLU A 62 0.045 6.506 -8.742 1.00 0.00 C ATOM 960 CD GLU A 62 1.502 6.751 -8.382 1.00 0.00 C ATOM 961 OE1 GLU A 62 1.794 7.773 -7.786 1.00 0.00 O ATOM 962 OE2 GLU A 62 2.241 5.858 -8.738 1.00 0.00 O ATOM 0 H GLU A 62 -1.479 4.273 -8.971 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.517 5.705 -6.533 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.107 7.626 -7.278 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.194 6.298 -6.591 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.071 5.526 -9.206 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.295 7.245 -9.468 1.00 0.00 H new ATOM 969 N GLY A 63 -3.673 7.267 -8.249 1.00 0.00 N ATOM 970 CA GLY A 63 -4.661 7.835 -9.207 1.00 0.00 C ATOM 971 C GLY A 63 -5.986 7.093 -9.169 1.00 0.00 C ATOM 972 O GLY A 63 -7.025 7.697 -9.323 1.00 0.00 O ATOM 0 H GLY A 63 -3.557 7.791 -7.381 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.828 8.887 -8.974 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.252 7.794 -10.216 1.00 0.00 H new ATOM 976 N THR A 64 -5.940 5.809 -8.971 1.00 0.00 N ATOM 977 CA THR A 64 -7.202 5.017 -8.928 1.00 0.00 C ATOM 978 C THR A 64 -7.568 4.773 -7.446 1.00 0.00 C ATOM 979 O THR A 64 -6.781 5.077 -6.570 1.00 0.00 O ATOM 980 CB THR A 64 -6.893 3.723 -9.712 1.00 0.00 C ATOM 981 OG1 THR A 64 -6.258 4.156 -10.914 1.00 0.00 O ATOM 982 CG2 THR A 64 -8.137 3.024 -10.276 1.00 0.00 C ATOM 0 H THR A 64 -5.084 5.271 -8.837 1.00 0.00 H new ATOM 0 HA THR A 64 -8.064 5.511 -9.377 1.00 0.00 H new ATOM 0 HB THR A 64 -6.349 3.063 -9.036 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.031 3.377 -11.463 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.837 2.124 -10.813 1.00 0.00 H new ATOM 0 HG22 THR A 64 -8.804 2.753 -9.458 1.00 0.00 H new ATOM 0 HG23 THR A 64 -8.655 3.698 -10.959 1.00 0.00 H new ATOM 990 N VAL A 65 -8.733 4.232 -7.207 1.00 0.00 N ATOM 991 CA VAL A 65 -9.182 3.962 -5.814 1.00 0.00 C ATOM 992 C VAL A 65 -9.298 2.443 -5.679 1.00 0.00 C ATOM 993 O VAL A 65 -9.704 1.785 -6.620 1.00 0.00 O ATOM 994 CB VAL A 65 -10.553 4.666 -5.617 1.00 0.00 C ATOM 995 CG1 VAL A 65 -11.109 4.431 -4.189 1.00 0.00 C ATOM 996 CG2 VAL A 65 -10.396 6.192 -5.862 1.00 0.00 C ATOM 0 H VAL A 65 -9.400 3.963 -7.930 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.493 4.338 -5.058 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.256 4.241 -6.333 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -12.069 4.937 -4.084 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -11.242 3.362 -4.022 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.408 4.829 -3.455 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.359 6.684 -5.723 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.674 6.602 -5.155 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.045 6.363 -6.880 1.00 0.00 H new ATOM 1006 N ALA A 66 -8.943 1.940 -4.531 1.00 0.00 N ATOM 1007 CA ALA A 66 -9.002 0.485 -4.244 1.00 0.00 C ATOM 1008 C ALA A 66 -9.803 0.294 -2.973 1.00 0.00 C ATOM 1009 O ALA A 66 -9.931 1.208 -2.184 1.00 0.00 O ATOM 1010 CB ALA A 66 -7.616 0.020 -4.043 1.00 0.00 C ATOM 0 H ALA A 66 -8.602 2.503 -3.752 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.469 -0.074 -5.055 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.618 -1.049 -3.829 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.035 0.208 -4.946 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.170 0.557 -3.206 1.00 0.00 H new ATOM 1016 N THR A 67 -10.294 -0.889 -2.782 1.00 0.00 N ATOM 1017 CA THR A 67 -11.099 -1.177 -1.571 1.00 0.00 C ATOM 1018 C THR A 67 -10.156 -2.006 -0.684 1.00 0.00 C ATOM 1019 O THR A 67 -8.937 -1.938 -0.774 1.00 0.00 O ATOM 1020 CB THR A 67 -12.398 -1.917 -2.100 1.00 0.00 C ATOM 1021 OG1 THR A 67 -13.174 -2.323 -0.980 1.00 0.00 O ATOM 1022 CG2 THR A 67 -12.068 -3.191 -2.876 1.00 0.00 C ATOM 0 H THR A 67 -10.172 -1.677 -3.418 1.00 0.00 H new ATOM 0 HA THR A 67 -11.449 -0.334 -0.975 1.00 0.00 H new ATOM 0 HB THR A 67 -12.921 -1.220 -2.755 1.00 0.00 H new ATOM 0 HG1 THR A 67 -13.212 -1.594 -0.327 1.00 0.00 H new ATOM 0 HG21 THR A 67 -12.992 -3.659 -3.216 1.00 0.00 H new ATOM 0 HG22 THR A 67 -11.449 -2.942 -3.738 1.00 0.00 H new ATOM 0 HG23 THR A 67 -11.528 -3.882 -2.229 1.00 0.00 H new ATOM 1030 N VAL A 68 -10.797 -2.726 0.156 1.00 0.00 N ATOM 1031 CA VAL A 68 -10.233 -3.667 1.138 1.00 0.00 C ATOM 1032 C VAL A 68 -10.997 -4.888 0.603 1.00 0.00 C ATOM 1033 O VAL A 68 -12.010 -4.761 -0.066 1.00 0.00 O ATOM 1034 CB VAL A 68 -10.714 -3.369 2.504 1.00 0.00 C ATOM 1035 CG1 VAL A 68 -10.297 -4.488 3.487 1.00 0.00 C ATOM 1036 CG2 VAL A 68 -10.003 -2.139 2.859 1.00 0.00 C ATOM 0 H VAL A 68 -11.815 -2.695 0.206 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.147 -3.708 1.220 1.00 0.00 H new ATOM 0 HB VAL A 68 -11.800 -3.284 2.550 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -10.661 -4.249 4.486 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -10.726 -5.436 3.162 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.210 -4.569 3.506 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -10.291 -1.829 3.864 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.928 -2.318 2.829 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -10.260 -1.353 2.149 1.00 0.00 H new ATOM 1046 N GLY A 69 -10.498 -6.052 0.885 1.00 0.00 N ATOM 1047 CA GLY A 69 -11.211 -7.267 0.383 1.00 0.00 C ATOM 1048 C GLY A 69 -10.500 -7.621 -0.925 1.00 0.00 C ATOM 1049 O GLY A 69 -10.437 -8.761 -1.330 1.00 0.00 O ATOM 0 H GLY A 69 -9.650 -6.222 1.426 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.152 -8.086 1.100 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.269 -7.065 0.217 1.00 0.00 H new ATOM 1053 N GLN A 70 -9.991 -6.592 -1.539 1.00 0.00 N ATOM 1054 CA GLN A 70 -9.257 -6.677 -2.810 1.00 0.00 C ATOM 1055 C GLN A 70 -7.855 -6.371 -2.300 1.00 0.00 C ATOM 1056 O GLN A 70 -7.688 -5.744 -1.264 1.00 0.00 O ATOM 1057 CB GLN A 70 -9.707 -5.558 -3.741 1.00 0.00 C ATOM 1058 CG GLN A 70 -9.422 -5.872 -5.218 1.00 0.00 C ATOM 1059 CD GLN A 70 -9.788 -4.617 -6.005 1.00 0.00 C ATOM 1060 OE1 GLN A 70 -10.841 -4.045 -5.821 1.00 0.00 O ATOM 1061 NE2 GLN A 70 -8.969 -4.137 -6.884 1.00 0.00 N ATOM 0 H GLN A 70 -10.066 -5.641 -1.178 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.375 -7.609 -3.362 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -10.775 -5.387 -3.609 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.200 -4.634 -3.465 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.373 -6.130 -5.365 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -10.010 -6.726 -5.554 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -8.077 -4.601 -7.057 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -9.215 -3.295 -7.404 1.00 0.00 H new ATOM 1070 N THR A 71 -6.903 -6.812 -3.047 1.00 0.00 N ATOM 1071 CA THR A 71 -5.507 -6.577 -2.671 1.00 0.00 C ATOM 1072 C THR A 71 -5.260 -5.198 -3.312 1.00 0.00 C ATOM 1073 O THR A 71 -6.152 -4.563 -3.848 1.00 0.00 O ATOM 1074 CB THR A 71 -4.698 -7.683 -3.313 1.00 0.00 C ATOM 1075 OG1 THR A 71 -5.546 -8.830 -3.244 1.00 0.00 O ATOM 1076 CG2 THR A 71 -3.414 -8.070 -2.559 1.00 0.00 C ATOM 0 H THR A 71 -7.037 -7.332 -3.914 1.00 0.00 H new ATOM 0 HA THR A 71 -5.257 -6.581 -1.610 1.00 0.00 H new ATOM 0 HB THR A 71 -4.395 -7.349 -4.305 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.518 -9.203 -2.338 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.904 -8.870 -3.096 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.757 -7.203 -2.490 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.670 -8.412 -1.556 1.00 0.00 H new ATOM 1084 N LEU A 72 -4.038 -4.779 -3.238 1.00 0.00 N ATOM 1085 CA LEU A 72 -3.661 -3.454 -3.815 1.00 0.00 C ATOM 1086 C LEU A 72 -2.250 -3.649 -4.325 1.00 0.00 C ATOM 1087 O LEU A 72 -1.970 -3.536 -5.499 1.00 0.00 O ATOM 1088 CB LEU A 72 -3.741 -2.385 -2.705 1.00 0.00 C ATOM 1089 CG LEU A 72 -3.871 -0.978 -3.362 1.00 0.00 C ATOM 1090 CD1 LEU A 72 -4.753 -0.084 -2.481 1.00 0.00 C ATOM 1091 CD2 LEU A 72 -2.486 -0.324 -3.553 1.00 0.00 C ATOM 0 H LEU A 72 -3.273 -5.294 -2.802 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.317 -3.116 -4.617 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.596 -2.578 -2.057 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.850 -2.427 -2.078 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.328 -1.095 -4.345 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.845 0.901 -2.939 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.742 -0.532 -2.382 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.300 0.016 -1.495 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.607 0.657 -4.013 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.000 -0.212 -2.584 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.872 -0.954 -4.197 1.00 0.00 H new ATOM 1103 N ILE A 73 -1.388 -3.928 -3.400 1.00 0.00 N ATOM 1104 CA ILE A 73 0.048 -4.169 -3.685 1.00 0.00 C ATOM 1105 C ILE A 73 0.357 -5.347 -2.784 1.00 0.00 C ATOM 1106 O ILE A 73 -0.410 -5.612 -1.869 1.00 0.00 O ATOM 1107 CB ILE A 73 0.855 -2.876 -3.304 1.00 0.00 C ATOM 1108 CG1 ILE A 73 2.398 -3.155 -3.321 1.00 0.00 C ATOM 1109 CG2 ILE A 73 0.395 -2.309 -1.930 1.00 0.00 C ATOM 1110 CD1 ILE A 73 3.188 -1.865 -3.007 1.00 0.00 C ATOM 0 H ILE A 73 -1.630 -4.003 -2.412 1.00 0.00 H new ATOM 0 HA ILE A 73 0.301 -4.379 -4.724 1.00 0.00 H new ATOM 0 HB ILE A 73 0.646 -2.115 -4.056 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.642 -3.924 -2.588 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.693 -3.540 -4.297 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.972 -1.415 -1.694 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.664 -2.056 -1.977 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.555 -3.059 -1.155 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.257 -2.080 -3.024 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.959 -1.107 -3.755 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.907 -1.497 -2.020 1.00 0.00 H new ATOM 1122 N THR A 74 1.431 -6.002 -3.077 1.00 0.00 N ATOM 1123 CA THR A 74 1.856 -7.167 -2.264 1.00 0.00 C ATOM 1124 C THR A 74 3.357 -6.975 -2.104 1.00 0.00 C ATOM 1125 O THR A 74 4.010 -6.274 -2.861 1.00 0.00 O ATOM 1126 CB THR A 74 1.490 -8.470 -3.032 1.00 0.00 C ATOM 1127 OG1 THR A 74 2.179 -9.540 -2.390 1.00 0.00 O ATOM 1128 CG2 THR A 74 2.067 -8.425 -4.432 1.00 0.00 C ATOM 0 H THR A 74 2.047 -5.779 -3.859 1.00 0.00 H new ATOM 0 HA THR A 74 1.373 -7.244 -1.290 1.00 0.00 H new ATOM 0 HB THR A 74 0.406 -8.585 -3.051 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.972 -10.383 -2.846 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.806 -9.341 -4.963 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.659 -7.567 -4.966 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.152 -8.335 -4.376 1.00 0.00 H new ATOM 1136 N LEU A 75 3.819 -7.638 -1.106 1.00 0.00 N ATOM 1137 CA LEU A 75 5.242 -7.640 -0.701 1.00 0.00 C ATOM 1138 C LEU A 75 5.530 -9.064 -0.279 1.00 0.00 C ATOM 1139 O LEU A 75 4.641 -9.705 0.266 1.00 0.00 O ATOM 1140 CB LEU A 75 5.373 -6.676 0.447 1.00 0.00 C ATOM 1141 CG LEU A 75 6.681 -5.820 0.393 1.00 0.00 C ATOM 1142 CD1 LEU A 75 6.537 -4.587 1.306 1.00 0.00 C ATOM 1143 CD2 LEU A 75 7.916 -6.635 0.845 1.00 0.00 C ATOM 0 H LEU A 75 3.230 -8.220 -0.511 1.00 0.00 H new ATOM 0 HA LEU A 75 5.938 -7.336 -1.482 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.511 -6.009 0.452 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.350 -7.233 1.384 1.00 0.00 H new ATOM 0 HG LEU A 75 6.829 -5.512 -0.642 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.451 -3.995 1.264 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.696 -3.981 0.969 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.362 -4.912 2.332 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.805 -6.007 0.794 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.771 -6.976 1.870 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.043 -7.497 0.190 1.00 0.00 H new ATOM 1155 N ASP A 76 6.720 -9.529 -0.517 1.00 0.00 N ATOM 1156 CA ASP A 76 7.032 -10.925 -0.096 1.00 0.00 C ATOM 1157 C ASP A 76 7.954 -10.618 1.070 1.00 0.00 C ATOM 1158 O ASP A 76 8.506 -9.541 1.179 1.00 0.00 O ATOM 1159 CB ASP A 76 7.764 -11.718 -1.219 1.00 0.00 C ATOM 1160 CG ASP A 76 9.265 -11.576 -1.140 1.00 0.00 C ATOM 1161 OD1 ASP A 76 9.730 -10.554 -1.585 1.00 0.00 O ATOM 1162 OD2 ASP A 76 9.832 -12.520 -0.624 1.00 0.00 O ATOM 0 H ASP A 76 7.477 -9.020 -0.974 1.00 0.00 H new ATOM 0 HA ASP A 76 6.170 -11.550 0.138 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.497 -12.773 -1.148 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.419 -11.367 -2.192 1.00 0.00 H new ATOM 1167 N ALA A 77 8.078 -11.583 1.916 1.00 0.00 N ATOM 1168 CA ALA A 77 8.948 -11.427 3.120 1.00 0.00 C ATOM 1169 C ALA A 77 9.765 -12.693 3.376 1.00 0.00 C ATOM 1170 O ALA A 77 10.897 -12.596 3.802 1.00 0.00 O ATOM 1171 CB ALA A 77 8.068 -11.089 4.377 1.00 0.00 C ATOM 0 H ALA A 77 7.614 -12.487 1.834 1.00 0.00 H new ATOM 0 HA ALA A 77 9.642 -10.607 2.936 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.710 -10.977 5.251 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.526 -10.159 4.203 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.356 -11.896 4.551 1.00 0.00 H new ATOM 1177 N PRO A 78 9.209 -13.863 3.142 1.00 0.00 N ATOM 1178 CA PRO A 78 7.769 -14.233 3.123 1.00 0.00 C ATOM 1179 C PRO A 78 7.371 -15.005 4.398 1.00 0.00 C ATOM 1180 O PRO A 78 8.103 -15.860 4.849 1.00 0.00 O ATOM 1181 CB PRO A 78 7.690 -15.038 1.841 1.00 0.00 C ATOM 1182 CG PRO A 78 9.057 -15.853 1.861 1.00 0.00 C ATOM 1183 CD PRO A 78 10.024 -15.051 2.796 1.00 0.00 C ATOM 0 HA PRO A 78 7.067 -13.399 3.130 1.00 0.00 H new ATOM 0 HB2 PRO A 78 6.824 -15.699 1.830 1.00 0.00 H new ATOM 0 HB3 PRO A 78 7.613 -14.397 0.963 1.00 0.00 H new ATOM 0 HG2 PRO A 78 8.902 -16.865 2.235 1.00 0.00 H new ATOM 0 HG3 PRO A 78 9.472 -15.944 0.857 1.00 0.00 H new ATOM 0 HD2 PRO A 78 10.304 -15.624 3.680 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.948 -14.777 2.287 1.00 0.00 H new ATOM 1191 N GLY A 79 6.230 -14.689 4.930 1.00 0.00 N ATOM 1192 CA GLY A 79 5.741 -15.377 6.168 1.00 0.00 C ATOM 1193 C GLY A 79 5.673 -14.307 7.241 1.00 0.00 C ATOM 1194 O GLY A 79 6.055 -14.516 8.376 1.00 0.00 O ATOM 0 H GLY A 79 5.601 -13.975 4.561 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.762 -15.827 6.003 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.417 -16.181 6.461 1.00 0.00 H new ATOM 1198 N TYR A 80 5.186 -13.194 6.780 1.00 0.00 N ATOM 1199 CA TYR A 80 4.975 -11.940 7.541 1.00 0.00 C ATOM 1200 C TYR A 80 3.572 -11.578 7.020 1.00 0.00 C ATOM 1201 O TYR A 80 3.331 -11.873 5.847 1.00 0.00 O ATOM 1202 CB TYR A 80 5.907 -10.772 7.124 1.00 0.00 C ATOM 1203 CG TYR A 80 7.416 -10.896 7.464 1.00 0.00 C ATOM 1204 CD1 TYR A 80 8.107 -12.093 7.467 1.00 0.00 C ATOM 1205 CD2 TYR A 80 8.131 -9.748 7.764 1.00 0.00 C ATOM 1206 CE1 TYR A 80 9.457 -12.144 7.753 1.00 0.00 C ATOM 1207 CE2 TYR A 80 9.481 -9.795 8.054 1.00 0.00 C ATOM 1208 CZ TYR A 80 10.155 -10.992 8.049 1.00 0.00 C ATOM 1209 OH TYR A 80 11.502 -11.007 8.340 1.00 0.00 O ATOM 1210 OXT TYR A 80 2.842 -11.028 7.815 1.00 0.00 O ATOM 0 H TYR A 80 4.899 -13.103 5.805 1.00 0.00 H new ATOM 0 HA TYR A 80 5.135 -12.075 8.611 1.00 0.00 H new ATOM 0 HB2 TYR A 80 5.816 -10.639 6.046 1.00 0.00 H new ATOM 0 HB3 TYR A 80 5.532 -9.861 7.590 1.00 0.00 H new ATOM 0 HD1 TYR A 80 7.580 -13.008 7.241 1.00 0.00 H new ATOM 0 HD2 TYR A 80 7.622 -8.795 7.771 1.00 0.00 H new ATOM 0 HE1 TYR A 80 9.971 -13.094 7.745 1.00 0.00 H new ATOM 0 HE2 TYR A 80 10.011 -8.883 8.287 1.00 0.00 H new ATOM 0 HH TYR A 80 11.808 -10.094 8.520 1.00 0.00 H new