USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 635 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 65 GLN : amide:sc= 0 X(o=-0.076,f=-0.076) USER MOD Set 1.2: A 66 GLN : amide:sc= -0.076 X(o=-0.076,f=-0.076) USER MOD Set 2.1: A 28 LYS NZ :NH3+ -170:sc= -0.092 (180deg=0) USER MOD Set 2.2: A 36 MET CE :methyl 161:sc= -0.926 (180deg=-2.09!) USER MOD Set 3.1: A 15 THR OG1 : rot 180:sc= -0.142 USER MOD Set 3.2: A 18 GLN : amide:sc= 0.05 K(o=-0.093,f=-5.4!) USER MOD Single : A 1 GLY N :NH3+ -106:sc= 0.0239 (180deg=0) USER MOD Single : A 2 SER OG : rot 32:sc= 0.293 USER MOD Single : A 3 SER OG : rot 180:sc= 0.00145 USER MOD Single : A 5 SER OG : rot 61:sc= 0.198 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.0336 X(o=-0.034,f=-0.32) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc=-0.00999 X(o=-0.01,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 174:sc= -4.87! (180deg=-5.24!) USER MOD Single : A 57 ASN : amide:sc= -0.202 K(o=-0.2,f=-2.2!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot -85:sc= -0.324 USER MOD Single : A 64 GLN : amide:sc= -0.361 X(o=-0.36,f=-0.4) USER MOD Single : A 67 GLN : amide:sc= -0.199 X(o=-0.2,f=-0.0028) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.032 K(o=-0.032,f=-1.7!) USER MOD Single : A 70 GLN : amide:sc= -0.449 K(o=-0.45,f=-2.2!) USER MOD Single : A 71 ASN : amide:sc= -0.469 K(o=-0.47,f=0.65) USER MOD Single : A 74 GLN : amide:sc=-0.00851 X(o=-0.0085,f=-0.2) USER MOD Single : A 75 SER OG : rot 180:sc= -0.127 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.865 25.823 8.177 1.00 0.00 N ATOM 2 CA GLY A 1 -8.459 24.567 8.599 1.00 0.00 C ATOM 3 C GLY A 1 -8.368 23.495 7.531 1.00 0.00 C ATOM 4 O GLY A 1 -8.343 23.798 6.338 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.955 25.957 8.663 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.709 25.805 7.149 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.504 26.607 8.417 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.960 24.218 9.503 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.505 24.732 8.856 1.00 0.00 H new ATOM 8 N SER A 2 -8.317 22.238 7.960 1.00 0.00 N ATOM 9 CA SER A 2 -8.223 21.117 7.032 1.00 0.00 C ATOM 10 C SER A 2 -9.335 20.105 7.288 1.00 0.00 C ATOM 11 O SER A 2 -9.465 19.576 8.392 1.00 0.00 O ATOM 12 CB SER A 2 -6.859 20.437 7.158 1.00 0.00 C ATOM 13 OG SER A 2 -6.621 20.014 8.490 1.00 0.00 O ATOM 0 H SER A 2 -8.339 21.970 8.944 1.00 0.00 H new ATOM 0 HA SER A 2 -8.335 21.505 6.019 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.813 19.579 6.487 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.075 21.127 6.847 1.00 0.00 H new ATOM 0 HG SER A 2 -7.470 19.764 8.910 1.00 0.00 H new ATOM 19 N SER A 3 -10.134 19.840 6.260 1.00 0.00 N ATOM 20 CA SER A 3 -11.238 18.894 6.373 1.00 0.00 C ATOM 21 C SER A 3 -11.114 17.787 5.330 1.00 0.00 C ATOM 22 O SER A 3 -10.234 17.824 4.472 1.00 0.00 O ATOM 23 CB SER A 3 -12.576 19.617 6.210 1.00 0.00 C ATOM 24 OG SER A 3 -13.636 18.860 6.767 1.00 0.00 O ATOM 0 H SER A 3 -10.038 20.267 5.339 1.00 0.00 H new ATOM 0 HA SER A 3 -11.196 18.442 7.364 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.527 20.592 6.695 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.770 19.796 5.152 1.00 0.00 H new ATOM 0 HG SER A 3 -14.480 19.345 6.651 1.00 0.00 H new ATOM 30 N GLY A 4 -12.004 16.802 5.413 1.00 0.00 N ATOM 31 CA GLY A 4 -11.978 15.698 4.471 1.00 0.00 C ATOM 32 C GLY A 4 -11.385 14.439 5.071 1.00 0.00 C ATOM 33 O GLY A 4 -10.999 14.422 6.240 1.00 0.00 O ATOM 0 H GLY A 4 -12.742 16.749 6.115 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.992 15.491 4.130 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.399 15.986 3.594 1.00 0.00 H new ATOM 37 N SER A 5 -11.313 13.381 4.270 1.00 0.00 N ATOM 38 CA SER A 5 -10.768 12.109 4.730 1.00 0.00 C ATOM 39 C SER A 5 -9.663 11.623 3.797 1.00 0.00 C ATOM 40 O SER A 5 -9.594 10.440 3.462 1.00 0.00 O ATOM 41 CB SER A 5 -11.876 11.057 4.819 1.00 0.00 C ATOM 42 OG SER A 5 -12.314 10.668 3.528 1.00 0.00 O ATOM 0 H SER A 5 -11.625 13.379 3.299 1.00 0.00 H new ATOM 0 HA SER A 5 -10.342 12.262 5.722 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.511 10.185 5.361 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.716 11.456 5.387 1.00 0.00 H new ATOM 0 HG SER A 5 -11.563 10.281 3.031 1.00 0.00 H new ATOM 48 N SER A 6 -8.800 12.544 3.382 1.00 0.00 N ATOM 49 CA SER A 6 -7.699 12.212 2.485 1.00 0.00 C ATOM 50 C SER A 6 -8.200 11.418 1.282 1.00 0.00 C ATOM 51 O SER A 6 -7.543 10.485 0.823 1.00 0.00 O ATOM 52 CB SER A 6 -6.631 11.410 3.230 1.00 0.00 C ATOM 53 OG SER A 6 -6.042 12.181 4.263 1.00 0.00 O ATOM 0 H SER A 6 -8.842 13.527 3.653 1.00 0.00 H new ATOM 0 HA SER A 6 -7.260 13.143 2.127 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.077 10.510 3.653 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.861 11.086 2.530 1.00 0.00 H new ATOM 0 HG SER A 6 -5.364 11.645 4.725 1.00 0.00 H new ATOM 59 N GLY A 7 -9.370 11.797 0.776 1.00 0.00 N ATOM 60 CA GLY A 7 -9.940 11.111 -0.369 1.00 0.00 C ATOM 61 C GLY A 7 -11.414 11.416 -0.553 1.00 0.00 C ATOM 62 O GLY A 7 -12.074 11.899 0.367 1.00 0.00 O ATOM 0 H GLY A 7 -9.933 12.567 1.139 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.397 11.400 -1.269 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.807 10.036 -0.248 1.00 0.00 H new ATOM 66 N ARG A 8 -11.930 11.134 -1.744 1.00 0.00 N ATOM 67 CA ARG A 8 -13.335 11.384 -2.046 1.00 0.00 C ATOM 68 C ARG A 8 -13.900 10.289 -2.946 1.00 0.00 C ATOM 69 O ARG A 8 -13.158 9.609 -3.654 1.00 0.00 O ATOM 70 CB ARG A 8 -13.498 12.748 -2.720 1.00 0.00 C ATOM 71 CG ARG A 8 -14.855 13.389 -2.475 1.00 0.00 C ATOM 72 CD ARG A 8 -14.847 14.247 -1.220 1.00 0.00 C ATOM 73 NE ARG A 8 -15.017 13.448 -0.009 1.00 0.00 N ATOM 74 CZ ARG A 8 -16.127 12.776 0.278 1.00 0.00 C ATOM 75 NH1 ARG A 8 -17.158 12.806 -0.555 1.00 0.00 N ATOM 76 NH2 ARG A 8 -16.206 12.071 1.399 1.00 0.00 N ATOM 0 H ARG A 8 -11.397 10.733 -2.516 1.00 0.00 H new ATOM 0 HA ARG A 8 -13.889 11.381 -1.108 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -12.718 13.418 -2.358 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -13.348 12.634 -3.794 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -15.130 14.001 -3.334 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -15.614 12.612 -2.381 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -13.907 14.797 -1.163 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -15.645 14.986 -1.281 1.00 0.00 H new ATOM 0 HE ARG A 8 -14.242 13.403 0.652 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -17.100 13.346 -1.419 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -18.009 12.289 -0.332 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -15.414 12.044 2.042 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -17.058 11.556 1.618 1.00 0.00 H new ATOM 90 N ARG A 9 -15.219 10.125 -2.912 1.00 0.00 N ATOM 91 CA ARG A 9 -15.884 9.112 -3.723 1.00 0.00 C ATOM 92 C ARG A 9 -15.015 7.865 -3.855 1.00 0.00 C ATOM 93 O ARG A 9 -14.883 7.301 -4.941 1.00 0.00 O ATOM 94 CB ARG A 9 -16.208 9.670 -5.110 1.00 0.00 C ATOM 95 CG ARG A 9 -14.984 10.144 -5.877 1.00 0.00 C ATOM 96 CD ARG A 9 -15.374 10.936 -7.115 1.00 0.00 C ATOM 97 NE ARG A 9 -14.238 11.154 -8.006 1.00 0.00 N ATOM 98 CZ ARG A 9 -13.681 10.195 -8.737 1.00 0.00 C ATOM 99 NH1 ARG A 9 -14.155 8.958 -8.683 1.00 0.00 N ATOM 100 NH2 ARG A 9 -12.650 10.472 -9.524 1.00 0.00 N ATOM 0 H ARG A 9 -15.848 10.680 -2.332 1.00 0.00 H new ATOM 0 HA ARG A 9 -16.813 8.836 -3.224 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -16.716 8.901 -5.692 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -16.905 10.502 -5.004 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -14.364 10.763 -5.228 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -14.381 9.284 -6.169 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -16.159 10.405 -7.653 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -15.788 11.898 -6.814 1.00 0.00 H new ATOM 0 HE ARG A 9 -13.850 12.095 -8.071 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -14.948 8.742 -8.080 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -13.726 8.223 -9.245 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -12.283 11.423 -9.569 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -12.224 9.734 -10.085 1.00 0.00 H new ATOM 114 N GLU A 10 -14.424 7.441 -2.742 1.00 0.00 N ATOM 115 CA GLU A 10 -13.567 6.261 -2.735 1.00 0.00 C ATOM 116 C GLU A 10 -13.993 5.285 -1.643 1.00 0.00 C ATOM 117 O GLU A 10 -14.407 5.694 -0.558 1.00 0.00 O ATOM 118 CB GLU A 10 -12.106 6.667 -2.530 1.00 0.00 C ATOM 119 CG GLU A 10 -11.111 5.642 -3.050 1.00 0.00 C ATOM 120 CD GLU A 10 -10.950 5.698 -4.556 1.00 0.00 C ATOM 121 OE1 GLU A 10 -11.733 5.030 -5.263 1.00 0.00 O ATOM 122 OE2 GLU A 10 -10.039 6.410 -5.029 1.00 0.00 O ATOM 0 H GLU A 10 -14.523 7.896 -1.835 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.667 5.765 -3.700 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.929 7.619 -3.030 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.928 6.827 -1.467 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.143 5.809 -2.578 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.439 4.644 -2.760 1.00 0.00 H new ATOM 129 N ARG A 11 -13.890 3.993 -1.938 1.00 0.00 N ATOM 130 CA ARG A 11 -14.266 2.959 -0.982 1.00 0.00 C ATOM 131 C ARG A 11 -13.214 2.823 0.114 1.00 0.00 C ATOM 132 O ARG A 11 -12.025 3.045 -0.119 1.00 0.00 O ATOM 133 CB ARG A 11 -14.451 1.618 -1.696 1.00 0.00 C ATOM 134 CG ARG A 11 -15.103 0.552 -0.831 1.00 0.00 C ATOM 135 CD ARG A 11 -16.615 0.709 -0.800 1.00 0.00 C ATOM 136 NE ARG A 11 -17.221 -0.043 0.296 1.00 0.00 N ATOM 137 CZ ARG A 11 -18.424 0.222 0.793 1.00 0.00 C ATOM 138 NH1 ARG A 11 -19.146 1.215 0.294 1.00 0.00 N ATOM 139 NH2 ARG A 11 -18.907 -0.508 1.790 1.00 0.00 N ATOM 0 H ARG A 11 -13.549 3.638 -2.831 1.00 0.00 H new ATOM 0 HA ARG A 11 -15.210 3.251 -0.521 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -15.058 1.772 -2.588 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -13.479 1.257 -2.031 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -14.846 -0.436 -1.214 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -14.709 0.613 0.183 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -16.868 1.764 -0.699 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -17.034 0.370 -1.747 1.00 0.00 H new ATOM 0 HE ARG A 11 -16.691 -0.814 0.702 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -18.778 1.778 -0.473 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -20.070 1.417 0.677 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -18.354 -1.274 2.176 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -19.831 -0.304 2.171 1.00 0.00 H new ATOM 153 N THR A 12 -13.659 2.457 1.312 1.00 0.00 N ATOM 154 CA THR A 12 -12.757 2.293 2.445 1.00 0.00 C ATOM 155 C THR A 12 -12.312 0.842 2.589 1.00 0.00 C ATOM 156 O THR A 12 -12.150 0.337 3.700 1.00 0.00 O ATOM 157 CB THR A 12 -13.419 2.747 3.760 1.00 0.00 C ATOM 158 OG1 THR A 12 -13.971 4.058 3.603 1.00 0.00 O ATOM 159 CG2 THR A 12 -12.412 2.749 4.900 1.00 0.00 C ATOM 0 H THR A 12 -14.639 2.268 1.523 1.00 0.00 H new ATOM 0 HA THR A 12 -11.887 2.919 2.249 1.00 0.00 H new ATOM 0 HB THR A 12 -14.216 2.044 4.001 1.00 0.00 H new ATOM 0 HG1 THR A 12 -14.391 4.339 4.443 1.00 0.00 H new ATOM 0 HG21 THR A 12 -12.902 3.073 5.818 1.00 0.00 H new ATOM 0 HG22 THR A 12 -12.015 1.743 5.036 1.00 0.00 H new ATOM 0 HG23 THR A 12 -11.596 3.432 4.664 1.00 0.00 H new ATOM 167 N THR A 13 -12.116 0.173 1.456 1.00 0.00 N ATOM 168 CA THR A 13 -11.690 -1.221 1.456 1.00 0.00 C ATOM 169 C THR A 13 -10.752 -1.509 2.622 1.00 0.00 C ATOM 170 O THR A 13 -10.881 -2.531 3.298 1.00 0.00 O ATOM 171 CB THR A 13 -10.982 -1.591 0.139 1.00 0.00 C ATOM 172 OG1 THR A 13 -11.843 -1.320 -0.973 1.00 0.00 O ATOM 173 CG2 THR A 13 -10.585 -3.060 0.132 1.00 0.00 C ATOM 0 H THR A 13 -12.246 0.574 0.527 1.00 0.00 H new ATOM 0 HA THR A 13 -12.590 -1.827 1.559 1.00 0.00 H new ATOM 0 HB THR A 13 -10.079 -0.986 0.055 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.385 -1.556 -1.807 1.00 0.00 H new ATOM 0 HG21 THR A 13 -10.087 -3.298 -0.808 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.907 -3.258 0.962 1.00 0.00 H new ATOM 0 HG23 THR A 13 -11.477 -3.678 0.237 1.00 0.00 H new ATOM 181 N PHE A 14 -9.808 -0.604 2.854 1.00 0.00 N ATOM 182 CA PHE A 14 -8.847 -0.762 3.940 1.00 0.00 C ATOM 183 C PHE A 14 -9.449 -0.313 5.268 1.00 0.00 C ATOM 184 O PHE A 14 -9.583 0.882 5.531 1.00 0.00 O ATOM 185 CB PHE A 14 -7.577 0.039 3.646 1.00 0.00 C ATOM 186 CG PHE A 14 -6.732 -0.555 2.556 1.00 0.00 C ATOM 187 CD1 PHE A 14 -6.019 -1.723 2.773 1.00 0.00 C ATOM 188 CD2 PHE A 14 -6.649 0.055 1.314 1.00 0.00 C ATOM 189 CE1 PHE A 14 -5.241 -2.273 1.772 1.00 0.00 C ATOM 190 CE2 PHE A 14 -5.873 -0.491 0.309 1.00 0.00 C ATOM 191 CZ PHE A 14 -5.167 -1.656 0.539 1.00 0.00 C ATOM 0 H PHE A 14 -9.687 0.247 2.305 1.00 0.00 H new ATOM 0 HA PHE A 14 -8.592 -1.819 4.016 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -7.855 1.055 3.366 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -6.983 0.110 4.557 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -6.072 -2.209 3.736 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.197 0.967 1.130 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -4.691 -3.185 1.954 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -5.819 -0.007 -0.655 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.558 -2.083 -0.244 1.00 0.00 H new ATOM 201 N THR A 15 -9.811 -1.282 6.104 1.00 0.00 N ATOM 202 CA THR A 15 -10.400 -0.988 7.404 1.00 0.00 C ATOM 203 C THR A 15 -9.324 -0.661 8.434 1.00 0.00 C ATOM 204 O THR A 15 -8.140 -0.913 8.211 1.00 0.00 O ATOM 205 CB THR A 15 -11.243 -2.170 7.918 1.00 0.00 C ATOM 206 OG1 THR A 15 -10.438 -3.352 7.992 1.00 0.00 O ATOM 207 CG2 THR A 15 -12.436 -2.420 7.008 1.00 0.00 C ATOM 0 H THR A 15 -9.706 -2.277 5.903 1.00 0.00 H new ATOM 0 HA THR A 15 -11.046 -0.121 7.270 1.00 0.00 H new ATOM 0 HB THR A 15 -11.611 -1.919 8.913 1.00 0.00 H new ATOM 0 HG1 THR A 15 -10.982 -4.098 8.321 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.016 -3.259 7.391 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.063 -1.529 6.977 1.00 0.00 H new ATOM 0 HG23 THR A 15 -12.084 -2.651 6.002 1.00 0.00 H new ATOM 215 N ARG A 16 -9.744 -0.097 9.562 1.00 0.00 N ATOM 216 CA ARG A 16 -8.816 0.266 10.626 1.00 0.00 C ATOM 217 C ARG A 16 -7.964 -0.932 11.037 1.00 0.00 C ATOM 218 O ARG A 16 -6.756 -0.809 11.234 1.00 0.00 O ATOM 219 CB ARG A 16 -9.580 0.801 11.838 1.00 0.00 C ATOM 220 CG ARG A 16 -10.221 2.159 11.603 1.00 0.00 C ATOM 221 CD ARG A 16 -9.203 3.283 11.715 1.00 0.00 C ATOM 222 NE ARG A 16 -9.078 3.774 13.084 1.00 0.00 N ATOM 223 CZ ARG A 16 -10.008 4.501 13.692 1.00 0.00 C ATOM 224 NH1 ARG A 16 -11.126 4.820 13.055 1.00 0.00 N ATOM 225 NH2 ARG A 16 -9.821 4.910 14.941 1.00 0.00 N ATOM 0 H ARG A 16 -10.721 0.118 9.762 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.156 1.047 10.247 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.355 0.086 12.113 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -8.897 0.873 12.685 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.680 2.180 10.615 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -11.019 2.316 12.328 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.233 2.929 11.367 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.496 4.104 11.061 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.229 3.546 13.602 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -11.273 4.507 12.096 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -11.839 5.379 13.524 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -8.962 4.666 15.434 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -10.536 5.468 15.407 1.00 0.00 H new ATOM 239 N ALA A 17 -8.604 -2.090 11.164 1.00 0.00 N ATOM 240 CA ALA A 17 -7.906 -3.310 11.549 1.00 0.00 C ATOM 241 C ALA A 17 -6.864 -3.700 10.505 1.00 0.00 C ATOM 242 O ALA A 17 -5.731 -4.040 10.844 1.00 0.00 O ATOM 243 CB ALA A 17 -8.899 -4.444 11.755 1.00 0.00 C ATOM 0 H ALA A 17 -9.605 -2.208 11.006 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.387 -3.121 12.489 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.363 -5.349 12.042 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -9.602 -4.173 12.542 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -9.444 -4.624 10.828 1.00 0.00 H new ATOM 249 N GLN A 18 -7.257 -3.649 9.237 1.00 0.00 N ATOM 250 CA GLN A 18 -6.357 -3.998 8.144 1.00 0.00 C ATOM 251 C GLN A 18 -5.204 -3.004 8.049 1.00 0.00 C ATOM 252 O GLN A 18 -4.093 -3.361 7.657 1.00 0.00 O ATOM 253 CB GLN A 18 -7.120 -4.040 6.820 1.00 0.00 C ATOM 254 CG GLN A 18 -8.185 -5.124 6.765 1.00 0.00 C ATOM 255 CD GLN A 18 -9.125 -4.960 5.587 1.00 0.00 C ATOM 256 OE1 GLN A 18 -9.183 -3.897 4.968 1.00 0.00 O ATOM 257 NE2 GLN A 18 -9.868 -6.015 5.271 1.00 0.00 N ATOM 0 H GLN A 18 -8.192 -3.370 8.941 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.945 -4.986 8.349 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -7.590 -3.071 6.650 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.411 -4.197 6.007 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -7.702 -6.100 6.707 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.762 -5.109 7.690 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.787 -6.876 5.812 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.519 -5.964 4.488 1.00 0.00 H new ATOM 266 N LEU A 19 -5.477 -1.754 8.410 1.00 0.00 N ATOM 267 CA LEU A 19 -4.462 -0.707 8.365 1.00 0.00 C ATOM 268 C LEU A 19 -3.455 -0.875 9.499 1.00 0.00 C ATOM 269 O LEU A 19 -2.252 -0.985 9.262 1.00 0.00 O ATOM 270 CB LEU A 19 -5.120 0.671 8.453 1.00 0.00 C ATOM 271 CG LEU A 19 -5.749 1.198 7.163 1.00 0.00 C ATOM 272 CD1 LEU A 19 -6.582 2.440 7.443 1.00 0.00 C ATOM 273 CD2 LEU A 19 -4.674 1.496 6.128 1.00 0.00 C ATOM 0 H LEU A 19 -6.391 -1.442 8.737 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.931 -0.790 7.417 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.892 0.634 9.221 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.371 1.388 8.788 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.407 0.428 6.762 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.022 2.801 6.513 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.376 2.194 8.148 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.946 3.216 7.869 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.140 1.870 5.217 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.990 2.248 6.520 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.121 0.584 5.905 1.00 0.00 H new ATOM 285 N ASP A 20 -3.955 -0.896 10.729 1.00 0.00 N ATOM 286 CA ASP A 20 -3.100 -1.054 11.900 1.00 0.00 C ATOM 287 C ASP A 20 -1.964 -2.032 11.614 1.00 0.00 C ATOM 288 O ASP A 20 -0.802 -1.751 11.906 1.00 0.00 O ATOM 289 CB ASP A 20 -3.920 -1.541 13.095 1.00 0.00 C ATOM 290 CG ASP A 20 -3.174 -1.395 14.407 1.00 0.00 C ATOM 291 OD1 ASP A 20 -2.266 -2.212 14.667 1.00 0.00 O ATOM 292 OD2 ASP A 20 -3.498 -0.464 15.173 1.00 0.00 O ATOM 0 H ASP A 20 -4.948 -0.806 10.942 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.668 -0.082 12.138 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.852 -0.978 13.146 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.187 -2.587 12.947 1.00 0.00 H new ATOM 297 N VAL A 21 -2.309 -3.181 11.043 1.00 0.00 N ATOM 298 CA VAL A 21 -1.319 -4.201 10.719 1.00 0.00 C ATOM 299 C VAL A 21 -0.403 -3.738 9.591 1.00 0.00 C ATOM 300 O VAL A 21 0.817 -3.682 9.751 1.00 0.00 O ATOM 301 CB VAL A 21 -1.990 -5.525 10.308 1.00 0.00 C ATOM 302 CG1 VAL A 21 -0.941 -6.579 9.986 1.00 0.00 C ATOM 303 CG2 VAL A 21 -2.926 -6.010 11.406 1.00 0.00 C ATOM 0 H VAL A 21 -3.267 -3.429 10.795 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.728 -4.366 11.620 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.581 -5.349 9.409 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.434 -7.507 9.698 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.315 -6.230 9.164 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.321 -6.755 10.865 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.392 -6.947 11.100 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.359 -6.170 12.323 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.698 -5.261 11.583 1.00 0.00 H new ATOM 313 N LEU A 22 -0.998 -3.406 8.451 1.00 0.00 N ATOM 314 CA LEU A 22 -0.236 -2.946 7.296 1.00 0.00 C ATOM 315 C LEU A 22 0.826 -1.934 7.712 1.00 0.00 C ATOM 316 O LEU A 22 1.994 -2.059 7.345 1.00 0.00 O ATOM 317 CB LEU A 22 -1.171 -2.324 6.258 1.00 0.00 C ATOM 318 CG LEU A 22 -1.897 -3.304 5.335 1.00 0.00 C ATOM 319 CD1 LEU A 22 -3.032 -2.606 4.602 1.00 0.00 C ATOM 320 CD2 LEU A 22 -0.922 -3.925 4.345 1.00 0.00 C ATOM 0 H LEU A 22 -2.006 -3.447 8.302 1.00 0.00 H new ATOM 0 HA LEU A 22 0.264 -3.808 6.855 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.918 -1.728 6.782 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.591 -1.637 5.642 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.322 -4.101 5.945 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.537 -3.319 3.950 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.744 -2.210 5.326 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.630 -1.788 4.003 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.455 -4.620 3.696 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.468 -3.140 3.741 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.144 -4.461 4.888 1.00 0.00 H new ATOM 332 N GLU A 23 0.413 -0.932 8.482 1.00 0.00 N ATOM 333 CA GLU A 23 1.330 0.101 8.949 1.00 0.00 C ATOM 334 C GLU A 23 2.412 -0.496 9.844 1.00 0.00 C ATOM 335 O GLU A 23 3.596 -0.202 9.684 1.00 0.00 O ATOM 336 CB GLU A 23 0.565 1.187 9.709 1.00 0.00 C ATOM 337 CG GLU A 23 -0.427 1.949 8.847 1.00 0.00 C ATOM 338 CD GLU A 23 -1.450 2.710 9.669 1.00 0.00 C ATOM 339 OE1 GLU A 23 -1.670 2.334 10.839 1.00 0.00 O ATOM 340 OE2 GLU A 23 -2.030 3.682 9.141 1.00 0.00 O ATOM 0 H GLU A 23 -0.550 -0.814 8.795 1.00 0.00 H new ATOM 0 HA GLU A 23 1.809 0.547 8.077 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.032 0.729 10.542 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.279 1.892 10.136 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.114 2.648 8.209 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.943 1.250 8.189 1.00 0.00 H new ATOM 347 N ALA A 24 1.995 -1.335 10.786 1.00 0.00 N ATOM 348 CA ALA A 24 2.927 -1.975 11.706 1.00 0.00 C ATOM 349 C ALA A 24 4.124 -2.554 10.960 1.00 0.00 C ATOM 350 O ALA A 24 5.263 -2.454 11.420 1.00 0.00 O ATOM 351 CB ALA A 24 2.221 -3.064 12.501 1.00 0.00 C ATOM 0 H ALA A 24 1.018 -1.587 10.932 1.00 0.00 H new ATOM 0 HA ALA A 24 3.295 -1.217 12.397 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.929 -3.533 13.184 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.403 -2.625 13.072 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.825 -3.815 11.817 1.00 0.00 H new ATOM 357 N LEU A 25 3.861 -3.159 9.807 1.00 0.00 N ATOM 358 CA LEU A 25 4.917 -3.755 8.997 1.00 0.00 C ATOM 359 C LEU A 25 5.691 -2.683 8.236 1.00 0.00 C ATOM 360 O LEU A 25 6.859 -2.869 7.897 1.00 0.00 O ATOM 361 CB LEU A 25 4.324 -4.767 8.015 1.00 0.00 C ATOM 362 CG LEU A 25 5.331 -5.586 7.206 1.00 0.00 C ATOM 363 CD1 LEU A 25 6.302 -6.302 8.131 1.00 0.00 C ATOM 364 CD2 LEU A 25 4.610 -6.584 6.311 1.00 0.00 C ATOM 0 H LEU A 25 2.925 -3.250 9.412 1.00 0.00 H new ATOM 0 HA LEU A 25 5.608 -4.269 9.666 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.690 -5.456 8.573 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.678 -4.232 7.319 1.00 0.00 H new ATOM 0 HG LEU A 25 5.900 -4.905 6.573 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.011 -6.880 7.538 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.842 -5.569 8.729 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.750 -6.972 8.790 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.342 -7.158 5.743 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.016 -7.261 6.925 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.955 -6.049 5.623 1.00 0.00 H new ATOM 376 N PHE A 26 5.031 -1.560 7.973 1.00 0.00 N ATOM 377 CA PHE A 26 5.657 -0.457 7.254 1.00 0.00 C ATOM 378 C PHE A 26 6.537 0.371 8.185 1.00 0.00 C ATOM 379 O PHE A 26 7.410 1.112 7.736 1.00 0.00 O ATOM 380 CB PHE A 26 4.589 0.436 6.617 1.00 0.00 C ATOM 381 CG PHE A 26 5.155 1.511 5.734 1.00 0.00 C ATOM 382 CD1 PHE A 26 5.793 2.612 6.283 1.00 0.00 C ATOM 383 CD2 PHE A 26 5.048 1.421 4.356 1.00 0.00 C ATOM 384 CE1 PHE A 26 6.315 3.603 5.473 1.00 0.00 C ATOM 385 CE2 PHE A 26 5.569 2.409 3.541 1.00 0.00 C ATOM 386 CZ PHE A 26 6.202 3.502 4.101 1.00 0.00 C ATOM 0 H PHE A 26 4.063 -1.390 8.247 1.00 0.00 H new ATOM 0 HA PHE A 26 6.285 -0.879 6.469 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.910 -0.184 6.031 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.997 0.899 7.406 1.00 0.00 H new ATOM 0 HD1 PHE A 26 5.883 2.697 7.356 1.00 0.00 H new ATOM 0 HD2 PHE A 26 4.552 0.570 3.913 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.811 4.456 5.913 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.481 2.326 2.468 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.608 4.276 3.466 1.00 0.00 H new ATOM 396 N ALA A 27 6.301 0.237 9.486 1.00 0.00 N ATOM 397 CA ALA A 27 7.072 0.971 10.482 1.00 0.00 C ATOM 398 C ALA A 27 8.351 0.223 10.845 1.00 0.00 C ATOM 399 O ALA A 27 9.343 0.830 11.251 1.00 0.00 O ATOM 400 CB ALA A 27 6.231 1.216 11.726 1.00 0.00 C ATOM 0 H ALA A 27 5.582 -0.373 9.875 1.00 0.00 H new ATOM 0 HA ALA A 27 7.353 1.932 10.052 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.820 1.765 12.461 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.349 1.798 11.460 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.921 0.261 12.150 1.00 0.00 H new ATOM 406 N LYS A 28 8.322 -1.097 10.696 1.00 0.00 N ATOM 407 CA LYS A 28 9.479 -1.928 11.007 1.00 0.00 C ATOM 408 C LYS A 28 10.346 -2.139 9.770 1.00 0.00 C ATOM 409 O LYS A 28 11.574 -2.068 9.839 1.00 0.00 O ATOM 410 CB LYS A 28 9.027 -3.280 11.562 1.00 0.00 C ATOM 411 CG LYS A 28 8.024 -3.997 10.675 1.00 0.00 C ATOM 412 CD LYS A 28 7.613 -5.335 11.267 1.00 0.00 C ATOM 413 CE LYS A 28 8.656 -6.409 10.995 1.00 0.00 C ATOM 414 NZ LYS A 28 8.649 -7.467 12.043 1.00 0.00 N ATOM 0 H LYS A 28 7.509 -1.615 10.362 1.00 0.00 H new ATOM 0 HA LYS A 28 10.073 -1.412 11.762 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.900 -3.918 11.698 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.586 -3.130 12.547 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.142 -3.371 10.542 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.457 -4.153 9.687 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.470 -5.230 12.342 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.655 -5.641 10.846 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.466 -6.861 10.021 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.644 -5.952 10.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.477 -8.084 11.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.685 -7.024 12.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.780 -8.032 11.960 1.00 0.00 H new ATOM 428 N THR A 29 9.700 -2.396 8.637 1.00 0.00 N ATOM 429 CA THR A 29 10.412 -2.617 7.384 1.00 0.00 C ATOM 430 C THR A 29 9.675 -1.977 6.213 1.00 0.00 C ATOM 431 O THR A 29 8.538 -2.337 5.911 1.00 0.00 O ATOM 432 CB THR A 29 10.596 -4.120 7.100 1.00 0.00 C ATOM 433 OG1 THR A 29 11.351 -4.302 5.897 1.00 0.00 O ATOM 434 CG2 THR A 29 9.250 -4.815 6.970 1.00 0.00 C ATOM 0 H THR A 29 8.685 -2.456 8.561 1.00 0.00 H new ATOM 0 HA THR A 29 11.392 -2.152 7.491 1.00 0.00 H new ATOM 0 HB THR A 29 11.135 -4.562 7.938 1.00 0.00 H new ATOM 0 HG1 THR A 29 11.465 -5.260 5.724 1.00 0.00 H new ATOM 0 HG21 THR A 29 9.406 -5.875 6.770 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.690 -4.700 7.898 1.00 0.00 H new ATOM 0 HG23 THR A 29 8.688 -4.369 6.149 1.00 0.00 H new ATOM 442 N ARG A 30 10.331 -1.025 5.557 1.00 0.00 N ATOM 443 CA ARG A 30 9.738 -0.334 4.419 1.00 0.00 C ATOM 444 C ARG A 30 9.631 -1.264 3.214 1.00 0.00 C ATOM 445 O ARG A 30 8.748 -1.105 2.370 1.00 0.00 O ATOM 446 CB ARG A 30 10.567 0.898 4.053 1.00 0.00 C ATOM 447 CG ARG A 30 10.439 2.037 5.052 1.00 0.00 C ATOM 448 CD ARG A 30 10.819 3.370 4.428 1.00 0.00 C ATOM 449 NE ARG A 30 12.257 3.473 4.191 1.00 0.00 N ATOM 450 CZ ARG A 30 12.817 4.447 3.482 1.00 0.00 C ATOM 451 NH1 ARG A 30 12.064 5.397 2.944 1.00 0.00 N ATOM 452 NH2 ARG A 30 14.132 4.472 3.310 1.00 0.00 N ATOM 0 H ARG A 30 11.273 -0.715 5.794 1.00 0.00 H new ATOM 0 HA ARG A 30 8.735 -0.017 4.702 1.00 0.00 H new ATOM 0 HB2 ARG A 30 11.615 0.610 3.975 1.00 0.00 H new ATOM 0 HB3 ARG A 30 10.260 1.253 3.069 1.00 0.00 H new ATOM 0 HG2 ARG A 30 9.414 2.086 5.421 1.00 0.00 H new ATOM 0 HG3 ARG A 30 11.079 1.841 5.913 1.00 0.00 H new ATOM 0 HD2 ARG A 30 10.286 3.494 3.485 1.00 0.00 H new ATOM 0 HD3 ARG A 30 10.500 4.181 5.083 1.00 0.00 H new ATOM 0 HE ARG A 30 12.864 2.758 4.592 1.00 0.00 H new ATOM 0 HH11 ARG A 30 11.052 5.381 3.074 1.00 0.00 H new ATOM 0 HH12 ARG A 30 12.496 6.144 2.400 1.00 0.00 H new ATOM 0 HH21 ARG A 30 14.714 3.743 3.722 1.00 0.00 H new ATOM 0 HH22 ARG A 30 14.561 5.220 2.765 1.00 0.00 H new ATOM 466 N TYR A 31 10.536 -2.233 3.139 1.00 0.00 N ATOM 467 CA TYR A 31 10.545 -3.187 2.036 1.00 0.00 C ATOM 468 C TYR A 31 10.461 -4.620 2.554 1.00 0.00 C ATOM 469 O TYR A 31 11.461 -5.329 2.659 1.00 0.00 O ATOM 470 CB TYR A 31 11.809 -3.011 1.193 1.00 0.00 C ATOM 471 CG TYR A 31 12.111 -1.570 0.847 1.00 0.00 C ATOM 472 CD1 TYR A 31 11.388 -0.906 -0.136 1.00 0.00 C ATOM 473 CD2 TYR A 31 13.119 -0.874 1.502 1.00 0.00 C ATOM 474 CE1 TYR A 31 11.660 0.410 -0.456 1.00 0.00 C ATOM 475 CE2 TYR A 31 13.397 0.442 1.190 1.00 0.00 C ATOM 476 CZ TYR A 31 12.665 1.080 0.210 1.00 0.00 C ATOM 477 OH TYR A 31 12.940 2.391 -0.105 1.00 0.00 O ATOM 0 H TYR A 31 11.273 -2.379 3.829 1.00 0.00 H new ATOM 0 HA TYR A 31 9.671 -2.993 1.414 1.00 0.00 H new ATOM 0 HB2 TYR A 31 12.657 -3.432 1.733 1.00 0.00 H new ATOM 0 HB3 TYR A 31 11.703 -3.583 0.271 1.00 0.00 H new ATOM 0 HD1 TYR A 31 10.600 -1.427 -0.659 1.00 0.00 H new ATOM 0 HD2 TYR A 31 13.695 -1.371 2.269 1.00 0.00 H new ATOM 0 HE1 TYR A 31 11.089 0.911 -1.223 1.00 0.00 H new ATOM 0 HE2 TYR A 31 14.183 0.969 1.710 1.00 0.00 H new ATOM 0 HH TYR A 31 13.675 2.715 0.457 1.00 0.00 H new ATOM 487 N PRO A 32 9.237 -5.057 2.885 1.00 0.00 N ATOM 488 CA PRO A 32 8.990 -6.408 3.396 1.00 0.00 C ATOM 489 C PRO A 32 9.190 -7.478 2.327 1.00 0.00 C ATOM 490 O PRO A 32 9.185 -7.182 1.132 1.00 0.00 O ATOM 491 CB PRO A 32 7.525 -6.359 3.836 1.00 0.00 C ATOM 492 CG PRO A 32 6.915 -5.284 3.005 1.00 0.00 C ATOM 493 CD PRO A 32 7.999 -4.265 2.785 1.00 0.00 C ATOM 0 HA PRO A 32 9.681 -6.673 4.196 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.030 -7.316 3.671 1.00 0.00 H new ATOM 0 HB3 PRO A 32 7.438 -6.135 4.899 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.555 -5.681 2.056 1.00 0.00 H new ATOM 0 HG3 PRO A 32 6.058 -4.839 3.510 1.00 0.00 H new ATOM 0 HD2 PRO A 32 7.907 -3.784 1.811 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.966 -3.475 3.535 1.00 0.00 H new ATOM 501 N ASP A 33 9.364 -8.720 2.765 1.00 0.00 N ATOM 502 CA ASP A 33 9.564 -9.834 1.845 1.00 0.00 C ATOM 503 C ASP A 33 8.272 -10.624 1.661 1.00 0.00 C ATOM 504 O ASP A 33 7.262 -10.340 2.306 1.00 0.00 O ATOM 505 CB ASP A 33 10.671 -10.755 2.359 1.00 0.00 C ATOM 506 CG ASP A 33 12.050 -10.143 2.207 1.00 0.00 C ATOM 507 OD1 ASP A 33 12.339 -9.150 2.907 1.00 0.00 O ATOM 508 OD2 ASP A 33 12.840 -10.659 1.390 1.00 0.00 O ATOM 0 H ASP A 33 9.371 -8.981 3.751 1.00 0.00 H new ATOM 0 HA ASP A 33 9.861 -9.427 0.878 1.00 0.00 H new ATOM 0 HB2 ASP A 33 10.492 -10.983 3.410 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.634 -11.700 1.817 1.00 0.00 H new ATOM 513 N ILE A 34 8.312 -11.615 0.776 1.00 0.00 N ATOM 514 CA ILE A 34 7.145 -12.446 0.507 1.00 0.00 C ATOM 515 C ILE A 34 6.573 -13.024 1.797 1.00 0.00 C ATOM 516 O ILE A 34 5.360 -13.179 1.936 1.00 0.00 O ATOM 517 CB ILE A 34 7.485 -13.600 -0.453 1.00 0.00 C ATOM 518 CG1 ILE A 34 6.242 -14.449 -0.726 1.00 0.00 C ATOM 519 CG2 ILE A 34 8.603 -14.457 0.123 1.00 0.00 C ATOM 520 CD1 ILE A 34 5.373 -13.909 -1.839 1.00 0.00 C ATOM 0 H ILE A 34 9.140 -11.862 0.233 1.00 0.00 H new ATOM 0 HA ILE A 34 6.400 -11.802 0.038 1.00 0.00 H new ATOM 0 HB ILE A 34 7.828 -13.178 -1.398 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.553 -15.463 -0.978 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.650 -14.515 0.187 1.00 0.00 H new ATOM 0 HG21 ILE A 34 8.832 -15.269 -0.568 1.00 0.00 H new ATOM 0 HG22 ILE A 34 9.492 -13.844 0.270 1.00 0.00 H new ATOM 0 HG23 ILE A 34 8.287 -14.873 1.080 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.511 -14.562 -1.977 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.032 -12.907 -1.580 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.949 -13.869 -2.764 1.00 0.00 H new ATOM 532 N PHE A 35 7.455 -13.341 2.739 1.00 0.00 N ATOM 533 CA PHE A 35 7.038 -13.901 4.019 1.00 0.00 C ATOM 534 C PHE A 35 6.207 -12.895 4.810 1.00 0.00 C ATOM 535 O PHE A 35 5.130 -13.219 5.307 1.00 0.00 O ATOM 536 CB PHE A 35 8.261 -14.324 4.837 1.00 0.00 C ATOM 537 CG PHE A 35 8.916 -15.578 4.331 1.00 0.00 C ATOM 538 CD1 PHE A 35 8.210 -16.769 4.272 1.00 0.00 C ATOM 539 CD2 PHE A 35 10.238 -15.565 3.916 1.00 0.00 C ATOM 540 CE1 PHE A 35 8.810 -17.924 3.807 1.00 0.00 C ATOM 541 CE2 PHE A 35 10.842 -16.717 3.449 1.00 0.00 C ATOM 542 CZ PHE A 35 10.128 -17.898 3.396 1.00 0.00 C ATOM 0 H PHE A 35 8.463 -13.220 2.640 1.00 0.00 H new ATOM 0 HA PHE A 35 6.421 -14.777 3.819 1.00 0.00 H new ATOM 0 HB2 PHE A 35 8.991 -13.514 4.830 1.00 0.00 H new ATOM 0 HB3 PHE A 35 7.961 -14.473 5.874 1.00 0.00 H new ATOM 0 HD1 PHE A 35 7.179 -16.795 4.593 1.00 0.00 H new ATOM 0 HD2 PHE A 35 10.802 -14.645 3.958 1.00 0.00 H new ATOM 0 HE1 PHE A 35 8.249 -18.846 3.765 1.00 0.00 H new ATOM 0 HE2 PHE A 35 11.872 -16.694 3.126 1.00 0.00 H new ATOM 0 HZ PHE A 35 10.600 -18.800 3.034 1.00 0.00 H new ATOM 552 N MET A 36 6.717 -11.673 4.920 1.00 0.00 N ATOM 553 CA MET A 36 6.022 -10.618 5.649 1.00 0.00 C ATOM 554 C MET A 36 4.682 -10.298 4.995 1.00 0.00 C ATOM 555 O MET A 36 3.637 -10.342 5.645 1.00 0.00 O ATOM 556 CB MET A 36 6.887 -9.357 5.712 1.00 0.00 C ATOM 557 CG MET A 36 8.212 -9.564 6.427 1.00 0.00 C ATOM 558 SD MET A 36 8.002 -10.105 8.135 1.00 0.00 S ATOM 559 CE MET A 36 9.264 -9.134 8.955 1.00 0.00 C ATOM 0 H MET A 36 7.608 -11.389 4.514 1.00 0.00 H new ATOM 0 HA MET A 36 5.836 -10.973 6.663 1.00 0.00 H new ATOM 0 HB2 MET A 36 7.081 -9.009 4.698 1.00 0.00 H new ATOM 0 HB3 MET A 36 6.330 -8.569 6.218 1.00 0.00 H new ATOM 0 HG2 MET A 36 8.801 -10.304 5.885 1.00 0.00 H new ATOM 0 HG3 MET A 36 8.778 -8.633 6.412 1.00 0.00 H new ATOM 0 HE1 MET A 36 9.052 -9.089 10.023 1.00 0.00 H new ATOM 0 HE2 MET A 36 10.238 -9.596 8.798 1.00 0.00 H new ATOM 0 HE3 MET A 36 9.271 -8.125 8.544 1.00 0.00 H new ATOM 569 N ARG A 37 4.719 -9.975 3.707 1.00 0.00 N ATOM 570 CA ARG A 37 3.508 -9.646 2.966 1.00 0.00 C ATOM 571 C ARG A 37 2.496 -10.785 3.045 1.00 0.00 C ATOM 572 O ARG A 37 1.295 -10.553 3.183 1.00 0.00 O ATOM 573 CB ARG A 37 3.843 -9.347 1.504 1.00 0.00 C ATOM 574 CG ARG A 37 4.812 -8.190 1.325 1.00 0.00 C ATOM 575 CD ARG A 37 5.131 -7.952 -0.143 1.00 0.00 C ATOM 576 NE ARG A 37 5.957 -9.018 -0.704 1.00 0.00 N ATOM 577 CZ ARG A 37 6.458 -8.989 -1.934 1.00 0.00 C ATOM 578 NH1 ARG A 37 6.218 -7.954 -2.727 1.00 0.00 N ATOM 579 NH2 ARG A 37 7.200 -9.998 -2.373 1.00 0.00 N ATOM 0 H ARG A 37 5.575 -9.934 3.154 1.00 0.00 H new ATOM 0 HA ARG A 37 3.066 -8.758 3.418 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.269 -10.241 1.048 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.921 -9.124 0.967 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.384 -7.285 1.757 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.733 -8.398 1.870 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.202 -7.878 -0.708 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.647 -6.998 -0.252 1.00 0.00 H new ATOM 0 HE ARG A 37 6.160 -9.829 -0.120 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.647 -7.177 -2.393 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.604 -7.934 -3.671 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.386 -10.796 -1.766 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.584 -9.975 -3.318 1.00 0.00 H new ATOM 593 N GLU A 38 2.990 -12.016 2.954 1.00 0.00 N ATOM 594 CA GLU A 38 2.129 -13.191 3.014 1.00 0.00 C ATOM 595 C GLU A 38 1.396 -13.261 4.351 1.00 0.00 C ATOM 596 O GLU A 38 0.180 -13.444 4.394 1.00 0.00 O ATOM 597 CB GLU A 38 2.950 -14.464 2.803 1.00 0.00 C ATOM 598 CG GLU A 38 3.067 -14.878 1.345 1.00 0.00 C ATOM 599 CD GLU A 38 1.926 -15.772 0.899 1.00 0.00 C ATOM 600 OE1 GLU A 38 1.779 -16.874 1.466 1.00 0.00 O ATOM 601 OE2 GLU A 38 1.181 -15.368 -0.018 1.00 0.00 O ATOM 0 H GLU A 38 3.982 -12.225 2.839 1.00 0.00 H new ATOM 0 HA GLU A 38 1.389 -13.108 2.218 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.950 -14.313 3.211 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.495 -15.278 3.368 1.00 0.00 H new ATOM 0 HG2 GLU A 38 3.091 -13.986 0.719 1.00 0.00 H new ATOM 0 HG3 GLU A 38 4.012 -15.399 1.194 1.00 0.00 H new ATOM 608 N GLU A 39 2.146 -13.114 5.438 1.00 0.00 N ATOM 609 CA GLU A 39 1.568 -13.162 6.776 1.00 0.00 C ATOM 610 C GLU A 39 0.419 -12.167 6.909 1.00 0.00 C ATOM 611 O GLU A 39 -0.727 -12.552 7.143 1.00 0.00 O ATOM 612 CB GLU A 39 2.638 -12.866 7.829 1.00 0.00 C ATOM 613 CG GLU A 39 2.089 -12.765 9.243 1.00 0.00 C ATOM 614 CD GLU A 39 3.169 -12.901 10.299 1.00 0.00 C ATOM 615 OE1 GLU A 39 3.836 -13.956 10.333 1.00 0.00 O ATOM 616 OE2 GLU A 39 3.346 -11.952 11.091 1.00 0.00 O ATOM 0 H GLU A 39 3.154 -12.961 5.419 1.00 0.00 H new ATOM 0 HA GLU A 39 1.176 -14.166 6.939 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.394 -13.650 7.797 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.137 -11.931 7.575 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.585 -11.806 9.365 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.339 -13.541 9.394 1.00 0.00 H new ATOM 623 N VAL A 40 0.734 -10.885 6.757 1.00 0.00 N ATOM 624 CA VAL A 40 -0.271 -9.833 6.859 1.00 0.00 C ATOM 625 C VAL A 40 -1.467 -10.128 5.961 1.00 0.00 C ATOM 626 O VAL A 40 -2.591 -10.285 6.438 1.00 0.00 O ATOM 627 CB VAL A 40 0.314 -8.459 6.482 1.00 0.00 C ATOM 628 CG1 VAL A 40 -0.799 -7.476 6.156 1.00 0.00 C ATOM 629 CG2 VAL A 40 1.193 -7.929 7.605 1.00 0.00 C ATOM 0 H VAL A 40 1.677 -10.549 6.563 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.598 -9.807 7.898 1.00 0.00 H new ATOM 0 HB VAL A 40 0.932 -8.578 5.592 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.366 -6.511 5.892 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.384 -7.853 5.317 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.446 -7.358 7.025 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.598 -6.957 7.322 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.599 -7.824 8.513 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.012 -8.625 7.785 1.00 0.00 H new ATOM 639 N ALA A 41 -1.218 -10.201 4.657 1.00 0.00 N ATOM 640 CA ALA A 41 -2.274 -10.479 3.692 1.00 0.00 C ATOM 641 C ALA A 41 -3.158 -11.629 4.161 1.00 0.00 C ATOM 642 O ALA A 41 -4.338 -11.699 3.817 1.00 0.00 O ATOM 643 CB ALA A 41 -1.674 -10.793 2.330 1.00 0.00 C ATOM 0 H ALA A 41 -0.294 -10.071 4.245 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.897 -9.589 3.606 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.474 -10.999 1.619 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.091 -9.940 1.984 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.026 -11.666 2.410 1.00 0.00 H new ATOM 649 N LEU A 42 -2.580 -12.530 4.949 1.00 0.00 N ATOM 650 CA LEU A 42 -3.316 -13.679 5.466 1.00 0.00 C ATOM 651 C LEU A 42 -3.973 -13.348 6.802 1.00 0.00 C ATOM 652 O LEU A 42 -4.983 -13.945 7.174 1.00 0.00 O ATOM 653 CB LEU A 42 -2.380 -14.878 5.627 1.00 0.00 C ATOM 654 CG LEU A 42 -1.941 -15.565 4.334 1.00 0.00 C ATOM 655 CD1 LEU A 42 -0.620 -16.292 4.537 1.00 0.00 C ATOM 656 CD2 LEU A 42 -3.014 -16.530 3.852 1.00 0.00 C ATOM 0 H LEU A 42 -1.604 -12.487 5.244 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.099 -13.931 4.750 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.488 -14.548 6.160 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.874 -15.617 6.258 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.798 -14.801 3.570 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.324 -16.775 3.606 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.147 -15.577 4.835 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.735 -17.046 5.316 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.684 -17.010 2.931 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.189 -17.289 4.614 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.938 -15.983 3.666 1.00 0.00 H new ATOM 668 N LYS A 43 -3.393 -12.392 7.520 1.00 0.00 N ATOM 669 CA LYS A 43 -3.923 -11.978 8.814 1.00 0.00 C ATOM 670 C LYS A 43 -5.062 -10.978 8.641 1.00 0.00 C ATOM 671 O LYS A 43 -6.196 -11.239 9.043 1.00 0.00 O ATOM 672 CB LYS A 43 -2.814 -11.362 9.669 1.00 0.00 C ATOM 673 CG LYS A 43 -3.329 -10.440 10.760 1.00 0.00 C ATOM 674 CD LYS A 43 -2.195 -9.903 11.618 1.00 0.00 C ATOM 675 CE LYS A 43 -1.657 -10.968 12.561 1.00 0.00 C ATOM 676 NZ LYS A 43 -0.461 -10.493 13.310 1.00 0.00 N ATOM 0 H LYS A 43 -2.555 -11.889 7.227 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.313 -12.862 9.318 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.232 -12.162 10.126 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.136 -10.804 9.023 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.871 -9.608 10.309 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.038 -10.979 11.388 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.390 -9.544 10.976 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.548 -9.049 12.196 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.437 -11.256 13.266 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.398 -11.860 11.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.125 -11.248 13.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.292 -10.242 12.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.714 -9.657 13.874 1.00 0.00 H new ATOM 690 N ILE A 44 -4.753 -9.834 8.039 1.00 0.00 N ATOM 691 CA ILE A 44 -5.751 -8.797 7.810 1.00 0.00 C ATOM 692 C ILE A 44 -6.856 -9.292 6.883 1.00 0.00 C ATOM 693 O ILE A 44 -7.873 -8.625 6.702 1.00 0.00 O ATOM 694 CB ILE A 44 -5.118 -7.530 7.206 1.00 0.00 C ATOM 695 CG1 ILE A 44 -4.606 -7.814 5.792 1.00 0.00 C ATOM 696 CG2 ILE A 44 -3.989 -7.027 8.093 1.00 0.00 C ATOM 697 CD1 ILE A 44 -3.977 -6.611 5.124 1.00 0.00 C ATOM 0 H ILE A 44 -3.819 -9.602 7.701 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.179 -8.551 8.782 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.881 -6.753 7.147 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.874 -8.620 5.835 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.434 -8.168 5.179 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.552 -6.131 7.652 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.381 -6.791 9.082 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.224 -7.798 8.181 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.637 -6.886 4.126 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.713 -5.810 5.049 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.128 -6.269 5.715 1.00 0.00 H new ATOM 709 N ASN A 45 -6.649 -10.468 6.300 1.00 0.00 N ATOM 710 CA ASN A 45 -7.628 -11.054 5.392 1.00 0.00 C ATOM 711 C ASN A 45 -7.690 -10.274 4.082 1.00 0.00 C ATOM 712 O ASN A 45 -8.767 -9.878 3.633 1.00 0.00 O ATOM 713 CB ASN A 45 -9.010 -11.082 6.048 1.00 0.00 C ATOM 714 CG ASN A 45 -9.960 -12.039 5.354 1.00 0.00 C ATOM 715 OD1 ASN A 45 -9.611 -13.187 5.079 1.00 0.00 O ATOM 716 ND2 ASN A 45 -11.169 -11.569 5.069 1.00 0.00 N ATOM 0 H ASN A 45 -5.812 -11.034 6.440 1.00 0.00 H new ATOM 0 HA ASN A 45 -7.317 -12.075 5.172 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -8.907 -11.371 7.094 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -9.436 -10.079 6.035 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -11.852 -12.167 4.603 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -11.415 -10.610 5.316 1.00 0.00 H new ATOM 723 N LEU A 46 -6.530 -10.058 3.473 1.00 0.00 N ATOM 724 CA LEU A 46 -6.451 -9.325 2.214 1.00 0.00 C ATOM 725 C LEU A 46 -5.520 -10.029 1.232 1.00 0.00 C ATOM 726 O LEU A 46 -4.625 -10.782 1.618 1.00 0.00 O ATOM 727 CB LEU A 46 -5.965 -7.896 2.461 1.00 0.00 C ATOM 728 CG LEU A 46 -6.977 -6.944 3.099 1.00 0.00 C ATOM 729 CD1 LEU A 46 -6.399 -5.541 3.201 1.00 0.00 C ATOM 730 CD2 LEU A 46 -8.274 -6.931 2.301 1.00 0.00 C ATOM 0 H LEU A 46 -5.631 -10.380 3.830 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.450 -9.291 1.779 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -5.083 -7.939 3.100 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.648 -7.472 1.508 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.196 -7.299 4.106 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.133 -4.877 3.657 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.498 -5.562 3.814 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.151 -5.176 2.204 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.983 -6.248 2.770 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.071 -6.601 1.282 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.698 -7.935 2.279 1.00 0.00 H new ATOM 742 N PRO A 47 -5.731 -9.778 -0.069 1.00 0.00 N ATOM 743 CA PRO A 47 -4.919 -10.375 -1.132 1.00 0.00 C ATOM 744 C PRO A 47 -3.498 -9.823 -1.156 1.00 0.00 C ATOM 745 O PRO A 47 -3.295 -8.611 -1.231 1.00 0.00 O ATOM 746 CB PRO A 47 -5.666 -9.986 -2.410 1.00 0.00 C ATOM 747 CG PRO A 47 -6.410 -8.746 -2.051 1.00 0.00 C ATOM 748 CD PRO A 47 -6.780 -8.891 -0.601 1.00 0.00 C ATOM 0 HA PRO A 47 -4.803 -11.451 -1.001 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.975 -9.809 -3.234 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.345 -10.777 -2.728 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.794 -7.861 -2.210 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.299 -8.631 -2.671 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -6.789 -7.928 -0.090 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -7.773 -9.325 -0.481 1.00 0.00 H new ATOM 756 N GLU A 48 -2.518 -10.719 -1.092 1.00 0.00 N ATOM 757 CA GLU A 48 -1.116 -10.319 -1.106 1.00 0.00 C ATOM 758 C GLU A 48 -0.894 -9.146 -2.057 1.00 0.00 C ATOM 759 O GLU A 48 -0.077 -8.264 -1.791 1.00 0.00 O ATOM 760 CB GLU A 48 -0.231 -11.497 -1.518 1.00 0.00 C ATOM 761 CG GLU A 48 1.161 -11.455 -0.908 1.00 0.00 C ATOM 762 CD GLU A 48 2.153 -10.699 -1.771 1.00 0.00 C ATOM 763 OE1 GLU A 48 2.033 -9.460 -1.867 1.00 0.00 O ATOM 764 OE2 GLU A 48 3.049 -11.348 -2.350 1.00 0.00 O ATOM 0 H GLU A 48 -2.669 -11.726 -1.030 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.845 -10.004 -0.098 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.719 -12.427 -1.226 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.142 -11.512 -2.604 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.109 -10.987 0.075 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.519 -12.474 -0.757 1.00 0.00 H new ATOM 771 N SER A 49 -1.628 -9.143 -3.165 1.00 0.00 N ATOM 772 CA SER A 49 -1.509 -8.082 -4.158 1.00 0.00 C ATOM 773 C SER A 49 -1.813 -6.721 -3.537 1.00 0.00 C ATOM 774 O SER A 49 -1.045 -5.771 -3.692 1.00 0.00 O ATOM 775 CB SER A 49 -2.456 -8.343 -5.331 1.00 0.00 C ATOM 776 OG SER A 49 -1.833 -9.145 -6.320 1.00 0.00 O ATOM 0 H SER A 49 -2.311 -9.864 -3.398 1.00 0.00 H new ATOM 0 HA SER A 49 -0.482 -8.074 -4.524 1.00 0.00 H new ATOM 0 HB2 SER A 49 -3.358 -8.839 -4.971 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.767 -7.395 -5.770 1.00 0.00 H new ATOM 0 HG SER A 49 -2.459 -9.299 -7.058 1.00 0.00 H new ATOM 782 N ARG A 50 -2.938 -6.636 -2.835 1.00 0.00 N ATOM 783 CA ARG A 50 -3.345 -5.393 -2.192 1.00 0.00 C ATOM 784 C ARG A 50 -2.270 -4.903 -1.226 1.00 0.00 C ATOM 785 O ARG A 50 -2.065 -3.700 -1.067 1.00 0.00 O ATOM 786 CB ARG A 50 -4.666 -5.588 -1.446 1.00 0.00 C ATOM 787 CG ARG A 50 -5.894 -5.332 -2.304 1.00 0.00 C ATOM 788 CD ARG A 50 -5.950 -3.889 -2.780 1.00 0.00 C ATOM 789 NE ARG A 50 -5.229 -3.698 -4.035 1.00 0.00 N ATOM 790 CZ ARG A 50 -5.577 -4.279 -5.178 1.00 0.00 C ATOM 791 NH1 ARG A 50 -6.630 -5.083 -5.223 1.00 0.00 N ATOM 792 NH2 ARG A 50 -4.871 -4.055 -6.279 1.00 0.00 N ATOM 0 H ARG A 50 -3.584 -7.413 -2.697 1.00 0.00 H new ATOM 0 HA ARG A 50 -3.482 -4.640 -2.968 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.709 -6.607 -1.060 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.689 -4.920 -0.585 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -5.883 -6.000 -3.165 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -6.793 -5.563 -1.733 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.990 -3.591 -2.911 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.525 -3.238 -2.015 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.414 -3.085 -4.034 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -7.175 -5.257 -4.379 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -6.895 -5.528 -6.102 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.061 -3.436 -6.248 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.139 -4.501 -7.156 1.00 0.00 H new ATOM 806 N VAL A 51 -1.587 -5.845 -0.583 1.00 0.00 N ATOM 807 CA VAL A 51 -0.533 -5.510 0.367 1.00 0.00 C ATOM 808 C VAL A 51 0.686 -4.934 -0.344 1.00 0.00 C ATOM 809 O VAL A 51 1.122 -3.822 -0.048 1.00 0.00 O ATOM 810 CB VAL A 51 -0.102 -6.742 1.185 1.00 0.00 C ATOM 811 CG1 VAL A 51 0.964 -6.362 2.202 1.00 0.00 C ATOM 812 CG2 VAL A 51 -1.304 -7.373 1.871 1.00 0.00 C ATOM 0 H VAL A 51 -1.745 -6.846 -0.703 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.944 -4.760 1.043 1.00 0.00 H new ATOM 0 HB VAL A 51 0.326 -7.477 0.503 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.256 -7.245 2.770 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.835 -5.960 1.684 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.566 -5.608 2.882 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.981 -8.242 2.444 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.763 -6.646 2.541 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.030 -7.684 1.120 1.00 0.00 H new ATOM 822 N GLN A 52 1.232 -5.699 -1.285 1.00 0.00 N ATOM 823 CA GLN A 52 2.401 -5.264 -2.039 1.00 0.00 C ATOM 824 C GLN A 52 2.197 -3.860 -2.599 1.00 0.00 C ATOM 825 O GLN A 52 3.126 -3.054 -2.636 1.00 0.00 O ATOM 826 CB GLN A 52 2.693 -6.243 -3.178 1.00 0.00 C ATOM 827 CG GLN A 52 3.665 -5.700 -4.213 1.00 0.00 C ATOM 828 CD GLN A 52 3.668 -6.512 -5.493 1.00 0.00 C ATOM 829 OE1 GLN A 52 4.650 -7.182 -5.814 1.00 0.00 O ATOM 830 NE2 GLN A 52 2.566 -6.458 -6.232 1.00 0.00 N ATOM 0 H GLN A 52 0.883 -6.622 -1.543 1.00 0.00 H new ATOM 0 HA GLN A 52 3.253 -5.244 -1.359 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.098 -7.164 -2.759 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.757 -6.502 -3.672 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.405 -4.667 -4.443 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.670 -5.689 -3.792 1.00 0.00 H new ATOM 0 HE21 GLN A 52 1.775 -5.890 -5.928 1.00 0.00 H new ATOM 0 HE22 GLN A 52 2.510 -6.985 -7.104 1.00 0.00 H new ATOM 839 N VAL A 53 0.974 -3.575 -3.036 1.00 0.00 N ATOM 840 CA VAL A 53 0.647 -2.268 -3.594 1.00 0.00 C ATOM 841 C VAL A 53 0.503 -1.222 -2.495 1.00 0.00 C ATOM 842 O VAL A 53 1.104 -0.150 -2.561 1.00 0.00 O ATOM 843 CB VAL A 53 -0.655 -2.318 -4.414 1.00 0.00 C ATOM 844 CG1 VAL A 53 -1.087 -0.917 -4.818 1.00 0.00 C ATOM 845 CG2 VAL A 53 -0.480 -3.204 -5.638 1.00 0.00 C ATOM 0 H VAL A 53 0.194 -4.232 -3.014 1.00 0.00 H new ATOM 0 HA VAL A 53 1.471 -1.989 -4.251 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.439 -2.748 -3.791 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.009 -0.973 -5.397 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.256 -0.316 -3.924 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.306 -0.456 -5.423 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.410 -3.228 -6.206 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.318 -2.805 -6.265 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.222 -4.215 -5.322 1.00 0.00 H new ATOM 855 N TRP A 54 -0.298 -1.540 -1.484 1.00 0.00 N ATOM 856 CA TRP A 54 -0.521 -0.627 -0.369 1.00 0.00 C ATOM 857 C TRP A 54 0.783 0.033 0.064 1.00 0.00 C ATOM 858 O TRP A 54 0.778 1.114 0.652 1.00 0.00 O ATOM 859 CB TRP A 54 -1.145 -1.373 0.811 1.00 0.00 C ATOM 860 CG TRP A 54 -1.398 -0.498 2.001 1.00 0.00 C ATOM 861 CD1 TRP A 54 -2.568 0.129 2.324 1.00 0.00 C ATOM 862 CD2 TRP A 54 -0.459 -0.151 3.025 1.00 0.00 C ATOM 863 NE1 TRP A 54 -2.412 0.845 3.487 1.00 0.00 N ATOM 864 CE2 TRP A 54 -1.128 0.688 3.937 1.00 0.00 C ATOM 865 CE3 TRP A 54 0.881 -0.470 3.261 1.00 0.00 C ATOM 866 CZ2 TRP A 54 -0.501 1.212 5.064 1.00 0.00 C ATOM 867 CZ3 TRP A 54 1.502 0.051 4.380 1.00 0.00 C ATOM 868 CH2 TRP A 54 0.812 0.884 5.271 1.00 0.00 C ATOM 0 H TRP A 54 -0.804 -2.423 -1.414 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.207 0.152 -0.702 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -2.086 -1.821 0.492 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.486 -2.191 1.104 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.481 0.071 1.750 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.135 1.403 3.941 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.421 -1.112 2.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.032 1.855 5.751 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 2.538 -0.188 4.571 1.00 0.00 H new ATOM 0 HH2 TRP A 54 1.326 1.275 6.137 1.00 0.00 H new ATOM 879 N PHE A 55 1.900 -0.624 -0.232 1.00 0.00 N ATOM 880 CA PHE A 55 3.213 -0.100 0.128 1.00 0.00 C ATOM 881 C PHE A 55 3.659 0.974 -0.860 1.00 0.00 C ATOM 882 O PHE A 55 3.889 2.124 -0.483 1.00 0.00 O ATOM 883 CB PHE A 55 4.243 -1.231 0.168 1.00 0.00 C ATOM 884 CG PHE A 55 4.365 -1.882 1.516 1.00 0.00 C ATOM 885 CD1 PHE A 55 3.355 -2.697 2.001 1.00 0.00 C ATOM 886 CD2 PHE A 55 5.491 -1.679 2.299 1.00 0.00 C ATOM 887 CE1 PHE A 55 3.464 -3.298 3.241 1.00 0.00 C ATOM 888 CE2 PHE A 55 5.606 -2.278 3.539 1.00 0.00 C ATOM 889 CZ PHE A 55 4.591 -3.088 4.011 1.00 0.00 C ATOM 0 H PHE A 55 1.922 -1.520 -0.720 1.00 0.00 H new ATOM 0 HA PHE A 55 3.139 0.350 1.118 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.970 -1.987 -0.568 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.216 -0.837 -0.126 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.472 -2.865 1.403 1.00 0.00 H new ATOM 0 HD2 PHE A 55 6.287 -1.046 1.936 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.669 -3.931 3.607 1.00 0.00 H new ATOM 0 HE2 PHE A 55 6.489 -2.113 4.139 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.679 -3.556 4.980 1.00 0.00 H new ATOM 899 N LYS A 56 3.780 0.592 -2.126 1.00 0.00 N ATOM 900 CA LYS A 56 4.197 1.520 -3.170 1.00 0.00 C ATOM 901 C LYS A 56 3.386 2.811 -3.107 1.00 0.00 C ATOM 902 O LYS A 56 3.858 3.872 -3.513 1.00 0.00 O ATOM 903 CB LYS A 56 4.041 0.874 -4.548 1.00 0.00 C ATOM 904 CG LYS A 56 2.598 0.772 -5.012 1.00 0.00 C ATOM 905 CD LYS A 56 2.496 0.801 -6.528 1.00 0.00 C ATOM 906 CE LYS A 56 1.165 0.244 -7.008 1.00 0.00 C ATOM 907 NZ LYS A 56 1.199 -1.239 -7.140 1.00 0.00 N ATOM 0 H LYS A 56 3.595 -0.356 -2.455 1.00 0.00 H new ATOM 0 HA LYS A 56 5.247 1.763 -3.006 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.608 1.452 -5.277 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.477 -0.124 -4.523 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.158 -0.151 -4.634 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.021 1.596 -4.592 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.612 1.825 -6.882 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.311 0.221 -6.960 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.379 0.528 -6.308 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.911 0.688 -7.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.247 -1.589 -7.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.859 -1.505 -7.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.515 -1.660 -6.243 1.00 0.00 H new ATOM 921 N ASN A 57 2.165 2.712 -2.593 1.00 0.00 N ATOM 922 CA ASN A 57 1.289 3.872 -2.475 1.00 0.00 C ATOM 923 C ASN A 57 1.623 4.682 -1.227 1.00 0.00 C ATOM 924 O ASN A 57 1.517 5.909 -1.223 1.00 0.00 O ATOM 925 CB ASN A 57 -0.176 3.429 -2.433 1.00 0.00 C ATOM 926 CG ASN A 57 -0.778 3.292 -3.818 1.00 0.00 C ATOM 927 OD1 ASN A 57 -0.247 3.823 -4.793 1.00 0.00 O ATOM 928 ND2 ASN A 57 -1.894 2.578 -3.909 1.00 0.00 N ATOM 0 H ASN A 57 1.759 1.841 -2.251 1.00 0.00 H new ATOM 0 HA ASN A 57 1.446 4.504 -3.349 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.249 2.475 -1.912 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.755 4.152 -1.858 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.346 2.452 -4.814 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.299 2.156 -3.073 1.00 0.00 H new ATOM 935 N ARG A 58 2.028 3.988 -0.168 1.00 0.00 N ATOM 936 CA ARG A 58 2.377 4.642 1.087 1.00 0.00 C ATOM 937 C ARG A 58 3.717 5.363 0.969 1.00 0.00 C ATOM 938 O ARG A 58 3.781 6.590 1.042 1.00 0.00 O ATOM 939 CB ARG A 58 2.435 3.618 2.222 1.00 0.00 C ATOM 940 CG ARG A 58 1.067 3.145 2.686 1.00 0.00 C ATOM 941 CD ARG A 58 0.428 4.140 3.641 1.00 0.00 C ATOM 942 NE ARG A 58 -0.305 5.185 2.932 1.00 0.00 N ATOM 943 CZ ARG A 58 -1.103 6.060 3.534 1.00 0.00 C ATOM 944 NH1 ARG A 58 -1.269 6.016 4.849 1.00 0.00 N ATOM 945 NH2 ARG A 58 -1.737 6.982 2.821 1.00 0.00 N ATOM 0 H ARG A 58 2.122 2.972 -0.155 1.00 0.00 H new ATOM 0 HA ARG A 58 1.605 5.379 1.311 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.016 2.756 1.893 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.965 4.056 3.068 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.418 3.000 1.822 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.163 2.177 3.178 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -0.250 3.614 4.313 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.201 4.596 4.260 1.00 0.00 H new ATOM 0 HE ARG A 58 -0.199 5.247 1.919 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -0.783 5.309 5.401 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.882 6.689 5.308 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -1.612 7.020 1.809 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.349 7.653 3.284 1.00 0.00 H new ATOM 959 N ARG A 59 4.784 4.592 0.788 1.00 0.00 N ATOM 960 CA ARG A 59 6.122 5.157 0.662 1.00 0.00 C ATOM 961 C ARG A 59 6.143 6.283 -0.368 1.00 0.00 C ATOM 962 O ARG A 59 6.978 7.184 -0.302 1.00 0.00 O ATOM 963 CB ARG A 59 7.123 4.070 0.265 1.00 0.00 C ATOM 964 CG ARG A 59 6.672 3.230 -0.919 1.00 0.00 C ATOM 965 CD ARG A 59 7.858 2.708 -1.715 1.00 0.00 C ATOM 966 NE ARG A 59 8.661 3.792 -2.274 1.00 0.00 N ATOM 967 CZ ARG A 59 9.768 3.596 -2.983 1.00 0.00 C ATOM 968 NH1 ARG A 59 10.199 2.364 -3.217 1.00 0.00 N ATOM 969 NH2 ARG A 59 10.445 4.633 -3.459 1.00 0.00 N ATOM 0 H ARG A 59 4.748 3.575 0.725 1.00 0.00 H new ATOM 0 HA ARG A 59 6.407 5.568 1.630 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.078 4.537 0.025 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.294 3.416 1.120 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.073 2.391 -0.564 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.032 3.828 -1.568 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.483 2.089 -1.071 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.500 2.069 -2.522 1.00 0.00 H new ATOM 0 HE ARG A 59 8.356 4.752 -2.112 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.681 1.565 -2.853 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.049 2.216 -3.761 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.116 5.582 -3.281 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.294 4.481 -4.003 1.00 0.00 H new ATOM 983 N ALA A 60 5.217 6.223 -1.320 1.00 0.00 N ATOM 984 CA ALA A 60 5.128 7.237 -2.363 1.00 0.00 C ATOM 985 C ALA A 60 4.870 8.617 -1.767 1.00 0.00 C ATOM 986 O ALA A 60 5.442 9.613 -2.210 1.00 0.00 O ATOM 987 CB ALA A 60 4.034 6.878 -3.357 1.00 0.00 C ATOM 0 H ALA A 60 4.518 5.483 -1.390 1.00 0.00 H new ATOM 0 HA ALA A 60 6.084 7.268 -2.886 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.979 7.644 -4.130 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.261 5.915 -3.816 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.077 6.817 -2.839 1.00 0.00 H new ATOM 993 N LYS A 61 4.006 8.669 -0.759 1.00 0.00 N ATOM 994 CA LYS A 61 3.672 9.926 -0.101 1.00 0.00 C ATOM 995 C LYS A 61 4.928 10.751 0.165 1.00 0.00 C ATOM 996 O LYS A 61 4.897 11.981 0.110 1.00 0.00 O ATOM 997 CB LYS A 61 2.937 9.658 1.214 1.00 0.00 C ATOM 998 CG LYS A 61 2.787 10.890 2.090 1.00 0.00 C ATOM 999 CD LYS A 61 2.146 10.550 3.425 1.00 0.00 C ATOM 1000 CE LYS A 61 1.390 11.739 3.998 1.00 0.00 C ATOM 1001 NZ LYS A 61 1.063 11.546 5.438 1.00 0.00 N ATOM 0 H LYS A 61 3.524 7.854 -0.380 1.00 0.00 H new ATOM 0 HA LYS A 61 3.020 10.493 -0.765 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.948 9.258 0.992 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.474 8.890 1.771 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.766 11.339 2.259 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.180 11.634 1.573 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.463 9.710 3.299 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.915 10.233 4.129 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.989 12.642 3.879 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.470 11.891 3.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.548 12.378 5.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.470 10.699 5.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.942 11.427 5.981 1.00 0.00 H new ATOM 1015 N CYS A 62 6.029 10.067 0.453 1.00 0.00 N ATOM 1016 CA CYS A 62 7.296 10.737 0.727 1.00 0.00 C ATOM 1017 C CYS A 62 7.495 11.926 -0.207 1.00 0.00 C ATOM 1018 O CYS A 62 8.005 12.970 0.201 1.00 0.00 O ATOM 1019 CB CYS A 62 8.459 9.755 0.576 1.00 0.00 C ATOM 1020 SG CYS A 62 8.803 9.273 -1.132 1.00 0.00 S ATOM 0 H CYS A 62 6.071 9.049 0.503 1.00 0.00 H new ATOM 0 HA CYS A 62 7.270 11.104 1.753 1.00 0.00 H new ATOM 0 HB2 CYS A 62 9.356 10.203 1.003 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.242 8.859 1.158 1.00 0.00 H new ATOM 0 HG CYS A 62 8.036 8.278 -1.465 1.00 0.00 H new ATOM 1026 N ARG A 63 7.090 11.761 -1.462 1.00 0.00 N ATOM 1027 CA ARG A 63 7.227 12.820 -2.455 1.00 0.00 C ATOM 1028 C ARG A 63 5.936 13.625 -2.572 1.00 0.00 C ATOM 1029 O ARG A 63 5.967 14.845 -2.727 1.00 0.00 O ATOM 1030 CB ARG A 63 7.597 12.228 -3.816 1.00 0.00 C ATOM 1031 CG ARG A 63 8.232 13.231 -4.765 1.00 0.00 C ATOM 1032 CD ARG A 63 9.698 13.460 -4.433 1.00 0.00 C ATOM 1033 NE ARG A 63 10.542 12.361 -4.895 1.00 0.00 N ATOM 1034 CZ ARG A 63 11.861 12.336 -4.748 1.00 0.00 C ATOM 1035 NH1 ARG A 63 12.485 13.345 -4.155 1.00 0.00 N ATOM 1036 NH2 ARG A 63 12.560 11.301 -5.195 1.00 0.00 N ATOM 0 H ARG A 63 6.664 10.904 -1.815 1.00 0.00 H new ATOM 0 HA ARG A 63 8.024 13.489 -2.129 1.00 0.00 H new ATOM 0 HB2 ARG A 63 8.286 11.397 -3.666 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.700 11.819 -4.281 1.00 0.00 H new ATOM 0 HG2 ARG A 63 8.142 12.871 -5.790 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.693 14.177 -4.710 1.00 0.00 H new ATOM 0 HD2 ARG A 63 10.032 14.391 -4.891 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.812 13.576 -3.355 1.00 0.00 H new ATOM 0 HE ARG A 63 10.093 11.569 -5.356 1.00 0.00 H new ATOM 0 HH11 ARG A 63 11.951 14.143 -3.810 1.00 0.00 H new ATOM 0 HH12 ARG A 63 13.499 13.323 -4.043 1.00 0.00 H new ATOM 0 HH21 ARG A 63 12.084 10.523 -5.652 1.00 0.00 H new ATOM 0 HH22 ARG A 63 13.574 11.283 -5.082 1.00 0.00 H new ATOM 1050 N GLN A 64 4.804 12.932 -2.497 1.00 0.00 N ATOM 1051 CA GLN A 64 3.503 13.583 -2.596 1.00 0.00 C ATOM 1052 C GLN A 64 3.392 14.733 -1.601 1.00 0.00 C ATOM 1053 O GLN A 64 3.123 15.872 -1.982 1.00 0.00 O ATOM 1054 CB GLN A 64 2.383 12.571 -2.351 1.00 0.00 C ATOM 1055 CG GLN A 64 1.070 12.941 -3.022 1.00 0.00 C ATOM 1056 CD GLN A 64 0.332 14.045 -2.292 1.00 0.00 C ATOM 1057 OE1 GLN A 64 0.038 13.929 -1.102 1.00 0.00 O ATOM 1058 NE2 GLN A 64 0.028 15.125 -3.002 1.00 0.00 N ATOM 0 H GLN A 64 4.762 11.921 -2.368 1.00 0.00 H new ATOM 0 HA GLN A 64 3.403 13.988 -3.603 1.00 0.00 H new ATOM 0 HB2 GLN A 64 2.703 11.593 -2.712 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.219 12.476 -1.278 1.00 0.00 H new ATOM 0 HG2 GLN A 64 1.266 13.257 -4.047 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.433 12.058 -3.077 1.00 0.00 H new ATOM 0 HE21 GLN A 64 0.291 15.179 -3.986 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -0.468 15.901 -2.563 1.00 0.00 H new ATOM 1067 N GLN A 65 3.601 14.426 -0.324 1.00 0.00 N ATOM 1068 CA GLN A 65 3.523 15.435 0.726 1.00 0.00 C ATOM 1069 C GLN A 65 4.159 16.745 0.271 1.00 0.00 C ATOM 1070 O GLN A 65 5.114 16.745 -0.506 1.00 0.00 O ATOM 1071 CB GLN A 65 4.213 14.934 1.996 1.00 0.00 C ATOM 1072 CG GLN A 65 5.712 14.737 1.836 1.00 0.00 C ATOM 1073 CD GLN A 65 6.434 14.648 3.167 1.00 0.00 C ATOM 1074 OE1 GLN A 65 6.346 13.639 3.867 1.00 0.00 O ATOM 1075 NE2 GLN A 65 7.152 15.706 3.523 1.00 0.00 N ATOM 0 H GLN A 65 3.825 13.488 0.008 1.00 0.00 H new ATOM 0 HA GLN A 65 2.470 15.619 0.941 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.032 15.645 2.802 1.00 0.00 H new ATOM 0 HB3 GLN A 65 3.761 13.989 2.297 1.00 0.00 H new ATOM 0 HG2 GLN A 65 5.896 13.827 1.265 1.00 0.00 H new ATOM 0 HG3 GLN A 65 6.124 15.564 1.258 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.197 16.521 2.912 1.00 0.00 H new ATOM 0 HE22 GLN A 65 7.659 15.704 4.408 1.00 0.00 H new ATOM 1084 N GLN A 66 3.621 17.858 0.758 1.00 0.00 N ATOM 1085 CA GLN A 66 4.136 19.175 0.400 1.00 0.00 C ATOM 1086 C GLN A 66 4.265 19.316 -1.113 1.00 0.00 C ATOM 1087 O GLN A 66 5.288 19.777 -1.617 1.00 0.00 O ATOM 1088 CB GLN A 66 5.494 19.413 1.064 1.00 0.00 C ATOM 1089 CG GLN A 66 5.393 20.003 2.461 1.00 0.00 C ATOM 1090 CD GLN A 66 6.705 19.938 3.218 1.00 0.00 C ATOM 1091 OE1 GLN A 66 7.307 18.872 3.348 1.00 0.00 O ATOM 1092 NE2 GLN A 66 7.155 21.080 3.723 1.00 0.00 N ATOM 0 H GLN A 66 2.829 17.875 1.401 1.00 0.00 H new ATOM 0 HA GLN A 66 3.429 19.923 0.757 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.034 18.468 1.116 1.00 0.00 H new ATOM 0 HB3 GLN A 66 6.083 20.083 0.437 1.00 0.00 H new ATOM 0 HG2 GLN A 66 5.070 21.042 2.390 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.627 19.468 3.023 1.00 0.00 H new ATOM 0 HE21 GLN A 66 6.623 21.940 3.591 1.00 0.00 H new ATOM 0 HE22 GLN A 66 8.032 21.097 4.243 1.00 0.00 H new ATOM 1101 N GLN A 67 3.220 18.914 -1.831 1.00 0.00 N ATOM 1102 CA GLN A 67 3.218 18.995 -3.286 1.00 0.00 C ATOM 1103 C GLN A 67 3.040 20.437 -3.751 1.00 0.00 C ATOM 1104 O GLN A 67 2.545 21.282 -3.006 1.00 0.00 O ATOM 1105 CB GLN A 67 2.105 18.120 -3.865 1.00 0.00 C ATOM 1106 CG GLN A 67 2.418 17.574 -5.249 1.00 0.00 C ATOM 1107 CD GLN A 67 1.210 16.945 -5.915 1.00 0.00 C ATOM 1108 OE1 GLN A 67 1.257 15.795 -6.352 1.00 0.00 O ATOM 1109 NE2 GLN A 67 0.119 17.698 -5.996 1.00 0.00 N ATOM 0 H GLN A 67 2.365 18.530 -1.428 1.00 0.00 H new ATOM 0 HA GLN A 67 4.181 18.632 -3.646 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.920 17.286 -3.188 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.184 18.702 -3.913 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.795 18.381 -5.877 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.213 16.832 -5.172 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.125 18.646 -5.620 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -0.725 17.328 -6.434 1.00 0.00 H new ATOM 1118 N GLN A 68 3.449 20.710 -4.986 1.00 0.00 N ATOM 1119 CA GLN A 68 3.335 22.050 -5.549 1.00 0.00 C ATOM 1120 C GLN A 68 2.069 22.743 -5.055 1.00 0.00 C ATOM 1121 O GLN A 68 2.106 23.902 -4.643 1.00 0.00 O ATOM 1122 CB GLN A 68 3.332 21.986 -7.077 1.00 0.00 C ATOM 1123 CG GLN A 68 3.246 23.350 -7.743 1.00 0.00 C ATOM 1124 CD GLN A 68 4.547 24.124 -7.658 1.00 0.00 C ATOM 1125 OE1 GLN A 68 5.452 23.932 -8.471 1.00 0.00 O ATOM 1126 NE2 GLN A 68 4.647 25.006 -6.670 1.00 0.00 N ATOM 0 H GLN A 68 3.862 20.022 -5.615 1.00 0.00 H new ATOM 0 HA GLN A 68 4.197 22.629 -5.218 1.00 0.00 H new ATOM 0 HB2 GLN A 68 4.239 21.483 -7.413 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.490 21.377 -7.405 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.971 23.222 -8.790 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.451 23.930 -7.274 1.00 0.00 H new ATOM 0 HE21 GLN A 68 3.872 25.133 -6.019 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.499 25.557 -6.562 1.00 0.00 H new ATOM 1135 N GLN A 69 0.952 22.025 -5.100 1.00 0.00 N ATOM 1136 CA GLN A 69 -0.325 22.572 -4.658 1.00 0.00 C ATOM 1137 C GLN A 69 -0.225 23.105 -3.233 1.00 0.00 C ATOM 1138 O GLN A 69 0.581 22.625 -2.436 1.00 0.00 O ATOM 1139 CB GLN A 69 -1.417 21.503 -4.739 1.00 0.00 C ATOM 1140 CG GLN A 69 -2.794 22.008 -4.337 1.00 0.00 C ATOM 1141 CD GLN A 69 -3.488 22.762 -5.454 1.00 0.00 C ATOM 1142 OE1 GLN A 69 -3.075 22.698 -6.612 1.00 0.00 O ATOM 1143 NE2 GLN A 69 -4.549 23.483 -5.111 1.00 0.00 N ATOM 0 H GLN A 69 0.905 21.064 -5.438 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.585 23.399 -5.319 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.463 21.119 -5.758 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.144 20.667 -4.095 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -3.413 21.163 -4.035 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.699 22.660 -3.468 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.856 23.507 -4.139 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.057 24.012 -5.820 1.00 0.00 H new ATOM 1152 N GLN A 70 -1.047 24.101 -2.919 1.00 0.00 N ATOM 1153 CA GLN A 70 -1.049 24.700 -1.590 1.00 0.00 C ATOM 1154 C GLN A 70 -1.094 23.626 -0.509 1.00 0.00 C ATOM 1155 O GLN A 70 -2.031 22.831 -0.449 1.00 0.00 O ATOM 1156 CB GLN A 70 -2.242 25.646 -1.436 1.00 0.00 C ATOM 1157 CG GLN A 70 -2.115 26.597 -0.256 1.00 0.00 C ATOM 1158 CD GLN A 70 -2.686 26.017 1.024 1.00 0.00 C ATOM 1159 OE1 GLN A 70 -3.544 25.135 0.991 1.00 0.00 O ATOM 1160 NE2 GLN A 70 -2.211 26.512 2.161 1.00 0.00 N ATOM 0 H GLN A 70 -1.720 24.510 -3.567 1.00 0.00 H new ATOM 0 HA GLN A 70 -0.126 25.268 -1.474 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -2.354 26.228 -2.351 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -3.151 25.056 -1.320 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -1.064 26.842 -0.103 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -2.629 27.530 -0.489 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -1.500 27.243 2.141 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -2.557 26.161 3.054 1.00 0.00 H new ATOM 1169 N ASN A 71 -0.075 23.609 0.344 1.00 0.00 N ATOM 1170 CA ASN A 71 0.002 22.631 1.423 1.00 0.00 C ATOM 1171 C ASN A 71 0.615 23.250 2.676 1.00 0.00 C ATOM 1172 O ASN A 71 1.009 24.415 2.676 1.00 0.00 O ATOM 1173 CB ASN A 71 0.826 21.419 0.984 1.00 0.00 C ATOM 1174 CG ASN A 71 0.034 20.467 0.110 1.00 0.00 C ATOM 1175 OD1 ASN A 71 0.202 20.440 -1.110 1.00 0.00 O ATOM 1176 ND2 ASN A 71 -0.836 19.679 0.731 1.00 0.00 N ATOM 0 H ASN A 71 0.709 24.261 0.309 1.00 0.00 H new ATOM 0 HA ASN A 71 -1.012 22.307 1.658 1.00 0.00 H new ATOM 0 HB2 ASN A 71 1.707 21.760 0.440 1.00 0.00 H new ATOM 0 HB3 ASN A 71 1.182 20.887 1.866 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -1.398 19.018 0.195 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -0.942 19.735 1.744 1.00 0.00 H new ATOM 1183 N GLY A 72 0.693 22.460 3.743 1.00 0.00 N ATOM 1184 CA GLY A 72 1.259 22.947 4.987 1.00 0.00 C ATOM 1185 C GLY A 72 2.406 23.913 4.763 1.00 0.00 C ATOM 1186 O GLY A 72 2.317 25.087 5.119 1.00 0.00 O ATOM 0 H GLY A 72 0.374 21.491 3.768 1.00 0.00 H new ATOM 0 HA2 GLY A 72 0.480 23.441 5.568 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.610 22.101 5.578 1.00 0.00 H new ATOM 1190 N GLY A 73 3.488 23.417 4.170 1.00 0.00 N ATOM 1191 CA GLY A 73 4.643 24.258 3.911 1.00 0.00 C ATOM 1192 C GLY A 73 4.609 24.879 2.529 1.00 0.00 C ATOM 1193 O GLY A 73 5.409 24.524 1.663 1.00 0.00 O ATOM 0 H GLY A 73 3.586 22.449 3.865 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.688 25.048 4.660 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.552 23.665 4.017 1.00 0.00 H new ATOM 1197 N GLN A 74 3.680 25.806 2.321 1.00 0.00 N ATOM 1198 CA GLN A 74 3.545 26.476 1.033 1.00 0.00 C ATOM 1199 C GLN A 74 4.895 26.981 0.537 1.00 0.00 C ATOM 1200 O GLN A 74 5.234 26.829 -0.637 1.00 0.00 O ATOM 1201 CB GLN A 74 2.559 27.641 1.140 1.00 0.00 C ATOM 1202 CG GLN A 74 3.013 28.735 2.092 1.00 0.00 C ATOM 1203 CD GLN A 74 1.852 29.472 2.731 1.00 0.00 C ATOM 1204 OE1 GLN A 74 0.957 28.859 3.312 1.00 0.00 O ATOM 1205 NE2 GLN A 74 1.861 30.796 2.625 1.00 0.00 N ATOM 0 H GLN A 74 3.010 26.110 3.027 1.00 0.00 H new ATOM 0 HA GLN A 74 3.163 25.751 0.314 1.00 0.00 H new ATOM 0 HB2 GLN A 74 2.409 28.071 0.150 1.00 0.00 H new ATOM 0 HB3 GLN A 74 1.593 27.260 1.472 1.00 0.00 H new ATOM 0 HG2 GLN A 74 3.634 28.297 2.873 1.00 0.00 H new ATOM 0 HG3 GLN A 74 3.636 29.447 1.551 1.00 0.00 H new ATOM 0 HE21 GLN A 74 2.623 31.263 2.134 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.105 31.346 3.034 1.00 0.00 H new ATOM 1214 N SER A 75 5.663 27.584 1.439 1.00 0.00 N ATOM 1215 CA SER A 75 6.976 28.116 1.092 1.00 0.00 C ATOM 1216 C SER A 75 7.907 27.002 0.622 1.00 0.00 C ATOM 1217 O SER A 75 8.580 27.130 -0.400 1.00 0.00 O ATOM 1218 CB SER A 75 7.591 28.837 2.293 1.00 0.00 C ATOM 1219 OG SER A 75 7.910 27.923 3.328 1.00 0.00 O ATOM 0 H SER A 75 5.399 27.716 2.415 1.00 0.00 H new ATOM 0 HA SER A 75 6.848 28.827 0.276 1.00 0.00 H new ATOM 0 HB2 SER A 75 8.491 29.367 1.981 1.00 0.00 H new ATOM 0 HB3 SER A 75 6.894 29.586 2.667 1.00 0.00 H new ATOM 0 HG SER A 75 8.303 28.408 4.083 1.00 0.00 H new ATOM 1225 N GLY A 76 7.939 25.908 1.377 1.00 0.00 N ATOM 1226 CA GLY A 76 8.790 24.787 1.022 1.00 0.00 C ATOM 1227 C GLY A 76 10.084 25.226 0.367 1.00 0.00 C ATOM 1228 O GLY A 76 11.057 25.572 1.036 1.00 0.00 O ATOM 0 H GLY A 76 7.391 25.778 2.228 1.00 0.00 H new ATOM 0 HA2 GLY A 76 9.018 24.210 1.918 1.00 0.00 H new ATOM 0 HA3 GLY A 76 8.250 24.125 0.345 1.00 0.00 H new ATOM 1232 N PRO A 77 10.107 25.214 -0.974 1.00 0.00 N ATOM 1233 CA PRO A 77 11.286 25.610 -1.750 1.00 0.00 C ATOM 1234 C PRO A 77 11.562 27.107 -1.661 1.00 0.00 C ATOM 1235 O PRO A 77 10.690 27.926 -1.950 1.00 0.00 O ATOM 1236 CB PRO A 77 10.916 25.218 -3.183 1.00 0.00 C ATOM 1237 CG PRO A 77 9.427 25.239 -3.209 1.00 0.00 C ATOM 1238 CD PRO A 77 8.982 24.813 -1.837 1.00 0.00 C ATOM 0 HA PRO A 77 12.194 25.131 -1.384 1.00 0.00 H new ATOM 0 HB2 PRO A 77 11.334 25.919 -3.906 1.00 0.00 H new ATOM 0 HB3 PRO A 77 11.302 24.231 -3.436 1.00 0.00 H new ATOM 0 HG2 PRO A 77 9.055 26.235 -3.448 1.00 0.00 H new ATOM 0 HG3 PRO A 77 9.041 24.563 -3.972 1.00 0.00 H new ATOM 0 HD2 PRO A 77 8.055 25.306 -1.544 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.801 23.739 -1.788 1.00 0.00 H new ATOM 1246 N SER A 78 12.780 27.457 -1.261 1.00 0.00 N ATOM 1247 CA SER A 78 13.170 28.856 -1.131 1.00 0.00 C ATOM 1248 C SER A 78 13.744 29.384 -2.443 1.00 0.00 C ATOM 1249 O SER A 78 14.891 29.102 -2.788 1.00 0.00 O ATOM 1250 CB SER A 78 14.197 29.019 -0.009 1.00 0.00 C ATOM 1251 OG SER A 78 14.735 30.330 0.003 1.00 0.00 O ATOM 0 H SER A 78 13.514 26.791 -1.021 1.00 0.00 H new ATOM 0 HA SER A 78 12.280 29.435 -0.885 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.728 28.806 0.952 1.00 0.00 H new ATOM 0 HB3 SER A 78 15.000 28.294 -0.139 1.00 0.00 H new ATOM 0 HG SER A 78 15.388 30.409 0.730 1.00 0.00 H new ATOM 1257 N SER A 79 12.937 30.150 -3.169 1.00 0.00 N ATOM 1258 CA SER A 79 13.362 30.715 -4.444 1.00 0.00 C ATOM 1259 C SER A 79 13.570 32.222 -4.329 1.00 0.00 C ATOM 1260 O SER A 79 14.614 32.747 -4.711 1.00 0.00 O ATOM 1261 CB SER A 79 12.327 30.413 -5.530 1.00 0.00 C ATOM 1262 OG SER A 79 12.924 30.408 -6.815 1.00 0.00 O ATOM 0 H SER A 79 11.985 30.394 -2.896 1.00 0.00 H new ATOM 0 HA SER A 79 14.311 30.255 -4.718 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.864 29.445 -5.337 1.00 0.00 H new ATOM 0 HB3 SER A 79 11.533 31.159 -5.497 1.00 0.00 H new ATOM 0 HG SER A 79 12.243 30.211 -7.491 1.00 0.00 H new ATOM 1268 N GLY A 80 12.565 32.913 -3.797 1.00 0.00 N ATOM 1269 CA GLY A 80 12.656 34.353 -3.641 1.00 0.00 C ATOM 1270 C GLY A 80 11.517 35.083 -4.323 1.00 0.00 C ATOM 1271 O GLY A 80 11.251 34.865 -5.505 1.00 0.00 O ATOM 0 H GLY A 80 11.690 32.501 -3.472 1.00 0.00 H new ATOM 0 HA2 GLY A 80 12.658 34.601 -2.580 1.00 0.00 H new ATOM 0 HA3 GLY A 80 13.604 34.701 -4.052 1.00 0.00 H new TER 1275 GLY A 80