USER MOD reduce.3.24.130724 H: found=0, std=0, add=463, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 460 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.221 X(o=-0.22,f=-0.42) USER MOD Single : A 8 LYS NZ :NH3+ 152:sc= -0.172 (180deg=-1.08) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -135:sc= -0.146 (180deg=-1.14) USER MOD Single : A 24 ASN : amide:sc= -6.96! C(o=-7!,f=-18!) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=-0.0039) USER MOD Single : A 30 HIS : no HD1:sc= -0.0233 X(o=-0.023,f=0) USER MOD Single : A 32 LYS NZ :NH3+ -161:sc= -0.0574 (180deg=-0.485) USER MOD Single : A 38 LYS NZ :NH3+ 130:sc= -1.33 (180deg=-1.78) USER MOD Single : A 43 LYS NZ :NH3+ -160:sc= -0.0234 (180deg=-0.509) USER MOD Single : A 47 LYS NZ :NH3+ 149:sc= -2.13 (180deg=-3.09!) USER MOD Single : A 48 GLN : amide:sc= -1.27 K(o=-1.3,f=-1.9!) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.500 -4.275 14.506 1.00 0.00 N ATOM 2 CA GLY A 1 19.151 -3.886 14.007 1.00 0.00 C ATOM 3 C GLY A 1 18.346 -5.140 13.683 1.00 0.00 C ATOM 4 O GLY A 1 18.051 -5.415 12.520 1.00 0.00 O ATOM 0 H1 GLY A 1 21.048 -3.419 14.727 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.399 -4.853 15.365 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.995 -4.825 13.775 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.631 -3.292 14.759 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.246 -3.263 13.118 1.00 0.00 H new ATOM 10 N SER A 2 17.993 -5.898 14.721 1.00 0.00 N ATOM 11 CA SER A 2 17.219 -7.127 14.554 1.00 0.00 C ATOM 12 C SER A 2 16.002 -7.108 15.469 1.00 0.00 C ATOM 13 O SER A 2 16.008 -6.456 16.513 1.00 0.00 O ATOM 14 CB SER A 2 18.089 -8.339 14.887 1.00 0.00 C ATOM 15 OG SER A 2 19.193 -8.385 13.992 1.00 0.00 O ATOM 0 H SER A 2 18.232 -5.681 15.689 1.00 0.00 H new ATOM 0 HA SER A 2 16.887 -7.194 13.518 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.443 -8.275 15.916 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.503 -9.255 14.807 1.00 0.00 H new ATOM 0 HG SER A 2 19.754 -9.160 14.204 1.00 0.00 H new ATOM 21 N ALA A 3 14.960 -7.827 15.072 1.00 0.00 N ATOM 22 CA ALA A 3 13.742 -7.886 15.867 1.00 0.00 C ATOM 23 C ALA A 3 14.041 -8.458 17.247 1.00 0.00 C ATOM 24 O ALA A 3 13.480 -8.017 18.250 1.00 0.00 O ATOM 25 CB ALA A 3 12.699 -8.758 15.164 1.00 0.00 C ATOM 0 H ALA A 3 14.934 -8.373 14.211 1.00 0.00 H new ATOM 0 HA ALA A 3 13.349 -6.875 15.978 1.00 0.00 H new ATOM 0 HB1 ALA A 3 11.791 -8.796 15.766 1.00 0.00 H new ATOM 0 HB2 ALA A 3 12.469 -8.333 14.187 1.00 0.00 H new ATOM 0 HB3 ALA A 3 13.093 -9.766 15.038 1.00 0.00 H new ATOM 31 N GLY A 4 14.928 -9.446 17.289 1.00 0.00 N ATOM 32 CA GLY A 4 15.299 -10.079 18.550 1.00 0.00 C ATOM 33 C GLY A 4 14.273 -11.135 18.950 1.00 0.00 C ATOM 34 O GLY A 4 14.388 -11.756 20.006 1.00 0.00 O ATOM 0 H GLY A 4 15.402 -9.825 16.469 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.283 -10.539 18.455 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.374 -9.324 19.333 1.00 0.00 H new ATOM 38 N LEU A 5 13.273 -11.338 18.095 1.00 0.00 N ATOM 39 CA LEU A 5 12.235 -12.329 18.371 1.00 0.00 C ATOM 40 C LEU A 5 12.837 -13.730 18.418 1.00 0.00 C ATOM 41 O LEU A 5 12.455 -14.551 19.252 1.00 0.00 O ATOM 42 CB LEU A 5 11.143 -12.276 17.295 1.00 0.00 C ATOM 43 CG LEU A 5 10.311 -10.988 17.425 1.00 0.00 C ATOM 44 CD1 LEU A 5 9.400 -10.860 16.200 1.00 0.00 C ATOM 45 CD2 LEU A 5 9.450 -11.026 18.706 1.00 0.00 C ATOM 0 H LEU A 5 13.159 -10.836 17.215 1.00 0.00 H new ATOM 0 HA LEU A 5 11.792 -12.097 19.340 1.00 0.00 H new ATOM 0 HB2 LEU A 5 11.598 -12.322 16.306 1.00 0.00 H new ATOM 0 HB3 LEU A 5 10.492 -13.146 17.387 1.00 0.00 H new ATOM 0 HG LEU A 5 10.984 -10.132 17.485 1.00 0.00 H new ATOM 0 HD11 LEU A 5 8.806 -9.950 16.282 1.00 0.00 H new ATOM 0 HD12 LEU A 5 10.009 -10.816 15.297 1.00 0.00 H new ATOM 0 HD13 LEU A 5 8.737 -11.723 16.148 1.00 0.00 H new ATOM 0 HD21 LEU A 5 8.869 -10.107 18.781 1.00 0.00 H new ATOM 0 HD22 LEU A 5 8.774 -11.880 18.665 1.00 0.00 H new ATOM 0 HD23 LEU A 5 10.098 -11.117 19.578 1.00 0.00 H new ATOM 57 N GLN A 6 13.780 -13.995 17.520 1.00 0.00 N ATOM 58 CA GLN A 6 14.427 -15.300 17.473 1.00 0.00 C ATOM 59 C GLN A 6 15.205 -15.559 18.760 1.00 0.00 C ATOM 60 O GLN A 6 15.204 -16.674 19.281 1.00 0.00 O ATOM 61 CB GLN A 6 15.380 -15.379 16.272 1.00 0.00 C ATOM 62 CG GLN A 6 14.590 -15.427 14.953 1.00 0.00 C ATOM 63 CD GLN A 6 13.751 -16.699 14.880 1.00 0.00 C ATOM 64 OE1 GLN A 6 14.253 -17.791 15.145 1.00 0.00 O ATOM 65 NE2 GLN A 6 12.495 -16.622 14.534 1.00 0.00 N ATOM 0 H GLN A 6 14.111 -13.330 16.821 1.00 0.00 H new ATOM 0 HA GLN A 6 13.653 -16.060 17.368 1.00 0.00 H new ATOM 0 HB2 GLN A 6 16.045 -14.516 16.272 1.00 0.00 H new ATOM 0 HB3 GLN A 6 16.008 -16.266 16.358 1.00 0.00 H new ATOM 0 HG2 GLN A 6 13.943 -14.553 14.877 1.00 0.00 H new ATOM 0 HG3 GLN A 6 15.278 -15.389 14.108 1.00 0.00 H new ATOM 0 HE21 GLN A 6 12.081 -15.716 14.315 1.00 0.00 H new ATOM 0 HE22 GLN A 6 11.927 -17.468 14.483 1.00 0.00 H new ATOM 74 N GLU A 7 15.867 -14.524 19.266 1.00 0.00 N ATOM 75 CA GLU A 7 16.644 -14.657 20.494 1.00 0.00 C ATOM 76 C GLU A 7 15.719 -14.963 21.669 1.00 0.00 C ATOM 77 O GLU A 7 14.729 -14.266 21.887 1.00 0.00 O ATOM 78 CB GLU A 7 17.418 -13.360 20.759 1.00 0.00 C ATOM 79 CG GLU A 7 18.298 -13.510 22.006 1.00 0.00 C ATOM 80 CD GLU A 7 19.353 -14.588 21.776 1.00 0.00 C ATOM 81 OE1 GLU A 7 19.619 -14.893 20.625 1.00 0.00 O ATOM 82 OE2 GLU A 7 19.881 -15.091 22.754 1.00 0.00 O1- ATOM 0 H GLU A 7 15.882 -13.593 18.850 1.00 0.00 H new ATOM 0 HA GLU A 7 17.351 -15.479 20.381 1.00 0.00 H new ATOM 0 HB2 GLU A 7 18.037 -13.115 19.896 1.00 0.00 H new ATOM 0 HB3 GLU A 7 16.720 -12.534 20.895 1.00 0.00 H new ATOM 0 HG2 GLU A 7 18.781 -12.560 22.236 1.00 0.00 H new ATOM 0 HG3 GLU A 7 17.682 -13.771 22.866 1.00 0.00 H new ATOM 89 N LYS A 8 16.052 -16.007 22.427 1.00 0.00 N ATOM 90 CA LYS A 8 15.246 -16.400 23.587 1.00 0.00 C ATOM 91 C LYS A 8 15.841 -15.824 24.868 1.00 0.00 C ATOM 92 O LYS A 8 15.204 -15.845 25.921 1.00 0.00 O ATOM 93 CB LYS A 8 15.195 -17.929 23.699 1.00 0.00 C ATOM 94 CG LYS A 8 14.610 -18.556 22.421 1.00 0.00 C ATOM 95 CD LYS A 8 13.107 -18.272 22.317 1.00 0.00 C ATOM 96 CE LYS A 8 12.509 -19.132 21.202 1.00 0.00 C ATOM 97 NZ LYS A 8 12.670 -20.573 21.545 1.00 0.00 N1+ ATOM 0 H LYS A 8 16.869 -16.594 22.262 1.00 0.00 H new ATOM 0 HA LYS A 8 14.237 -16.009 23.452 1.00 0.00 H new ATOM 0 HB2 LYS A 8 16.198 -18.318 23.873 1.00 0.00 H new ATOM 0 HB3 LYS A 8 14.589 -18.214 24.559 1.00 0.00 H new ATOM 0 HG2 LYS A 8 15.122 -18.155 21.546 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.782 -19.632 22.426 1.00 0.00 H new ATOM 0 HD2 LYS A 8 12.617 -18.492 23.265 1.00 0.00 H new ATOM 0 HD3 LYS A 8 12.938 -17.216 22.108 1.00 0.00 H new ATOM 0 HE2 LYS A 8 11.453 -18.894 21.071 1.00 0.00 H new ATOM 0 HE3 LYS A 8 13.004 -18.915 20.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 11.908 -21.123 21.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 13.590 -20.912 21.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 12.624 -20.691 22.577 1.00 0.00 H new ATOM 111 N GLU A 9 17.061 -15.307 24.772 1.00 0.00 N ATOM 112 CA GLU A 9 17.725 -14.725 25.937 1.00 0.00 C ATOM 113 C GLU A 9 16.966 -13.496 26.430 1.00 0.00 C ATOM 114 O GLU A 9 16.814 -13.291 27.634 1.00 0.00 O ATOM 115 CB GLU A 9 19.168 -14.344 25.589 1.00 0.00 C ATOM 116 CG GLU A 9 20.018 -15.610 25.433 1.00 0.00 C ATOM 117 CD GLU A 9 21.396 -15.247 24.891 1.00 0.00 C ATOM 118 OE1 GLU A 9 21.551 -14.130 24.423 1.00 0.00 O ATOM 119 OE2 GLU A 9 22.276 -16.090 24.951 1.00 0.00 O1- ATOM 0 H GLU A 9 17.607 -15.278 23.911 1.00 0.00 H new ATOM 0 HA GLU A 9 17.736 -15.470 26.733 1.00 0.00 H new ATOM 0 HB2 GLU A 9 19.188 -13.766 24.665 1.00 0.00 H new ATOM 0 HB3 GLU A 9 19.585 -13.710 26.371 1.00 0.00 H new ATOM 0 HG2 GLU A 9 20.117 -16.113 26.395 1.00 0.00 H new ATOM 0 HG3 GLU A 9 19.525 -16.309 24.757 1.00 0.00 H new ATOM 126 N ARG A 10 16.490 -12.686 25.491 1.00 0.00 N ATOM 127 CA ARG A 10 15.743 -11.481 25.835 1.00 0.00 C ATOM 128 C ARG A 10 16.497 -10.644 26.865 1.00 0.00 C ATOM 129 O ARG A 10 15.921 -9.759 27.498 1.00 0.00 O ATOM 130 CB ARG A 10 14.371 -11.863 26.396 1.00 0.00 C ATOM 131 CG ARG A 10 13.594 -12.661 25.347 1.00 0.00 C ATOM 132 CD ARG A 10 12.256 -13.111 25.936 1.00 0.00 C ATOM 133 NE ARG A 10 11.399 -11.957 26.180 1.00 0.00 N ATOM 134 CZ ARG A 10 10.229 -12.087 26.797 1.00 0.00 C ATOM 135 NH1 ARG A 10 9.479 -11.040 27.003 1.00 0.00 N1+ ATOM 136 NH2 ARG A 10 9.831 -13.264 27.197 1.00 0.00 N ATOM 0 H ARG A 10 16.607 -12.840 24.490 1.00 0.00 H new ATOM 0 HA ARG A 10 15.620 -10.888 24.929 1.00 0.00 H new ATOM 0 HB2 ARG A 10 14.490 -12.455 27.304 1.00 0.00 H new ATOM 0 HB3 ARG A 10 13.816 -10.966 26.670 1.00 0.00 H new ATOM 0 HG2 ARG A 10 13.426 -12.049 24.461 1.00 0.00 H new ATOM 0 HG3 ARG A 10 14.174 -13.528 25.031 1.00 0.00 H new ATOM 0 HD2 ARG A 10 11.763 -13.801 25.251 1.00 0.00 H new ATOM 0 HD3 ARG A 10 12.424 -13.652 26.867 1.00 0.00 H new ATOM 0 HE ARG A 10 11.703 -11.033 25.872 1.00 0.00 H new ATOM 0 HH11 ARG A 10 9.790 -10.120 26.690 1.00 0.00 H new ATOM 0 HH12 ARG A 10 8.581 -11.141 27.477 1.00 0.00 H new ATOM 0 HH21 ARG A 10 10.418 -14.083 27.036 1.00 0.00 H new ATOM 0 HH22 ARG A 10 8.933 -13.365 27.671 1.00 0.00 H new ATOM 150 N GLU A 11 17.786 -10.920 27.023 1.00 0.00 N ATOM 151 CA GLU A 11 18.605 -10.174 27.976 1.00 0.00 C ATOM 152 C GLU A 11 18.736 -8.714 27.552 1.00 0.00 C ATOM 153 O GLU A 11 18.711 -7.811 28.388 1.00 0.00 O ATOM 154 CB GLU A 11 19.995 -10.805 28.100 1.00 0.00 C ATOM 155 CG GLU A 11 19.895 -12.128 28.866 1.00 0.00 C ATOM 156 CD GLU A 11 21.226 -12.871 28.797 1.00 0.00 C ATOM 157 OE1 GLU A 11 22.047 -12.499 27.975 1.00 0.00 O ATOM 158 OE2 GLU A 11 21.404 -13.801 29.566 1.00 0.00 O1- ATOM 0 H GLU A 11 18.285 -11.647 26.510 1.00 0.00 H new ATOM 0 HA GLU A 11 18.110 -10.213 28.946 1.00 0.00 H new ATOM 0 HB2 GLU A 11 20.416 -10.978 27.110 1.00 0.00 H new ATOM 0 HB3 GLU A 11 20.669 -10.124 28.619 1.00 0.00 H new ATOM 0 HG2 GLU A 11 19.629 -11.937 29.906 1.00 0.00 H new ATOM 0 HG3 GLU A 11 19.102 -12.744 28.442 1.00 0.00 H new ATOM 165 N LEU A 12 18.881 -8.492 26.250 1.00 0.00 N ATOM 166 CA LEU A 12 19.022 -7.137 25.728 1.00 0.00 C ATOM 167 C LEU A 12 17.769 -6.317 26.023 1.00 0.00 C ATOM 168 O LEU A 12 17.855 -5.140 26.370 1.00 0.00 O ATOM 169 CB LEU A 12 19.258 -7.180 24.216 1.00 0.00 C ATOM 170 CG LEU A 12 20.641 -7.773 23.911 1.00 0.00 C ATOM 171 CD1 LEU A 12 20.759 -8.015 22.403 1.00 0.00 C ATOM 172 CD2 LEU A 12 21.759 -6.812 24.372 1.00 0.00 C ATOM 0 H LEU A 12 18.904 -9.226 25.542 1.00 0.00 H new ATOM 0 HA LEU A 12 19.876 -6.668 26.216 1.00 0.00 H new ATOM 0 HB2 LEU A 12 18.484 -7.779 23.737 1.00 0.00 H new ATOM 0 HB3 LEU A 12 19.186 -6.175 23.801 1.00 0.00 H new ATOM 0 HG LEU A 12 20.752 -8.714 24.450 1.00 0.00 H new ATOM 0 HD11 LEU A 12 21.739 -8.436 22.178 1.00 0.00 H new ATOM 0 HD12 LEU A 12 19.983 -8.711 22.084 1.00 0.00 H new ATOM 0 HD13 LEU A 12 20.640 -7.070 21.872 1.00 0.00 H new ATOM 0 HD21 LEU A 12 22.731 -7.250 24.147 1.00 0.00 H new ATOM 0 HD22 LEU A 12 21.660 -5.861 23.849 1.00 0.00 H new ATOM 0 HD23 LEU A 12 21.676 -6.646 25.446 1.00 0.00 H new ATOM 184 N GLU A 13 16.607 -6.947 25.889 1.00 0.00 N ATOM 185 CA GLU A 13 15.346 -6.259 26.151 1.00 0.00 C ATOM 186 C GLU A 13 15.258 -5.840 27.615 1.00 0.00 C ATOM 187 O GLU A 13 14.780 -4.751 27.933 1.00 0.00 O ATOM 188 CB GLU A 13 14.159 -7.162 25.801 1.00 0.00 C ATOM 189 CG GLU A 13 14.043 -7.308 24.279 1.00 0.00 C ATOM 190 CD GLU A 13 12.992 -8.359 23.937 1.00 0.00 C ATOM 191 OE1 GLU A 13 12.597 -9.087 24.832 1.00 0.00 O ATOM 192 OE2 GLU A 13 12.599 -8.420 22.784 1.00 0.00 O1- ATOM 0 H GLU A 13 16.511 -7.922 25.604 1.00 0.00 H new ATOM 0 HA GLU A 13 15.311 -5.367 25.525 1.00 0.00 H new ATOM 0 HB2 GLU A 13 14.289 -8.142 26.260 1.00 0.00 H new ATOM 0 HB3 GLU A 13 13.239 -6.740 26.205 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.772 -6.351 23.833 1.00 0.00 H new ATOM 0 HG3 GLU A 13 15.007 -7.594 23.858 1.00 0.00 H new ATOM 199 N ASP A 14 15.723 -6.713 28.503 1.00 0.00 N ATOM 200 CA ASP A 14 15.692 -6.426 29.933 1.00 0.00 C ATOM 201 C ASP A 14 16.532 -5.194 30.255 1.00 0.00 C ATOM 202 O ASP A 14 16.124 -4.341 31.043 1.00 0.00 O ATOM 203 CB ASP A 14 16.223 -7.626 30.717 1.00 0.00 C ATOM 204 CG ASP A 14 16.108 -7.363 32.214 1.00 0.00 C ATOM 205 OD1 ASP A 14 15.780 -6.244 32.576 1.00 0.00 O ATOM 206 OD2 ASP A 14 16.346 -8.284 32.978 1.00 0.00 O1- ATOM 0 H ASP A 14 16.123 -7.619 28.260 1.00 0.00 H new ATOM 0 HA ASP A 14 14.659 -6.230 30.221 1.00 0.00 H new ATOM 0 HB2 ASP A 14 15.660 -8.521 30.452 1.00 0.00 H new ATOM 0 HB3 ASP A 14 17.263 -7.813 30.451 1.00 0.00 H new ATOM 211 N LEU A 15 17.710 -5.110 29.644 1.00 0.00 N ATOM 212 CA LEU A 15 18.603 -3.981 29.878 1.00 0.00 C ATOM 213 C LEU A 15 17.955 -2.677 29.419 1.00 0.00 C ATOM 214 O LEU A 15 18.082 -1.645 30.079 1.00 0.00 O ATOM 215 CB LEU A 15 19.918 -4.188 29.119 1.00 0.00 C ATOM 216 CG LEU A 15 20.713 -5.347 29.740 1.00 0.00 C ATOM 217 CD1 LEU A 15 21.903 -5.679 28.833 1.00 0.00 C ATOM 218 CD2 LEU A 15 21.223 -4.964 31.147 1.00 0.00 C ATOM 0 H LEU A 15 18.066 -5.805 28.988 1.00 0.00 H new ATOM 0 HA LEU A 15 18.803 -3.919 30.948 1.00 0.00 H new ATOM 0 HB2 LEU A 15 19.711 -4.400 28.070 1.00 0.00 H new ATOM 0 HB3 LEU A 15 20.511 -3.274 29.148 1.00 0.00 H new ATOM 0 HG LEU A 15 20.061 -6.216 29.834 1.00 0.00 H new ATOM 0 HD11 LEU A 15 22.473 -6.501 29.267 1.00 0.00 H new ATOM 0 HD12 LEU A 15 21.539 -5.970 27.847 1.00 0.00 H new ATOM 0 HD13 LEU A 15 22.544 -4.803 28.739 1.00 0.00 H new ATOM 0 HD21 LEU A 15 21.784 -5.798 31.570 1.00 0.00 H new ATOM 0 HD22 LEU A 15 21.871 -4.091 31.074 1.00 0.00 H new ATOM 0 HD23 LEU A 15 20.375 -4.733 31.791 1.00 0.00 H new ATOM 230 N LYS A 16 17.262 -2.730 28.286 1.00 0.00 N ATOM 231 CA LYS A 16 16.600 -1.543 27.753 1.00 0.00 C ATOM 232 C LYS A 16 15.534 -1.041 28.721 1.00 0.00 C ATOM 233 O LYS A 16 15.375 0.165 28.913 1.00 0.00 O ATOM 234 CB LYS A 16 15.958 -1.864 26.403 1.00 0.00 C ATOM 235 CG LYS A 16 17.054 -2.082 25.356 1.00 0.00 C ATOM 236 CD LYS A 16 16.413 -2.409 24.006 1.00 0.00 C ATOM 237 CE LYS A 16 17.509 -2.620 22.958 1.00 0.00 C ATOM 238 NZ LYS A 16 16.884 -2.947 21.646 1.00 0.00 N1+ ATOM 0 H LYS A 16 17.144 -3.573 27.724 1.00 0.00 H new ATOM 0 HA LYS A 16 17.349 -0.762 27.621 1.00 0.00 H new ATOM 0 HB2 LYS A 16 15.337 -2.756 26.486 1.00 0.00 H new ATOM 0 HB3 LYS A 16 15.304 -1.048 26.096 1.00 0.00 H new ATOM 0 HG2 LYS A 16 17.672 -1.188 25.270 1.00 0.00 H new ATOM 0 HG3 LYS A 16 17.710 -2.895 25.665 1.00 0.00 H new ATOM 0 HD2 LYS A 16 15.799 -3.305 24.091 1.00 0.00 H new ATOM 0 HD3 LYS A 16 15.753 -1.598 23.699 1.00 0.00 H new ATOM 0 HE2 LYS A 16 18.119 -1.721 22.868 1.00 0.00 H new ATOM 0 HE3 LYS A 16 18.173 -3.427 23.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.628 -3.091 20.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.320 -3.816 21.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.268 -2.163 21.350 1.00 0.00 H new ATOM 252 N ASP A 17 14.806 -1.971 29.330 1.00 0.00 N ATOM 253 CA ASP A 17 13.757 -1.607 30.275 1.00 0.00 C ATOM 254 C ASP A 17 14.344 -0.844 31.459 1.00 0.00 C ATOM 255 O ASP A 17 13.783 0.157 31.905 1.00 0.00 O ATOM 256 CB ASP A 17 13.047 -2.865 30.778 1.00 0.00 C ATOM 257 CG ASP A 17 11.896 -2.481 31.701 1.00 0.00 C ATOM 258 OD1 ASP A 17 11.789 -1.310 32.026 1.00 0.00 O ATOM 259 OD2 ASP A 17 11.138 -3.364 32.070 1.00 0.00 O1- ATOM 0 H ASP A 17 14.922 -2.974 29.188 1.00 0.00 H new ATOM 0 HA ASP A 17 13.040 -0.966 29.763 1.00 0.00 H new ATOM 0 HB2 ASP A 17 12.670 -3.442 29.934 1.00 0.00 H new ATOM 0 HB3 ASP A 17 13.753 -3.503 31.310 1.00 0.00 H new ATOM 264 N ALA A 18 15.474 -1.326 31.964 1.00 0.00 N ATOM 265 CA ALA A 18 16.131 -0.683 33.097 1.00 0.00 C ATOM 266 C ALA A 18 16.537 0.745 32.745 1.00 0.00 C ATOM 267 O ALA A 18 16.419 1.654 33.567 1.00 0.00 O ATOM 268 CB ALA A 18 17.370 -1.482 33.504 1.00 0.00 C ATOM 0 H ALA A 18 15.952 -2.154 31.610 1.00 0.00 H new ATOM 0 HA ALA A 18 15.428 -0.652 33.929 1.00 0.00 H new ATOM 0 HB1 ALA A 18 17.855 -0.996 34.350 1.00 0.00 H new ATOM 0 HB2 ALA A 18 17.075 -2.492 33.787 1.00 0.00 H new ATOM 0 HB3 ALA A 18 18.065 -1.528 32.665 1.00 0.00 H new ATOM 274 N GLU A 19 17.020 0.934 31.521 1.00 0.00 N ATOM 275 CA GLU A 19 17.445 2.255 31.074 1.00 0.00 C ATOM 276 C GLU A 19 16.274 3.233 31.100 1.00 0.00 C ATOM 277 O GLU A 19 16.419 4.377 31.528 1.00 0.00 O ATOM 278 CB GLU A 19 18.014 2.165 29.655 1.00 0.00 C ATOM 279 CG GLU A 19 18.520 3.539 29.209 1.00 0.00 C ATOM 280 CD GLU A 19 19.154 3.438 27.827 1.00 0.00 C ATOM 281 OE1 GLU A 19 19.176 2.344 27.286 1.00 0.00 O ATOM 282 OE2 GLU A 19 19.609 4.454 27.328 1.00 0.00 O1- ATOM 0 H GLU A 19 17.126 0.195 30.826 1.00 0.00 H new ATOM 0 HA GLU A 19 18.217 2.619 31.751 1.00 0.00 H new ATOM 0 HB2 GLU A 19 18.828 1.441 29.625 1.00 0.00 H new ATOM 0 HB3 GLU A 19 17.246 1.810 28.968 1.00 0.00 H new ATOM 0 HG2 GLU A 19 17.694 4.250 29.188 1.00 0.00 H new ATOM 0 HG3 GLU A 19 19.249 3.917 29.926 1.00 0.00 H new ATOM 289 N LEU A 20 15.113 2.773 30.645 1.00 0.00 N ATOM 290 CA LEU A 20 13.923 3.619 30.630 1.00 0.00 C ATOM 291 C LEU A 20 13.496 3.945 32.062 1.00 0.00 C ATOM 292 O LEU A 20 13.085 5.069 32.356 1.00 0.00 O ATOM 293 CB LEU A 20 12.776 2.911 29.872 1.00 0.00 C ATOM 294 CG LEU A 20 12.766 3.331 28.392 1.00 0.00 C ATOM 295 CD1 LEU A 20 14.078 2.924 27.716 1.00 0.00 C ATOM 296 CD2 LEU A 20 11.599 2.643 27.680 1.00 0.00 C ATOM 0 H LEU A 20 14.970 1.829 30.285 1.00 0.00 H new ATOM 0 HA LEU A 20 14.156 4.551 30.114 1.00 0.00 H new ATOM 0 HB2 LEU A 20 12.895 1.830 29.948 1.00 0.00 H new ATOM 0 HB3 LEU A 20 11.820 3.160 30.333 1.00 0.00 H new ATOM 0 HG LEU A 20 12.655 4.414 28.332 1.00 0.00 H new ATOM 0 HD11 LEU A 20 14.057 3.227 26.669 1.00 0.00 H new ATOM 0 HD12 LEU A 20 14.913 3.412 28.219 1.00 0.00 H new ATOM 0 HD13 LEU A 20 14.199 1.843 27.778 1.00 0.00 H new ATOM 0 HD21 LEU A 20 11.588 2.938 26.631 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.716 1.562 27.752 1.00 0.00 H new ATOM 0 HD23 LEU A 20 10.661 2.939 28.150 1.00 0.00 H new ATOM 308 N LYS A 21 13.597 2.959 32.946 1.00 0.00 N ATOM 309 CA LYS A 21 13.219 3.156 34.342 1.00 0.00 C ATOM 310 C LYS A 21 14.080 4.248 34.970 1.00 0.00 C ATOM 311 O LYS A 21 13.579 5.114 35.682 1.00 0.00 O ATOM 312 CB LYS A 21 13.391 1.845 35.116 1.00 0.00 C ATOM 313 CG LYS A 21 12.908 2.027 36.564 1.00 0.00 C ATOM 314 CD LYS A 21 13.106 0.730 37.365 1.00 0.00 C ATOM 315 CE LYS A 21 11.989 -0.274 37.051 1.00 0.00 C ATOM 316 NZ LYS A 21 10.670 0.324 37.403 1.00 0.00 N1+ ATOM 0 H LYS A 21 13.934 2.022 32.725 1.00 0.00 H new ATOM 0 HA LYS A 21 12.174 3.463 34.386 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.825 1.049 34.632 1.00 0.00 H new ATOM 0 HB3 LYS A 21 14.438 1.542 35.108 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.457 2.841 37.037 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.855 2.308 36.570 1.00 0.00 H new ATOM 0 HD2 LYS A 21 14.075 0.292 37.124 1.00 0.00 H new ATOM 0 HD3 LYS A 21 13.113 0.953 38.432 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.010 -0.539 35.994 1.00 0.00 H new ATOM 0 HE3 LYS A 21 12.144 -1.195 37.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.098 -0.376 37.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.817 1.160 38.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.173 0.606 36.534 1.00 0.00 H new ATOM 330 N ARG A 22 15.377 4.200 34.698 1.00 0.00 N ATOM 331 CA ARG A 22 16.304 5.189 35.237 1.00 0.00 C ATOM 332 C ARG A 22 15.968 6.588 34.721 1.00 0.00 C ATOM 333 O ARG A 22 16.073 7.574 35.450 1.00 0.00 O ATOM 334 CB ARG A 22 17.738 4.827 34.844 1.00 0.00 C ATOM 335 CG ARG A 22 18.710 5.837 35.458 1.00 0.00 C ATOM 336 CD ARG A 22 20.147 5.387 35.192 1.00 0.00 C ATOM 337 NE ARG A 22 20.418 5.384 33.759 1.00 0.00 N ATOM 338 CZ ARG A 22 21.551 4.884 33.276 1.00 0.00 C ATOM 339 NH1 ARG A 22 21.771 4.892 31.990 1.00 0.00 N1+ ATOM 340 NH2 ARG A 22 22.442 4.383 34.087 1.00 0.00 N ATOM 0 H ARG A 22 15.811 3.489 34.109 1.00 0.00 H new ATOM 0 HA ARG A 22 16.212 5.188 36.323 1.00 0.00 H new ATOM 0 HB2 ARG A 22 17.977 3.821 35.189 1.00 0.00 H new ATOM 0 HB3 ARG A 22 17.838 4.824 33.759 1.00 0.00 H new ATOM 0 HG2 ARG A 22 18.542 6.826 35.031 1.00 0.00 H new ATOM 0 HG3 ARG A 22 18.536 5.920 36.531 1.00 0.00 H new ATOM 0 HD2 ARG A 22 20.844 6.054 35.700 1.00 0.00 H new ATOM 0 HD3 ARG A 22 20.305 4.389 35.601 1.00 0.00 H new ATOM 0 HE ARG A 22 19.727 5.772 33.117 1.00 0.00 H new ATOM 0 HH11 ARG A 22 21.074 5.282 31.356 1.00 0.00 H new ATOM 0 HH12 ARG A 22 22.640 4.508 31.619 1.00 0.00 H new ATOM 0 HH21 ARG A 22 22.269 4.375 35.092 1.00 0.00 H new ATOM 0 HH22 ARG A 22 23.311 3.999 33.716 1.00 0.00 H new ATOM 354 N LEU A 23 15.590 6.662 33.449 1.00 0.00 N ATOM 355 CA LEU A 23 15.266 7.938 32.814 1.00 0.00 C ATOM 356 C LEU A 23 14.108 8.650 33.516 1.00 0.00 C ATOM 357 O LEU A 23 14.132 9.871 33.674 1.00 0.00 O ATOM 358 CB LEU A 23 14.912 7.696 31.340 1.00 0.00 C ATOM 359 CG LEU A 23 14.568 9.018 30.635 1.00 0.00 C ATOM 360 CD1 LEU A 23 15.767 9.980 30.690 1.00 0.00 C ATOM 361 CD2 LEU A 23 14.218 8.720 29.172 1.00 0.00 C ATOM 0 H LEU A 23 15.500 5.852 32.835 1.00 0.00 H new ATOM 0 HA LEU A 23 16.141 8.584 32.890 1.00 0.00 H new ATOM 0 HB2 LEU A 23 15.750 7.217 30.834 1.00 0.00 H new ATOM 0 HB3 LEU A 23 14.066 7.012 31.272 1.00 0.00 H new ATOM 0 HG LEU A 23 13.721 9.486 31.137 1.00 0.00 H new ATOM 0 HD11 LEU A 23 15.509 10.912 30.187 1.00 0.00 H new ATOM 0 HD12 LEU A 23 16.020 10.187 31.730 1.00 0.00 H new ATOM 0 HD13 LEU A 23 16.623 9.524 30.192 1.00 0.00 H new ATOM 0 HD21 LEU A 23 13.972 9.650 28.660 1.00 0.00 H new ATOM 0 HD22 LEU A 23 15.071 8.251 28.682 1.00 0.00 H new ATOM 0 HD23 LEU A 23 13.362 8.047 29.133 1.00 0.00 H new ATOM 373 N ASN A 24 13.083 7.900 33.911 1.00 0.00 N ATOM 374 CA ASN A 24 11.923 8.508 34.562 1.00 0.00 C ATOM 375 C ASN A 24 12.331 9.255 35.830 1.00 0.00 C ATOM 376 O ASN A 24 11.566 10.066 36.352 1.00 0.00 O ATOM 377 CB ASN A 24 10.876 7.440 34.901 1.00 0.00 C ATOM 378 CG ASN A 24 11.388 6.500 35.990 1.00 0.00 C ATOM 379 OD1 ASN A 24 12.340 6.821 36.699 1.00 0.00 O ATOM 380 ND2 ASN A 24 10.805 5.345 36.166 1.00 0.00 N ATOM 0 H ASN A 24 13.029 6.888 33.795 1.00 0.00 H new ATOM 0 HA ASN A 24 11.489 9.225 33.865 1.00 0.00 H new ATOM 0 HB2 ASN A 24 9.955 7.920 35.233 1.00 0.00 H new ATOM 0 HB3 ASN A 24 10.632 6.867 34.006 1.00 0.00 H new ATOM 0 HD21 ASN A 24 11.139 4.710 36.891 1.00 0.00 H new ATOM 0 HD22 ASN A 24 10.015 5.078 35.579 1.00 0.00 H new ATOM 387 N GLU A 25 13.540 8.980 36.324 1.00 0.00 N ATOM 388 CA GLU A 25 14.038 9.638 37.537 1.00 0.00 C ATOM 389 C GLU A 25 15.519 10.001 37.377 1.00 0.00 C ATOM 390 O GLU A 25 16.104 9.770 36.319 1.00 0.00 O ATOM 391 CB GLU A 25 13.858 8.715 38.747 1.00 0.00 C ATOM 392 CG GLU A 25 14.719 7.459 38.577 1.00 0.00 C ATOM 393 CD GLU A 25 14.436 6.479 39.711 1.00 0.00 C ATOM 394 OE1 GLU A 25 13.608 6.797 40.549 1.00 0.00 O ATOM 395 OE2 GLU A 25 15.050 5.424 39.724 1.00 0.00 O1- ATOM 0 H GLU A 25 14.189 8.312 35.908 1.00 0.00 H new ATOM 0 HA GLU A 25 13.466 10.552 37.696 1.00 0.00 H new ATOM 0 HB2 GLU A 25 14.140 9.239 39.660 1.00 0.00 H new ATOM 0 HB3 GLU A 25 12.809 8.436 38.850 1.00 0.00 H new ATOM 0 HG2 GLU A 25 14.507 6.989 37.617 1.00 0.00 H new ATOM 0 HG3 GLU A 25 15.775 7.729 38.573 1.00 0.00 H new ATOM 402 N GLU A 26 16.126 10.573 38.423 1.00 0.00 N ATOM 403 CA GLU A 26 17.533 10.952 38.355 1.00 0.00 C ATOM 404 C GLU A 26 17.798 11.765 37.087 1.00 0.00 C ATOM 405 O GLU A 26 18.890 11.713 36.522 1.00 0.00 O ATOM 406 CB GLU A 26 18.412 9.692 38.360 1.00 0.00 C ATOM 407 CG GLU A 26 18.558 9.163 39.791 1.00 0.00 C ATOM 408 CD GLU A 26 19.431 10.106 40.612 1.00 0.00 C ATOM 409 OE1 GLU A 26 18.882 11.002 41.232 1.00 0.00 O ATOM 410 OE2 GLU A 26 20.637 9.919 40.608 1.00 0.00 O1- ATOM 0 H GLU A 26 15.670 10.779 39.312 1.00 0.00 H new ATOM 0 HA GLU A 26 17.777 11.563 39.224 1.00 0.00 H new ATOM 0 HB2 GLU A 26 17.969 8.926 37.723 1.00 0.00 H new ATOM 0 HB3 GLU A 26 19.394 9.921 37.946 1.00 0.00 H new ATOM 0 HG2 GLU A 26 17.576 9.069 40.254 1.00 0.00 H new ATOM 0 HG3 GLU A 26 19.000 8.167 39.775 1.00 0.00 H new ATOM 417 N ARG A 27 16.791 12.514 36.645 1.00 0.00 N ATOM 418 CA ARG A 27 16.929 13.331 35.444 1.00 0.00 C ATOM 419 C ARG A 27 17.970 14.429 35.650 1.00 0.00 C ATOM 420 O ARG A 27 18.547 14.936 34.688 1.00 0.00 O ATOM 421 CB ARG A 27 15.576 13.951 35.077 1.00 0.00 C ATOM 422 CG ARG A 27 15.097 14.877 36.201 1.00 0.00 C ATOM 423 CD ARG A 27 13.756 15.498 35.812 1.00 0.00 C ATOM 424 NE ARG A 27 13.927 16.392 34.671 1.00 0.00 N ATOM 425 CZ ARG A 27 12.880 16.960 34.082 1.00 0.00 C ATOM 426 NH1 ARG A 27 13.058 17.758 33.064 1.00 0.00 N1+ ATOM 427 NH2 ARG A 27 11.674 16.721 34.520 1.00 0.00 N ATOM 0 H ARG A 27 15.878 12.572 37.096 1.00 0.00 H new ATOM 0 HA ARG A 27 17.265 12.691 34.628 1.00 0.00 H new ATOM 0 HB2 ARG A 27 15.665 14.512 34.147 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.841 13.164 34.906 1.00 0.00 H new ATOM 0 HG2 ARG A 27 14.994 14.316 37.130 1.00 0.00 H new ATOM 0 HG3 ARG A 27 15.834 15.660 36.381 1.00 0.00 H new ATOM 0 HD2 ARG A 27 13.042 14.713 35.564 1.00 0.00 H new ATOM 0 HD3 ARG A 27 13.344 16.049 36.657 1.00 0.00 H new ATOM 0 HE ARG A 27 14.865 16.584 34.320 1.00 0.00 H new ATOM 0 HH11 ARG A 27 14.000 17.945 32.721 1.00 0.00 H new ATOM 0 HH12 ARG A 27 12.255 18.194 32.611 1.00 0.00 H new ATOM 0 HH21 ARG A 27 11.534 16.098 35.315 1.00 0.00 H new ATOM 0 HH22 ARG A 27 10.871 17.158 34.067 1.00 0.00 H new ATOM 441 N HIS A 28 18.202 14.789 36.907 1.00 0.00 N ATOM 442 CA HIS A 28 19.174 15.830 37.224 1.00 0.00 C ATOM 443 C HIS A 28 20.577 15.404 36.802 1.00 0.00 C ATOM 444 O HIS A 28 21.355 16.211 36.293 1.00 0.00 O ATOM 445 CB HIS A 28 19.157 16.119 38.726 1.00 0.00 C ATOM 446 CG HIS A 28 17.854 16.771 39.097 1.00 0.00 C ATOM 447 ND1 HIS A 28 17.567 18.088 38.773 1.00 0.00 N ATOM 448 CD2 HIS A 28 16.750 16.302 39.766 1.00 0.00 C ATOM 449 CE1 HIS A 28 16.337 18.364 39.242 1.00 0.00 C ATOM 450 NE2 HIS A 28 15.794 17.308 39.857 1.00 0.00 N ATOM 0 H HIS A 28 17.736 14.380 37.717 1.00 0.00 H new ATOM 0 HA HIS A 28 18.902 16.732 36.676 1.00 0.00 H new ATOM 0 HB2 HIS A 28 19.285 15.193 39.287 1.00 0.00 H new ATOM 0 HB3 HIS A 28 19.990 16.770 38.991 1.00 0.00 H new ATOM 0 HD2 HIS A 28 16.641 15.303 40.162 1.00 0.00 H new ATOM 0 HE1 HIS A 28 15.848 19.321 39.135 1.00 0.00 H new ATOM 0 HE2 HIS A 28 14.876 17.252 40.298 1.00 0.00 H new ATOM 458 N ASP A 29 20.897 14.133 37.020 1.00 0.00 N ATOM 459 CA ASP A 29 22.211 13.613 36.660 1.00 0.00 C ATOM 460 C ASP A 29 22.442 13.727 35.156 1.00 0.00 C ATOM 461 O ASP A 29 23.541 14.056 34.711 1.00 0.00 O ATOM 462 CB ASP A 29 22.327 12.148 37.086 1.00 0.00 C ATOM 463 CG ASP A 29 22.424 12.053 38.605 1.00 0.00 C ATOM 464 OD1 ASP A 29 22.647 13.076 39.231 1.00 0.00 O ATOM 465 OD2 ASP A 29 22.272 10.957 39.121 1.00 0.00 O1- ATOM 0 H ASP A 29 20.269 13.448 37.441 1.00 0.00 H new ATOM 0 HA ASP A 29 22.967 14.204 37.177 1.00 0.00 H new ATOM 0 HB2 ASP A 29 21.461 11.588 36.733 1.00 0.00 H new ATOM 0 HB3 ASP A 29 23.207 11.696 36.628 1.00 0.00 H new ATOM 470 N HIS A 30 21.400 13.451 34.378 1.00 0.00 N ATOM 471 CA HIS A 30 21.504 13.524 32.925 1.00 0.00 C ATOM 472 C HIS A 30 21.792 14.954 32.478 1.00 0.00 C ATOM 473 O HIS A 30 22.575 15.179 31.555 1.00 0.00 O ATOM 474 CB HIS A 30 20.199 13.044 32.282 1.00 0.00 C ATOM 475 CG HIS A 30 20.051 11.556 32.469 1.00 0.00 C ATOM 476 ND1 HIS A 30 18.922 10.873 32.044 1.00 0.00 N ATOM 477 CD2 HIS A 30 20.870 10.607 33.033 1.00 0.00 C ATOM 478 CE1 HIS A 30 19.088 9.575 32.355 1.00 0.00 C ATOM 479 NE2 HIS A 30 20.260 9.358 32.959 1.00 0.00 N ATOM 0 H HIS A 30 20.481 13.177 34.726 1.00 0.00 H new ATOM 0 HA HIS A 30 22.326 12.882 32.608 1.00 0.00 H new ATOM 0 HB2 HIS A 30 19.351 13.562 32.730 1.00 0.00 H new ATOM 0 HB3 HIS A 30 20.196 13.288 31.220 1.00 0.00 H new ATOM 0 HD2 HIS A 30 21.840 10.801 33.468 1.00 0.00 H new ATOM 0 HE1 HIS A 30 18.363 8.803 32.143 1.00 0.00 H new ATOM 0 HE2 HIS A 30 20.629 8.468 33.294 1.00 0.00 H new ATOM 487 N ASP A 31 21.154 15.915 33.136 1.00 0.00 N ATOM 488 CA ASP A 31 21.349 17.321 32.794 1.00 0.00 C ATOM 489 C ASP A 31 22.806 17.726 32.987 1.00 0.00 C ATOM 490 O ASP A 31 23.384 18.419 32.149 1.00 0.00 O ATOM 491 CB ASP A 31 20.453 18.200 33.669 1.00 0.00 C ATOM 492 CG ASP A 31 20.591 19.660 33.253 1.00 0.00 C ATOM 493 OD1 ASP A 31 21.456 19.946 32.442 1.00 0.00 O ATOM 494 OD2 ASP A 31 19.827 20.471 33.752 1.00 0.00 O1- ATOM 0 H ASP A 31 20.502 15.750 33.903 1.00 0.00 H new ATOM 0 HA ASP A 31 21.083 17.459 31.746 1.00 0.00 H new ATOM 0 HB2 ASP A 31 19.414 17.883 33.575 1.00 0.00 H new ATOM 0 HB3 ASP A 31 20.728 18.084 34.717 1.00 0.00 H new ATOM 499 N LYS A 32 23.396 17.287 34.094 1.00 0.00 N ATOM 500 CA LYS A 32 24.792 17.611 34.381 1.00 0.00 C ATOM 501 C LYS A 32 25.713 17.013 33.321 1.00 0.00 C ATOM 502 O LYS A 32 26.684 17.643 32.904 1.00 0.00 O ATOM 503 CB LYS A 32 25.192 17.087 35.765 1.00 0.00 C ATOM 504 CG LYS A 32 24.506 17.916 36.857 1.00 0.00 C ATOM 505 CD LYS A 32 24.917 17.385 38.232 1.00 0.00 C ATOM 506 CE LYS A 32 24.219 18.198 39.323 1.00 0.00 C ATOM 507 NZ LYS A 32 24.666 19.617 39.248 1.00 0.00 N1+ ATOM 0 H LYS A 32 22.937 16.712 34.801 1.00 0.00 H new ATOM 0 HA LYS A 32 24.895 18.696 34.367 1.00 0.00 H new ATOM 0 HB2 LYS A 32 24.910 16.039 35.862 1.00 0.00 H new ATOM 0 HB3 LYS A 32 26.274 17.138 35.884 1.00 0.00 H new ATOM 0 HG2 LYS A 32 24.785 18.965 36.762 1.00 0.00 H new ATOM 0 HG3 LYS A 32 23.423 17.863 36.743 1.00 0.00 H new ATOM 0 HD2 LYS A 32 24.650 16.332 38.321 1.00 0.00 H new ATOM 0 HD3 LYS A 32 25.999 17.451 38.350 1.00 0.00 H new ATOM 0 HE2 LYS A 32 23.138 18.139 39.199 1.00 0.00 H new ATOM 0 HE3 LYS A 32 24.451 17.784 40.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 24.462 20.093 40.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 25.689 19.649 39.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 24.159 20.100 38.479 1.00 0.00 H new ATOM 521 N ARG A 33 25.402 15.795 32.890 1.00 0.00 N ATOM 522 CA ARG A 33 26.212 15.123 31.880 1.00 0.00 C ATOM 523 C ARG A 33 26.226 15.927 30.583 1.00 0.00 C ATOM 524 O ARG A 33 27.271 16.088 29.953 1.00 0.00 O ATOM 525 CB ARG A 33 25.656 13.723 31.611 1.00 0.00 C ATOM 526 CG ARG A 33 26.536 13.007 30.584 1.00 0.00 C ATOM 527 CD ARG A 33 26.063 11.562 30.423 1.00 0.00 C ATOM 528 NE ARG A 33 26.861 10.880 29.410 1.00 0.00 N ATOM 529 CZ ARG A 33 28.057 10.377 29.700 1.00 0.00 C ATOM 530 NH1 ARG A 33 28.751 9.771 28.775 1.00 0.00 N1+ ATOM 531 NH2 ARG A 33 28.537 10.489 30.907 1.00 0.00 N ATOM 0 H ARG A 33 24.602 15.256 33.221 1.00 0.00 H new ATOM 0 HA ARG A 33 27.233 15.042 32.254 1.00 0.00 H new ATOM 0 HB2 ARG A 33 25.623 13.150 32.538 1.00 0.00 H new ATOM 0 HB3 ARG A 33 24.633 13.792 31.242 1.00 0.00 H new ATOM 0 HG2 ARG A 33 26.489 13.525 29.626 1.00 0.00 H new ATOM 0 HG3 ARG A 33 27.577 13.026 30.906 1.00 0.00 H new ATOM 0 HD2 ARG A 33 26.145 11.037 31.375 1.00 0.00 H new ATOM 0 HD3 ARG A 33 25.011 11.546 30.139 1.00 0.00 H new ATOM 0 HE ARG A 33 26.495 10.787 28.462 1.00 0.00 H new ATOM 0 HH11 ARG A 33 28.376 9.684 27.831 1.00 0.00 H new ATOM 0 HH12 ARG A 33 29.669 9.385 28.997 1.00 0.00 H new ATOM 0 HH21 ARG A 33 27.995 10.963 31.630 1.00 0.00 H new ATOM 0 HH22 ARG A 33 29.455 10.103 31.129 1.00 0.00 H new ATOM 545 N GLU A 34 25.060 16.428 30.190 1.00 0.00 N ATOM 546 CA GLU A 34 24.949 17.212 28.965 1.00 0.00 C ATOM 547 C GLU A 34 25.813 18.467 29.061 1.00 0.00 C ATOM 548 O GLU A 34 26.491 18.839 28.104 1.00 0.00 O ATOM 549 CB GLU A 34 23.482 17.599 28.730 1.00 0.00 C ATOM 550 CG GLU A 34 23.342 18.396 27.427 1.00 0.00 C ATOM 551 CD GLU A 34 23.763 17.539 26.238 1.00 0.00 C ATOM 552 OE1 GLU A 34 23.759 16.326 26.374 1.00 0.00 O ATOM 553 OE2 GLU A 34 24.082 18.108 25.207 1.00 0.00 O1- ATOM 0 H GLU A 34 24.184 16.307 30.698 1.00 0.00 H new ATOM 0 HA GLU A 34 25.300 16.611 28.126 1.00 0.00 H new ATOM 0 HB2 GLU A 34 22.865 16.701 28.683 1.00 0.00 H new ATOM 0 HB3 GLU A 34 23.117 18.193 29.568 1.00 0.00 H new ATOM 0 HG2 GLU A 34 22.310 18.723 27.301 1.00 0.00 H new ATOM 0 HG3 GLU A 34 23.958 19.294 27.473 1.00 0.00 H new ATOM 560 N ALA A 35 25.783 19.113 30.221 1.00 0.00 N ATOM 561 CA ALA A 35 26.567 20.325 30.431 1.00 0.00 C ATOM 562 C ALA A 35 28.057 20.034 30.275 1.00 0.00 C ATOM 563 O ALA A 35 28.800 20.837 29.711 1.00 0.00 O ATOM 564 CB ALA A 35 26.299 20.884 31.830 1.00 0.00 C ATOM 0 H ALA A 35 25.228 18.821 31.026 1.00 0.00 H new ATOM 0 HA ALA A 35 26.272 21.060 29.683 1.00 0.00 H new ATOM 0 HB1 ALA A 35 26.888 21.789 31.979 1.00 0.00 H new ATOM 0 HB2 ALA A 35 25.240 21.120 31.931 1.00 0.00 H new ATOM 0 HB3 ALA A 35 26.578 20.142 32.578 1.00 0.00 H new ATOM 570 N GLU A 36 28.484 18.883 30.780 1.00 0.00 N ATOM 571 CA GLU A 36 29.887 18.492 30.696 1.00 0.00 C ATOM 572 C GLU A 36 30.322 18.346 29.240 1.00 0.00 C ATOM 573 O GLU A 36 31.440 18.712 28.878 1.00 0.00 O ATOM 574 CB GLU A 36 30.105 17.168 31.430 1.00 0.00 C ATOM 575 CG GLU A 36 29.962 17.389 32.936 1.00 0.00 C ATOM 576 CD GLU A 36 30.007 16.051 33.666 1.00 0.00 C ATOM 577 OE1 GLU A 36 29.923 15.032 33.000 1.00 0.00 O ATOM 578 OE2 GLU A 36 30.125 16.064 34.880 1.00 0.00 O1- ATOM 0 H GLU A 36 27.883 18.206 31.250 1.00 0.00 H new ATOM 0 HA GLU A 36 30.488 19.272 31.164 1.00 0.00 H new ATOM 0 HB2 GLU A 36 29.380 16.428 31.090 1.00 0.00 H new ATOM 0 HB3 GLU A 36 31.095 16.773 31.202 1.00 0.00 H new ATOM 0 HG2 GLU A 36 30.763 18.035 33.295 1.00 0.00 H new ATOM 0 HG3 GLU A 36 29.022 17.898 33.150 1.00 0.00 H new ATOM 585 N ARG A 37 29.437 17.803 28.412 1.00 0.00 N ATOM 586 CA ARG A 37 29.746 17.606 26.999 1.00 0.00 C ATOM 587 C ARG A 37 30.063 18.940 26.328 1.00 0.00 C ATOM 588 O ARG A 37 31.014 19.042 25.552 1.00 0.00 O ATOM 589 CB ARG A 37 28.561 16.941 26.294 1.00 0.00 C ATOM 590 CG ARG A 37 28.913 16.677 24.827 1.00 0.00 C ATOM 591 CD ARG A 37 27.756 15.941 24.149 1.00 0.00 C ATOM 592 NE ARG A 37 28.079 15.670 22.753 1.00 0.00 N ATOM 593 CZ ARG A 37 27.899 16.593 21.812 1.00 0.00 C ATOM 594 NH1 ARG A 37 28.195 16.325 20.570 1.00 0.00 N1+ ATOM 595 NH2 ARG A 37 27.425 17.766 22.132 1.00 0.00 N ATOM 0 H ARG A 37 28.506 17.493 28.691 1.00 0.00 H new ATOM 0 HA ARG A 37 30.621 16.960 26.923 1.00 0.00 H new ATOM 0 HB2 ARG A 37 28.309 16.004 26.791 1.00 0.00 H new ATOM 0 HB3 ARG A 37 27.682 17.582 26.357 1.00 0.00 H new ATOM 0 HG2 ARG A 37 29.109 17.618 24.314 1.00 0.00 H new ATOM 0 HG3 ARG A 37 29.824 16.082 24.762 1.00 0.00 H new ATOM 0 HD2 ARG A 37 27.555 15.006 24.671 1.00 0.00 H new ATOM 0 HD3 ARG A 37 26.848 16.541 24.210 1.00 0.00 H new ATOM 0 HE ARG A 37 28.450 14.756 22.493 1.00 0.00 H new ATOM 0 HH11 ARG A 37 28.564 15.408 20.320 1.00 0.00 H new ATOM 0 HH12 ARG A 37 28.057 17.033 19.849 1.00 0.00 H new ATOM 0 HH21 ARG A 37 27.193 17.975 23.103 1.00 0.00 H new ATOM 0 HH22 ARG A 37 27.287 18.474 21.411 1.00 0.00 H new ATOM 609 N LYS A 38 29.265 19.959 26.629 1.00 0.00 N ATOM 610 CA LYS A 38 29.479 21.278 26.043 1.00 0.00 C ATOM 611 C LYS A 38 30.839 21.836 26.449 1.00 0.00 C ATOM 612 O LYS A 38 31.528 22.459 25.642 1.00 0.00 O ATOM 613 CB LYS A 38 28.375 22.238 26.493 1.00 0.00 C ATOM 614 CG LYS A 38 27.054 21.847 25.829 1.00 0.00 C ATOM 615 CD LYS A 38 25.954 22.815 26.272 1.00 0.00 C ATOM 616 CE LYS A 38 24.652 22.476 25.544 1.00 0.00 C ATOM 617 NZ LYS A 38 24.214 21.103 25.921 1.00 0.00 N1+ ATOM 0 H LYS A 38 28.472 19.899 27.268 1.00 0.00 H new ATOM 0 HA LYS A 38 29.452 21.178 24.958 1.00 0.00 H new ATOM 0 HB2 LYS A 38 28.272 22.207 27.578 1.00 0.00 H new ATOM 0 HB3 LYS A 38 28.638 23.262 26.227 1.00 0.00 H new ATOM 0 HG2 LYS A 38 27.159 21.871 24.744 1.00 0.00 H new ATOM 0 HG3 LYS A 38 26.786 20.826 26.101 1.00 0.00 H new ATOM 0 HD2 LYS A 38 25.808 22.748 27.350 1.00 0.00 H new ATOM 0 HD3 LYS A 38 26.249 23.841 26.054 1.00 0.00 H new ATOM 0 HE2 LYS A 38 23.879 23.200 25.803 1.00 0.00 H new ATOM 0 HE3 LYS A 38 24.799 22.539 24.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 23.214 21.124 26.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 24.328 20.466 25.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 24.794 20.759 26.713 1.00 0.00 H new ATOM 631 N ALA A 39 31.219 21.612 27.702 1.00 0.00 N ATOM 632 CA ALA A 39 32.500 22.103 28.198 1.00 0.00 C ATOM 633 C ALA A 39 33.652 21.493 27.406 1.00 0.00 C ATOM 634 O ALA A 39 34.620 22.178 27.073 1.00 0.00 O ATOM 635 CB ALA A 39 32.656 21.754 29.679 1.00 0.00 C ATOM 0 H ALA A 39 30.665 21.099 28.387 1.00 0.00 H new ATOM 0 HA ALA A 39 32.523 23.186 28.076 1.00 0.00 H new ATOM 0 HB1 ALA A 39 33.615 22.124 30.041 1.00 0.00 H new ATOM 0 HB2 ALA A 39 31.850 22.217 30.249 1.00 0.00 H new ATOM 0 HB3 ALA A 39 32.614 20.672 29.804 1.00 0.00 H new ATOM 641 N LEU A 40 33.538 20.205 27.099 1.00 0.00 N ATOM 642 CA LEU A 40 34.575 19.518 26.336 1.00 0.00 C ATOM 643 C LEU A 40 34.590 20.032 24.895 1.00 0.00 C ATOM 644 O LEU A 40 35.653 20.203 24.297 1.00 0.00 O ATOM 645 CB LEU A 40 34.330 17.991 26.362 1.00 0.00 C ATOM 646 CG LEU A 40 35.103 17.338 27.520 1.00 0.00 C ATOM 647 CD1 LEU A 40 34.619 17.899 28.858 1.00 0.00 C ATOM 648 CD2 LEU A 40 34.874 15.827 27.493 1.00 0.00 C ATOM 0 H LEU A 40 32.746 19.620 27.364 1.00 0.00 H new ATOM 0 HA LEU A 40 35.545 19.722 26.790 1.00 0.00 H new ATOM 0 HB2 LEU A 40 33.264 17.790 26.470 1.00 0.00 H new ATOM 0 HB3 LEU A 40 34.643 17.551 25.415 1.00 0.00 H new ATOM 0 HG LEU A 40 36.165 17.554 27.406 1.00 0.00 H new ATOM 0 HD11 LEU A 40 35.173 17.430 29.671 1.00 0.00 H new ATOM 0 HD12 LEU A 40 34.783 18.976 28.882 1.00 0.00 H new ATOM 0 HD13 LEU A 40 33.556 17.691 28.976 1.00 0.00 H new ATOM 0 HD21 LEU A 40 35.421 15.361 28.313 1.00 0.00 H new ATOM 0 HD22 LEU A 40 33.810 15.618 27.602 1.00 0.00 H new ATOM 0 HD23 LEU A 40 35.228 15.422 26.545 1.00 0.00 H new ATOM 660 N GLU A 41 33.403 20.274 24.347 1.00 0.00 N ATOM 661 CA GLU A 41 33.290 20.766 22.979 1.00 0.00 C ATOM 662 C GLU A 41 33.968 22.125 22.841 1.00 0.00 C ATOM 663 O GLU A 41 34.661 22.387 21.858 1.00 0.00 O ATOM 664 CB GLU A 41 31.813 20.882 22.590 1.00 0.00 C ATOM 665 CG GLU A 41 31.693 21.337 21.133 1.00 0.00 C ATOM 666 CD GLU A 41 30.226 21.383 20.721 1.00 0.00 C ATOM 667 OE1 GLU A 41 29.388 21.073 21.552 1.00 0.00 O ATOM 668 OE2 GLU A 41 29.961 21.726 19.581 1.00 0.00 O1- ATOM 0 H GLU A 41 32.512 20.139 24.825 1.00 0.00 H new ATOM 0 HA GLU A 41 33.786 20.060 22.313 1.00 0.00 H new ATOM 0 HB2 GLU A 41 31.316 19.921 22.722 1.00 0.00 H new ATOM 0 HB3 GLU A 41 31.310 21.593 23.245 1.00 0.00 H new ATOM 0 HG2 GLU A 41 32.144 22.322 21.012 1.00 0.00 H new ATOM 0 HG3 GLU A 41 32.241 20.654 20.484 1.00 0.00 H new ATOM 675 N ASP A 42 33.764 22.988 23.832 1.00 0.00 N ATOM 676 CA ASP A 42 34.362 24.318 23.808 1.00 0.00 C ATOM 677 C ASP A 42 35.884 24.221 23.791 1.00 0.00 C ATOM 678 O ASP A 42 36.556 24.985 23.098 1.00 0.00 O ATOM 679 CB ASP A 42 33.913 25.113 25.036 1.00 0.00 C ATOM 680 CG ASP A 42 32.443 25.494 24.903 1.00 0.00 C ATOM 681 OD1 ASP A 42 31.914 25.362 23.811 1.00 0.00 O ATOM 682 OD2 ASP A 42 31.867 25.912 25.894 1.00 0.00 O1- ATOM 0 H ASP A 42 33.194 22.792 24.655 1.00 0.00 H new ATOM 0 HA ASP A 42 34.032 24.829 22.903 1.00 0.00 H new ATOM 0 HB2 ASP A 42 34.063 24.520 25.938 1.00 0.00 H new ATOM 0 HB3 ASP A 42 34.522 26.011 25.140 1.00 0.00 H new ATOM 687 N LYS A 43 36.421 23.277 24.556 1.00 0.00 N ATOM 688 CA LYS A 43 37.865 23.089 24.622 1.00 0.00 C ATOM 689 C LYS A 43 38.417 22.738 23.243 1.00 0.00 C ATOM 690 O LYS A 43 39.446 23.266 22.822 1.00 0.00 O ATOM 691 CB LYS A 43 38.198 21.971 25.615 1.00 0.00 C ATOM 692 CG LYS A 43 39.717 21.795 25.715 1.00 0.00 C ATOM 693 CD LYS A 43 40.036 20.715 26.751 1.00 0.00 C ATOM 694 CE LYS A 43 41.552 20.548 26.866 1.00 0.00 C ATOM 695 NZ LYS A 43 42.099 20.064 25.567 1.00 0.00 N1+ ATOM 0 H LYS A 43 35.882 22.634 25.136 1.00 0.00 H new ATOM 0 HA LYS A 43 38.325 24.018 24.958 1.00 0.00 H new ATOM 0 HB2 LYS A 43 37.786 22.209 26.595 1.00 0.00 H new ATOM 0 HB3 LYS A 43 37.736 21.038 25.293 1.00 0.00 H new ATOM 0 HG2 LYS A 43 40.127 21.516 24.744 1.00 0.00 H new ATOM 0 HG3 LYS A 43 40.185 22.737 25.999 1.00 0.00 H new ATOM 0 HD2 LYS A 43 39.616 20.989 27.719 1.00 0.00 H new ATOM 0 HD3 LYS A 43 39.577 19.770 26.460 1.00 0.00 H new ATOM 0 HE2 LYS A 43 42.014 21.498 27.136 1.00 0.00 H new ATOM 0 HE3 LYS A 43 41.791 19.840 27.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 43.033 19.633 25.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 41.454 19.356 25.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 42.192 20.865 24.910 1.00 0.00 H new ATOM 709 N LEU A 44 37.727 21.841 22.546 1.00 0.00 N ATOM 710 CA LEU A 44 38.157 21.424 21.215 1.00 0.00 C ATOM 711 C LEU A 44 38.133 22.605 20.250 1.00 0.00 C ATOM 712 O LEU A 44 39.024 22.751 19.412 1.00 0.00 O ATOM 713 CB LEU A 44 37.237 20.319 20.690 1.00 0.00 C ATOM 714 CG LEU A 44 37.436 19.030 21.502 1.00 0.00 C ATOM 715 CD1 LEU A 44 36.353 18.020 21.108 1.00 0.00 C ATOM 716 CD2 LEU A 44 38.832 18.428 21.229 1.00 0.00 C ATOM 0 H LEU A 44 36.874 21.391 22.877 1.00 0.00 H new ATOM 0 HA LEU A 44 39.177 21.046 21.286 1.00 0.00 H new ATOM 0 HB2 LEU A 44 36.198 20.641 20.754 1.00 0.00 H new ATOM 0 HB3 LEU A 44 37.448 20.130 19.637 1.00 0.00 H new ATOM 0 HG LEU A 44 37.361 19.262 22.564 1.00 0.00 H new ATOM 0 HD11 LEU A 44 36.487 17.102 21.680 1.00 0.00 H new ATOM 0 HD12 LEU A 44 35.370 18.440 21.320 1.00 0.00 H new ATOM 0 HD13 LEU A 44 36.431 17.799 20.043 1.00 0.00 H new ATOM 0 HD21 LEU A 44 38.955 17.516 21.813 1.00 0.00 H new ATOM 0 HD22 LEU A 44 38.927 18.196 20.168 1.00 0.00 H new ATOM 0 HD23 LEU A 44 39.600 19.147 21.513 1.00 0.00 H new ATOM 728 N ALA A 45 37.109 23.443 20.371 1.00 0.00 N ATOM 729 CA ALA A 45 36.982 24.607 19.499 1.00 0.00 C ATOM 730 C ALA A 45 38.172 25.543 19.677 1.00 0.00 C ATOM 731 O ALA A 45 38.691 26.094 18.705 1.00 0.00 O ATOM 732 CB ALA A 45 35.688 25.358 19.817 1.00 0.00 C ATOM 0 H ALA A 45 36.361 23.341 21.057 1.00 0.00 H new ATOM 0 HA ALA A 45 36.958 24.262 18.465 1.00 0.00 H new ATOM 0 HB1 ALA A 45 35.600 26.225 19.162 1.00 0.00 H new ATOM 0 HB2 ALA A 45 34.836 24.697 19.660 1.00 0.00 H new ATOM 0 HB3 ALA A 45 35.705 25.688 20.856 1.00 0.00 H new ATOM 738 N ASP A 46 38.603 25.718 20.922 1.00 0.00 N ATOM 739 CA ASP A 46 39.736 26.590 21.214 1.00 0.00 C ATOM 740 C ASP A 46 40.321 26.268 22.586 1.00 0.00 C ATOM 741 O ASP A 46 39.655 25.668 23.430 1.00 0.00 O ATOM 742 CB ASP A 46 39.289 28.056 21.172 1.00 0.00 C ATOM 743 CG ASP A 46 40.498 28.975 21.011 1.00 0.00 C ATOM 744 OD1 ASP A 46 41.596 28.463 20.870 1.00 0.00 O ATOM 745 OD2 ASP A 46 40.306 30.180 21.030 1.00 0.00 O1- ATOM 0 H ASP A 46 38.189 25.271 21.740 1.00 0.00 H new ATOM 0 HA ASP A 46 40.505 26.424 20.460 1.00 0.00 H new ATOM 0 HB2 ASP A 46 38.595 28.208 20.345 1.00 0.00 H new ATOM 0 HB3 ASP A 46 38.753 28.306 22.088 1.00 0.00 H new ATOM 750 N LYS A 47 41.571 26.673 22.803 1.00 0.00 N ATOM 751 CA LYS A 47 42.251 26.430 24.078 1.00 0.00 C ATOM 752 C LYS A 47 43.027 27.675 24.500 1.00 0.00 C ATOM 753 O LYS A 47 43.793 28.234 23.715 1.00 0.00 O ATOM 754 CB LYS A 47 43.205 25.233 23.927 1.00 0.00 C ATOM 755 CG LYS A 47 43.985 24.952 25.229 1.00 0.00 C ATOM 756 CD LYS A 47 43.040 24.469 26.337 1.00 0.00 C ATOM 757 CE LYS A 47 43.865 23.960 27.519 1.00 0.00 C ATOM 758 NZ LYS A 47 42.950 23.490 28.597 1.00 0.00 N1+ ATOM 0 H LYS A 47 42.135 27.171 22.114 1.00 0.00 H new ATOM 0 HA LYS A 47 41.512 26.204 24.847 1.00 0.00 H new ATOM 0 HB2 LYS A 47 42.635 24.347 23.647 1.00 0.00 H new ATOM 0 HB3 LYS A 47 43.908 25.429 23.117 1.00 0.00 H new ATOM 0 HG2 LYS A 47 44.751 24.199 25.044 1.00 0.00 H new ATOM 0 HG3 LYS A 47 44.499 25.857 25.552 1.00 0.00 H new ATOM 0 HD2 LYS A 47 42.390 25.283 26.657 1.00 0.00 H new ATOM 0 HD3 LYS A 47 42.395 23.675 25.960 1.00 0.00 H new ATOM 0 HE2 LYS A 47 44.515 23.146 27.199 1.00 0.00 H new ATOM 0 HE3 LYS A 47 44.510 24.754 27.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 43.402 22.714 29.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 42.747 24.276 29.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 42.062 23.152 28.175 1.00 0.00 H new ATOM 772 N GLN A 48 42.822 28.105 25.746 1.00 0.00 N ATOM 773 CA GLN A 48 43.505 29.291 26.271 1.00 0.00 C ATOM 774 C GLN A 48 44.108 28.997 27.642 1.00 0.00 C ATOM 775 O GLN A 48 43.561 28.214 28.418 1.00 0.00 O ATOM 776 CB GLN A 48 42.511 30.450 26.394 1.00 0.00 C ATOM 777 CG GLN A 48 41.910 30.769 25.021 1.00 0.00 C ATOM 778 CD GLN A 48 43.006 31.201 24.052 1.00 0.00 C ATOM 779 OE1 GLN A 48 43.235 30.541 23.037 1.00 0.00 O ATOM 780 NE2 GLN A 48 43.702 32.275 24.304 1.00 0.00 N ATOM 0 H GLN A 48 42.192 27.653 26.409 1.00 0.00 H new ATOM 0 HA GLN A 48 44.304 29.563 25.582 1.00 0.00 H new ATOM 0 HB2 GLN A 48 41.719 30.188 27.096 1.00 0.00 H new ATOM 0 HB3 GLN A 48 43.013 31.331 26.794 1.00 0.00 H new ATOM 0 HG2 GLN A 48 41.394 29.892 24.630 1.00 0.00 H new ATOM 0 HG3 GLN A 48 41.167 31.560 25.117 1.00 0.00 H new ATOM 0 HE21 GLN A 48 43.512 32.821 25.145 1.00 0.00 H new ATOM 0 HE22 GLN A 48 44.437 32.569 23.661 1.00 0.00 H new ATOM 789 N GLU A 49 45.237 29.636 27.934 1.00 0.00 N ATOM 790 CA GLU A 49 45.911 29.445 29.218 1.00 0.00 C ATOM 791 C GLU A 49 45.363 30.420 30.255 1.00 0.00 C ATOM 792 O GLU A 49 45.728 30.363 31.429 1.00 0.00 O ATOM 793 CB GLU A 49 47.416 29.666 29.052 1.00 0.00 C ATOM 794 CG GLU A 49 47.999 28.567 28.162 1.00 0.00 C ATOM 795 CD GLU A 49 49.488 28.811 27.940 1.00 0.00 C ATOM 796 OE1 GLU A 49 49.964 29.858 28.346 1.00 0.00 O ATOM 797 OE2 GLU A 49 50.131 27.947 27.367 1.00 0.00 O1- ATOM 0 H GLU A 49 45.704 30.288 27.304 1.00 0.00 H new ATOM 0 HA GLU A 49 45.729 28.426 29.560 1.00 0.00 H new ATOM 0 HB2 GLU A 49 47.604 30.644 28.610 1.00 0.00 H new ATOM 0 HB3 GLU A 49 47.905 29.657 30.026 1.00 0.00 H new ATOM 0 HG2 GLU A 49 47.847 27.593 28.626 1.00 0.00 H new ATOM 0 HG3 GLU A 49 47.478 28.548 27.205 1.00 0.00 H new ATOM 804 N HIS A 50 44.491 31.317 29.808 1.00 0.00 N ATOM 805 CA HIS A 50 43.901 32.309 30.701 1.00 0.00 C ATOM 806 C HIS A 50 43.123 31.637 31.829 1.00 0.00 C ATOM 807 O HIS A 50 43.276 31.995 32.997 1.00 0.00 O ATOM 808 CB HIS A 50 42.967 33.228 29.910 1.00 0.00 C ATOM 809 CG HIS A 50 42.317 34.213 30.844 1.00 0.00 C ATOM 810 ND1 HIS A 50 43.017 35.263 31.415 1.00 0.00 N ATOM 811 CD2 HIS A 50 41.031 34.317 31.315 1.00 0.00 C ATOM 812 CE1 HIS A 50 42.157 35.950 32.191 1.00 0.00 C ATOM 813 NE2 HIS A 50 40.933 35.416 32.165 1.00 0.00 N ATOM 0 H HIS A 50 44.178 31.378 28.839 1.00 0.00 H new ATOM 0 HA HIS A 50 44.708 32.895 31.140 1.00 0.00 H new ATOM 0 HB2 HIS A 50 43.528 33.758 29.140 1.00 0.00 H new ATOM 0 HB3 HIS A 50 42.205 32.638 29.400 1.00 0.00 H new ATOM 0 HD2 HIS A 50 40.220 33.649 31.065 1.00 0.00 H new ATOM 0 HE1 HIS A 50 42.424 36.825 32.764 1.00 0.00 H new ATOM 0 HE2 HIS A 50 40.104 35.743 32.661 1.00 0.00 H new ATOM 821 N LEU A 51 42.281 30.666 31.476 1.00 0.00 N ATOM 822 CA LEU A 51 41.478 29.958 32.474 1.00 0.00 C ATOM 823 C LEU A 51 41.214 28.521 32.034 1.00 0.00 C ATOM 824 O LEU A 51 41.183 27.606 32.858 1.00 0.00 O ATOM 825 CB LEU A 51 40.148 30.697 32.681 1.00 0.00 C ATOM 826 CG LEU A 51 39.279 29.972 33.722 1.00 0.00 C ATOM 827 CD1 LEU A 51 40.006 29.913 35.075 1.00 0.00 C ATOM 828 CD2 LEU A 51 37.960 30.738 33.882 1.00 0.00 C ATOM 0 H LEU A 51 42.137 30.353 30.516 1.00 0.00 H new ATOM 0 HA LEU A 51 42.030 29.932 33.414 1.00 0.00 H new ATOM 0 HB2 LEU A 51 40.341 31.718 33.009 1.00 0.00 H new ATOM 0 HB3 LEU A 51 39.612 30.762 31.734 1.00 0.00 H new ATOM 0 HG LEU A 51 39.085 28.953 33.386 1.00 0.00 H new ATOM 0 HD11 LEU A 51 39.379 29.397 35.803 1.00 0.00 H new ATOM 0 HD12 LEU A 51 40.947 29.374 34.959 1.00 0.00 H new ATOM 0 HD13 LEU A 51 40.208 30.926 35.424 1.00 0.00 H new ATOM 0 HD21 LEU A 51 37.334 30.234 34.618 1.00 0.00 H new ATOM 0 HD22 LEU A 51 38.168 31.754 34.217 1.00 0.00 H new ATOM 0 HD23 LEU A 51 37.440 30.771 32.925 1.00 0.00 H new ATOM 840 N ASP A 52 41.018 28.326 30.734 1.00 0.00 N ATOM 841 CA ASP A 52 40.752 26.992 30.207 1.00 0.00 C ATOM 842 C ASP A 52 41.923 26.057 30.493 1.00 0.00 C ATOM 843 O ASP A 52 41.727 24.888 30.828 1.00 0.00 O ATOM 844 CB ASP A 52 40.506 27.064 28.698 1.00 0.00 C ATOM 845 CG ASP A 52 39.157 27.718 28.419 1.00 0.00 C ATOM 846 OD1 ASP A 52 38.382 27.852 29.351 1.00 0.00 O ATOM 847 OD2 ASP A 52 38.918 28.073 27.277 1.00 0.00 O1- ATOM 0 H ASP A 52 41.038 29.066 30.032 1.00 0.00 H new ATOM 0 HA ASP A 52 39.863 26.599 30.700 1.00 0.00 H new ATOM 0 HB2 ASP A 52 41.302 27.634 28.219 1.00 0.00 H new ATOM 0 HB3 ASP A 52 40.529 26.062 28.269 1.00 0.00 H new ATOM 852 N GLY A 53 43.138 26.577 30.363 1.00 0.00 N ATOM 853 CA GLY A 53 44.332 25.776 30.614 1.00 0.00 C ATOM 854 C GLY A 53 44.622 25.696 32.112 1.00 0.00 C ATOM 855 O GLY A 53 43.914 26.297 32.919 1.00 0.00 O ATOM 0 H GLY A 53 43.323 27.542 30.088 1.00 0.00 H new ATOM 0 HA2 GLY A 53 44.195 24.773 30.211 1.00 0.00 H new ATOM 0 HA3 GLY A 53 45.185 26.214 30.096 1.00 0.00 H new ATOM 859 N ALA A 54 45.664 24.950 32.482 1.00 0.00 N ATOM 860 CA ALA A 54 46.023 24.809 33.888 1.00 0.00 C ATOM 861 C ALA A 54 44.832 24.303 34.697 1.00 0.00 C ATOM 862 O ALA A 54 44.625 24.715 35.838 1.00 0.00 O ATOM 863 CB ALA A 54 46.485 26.156 34.447 1.00 0.00 C ATOM 0 H ALA A 54 46.266 24.441 31.834 1.00 0.00 H new ATOM 0 HA ALA A 54 46.835 24.086 33.965 1.00 0.00 H new ATOM 0 HB1 ALA A 54 46.751 26.042 35.498 1.00 0.00 H new ATOM 0 HB2 ALA A 54 47.354 26.503 33.888 1.00 0.00 H new ATOM 0 HB3 ALA A 54 45.679 26.884 34.354 1.00 0.00 H new ATOM 869 N LEU A 55 44.054 23.408 34.097 1.00 0.00 N ATOM 870 CA LEU A 55 42.886 22.852 34.772 1.00 0.00 C ATOM 871 C LEU A 55 43.309 22.105 36.033 1.00 0.00 C ATOM 872 O LEU A 55 42.694 22.252 37.089 1.00 0.00 O ATOM 873 CB LEU A 55 42.143 21.904 33.822 1.00 0.00 C ATOM 874 CG LEU A 55 40.913 21.294 34.513 1.00 0.00 C ATOM 875 CD1 LEU A 55 39.939 22.405 34.943 1.00 0.00 C ATOM 876 CD2 LEU A 55 40.213 20.349 33.532 1.00 0.00 C ATOM 0 H LEU A 55 44.209 23.054 33.153 1.00 0.00 H new ATOM 0 HA LEU A 55 42.221 23.667 35.058 1.00 0.00 H new ATOM 0 HB2 LEU A 55 41.833 22.446 32.929 1.00 0.00 H new ATOM 0 HB3 LEU A 55 42.814 21.109 33.495 1.00 0.00 H new ATOM 0 HG LEU A 55 41.230 20.745 35.400 1.00 0.00 H new ATOM 0 HD11 LEU A 55 39.072 21.960 35.431 1.00 0.00 H new ATOM 0 HD12 LEU A 55 40.440 23.079 35.637 1.00 0.00 H new ATOM 0 HD13 LEU A 55 39.614 22.964 34.065 1.00 0.00 H new ATOM 0 HD21 LEU A 55 39.338 19.910 34.011 1.00 0.00 H new ATOM 0 HD22 LEU A 55 39.901 20.907 32.649 1.00 0.00 H new ATOM 0 HD23 LEU A 55 40.901 19.557 33.236 1.00 0.00 H new ATOM 888 N ARG A 56 44.363 21.303 35.915 1.00 0.00 N ATOM 889 CA ARG A 56 44.858 20.538 37.053 1.00 0.00 C ATOM 890 C ARG A 56 45.431 21.471 38.115 1.00 0.00 C ATOM 891 O ARG A 56 46.220 22.364 37.810 1.00 0.00 O ATOM 892 CB ARG A 56 45.940 19.558 36.590 1.00 0.00 C ATOM 893 CG ARG A 56 46.385 18.688 37.768 1.00 0.00 C ATOM 894 CD ARG A 56 47.421 17.669 37.288 1.00 0.00 C ATOM 895 NE ARG A 56 47.840 16.817 38.395 1.00 0.00 N ATOM 896 CZ ARG A 56 48.781 17.209 39.248 1.00 0.00 C ATOM 897 NH1 ARG A 56 49.139 16.427 40.230 1.00 0.00 N1+ ATOM 898 NH2 ARG A 56 49.347 18.376 39.105 1.00 0.00 N ATOM 0 H ARG A 56 44.887 21.167 35.050 1.00 0.00 H new ATOM 0 HA ARG A 56 44.026 19.982 37.486 1.00 0.00 H new ATOM 0 HB2 ARG A 56 45.556 18.930 35.786 1.00 0.00 H new ATOM 0 HB3 ARG A 56 46.792 20.106 36.187 1.00 0.00 H new ATOM 0 HG2 ARG A 56 46.810 19.312 38.554 1.00 0.00 H new ATOM 0 HG3 ARG A 56 45.526 18.174 38.199 1.00 0.00 H new ATOM 0 HD2 ARG A 56 46.999 17.059 36.490 1.00 0.00 H new ATOM 0 HD3 ARG A 56 48.285 18.187 36.871 1.00 0.00 H new ATOM 0 HE ARG A 56 47.403 15.903 38.517 1.00 0.00 H new ATOM 0 HH11 ARG A 56 48.697 15.515 40.343 1.00 0.00 H new ATOM 0 HH12 ARG A 56 49.861 16.728 40.884 1.00 0.00 H new ATOM 0 HH21 ARG A 56 49.067 18.988 38.338 1.00 0.00 H new ATOM 0 HH22 ARG A 56 50.069 18.676 39.760 1.00 0.00 H new ATOM 912 N TYR A 57 45.028 21.257 39.363 1.00 0.00 N ATOM 913 CA TYR A 57 45.507 22.086 40.463 1.00 0.00 C ATOM 914 C TYR A 57 46.951 21.734 40.808 1.00 0.00 C ATOM 915 O TYR A 57 47.157 20.702 41.425 1.00 0.00 O ATOM 916 CB TYR A 57 44.622 21.883 41.694 1.00 0.00 C ATOM 917 CG TYR A 57 43.212 22.322 41.379 1.00 0.00 C ATOM 918 CD1 TYR A 57 42.278 21.391 40.907 1.00 0.00 C ATOM 919 CD2 TYR A 57 42.838 23.659 41.558 1.00 0.00 C ATOM 920 CE1 TYR A 57 40.971 21.798 40.615 1.00 0.00 C ATOM 921 CE2 TYR A 57 41.531 24.066 41.266 1.00 0.00 C ATOM 922 CZ TYR A 57 40.597 23.136 40.795 1.00 0.00 C ATOM 923 OH TYR A 57 39.309 23.537 40.507 1.00 0.00 O ATOM 924 OXT TYR A 57 47.829 22.502 40.451 1.00 0.00 O ATOM 0 H TYR A 57 44.376 20.522 39.637 1.00 0.00 H new ATOM 0 HA TYR A 57 45.463 23.130 40.153 1.00 0.00 H new ATOM 0 HB2 TYR A 57 44.630 20.834 41.992 1.00 0.00 H new ATOM 0 HB3 TYR A 57 45.013 22.456 42.535 1.00 0.00 H new ATOM 0 HD1 TYR A 57 42.566 20.359 40.768 1.00 0.00 H new ATOM 0 HD2 TYR A 57 43.558 24.377 41.922 1.00 0.00 H new ATOM 0 HE1 TYR A 57 40.251 21.080 40.251 1.00 0.00 H new ATOM 0 HE2 TYR A 57 41.243 25.098 41.404 1.00 0.00 H new ATOM 0 HH TYR A 57 39.217 24.496 40.688 1.00 0.00 H new TER 934 TYR A 57