USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 577 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 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -143:sc= -1.61 (180deg=-3.77!) USER MOD Single : A 10 LYS NZ :NH3+ 156:sc= -0.181 (180deg=-1.31) USER MOD Single : A 12 LYS NZ :NH3+ 174:sc= 0.415 (180deg=0.406) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 144:sc= -0.414 (180deg=-1.69!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 130:sc= -6.62! USER MOD Single : A 38 LYS NZ :NH3+ 172:sc= 0.134 (180deg=0.111) USER MOD Single : A 39 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00607) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -151:sc= -1.39 (180deg=-2.56!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 10 N SER A 2 -16.548 -4.265 7.224 1.00 0.00 N ATOM 11 CA SER A 2 -16.935 -3.822 5.889 1.00 0.00 C ATOM 12 C SER A 2 -16.100 -2.624 5.449 1.00 0.00 C ATOM 13 O SER A 2 -15.862 -2.426 4.257 1.00 0.00 O ATOM 14 CB SER A 2 -18.421 -3.460 5.861 1.00 0.00 C ATOM 15 OG SER A 2 -18.809 -2.994 4.581 1.00 0.00 O ATOM 0 HA SER A 2 -16.754 -4.642 5.194 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.016 -4.333 6.129 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.626 -2.693 6.608 1.00 0.00 H new ATOM 0 HG SER A 2 -19.763 -2.771 4.589 1.00 0.00 H new ATOM 21 N ARG A 3 -15.658 -1.827 6.417 1.00 0.00 N ATOM 22 CA ARG A 3 -14.851 -0.648 6.126 1.00 0.00 C ATOM 23 C ARG A 3 -13.367 -1.002 6.064 1.00 0.00 C ATOM 24 O ARG A 3 -12.616 -0.429 5.276 1.00 0.00 O ATOM 25 CB ARG A 3 -15.088 0.431 7.184 1.00 0.00 C ATOM 26 CG ARG A 3 -14.719 -0.006 8.593 1.00 0.00 C ATOM 27 CD ARG A 3 -13.394 0.596 9.033 1.00 0.00 C ATOM 28 NE ARG A 3 -13.533 1.998 9.421 1.00 0.00 N ATOM 29 CZ ARG A 3 -14.016 2.398 10.595 1.00 0.00 C ATOM 30 NH1 ARG A 3 -14.404 1.508 11.499 1.00 0.00 N1+ ATOM 31 NH2 ARG A 3 -14.111 3.693 10.864 1.00 0.00 N ATOM 0 H ARG A 3 -15.845 -1.976 7.409 1.00 0.00 H new ATOM 0 HA ARG A 3 -15.153 -0.264 5.151 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -14.508 1.317 6.924 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -16.139 0.721 7.166 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -15.505 0.295 9.286 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.657 -1.093 8.634 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -12.997 0.025 9.872 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -12.671 0.514 8.221 1.00 0.00 H new ATOM 0 HE ARG A 3 -13.243 2.712 8.753 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -14.333 0.511 11.296 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -14.773 1.821 12.397 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -13.814 4.381 10.172 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -14.481 4.001 11.763 1.00 0.00 H new ATOM 45 N VAL A 4 -12.953 -1.951 6.899 1.00 0.00 N ATOM 46 CA VAL A 4 -11.559 -2.380 6.936 1.00 0.00 C ATOM 47 C VAL A 4 -11.206 -3.192 5.694 1.00 0.00 C ATOM 48 O VAL A 4 -10.160 -2.978 5.080 1.00 0.00 O ATOM 49 CB VAL A 4 -11.263 -3.224 8.191 1.00 0.00 C ATOM 50 CG1 VAL A 4 -9.777 -3.531 8.291 1.00 0.00 C ATOM 51 CG2 VAL A 4 -11.752 -2.513 9.444 1.00 0.00 C ATOM 0 H VAL A 4 -13.562 -2.437 7.558 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.948 -1.478 6.965 1.00 0.00 H new ATOM 0 HB VAL A 4 -11.801 -4.168 8.104 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.588 -4.128 9.183 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.460 -4.087 7.409 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.216 -2.598 8.353 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -11.533 -3.126 10.319 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.246 -1.552 9.538 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -12.828 -2.351 9.374 1.00 0.00 H new ATOM 61 N LYS A 5 -12.083 -4.121 5.323 1.00 0.00 N ATOM 62 CA LYS A 5 -11.857 -4.955 4.149 1.00 0.00 C ATOM 63 C LYS A 5 -11.754 -4.091 2.897 1.00 0.00 C ATOM 64 O LYS A 5 -10.899 -4.318 2.043 1.00 0.00 O ATOM 65 CB LYS A 5 -12.981 -5.983 3.995 1.00 0.00 C ATOM 66 CG LYS A 5 -13.012 -6.666 2.634 1.00 0.00 C ATOM 67 CD LYS A 5 -11.667 -7.281 2.288 1.00 0.00 C ATOM 68 CE LYS A 5 -11.458 -8.603 3.008 1.00 0.00 C ATOM 69 NZ LYS A 5 -11.226 -8.411 4.466 1.00 0.00 N1+ ATOM 0 H LYS A 5 -12.954 -4.314 5.818 1.00 0.00 H new ATOM 0 HA LYS A 5 -10.917 -5.490 4.282 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -12.874 -6.743 4.769 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.938 -5.489 4.164 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.779 -7.441 2.632 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.289 -5.941 1.869 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.604 -7.438 1.211 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.869 -6.589 2.557 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.331 -9.239 2.860 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.606 -9.124 2.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.524 -9.102 4.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.872 -7.448 4.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -12.119 -8.548 4.981 1.00 0.00 H new ATOM 83 N ALA A 6 -12.622 -3.092 2.805 1.00 0.00 N ATOM 84 CA ALA A 6 -12.622 -2.182 1.668 1.00 0.00 C ATOM 85 C ALA A 6 -11.256 -1.525 1.522 1.00 0.00 C ATOM 86 O ALA A 6 -10.787 -1.273 0.413 1.00 0.00 O ATOM 87 CB ALA A 6 -13.707 -1.130 1.831 1.00 0.00 C ATOM 0 H ALA A 6 -13.336 -2.891 3.505 1.00 0.00 H new ATOM 0 HA ALA A 6 -12.831 -2.752 0.763 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.694 -0.458 0.973 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.680 -1.618 1.895 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.527 -0.559 2.742 1.00 0.00 H new ATOM 93 N LEU A 7 -10.627 -1.258 2.660 1.00 0.00 N ATOM 94 CA LEU A 7 -9.312 -0.636 2.694 1.00 0.00 C ATOM 95 C LEU A 7 -8.292 -1.482 1.937 1.00 0.00 C ATOM 96 O LEU A 7 -7.454 -0.959 1.205 1.00 0.00 O ATOM 97 CB LEU A 7 -8.868 -0.474 4.147 1.00 0.00 C ATOM 98 CG LEU A 7 -8.173 0.843 4.477 1.00 0.00 C ATOM 99 CD1 LEU A 7 -6.806 0.906 3.817 1.00 0.00 C ATOM 100 CD2 LEU A 7 -9.033 2.024 4.049 1.00 0.00 C ATOM 0 H LEU A 7 -11.013 -1.466 3.581 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.374 0.340 2.213 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.743 -0.574 4.790 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.194 -1.293 4.396 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.033 0.897 5.557 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.326 1.853 4.064 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.190 0.082 4.177 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.920 0.828 2.736 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.520 2.955 4.293 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.207 1.976 2.974 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.988 1.988 4.573 1.00 0.00 H new ATOM 112 N GLU A 8 -8.371 -2.791 2.131 1.00 0.00 N ATOM 113 CA GLU A 8 -7.456 -3.723 1.480 1.00 0.00 C ATOM 114 C GLU A 8 -7.641 -3.725 -0.040 1.00 0.00 C ATOM 115 O GLU A 8 -6.691 -3.952 -0.790 1.00 0.00 O ATOM 116 CB GLU A 8 -7.656 -5.138 2.049 1.00 0.00 C ATOM 117 CG GLU A 8 -8.619 -6.010 1.252 1.00 0.00 C ATOM 118 CD GLU A 8 -7.946 -6.701 0.083 1.00 0.00 C ATOM 119 OE1 GLU A 8 -6.724 -6.949 0.162 1.00 0.00 O1- ATOM 120 OE2 GLU A 8 -8.640 -6.994 -0.913 1.00 0.00 O ATOM 0 H GLU A 8 -9.062 -3.235 2.736 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.437 -3.395 1.685 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.688 -5.637 2.096 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.022 -5.056 3.072 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.055 -6.761 1.911 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.440 -5.395 0.883 1.00 0.00 H new ATOM 127 N GLU A 9 -8.871 -3.490 -0.484 1.00 0.00 N ATOM 128 CA GLU A 9 -9.188 -3.484 -1.910 1.00 0.00 C ATOM 129 C GLU A 9 -8.519 -2.321 -2.643 1.00 0.00 C ATOM 130 O GLU A 9 -8.090 -2.467 -3.788 1.00 0.00 O ATOM 131 CB GLU A 9 -10.703 -3.420 -2.111 1.00 0.00 C ATOM 132 CG GLU A 9 -11.358 -4.786 -2.241 1.00 0.00 C ATOM 133 CD GLU A 9 -11.932 -5.029 -3.623 1.00 0.00 C ATOM 134 OE1 GLU A 9 -11.142 -5.259 -4.563 1.00 0.00 O1- ATOM 135 OE2 GLU A 9 -13.173 -4.992 -3.765 1.00 0.00 O ATOM 0 H GLU A 9 -9.668 -3.301 0.124 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.799 -4.410 -2.334 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.151 -2.890 -1.270 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.918 -2.837 -3.006 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.624 -5.560 -2.015 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.153 -4.875 -1.501 1.00 0.00 H new ATOM 142 N LYS A 10 -8.446 -1.166 -1.992 1.00 0.00 N ATOM 143 CA LYS A 10 -7.843 0.017 -2.601 1.00 0.00 C ATOM 144 C LYS A 10 -6.324 -0.115 -2.702 1.00 0.00 C ATOM 145 O LYS A 10 -5.713 0.373 -3.652 1.00 0.00 O ATOM 146 CB LYS A 10 -8.209 1.272 -1.804 1.00 0.00 C ATOM 147 CG LYS A 10 -7.738 1.242 -0.359 1.00 0.00 C ATOM 148 CD LYS A 10 -7.460 2.643 0.168 1.00 0.00 C ATOM 149 CE LYS A 10 -6.069 2.747 0.773 1.00 0.00 C ATOM 150 NZ LYS A 10 -5.412 4.042 0.438 1.00 0.00 N1+ ATOM 0 H LYS A 10 -8.796 -1.022 -1.045 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.240 0.106 -3.612 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.779 2.143 -2.298 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.292 1.398 -1.821 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.495 0.763 0.261 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.834 0.638 -0.283 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.559 3.364 -0.643 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.205 2.904 0.920 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.136 2.643 1.856 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.453 1.923 0.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.690 4.260 1.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.962 3.971 -0.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.125 4.799 0.423 1.00 0.00 H new ATOM 164 N VAL A 11 -5.721 -0.766 -1.714 1.00 0.00 N ATOM 165 CA VAL A 11 -4.273 -0.949 -1.689 1.00 0.00 C ATOM 166 C VAL A 11 -3.787 -1.792 -2.866 1.00 0.00 C ATOM 167 O VAL A 11 -2.741 -1.510 -3.450 1.00 0.00 O ATOM 168 CB VAL A 11 -3.820 -1.618 -0.377 1.00 0.00 C ATOM 169 CG1 VAL A 11 -2.301 -1.631 -0.280 1.00 0.00 C ATOM 170 CG2 VAL A 11 -4.432 -0.910 0.823 1.00 0.00 C ATOM 0 H VAL A 11 -6.212 -1.176 -0.919 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.834 0.046 -1.763 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.170 -2.650 -0.378 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.000 -2.107 0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.887 -2.187 -1.121 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.926 -0.608 -0.302 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.101 -1.397 1.740 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.115 0.133 0.831 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.519 -0.959 0.759 1.00 0.00 H new ATOM 180 N LYS A 12 -4.545 -2.828 -3.204 1.00 0.00 N ATOM 181 CA LYS A 12 -4.184 -3.712 -4.306 1.00 0.00 C ATOM 182 C LYS A 12 -4.313 -3.004 -5.643 1.00 0.00 C ATOM 183 O LYS A 12 -3.492 -3.196 -6.541 1.00 0.00 O ATOM 184 CB LYS A 12 -5.050 -4.972 -4.294 1.00 0.00 C ATOM 185 CG LYS A 12 -4.244 -6.257 -4.392 1.00 0.00 C ATOM 186 CD LYS A 12 -4.224 -7.002 -3.067 1.00 0.00 C ATOM 187 CE LYS A 12 -5.135 -8.219 -3.097 1.00 0.00 C ATOM 188 NZ LYS A 12 -6.497 -7.907 -2.582 1.00 0.00 N1+ ATOM 0 H LYS A 12 -5.414 -3.077 -2.731 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.142 -4.000 -4.170 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.640 -4.990 -3.378 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.754 -4.929 -5.125 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.670 -6.897 -5.165 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.223 -6.026 -4.696 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.205 -7.315 -2.840 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.537 -6.331 -2.267 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.210 -8.591 -4.119 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.695 -9.017 -2.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.115 -8.733 -2.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.441 -7.674 -1.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.888 -7.096 -3.103 1.00 0.00 H new ATOM 202 N ALA A 13 -5.342 -2.176 -5.772 1.00 0.00 N ATOM 203 CA ALA A 13 -5.560 -1.437 -7.005 1.00 0.00 C ATOM 204 C ALA A 13 -4.326 -0.610 -7.331 1.00 0.00 C ATOM 205 O ALA A 13 -3.946 -0.464 -8.491 1.00 0.00 O ATOM 206 CB ALA A 13 -6.788 -0.546 -6.885 1.00 0.00 C ATOM 0 H ALA A 13 -6.033 -2.001 -5.043 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.736 -2.144 -7.816 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.935 -0.001 -7.818 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.665 -1.161 -6.682 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.645 0.163 -6.069 1.00 0.00 H new ATOM 212 N LEU A 14 -3.691 -0.091 -6.286 1.00 0.00 N ATOM 213 CA LEU A 14 -2.477 0.697 -6.446 1.00 0.00 C ATOM 214 C LEU A 14 -1.316 -0.198 -6.867 1.00 0.00 C ATOM 215 O LEU A 14 -0.409 0.229 -7.571 1.00 0.00 O ATOM 216 CB LEU A 14 -2.135 1.431 -5.150 1.00 0.00 C ATOM 217 CG LEU A 14 -1.820 2.918 -5.323 1.00 0.00 C ATOM 218 CD1 LEU A 14 -2.256 3.704 -4.097 1.00 0.00 C ATOM 219 CD2 LEU A 14 -0.338 3.125 -5.591 1.00 0.00 C ATOM 0 H LEU A 14 -3.998 -0.202 -5.320 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.650 1.438 -7.226 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.971 1.329 -4.459 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.277 0.943 -4.687 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.378 3.287 -6.183 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.023 4.759 -4.240 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.330 3.586 -3.952 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.728 3.331 -3.219 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.135 4.189 -5.711 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.241 2.737 -4.753 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.056 2.597 -6.502 1.00 0.00 H new ATOM 231 N GLU A 15 -1.358 -1.447 -6.419 1.00 0.00 N ATOM 232 CA GLU A 15 -0.318 -2.418 -6.735 1.00 0.00 C ATOM 233 C GLU A 15 -0.060 -2.500 -8.238 1.00 0.00 C ATOM 234 O GLU A 15 1.078 -2.650 -8.678 1.00 0.00 O ATOM 235 CB GLU A 15 -0.718 -3.795 -6.208 1.00 0.00 C ATOM 236 CG GLU A 15 0.431 -4.780 -6.176 1.00 0.00 C ATOM 237 CD GLU A 15 0.042 -6.153 -6.688 1.00 0.00 C ATOM 238 OE1 GLU A 15 -0.256 -6.273 -7.894 1.00 0.00 O ATOM 239 OE2 GLU A 15 0.036 -7.107 -5.882 1.00 0.00 O1- ATOM 0 H GLU A 15 -2.107 -1.813 -5.831 1.00 0.00 H new ATOM 0 HA GLU A 15 0.602 -2.088 -6.253 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.124 -3.688 -5.202 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.516 -4.198 -6.832 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.253 -4.392 -6.778 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.799 -4.869 -5.154 1.00 0.00 H new ATOM 246 N GLU A 16 -1.132 -2.415 -9.011 1.00 0.00 N ATOM 247 CA GLU A 16 -1.055 -2.492 -10.468 1.00 0.00 C ATOM 248 C GLU A 16 -0.311 -1.299 -11.049 1.00 0.00 C ATOM 249 O GLU A 16 0.351 -1.418 -12.077 1.00 0.00 O ATOM 250 CB GLU A 16 -2.461 -2.585 -11.073 1.00 0.00 C ATOM 251 CG GLU A 16 -3.256 -1.290 -10.989 1.00 0.00 C ATOM 252 CD GLU A 16 -3.468 -0.646 -12.345 1.00 0.00 C ATOM 253 OE1 GLU A 16 -2.490 -0.548 -13.115 1.00 0.00 O1- ATOM 254 OE2 GLU A 16 -4.613 -0.239 -12.636 1.00 0.00 O ATOM 0 H GLU A 16 -2.078 -2.291 -8.651 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.497 -3.393 -10.724 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.377 -2.881 -12.119 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.014 -3.373 -10.562 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.225 -1.492 -10.532 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.735 -0.590 -10.336 1.00 0.00 H new ATOM 261 N LYS A 17 -0.422 -0.151 -10.392 1.00 0.00 N ATOM 262 CA LYS A 17 0.251 1.053 -10.855 1.00 0.00 C ATOM 263 C LYS A 17 1.763 0.932 -10.666 1.00 0.00 C ATOM 264 O LYS A 17 2.542 1.514 -11.420 1.00 0.00 O ATOM 265 CB LYS A 17 -0.296 2.296 -10.137 1.00 0.00 C ATOM 266 CG LYS A 17 0.224 2.487 -8.717 1.00 0.00 C ATOM 267 CD LYS A 17 0.839 3.864 -8.518 1.00 0.00 C ATOM 268 CE LYS A 17 1.928 4.157 -9.540 1.00 0.00 C ATOM 269 NZ LYS A 17 1.713 5.463 -10.220 1.00 0.00 N1+ ATOM 0 H LYS A 17 -0.970 -0.030 -9.540 1.00 0.00 H new ATOM 0 HA LYS A 17 0.051 1.167 -11.920 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.044 3.179 -10.724 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.384 2.233 -10.106 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.594 2.349 -8.009 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.968 1.722 -8.497 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.060 4.623 -8.591 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.257 3.932 -7.514 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.899 4.161 -9.045 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.952 3.360 -10.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.476 5.626 -10.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.798 5.451 -10.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.715 6.227 -9.514 1.00 0.00 H new ATOM 283 N VAL A 18 2.170 0.182 -9.643 1.00 0.00 N ATOM 284 CA VAL A 18 3.591 -0.001 -9.343 1.00 0.00 C ATOM 285 C VAL A 18 4.291 -0.840 -10.410 1.00 0.00 C ATOM 286 O VAL A 18 5.373 -0.487 -10.879 1.00 0.00 O ATOM 287 CB VAL A 18 3.791 -0.673 -7.970 1.00 0.00 C ATOM 288 CG1 VAL A 18 5.265 -0.705 -7.596 1.00 0.00 C ATOM 289 CG2 VAL A 18 2.979 0.041 -6.900 1.00 0.00 C ATOM 0 H VAL A 18 1.539 -0.308 -9.009 1.00 0.00 H new ATOM 0 HA VAL A 18 4.034 0.995 -9.328 1.00 0.00 H new ATOM 0 HB VAL A 18 3.436 -1.701 -8.038 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.383 -1.183 -6.624 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.819 -1.268 -8.347 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.651 0.313 -7.549 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.134 -0.449 -5.939 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.299 1.081 -6.834 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.921 0.003 -7.160 1.00 0.00 H new ATOM 299 N LYS A 19 3.668 -1.947 -10.793 1.00 0.00 N ATOM 300 CA LYS A 19 4.232 -2.831 -11.808 1.00 0.00 C ATOM 301 C LYS A 19 4.187 -2.175 -13.186 1.00 0.00 C ATOM 302 O LYS A 19 4.944 -2.541 -14.085 1.00 0.00 O ATOM 303 CB LYS A 19 3.472 -4.159 -11.835 1.00 0.00 C ATOM 304 CG LYS A 19 2.021 -4.023 -12.266 1.00 0.00 C ATOM 305 CD LYS A 19 1.600 -5.165 -13.179 1.00 0.00 C ATOM 306 CE LYS A 19 1.111 -6.365 -12.384 1.00 0.00 C ATOM 307 NZ LYS A 19 1.687 -7.640 -12.891 1.00 0.00 N1+ ATOM 0 H LYS A 19 2.771 -2.255 -10.417 1.00 0.00 H new ATOM 0 HA LYS A 19 5.274 -3.022 -11.551 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.980 -4.845 -12.513 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.507 -4.608 -10.842 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.379 -4.005 -11.385 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.881 -3.073 -12.782 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.810 -4.824 -13.848 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.442 -5.461 -13.805 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.378 -6.238 -11.335 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.023 -6.414 -12.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.329 -8.433 -12.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.412 -7.774 -13.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.724 -7.605 -12.821 1.00 0.00 H new ATOM 321 N ALA A 20 3.286 -1.213 -13.341 1.00 0.00 N ATOM 322 CA ALA A 20 3.121 -0.505 -14.602 1.00 0.00 C ATOM 323 C ALA A 20 4.269 0.467 -14.851 1.00 0.00 C ATOM 324 O ALA A 20 4.653 0.707 -15.996 1.00 0.00 O ATOM 325 CB ALA A 20 1.788 0.228 -14.612 1.00 0.00 C ATOM 0 H ALA A 20 2.654 -0.904 -12.602 1.00 0.00 H new ATOM 0 HA ALA A 20 3.133 -1.238 -15.409 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.670 0.756 -15.558 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.977 -0.490 -14.494 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.761 0.944 -13.791 1.00 0.00 H new ATOM 331 N LEU A 21 4.819 1.023 -13.775 1.00 0.00 N ATOM 332 CA LEU A 21 5.927 1.966 -13.892 1.00 0.00 C ATOM 333 C LEU A 21 7.201 1.256 -14.344 1.00 0.00 C ATOM 334 O LEU A 21 8.139 1.891 -14.827 1.00 0.00 O ATOM 335 CB LEU A 21 6.158 2.691 -12.559 1.00 0.00 C ATOM 336 CG LEU A 21 6.991 1.927 -11.521 1.00 0.00 C ATOM 337 CD1 LEU A 21 8.399 2.498 -11.438 1.00 0.00 C ATOM 338 CD2 LEU A 21 6.318 1.975 -10.156 1.00 0.00 C ATOM 0 H LEU A 21 4.518 0.838 -12.818 1.00 0.00 H new ATOM 0 HA LEU A 21 5.665 2.706 -14.648 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.650 3.642 -12.764 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.188 2.923 -12.120 1.00 0.00 H new ATOM 0 HG LEU A 21 7.059 0.886 -11.837 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.974 1.943 -10.697 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.884 2.414 -12.411 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.350 3.547 -11.147 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.923 1.428 -9.433 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.219 3.012 -9.836 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.330 1.519 -10.221 1.00 0.00 H new ATOM 350 N GLY A 22 7.225 -0.066 -14.188 1.00 0.00 N ATOM 351 CA GLY A 22 8.385 -0.840 -14.590 1.00 0.00 C ATOM 352 C GLY A 22 8.676 -1.984 -13.638 1.00 0.00 C ATOM 353 O GLY A 22 7.767 -2.515 -12.999 1.00 0.00 O ATOM 0 H GLY A 22 6.462 -0.613 -13.790 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.224 -1.237 -15.592 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.255 -0.185 -14.643 1.00 0.00 H new ATOM 357 N GLY A 23 9.946 -2.363 -13.541 1.00 0.00 N ATOM 358 CA GLY A 23 10.330 -3.450 -12.658 1.00 0.00 C ATOM 359 C GLY A 23 11.808 -3.774 -12.745 1.00 0.00 C ATOM 360 O GLY A 23 12.298 -4.194 -13.794 1.00 0.00 O ATOM 0 H GLY A 23 10.716 -1.938 -14.057 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.079 -3.185 -11.631 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.751 -4.339 -12.908 1.00 0.00 H new ATOM 364 N GLY A 24 12.522 -3.581 -11.640 1.00 0.00 N ATOM 365 CA GLY A 24 13.945 -3.862 -11.618 1.00 0.00 C ATOM 366 C GLY A 24 14.693 -3.006 -10.616 1.00 0.00 C ATOM 367 O GLY A 24 15.086 -1.880 -10.922 1.00 0.00 O ATOM 0 H GLY A 24 12.140 -3.235 -10.760 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.100 -4.914 -11.379 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.360 -3.697 -12.612 1.00 0.00 H new ATOM 371 N GLY A 25 14.893 -3.541 -9.416 1.00 0.00 N ATOM 372 CA GLY A 25 15.600 -2.805 -8.385 1.00 0.00 C ATOM 373 C GLY A 25 14.697 -1.862 -7.617 1.00 0.00 C ATOM 374 O GLY A 25 13.925 -2.290 -6.758 1.00 0.00 O ATOM 0 H GLY A 25 14.578 -4.471 -9.139 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.058 -3.509 -7.690 1.00 0.00 H new ATOM 0 HA3 GLY A 25 16.410 -2.235 -8.841 1.00 0.00 H new ATOM 378 N ARG A 26 14.794 -0.572 -7.924 1.00 0.00 N ATOM 379 CA ARG A 26 13.983 0.441 -7.255 1.00 0.00 C ATOM 380 C ARG A 26 12.495 0.124 -7.376 1.00 0.00 C ATOM 381 O ARG A 26 11.750 0.225 -6.406 1.00 0.00 O ATOM 382 CB ARG A 26 14.273 1.824 -7.847 1.00 0.00 C ATOM 383 CG ARG A 26 14.198 1.866 -9.366 1.00 0.00 C ATOM 384 CD ARG A 26 14.301 3.286 -9.901 1.00 0.00 C ATOM 385 NE ARG A 26 15.423 4.021 -9.316 1.00 0.00 N ATOM 386 CZ ARG A 26 15.993 5.081 -9.884 1.00 0.00 C ATOM 387 NH1 ARG A 26 15.552 5.538 -11.051 1.00 0.00 N1+ ATOM 388 NH2 ARG A 26 17.007 5.689 -9.284 1.00 0.00 N ATOM 0 H ARG A 26 15.427 -0.202 -8.633 1.00 0.00 H new ATOM 0 HA ARG A 26 14.247 0.440 -6.197 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.562 2.542 -7.437 1.00 0.00 H new ATOM 0 HB3 ARG A 26 15.266 2.144 -7.532 1.00 0.00 H new ATOM 0 HG2 ARG A 26 15.002 1.261 -9.786 1.00 0.00 H new ATOM 0 HG3 ARG A 26 13.259 1.421 -9.695 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.415 3.256 -10.985 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.373 3.818 -9.693 1.00 0.00 H new ATOM 0 HE ARG A 26 15.790 3.702 -8.419 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.772 5.076 -11.518 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.994 6.351 -11.480 1.00 0.00 H new ATOM 0 HH21 ARG A 26 17.350 5.344 -8.387 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.444 6.501 -9.719 1.00 0.00 H new ATOM 402 N ILE A 27 12.072 -0.245 -8.579 1.00 0.00 N ATOM 403 CA ILE A 27 10.676 -0.575 -8.843 1.00 0.00 C ATOM 404 C ILE A 27 10.243 -1.862 -8.137 1.00 0.00 C ATOM 405 O ILE A 27 9.159 -1.929 -7.557 1.00 0.00 O ATOM 406 CB ILE A 27 10.416 -0.721 -10.354 1.00 0.00 C ATOM 407 CG1 ILE A 27 11.016 0.464 -11.115 1.00 0.00 C ATOM 408 CG2 ILE A 27 8.923 -0.832 -10.626 1.00 0.00 C ATOM 409 CD1 ILE A 27 10.811 0.386 -12.611 1.00 0.00 C ATOM 0 H ILE A 27 12.681 -0.324 -9.393 1.00 0.00 H new ATOM 0 HA ILE A 27 10.087 0.252 -8.448 1.00 0.00 H new ATOM 0 HB ILE A 27 10.898 -1.634 -10.704 1.00 0.00 H new ATOM 0 HG12 ILE A 27 10.572 1.387 -10.743 1.00 0.00 H new ATOM 0 HG13 ILE A 27 12.084 0.517 -10.905 1.00 0.00 H new ATOM 0 HG21 ILE A 27 8.755 -0.935 -11.698 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.523 -1.705 -10.111 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.420 0.065 -10.264 1.00 0.00 H new ATOM 0 HD11 ILE A 27 11.261 1.258 -13.086 1.00 0.00 H new ATOM 0 HD12 ILE A 27 11.280 -0.520 -12.996 1.00 0.00 H new ATOM 0 HD13 ILE A 27 9.744 0.364 -12.831 1.00 0.00 H new ATOM 421 N GLU A 28 11.085 -2.890 -8.220 1.00 0.00 N ATOM 422 CA GLU A 28 10.783 -4.193 -7.624 1.00 0.00 C ATOM 423 C GLU A 28 10.733 -4.143 -6.097 1.00 0.00 C ATOM 424 O GLU A 28 9.811 -4.673 -5.485 1.00 0.00 O ATOM 425 CB GLU A 28 11.824 -5.222 -8.068 1.00 0.00 C ATOM 426 CG GLU A 28 11.607 -5.737 -9.483 1.00 0.00 C ATOM 427 CD GLU A 28 11.343 -7.230 -9.528 1.00 0.00 C ATOM 428 OE1 GLU A 28 12.153 -7.993 -8.961 1.00 0.00 O ATOM 429 OE2 GLU A 28 10.325 -7.636 -10.128 1.00 0.00 O1- ATOM 0 H GLU A 28 11.986 -2.847 -8.696 1.00 0.00 H new ATOM 0 HA GLU A 28 9.792 -4.483 -7.974 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.816 -4.775 -8.001 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.807 -6.065 -7.377 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.765 -5.210 -9.932 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.485 -5.509 -10.087 1.00 0.00 H new ATOM 436 N GLU A 29 11.731 -3.520 -5.487 1.00 0.00 N ATOM 437 CA GLU A 29 11.797 -3.422 -4.031 1.00 0.00 C ATOM 438 C GLU A 29 10.581 -2.692 -3.463 1.00 0.00 C ATOM 439 O GLU A 29 10.073 -3.040 -2.397 1.00 0.00 O ATOM 440 CB GLU A 29 13.082 -2.709 -3.604 1.00 0.00 C ATOM 441 CG GLU A 29 13.281 -1.360 -4.272 1.00 0.00 C ATOM 442 CD GLU A 29 12.986 -0.198 -3.342 1.00 0.00 C ATOM 443 OE1 GLU A 29 11.808 -0.020 -2.971 1.00 0.00 O1- ATOM 444 OE2 GLU A 29 13.935 0.532 -2.985 1.00 0.00 O ATOM 0 H GLU A 29 12.508 -3.074 -5.975 1.00 0.00 H new ATOM 0 HA GLU A 29 11.799 -4.436 -3.631 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.069 -2.571 -2.523 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.935 -3.348 -3.833 1.00 0.00 H new ATOM 0 HG2 GLU A 29 14.308 -1.283 -4.628 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.634 -1.293 -5.147 1.00 0.00 H new ATOM 451 N LEU A 30 10.141 -1.662 -4.173 1.00 0.00 N ATOM 452 CA LEU A 30 9.010 -0.847 -3.752 1.00 0.00 C ATOM 453 C LEU A 30 7.736 -1.674 -3.557 1.00 0.00 C ATOM 454 O LEU A 30 7.036 -1.515 -2.557 1.00 0.00 O ATOM 455 CB LEU A 30 8.770 0.244 -4.794 1.00 0.00 C ATOM 456 CG LEU A 30 8.520 1.643 -4.232 1.00 0.00 C ATOM 457 CD1 LEU A 30 9.802 2.221 -3.652 1.00 0.00 C ATOM 458 CD2 LEU A 30 7.965 2.554 -5.317 1.00 0.00 C ATOM 0 H LEU A 30 10.558 -1.368 -5.056 1.00 0.00 H new ATOM 0 HA LEU A 30 9.253 -0.405 -2.786 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.634 0.286 -5.457 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.914 -0.042 -5.405 1.00 0.00 H new ATOM 0 HG LEU A 30 7.785 1.571 -3.430 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.605 3.217 -3.256 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.161 1.576 -2.850 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.559 2.284 -4.434 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.791 3.548 -4.904 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.681 2.622 -6.136 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.025 2.146 -5.689 1.00 0.00 H new ATOM 470 N LYS A 31 7.431 -2.544 -4.514 1.00 0.00 N ATOM 471 CA LYS A 31 6.230 -3.377 -4.430 1.00 0.00 C ATOM 472 C LYS A 31 6.313 -4.368 -3.277 1.00 0.00 C ATOM 473 O LYS A 31 5.301 -4.688 -2.659 1.00 0.00 O ATOM 474 CB LYS A 31 5.946 -4.118 -5.739 1.00 0.00 C ATOM 475 CG LYS A 31 7.184 -4.534 -6.516 1.00 0.00 C ATOM 476 CD LYS A 31 6.819 -5.284 -7.788 1.00 0.00 C ATOM 477 CE LYS A 31 7.735 -6.476 -8.019 1.00 0.00 C ATOM 478 NZ LYS A 31 7.880 -7.312 -6.796 1.00 0.00 N1+ ATOM 0 H LYS A 31 7.992 -2.693 -5.353 1.00 0.00 H new ATOM 0 HA LYS A 31 5.400 -2.696 -4.243 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.358 -5.008 -5.516 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.332 -3.481 -6.375 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.770 -3.650 -6.769 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.814 -5.165 -5.889 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.786 -5.625 -7.726 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.880 -4.607 -8.640 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.339 -7.086 -8.831 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.717 -6.123 -8.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.945 -8.314 -7.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.743 -7.035 -6.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.054 -7.172 -6.180 1.00 0.00 H new ATOM 492 N LYS A 32 7.515 -4.861 -2.993 1.00 0.00 N ATOM 493 CA LYS A 32 7.699 -5.824 -1.911 1.00 0.00 C ATOM 494 C LYS A 32 7.174 -5.248 -0.603 1.00 0.00 C ATOM 495 O LYS A 32 6.536 -5.947 0.185 1.00 0.00 O ATOM 496 CB LYS A 32 9.178 -6.191 -1.769 1.00 0.00 C ATOM 497 CG LYS A 32 9.852 -6.522 -3.090 1.00 0.00 C ATOM 498 CD LYS A 32 11.000 -7.499 -2.901 1.00 0.00 C ATOM 499 CE LYS A 32 12.075 -6.929 -1.988 1.00 0.00 C ATOM 500 NZ LYS A 32 13.377 -6.775 -2.694 1.00 0.00 N1+ ATOM 0 H LYS A 32 8.369 -4.613 -3.492 1.00 0.00 H new ATOM 0 HA LYS A 32 7.138 -6.728 -2.150 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.706 -5.361 -1.299 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.269 -7.047 -1.100 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.120 -6.948 -3.776 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.224 -5.606 -3.549 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.621 -8.430 -2.480 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.436 -7.741 -3.870 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.752 -5.960 -1.607 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.204 -7.584 -1.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 14.083 -6.384 -2.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.698 -7.703 -3.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.260 -6.130 -3.502 1.00 0.00 H new ATOM 514 N LYS A 33 7.421 -3.961 -0.391 1.00 0.00 N ATOM 515 CA LYS A 33 6.948 -3.280 0.805 1.00 0.00 C ATOM 516 C LYS A 33 5.423 -3.262 0.818 1.00 0.00 C ATOM 517 O LYS A 33 4.794 -3.363 1.873 1.00 0.00 O ATOM 518 CB LYS A 33 7.495 -1.853 0.859 1.00 0.00 C ATOM 519 CG LYS A 33 7.167 -1.125 2.154 1.00 0.00 C ATOM 520 CD LYS A 33 8.392 -0.987 3.044 1.00 0.00 C ATOM 521 CE LYS A 33 8.513 -2.155 4.010 1.00 0.00 C ATOM 522 NZ LYS A 33 9.823 -2.158 4.717 1.00 0.00 N1+ ATOM 0 H LYS A 33 7.947 -3.368 -1.033 1.00 0.00 H new ATOM 0 HA LYS A 33 7.306 -3.818 1.683 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.577 -1.882 0.732 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.091 -1.286 0.020 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.769 -0.136 1.926 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.387 -1.667 2.689 1.00 0.00 H new ATOM 0 HD2 LYS A 33 9.288 -0.931 2.426 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.332 -0.054 3.605 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.706 -2.106 4.741 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.393 -3.091 3.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.865 -2.970 5.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.593 -2.230 4.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.927 -1.276 5.258 1.00 0.00 H new ATOM 536 N TYR A 34 4.838 -3.131 -0.370 1.00 0.00 N ATOM 537 CA TYR A 34 3.387 -3.096 -0.525 1.00 0.00 C ATOM 538 C TYR A 34 2.739 -4.346 0.067 1.00 0.00 C ATOM 539 O TYR A 34 1.665 -4.272 0.658 1.00 0.00 O ATOM 540 CB TYR A 34 3.015 -2.964 -2.009 1.00 0.00 C ATOM 541 CG TYR A 34 2.221 -1.720 -2.325 1.00 0.00 C ATOM 542 CD1 TYR A 34 0.954 -1.528 -1.790 1.00 0.00 C ATOM 543 CD2 TYR A 34 2.740 -0.738 -3.158 1.00 0.00 C ATOM 544 CE1 TYR A 34 0.228 -0.389 -2.077 1.00 0.00 C ATOM 545 CE2 TYR A 34 2.018 0.403 -3.449 1.00 0.00 C ATOM 546 CZ TYR A 34 0.764 0.573 -2.906 1.00 0.00 C ATOM 547 OH TYR A 34 0.045 1.710 -3.188 1.00 0.00 O ATOM 0 H TYR A 34 5.353 -3.047 -1.247 1.00 0.00 H new ATOM 0 HA TYR A 34 3.011 -2.228 0.017 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.928 -2.963 -2.605 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.439 -3.839 -2.310 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.531 -2.280 -1.141 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.723 -0.868 -3.585 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.756 -0.252 -1.654 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.435 1.158 -4.099 1.00 0.00 H new ATOM 0 HH TYR A 34 0.607 2.498 -3.036 1.00 0.00 H new ATOM 557 N GLU A 35 3.395 -5.493 -0.097 1.00 0.00 N ATOM 558 CA GLU A 35 2.875 -6.753 0.423 1.00 0.00 C ATOM 559 C GLU A 35 2.660 -6.671 1.932 1.00 0.00 C ATOM 560 O GLU A 35 1.650 -7.145 2.453 1.00 0.00 O ATOM 561 CB GLU A 35 3.831 -7.900 0.094 1.00 0.00 C ATOM 562 CG GLU A 35 4.046 -8.104 -1.398 1.00 0.00 C ATOM 563 CD GLU A 35 3.291 -9.304 -1.937 1.00 0.00 C ATOM 564 OE1 GLU A 35 2.056 -9.355 -1.762 1.00 0.00 O1- ATOM 565 OE2 GLU A 35 3.936 -10.191 -2.533 1.00 0.00 O ATOM 0 H GLU A 35 4.287 -5.574 -0.586 1.00 0.00 H new ATOM 0 HA GLU A 35 1.914 -6.944 -0.054 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.793 -7.707 0.568 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.442 -8.822 0.526 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.728 -7.209 -1.933 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.111 -8.231 -1.594 1.00 0.00 H new ATOM 572 N GLU A 36 3.616 -6.065 2.626 1.00 0.00 N ATOM 573 CA GLU A 36 3.537 -5.913 4.073 1.00 0.00 C ATOM 574 C GLU A 36 2.292 -5.124 4.468 1.00 0.00 C ATOM 575 O GLU A 36 1.659 -5.413 5.480 1.00 0.00 O ATOM 576 CB GLU A 36 4.789 -5.213 4.604 1.00 0.00 C ATOM 577 CG GLU A 36 5.028 -5.436 6.089 1.00 0.00 C ATOM 578 CD GLU A 36 6.104 -4.528 6.650 1.00 0.00 C ATOM 579 OE1 GLU A 36 5.843 -3.314 6.789 1.00 0.00 O ATOM 580 OE2 GLU A 36 7.208 -5.030 6.950 1.00 0.00 O1- ATOM 0 H GLU A 36 4.458 -5.670 2.208 1.00 0.00 H new ATOM 0 HA GLU A 36 3.472 -6.907 4.515 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.657 -5.568 4.048 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.705 -4.143 4.415 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.098 -5.269 6.632 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.312 -6.475 6.255 1.00 0.00 H new ATOM 587 N LEU A 37 1.959 -4.120 3.664 1.00 0.00 N ATOM 588 CA LEU A 37 0.802 -3.272 3.920 1.00 0.00 C ATOM 589 C LEU A 37 -0.492 -4.081 3.975 1.00 0.00 C ATOM 590 O LEU A 37 -1.322 -3.882 4.859 1.00 0.00 O ATOM 591 CB LEU A 37 0.704 -2.214 2.819 1.00 0.00 C ATOM 592 CG LEU A 37 0.851 -0.766 3.278 1.00 0.00 C ATOM 593 CD1 LEU A 37 -0.476 -0.230 3.793 1.00 0.00 C ATOM 594 CD2 LEU A 37 1.931 -0.638 4.343 1.00 0.00 C ATOM 0 H LEU A 37 2.480 -3.873 2.822 1.00 0.00 H new ATOM 0 HA LEU A 37 0.935 -2.797 4.892 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.472 -2.419 2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.260 -2.322 2.321 1.00 0.00 H new ATOM 0 HG LEU A 37 1.153 -0.169 2.418 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.350 0.804 4.116 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.220 -0.274 2.997 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.810 -0.835 4.636 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.015 0.404 4.652 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.667 -1.252 5.204 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.885 -0.974 3.936 1.00 0.00 H new ATOM 606 N LYS A 38 -0.657 -4.982 3.017 1.00 0.00 N ATOM 607 CA LYS A 38 -1.853 -5.817 2.943 1.00 0.00 C ATOM 608 C LYS A 38 -2.051 -6.629 4.220 1.00 0.00 C ATOM 609 O LYS A 38 -3.174 -6.803 4.686 1.00 0.00 O ATOM 610 CB LYS A 38 -1.765 -6.759 1.740 1.00 0.00 C ATOM 611 CG LYS A 38 -1.859 -6.048 0.401 1.00 0.00 C ATOM 612 CD LYS A 38 -0.985 -6.716 -0.648 1.00 0.00 C ATOM 613 CE LYS A 38 -1.589 -8.026 -1.129 1.00 0.00 C ATOM 614 NZ LYS A 38 -0.925 -9.205 -0.509 1.00 0.00 N1+ ATOM 0 H LYS A 38 0.023 -5.156 2.277 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.711 -5.155 2.827 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.823 -7.306 1.786 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.565 -7.496 1.807 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.895 -6.043 0.063 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.557 -5.007 0.519 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.854 -6.043 -1.495 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.005 -6.902 -0.232 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.653 -8.043 -0.893 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.502 -8.089 -2.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.450 -10.068 -0.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.050 -9.280 -0.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.911 -9.092 0.525 1.00 0.00 H new ATOM 628 N LYS A 39 -0.953 -7.138 4.767 1.00 0.00 N ATOM 629 CA LYS A 39 -0.994 -7.951 5.980 1.00 0.00 C ATOM 630 C LYS A 39 -1.512 -7.162 7.185 1.00 0.00 C ATOM 631 O LYS A 39 -2.221 -7.706 8.028 1.00 0.00 O ATOM 632 CB LYS A 39 0.398 -8.509 6.283 1.00 0.00 C ATOM 633 CG LYS A 39 0.413 -10.011 6.518 1.00 0.00 C ATOM 634 CD LYS A 39 1.547 -10.685 5.763 1.00 0.00 C ATOM 635 CE LYS A 39 2.802 -10.785 6.616 1.00 0.00 C ATOM 636 NZ LYS A 39 3.555 -9.501 6.649 1.00 0.00 N1+ ATOM 0 H LYS A 39 -0.016 -7.001 4.387 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.689 -8.771 5.800 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.064 -8.273 5.453 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.797 -8.008 7.165 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.515 -10.212 7.584 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.539 -10.438 6.203 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.236 -11.683 5.452 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.766 -10.122 4.856 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.529 -11.072 7.631 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.445 -11.573 6.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.421 -9.621 7.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.809 -9.222 5.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.962 -8.762 7.078 1.00 0.00 H new ATOM 650 N LYS A 40 -1.135 -5.890 7.271 1.00 0.00 N ATOM 651 CA LYS A 40 -1.544 -5.038 8.387 1.00 0.00 C ATOM 652 C LYS A 40 -3.059 -4.854 8.435 1.00 0.00 C ATOM 653 O LYS A 40 -3.674 -4.965 9.495 1.00 0.00 O ATOM 654 CB LYS A 40 -0.861 -3.674 8.284 1.00 0.00 C ATOM 655 CG LYS A 40 -0.439 -3.103 9.629 1.00 0.00 C ATOM 656 CD LYS A 40 0.190 -1.728 9.478 1.00 0.00 C ATOM 657 CE LYS A 40 1.707 -1.803 9.518 1.00 0.00 C ATOM 658 NZ LYS A 40 2.226 -1.835 10.913 1.00 0.00 N1+ ATOM 0 H LYS A 40 -0.546 -5.424 6.581 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.238 -5.534 9.308 1.00 0.00 H new ATOM 0 HB2 LYS A 40 0.017 -3.764 7.645 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.539 -2.973 7.797 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.306 -3.037 10.286 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.271 -3.779 10.106 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.129 -1.282 8.536 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.164 -1.075 10.276 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.040 -2.694 8.986 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.127 -0.944 8.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.265 -1.886 10.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.930 -0.973 11.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.846 -2.669 11.406 1.00 0.00 H new ATOM 672 N ILE A 41 -3.652 -4.571 7.283 1.00 0.00 N ATOM 673 CA ILE A 41 -5.093 -4.367 7.191 1.00 0.00 C ATOM 674 C ILE A 41 -5.836 -5.622 7.624 1.00 0.00 C ATOM 675 O ILE A 41 -6.901 -5.553 8.239 1.00 0.00 O ATOM 676 CB ILE A 41 -5.518 -3.990 5.758 1.00 0.00 C ATOM 677 CG1 ILE A 41 -4.735 -2.765 5.279 1.00 0.00 C ATOM 678 CG2 ILE A 41 -7.015 -3.722 5.696 1.00 0.00 C ATOM 679 CD1 ILE A 41 -4.914 -2.473 3.806 1.00 0.00 C ATOM 0 H ILE A 41 -3.157 -4.477 6.396 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.349 -3.543 7.857 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.293 -4.828 5.098 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.050 -1.895 5.855 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.676 -2.917 5.485 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.295 -3.457 4.676 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.558 -4.617 6.001 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.265 -2.900 6.366 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.331 -1.592 3.536 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.572 -3.327 3.222 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.968 -2.289 3.597 1.00 0.00 H new ATOM 691 N GLU A 42 -5.252 -6.770 7.310 1.00 0.00 N ATOM 692 CA GLU A 42 -5.832 -8.052 7.672 1.00 0.00 C ATOM 693 C GLU A 42 -5.901 -8.184 9.187 1.00 0.00 C ATOM 694 O GLU A 42 -6.819 -8.799 9.730 1.00 0.00 O ATOM 695 CB GLU A 42 -5.002 -9.195 7.080 1.00 0.00 C ATOM 696 CG GLU A 42 -5.593 -9.779 5.808 1.00 0.00 C ATOM 697 CD GLU A 42 -4.947 -11.094 5.415 1.00 0.00 C ATOM 698 OE1 GLU A 42 -3.820 -11.364 5.879 1.00 0.00 O1- ATOM 699 OE2 GLU A 42 -5.570 -11.853 4.643 1.00 0.00 O ATOM 0 H GLU A 42 -4.370 -6.837 6.801 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.842 -8.108 7.267 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.996 -8.832 6.870 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.906 -9.987 7.823 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.664 -9.931 5.946 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.475 -9.063 4.995 1.00 0.00 H new ATOM 706 N GLU A 43 -4.918 -7.599 9.863 1.00 0.00 N ATOM 707 CA GLU A 43 -4.853 -7.645 11.319 1.00 0.00 C ATOM 708 C GLU A 43 -5.811 -6.636 11.943 1.00 0.00 C ATOM 709 O GLU A 43 -6.242 -6.801 13.084 1.00 0.00 O ATOM 710 CB GLU A 43 -3.426 -7.371 11.795 1.00 0.00 C ATOM 711 CG GLU A 43 -2.422 -8.421 11.346 1.00 0.00 C ATOM 712 CD GLU A 43 -1.500 -8.863 12.466 1.00 0.00 C ATOM 713 OE1 GLU A 43 -1.995 -9.467 13.439 1.00 0.00 O1- ATOM 714 OE2 GLU A 43 -0.282 -8.603 12.368 1.00 0.00 O ATOM 0 H GLU A 43 -4.153 -7.086 9.424 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.151 -8.644 11.637 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.109 -6.396 11.425 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.419 -7.316 12.884 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.957 -9.288 10.958 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.826 -8.021 10.526 1.00 0.00 H new ATOM 721 N LEU A 44 -6.141 -5.591 11.190 1.00 0.00 N ATOM 722 CA LEU A 44 -7.048 -4.556 11.673 1.00 0.00 C ATOM 723 C LEU A 44 -8.384 -5.157 12.102 1.00 0.00 C ATOM 724 O LEU A 44 -9.235 -5.462 11.268 1.00 0.00 O ATOM 725 CB LEU A 44 -7.269 -3.498 10.590 1.00 0.00 C ATOM 726 CG LEU A 44 -6.808 -2.088 10.962 1.00 0.00 C ATOM 727 CD1 LEU A 44 -6.473 -1.287 9.713 1.00 0.00 C ATOM 728 CD2 LEU A 44 -7.874 -1.381 11.783 1.00 0.00 C ATOM 0 H LEU A 44 -5.794 -5.439 10.243 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.592 -4.083 12.543 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.745 -3.809 9.687 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.331 -3.465 10.347 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.905 -2.169 11.567 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.147 -0.287 9.999 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.674 -1.786 9.164 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.357 -1.213 9.080 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.530 -0.379 12.040 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.794 -1.312 11.202 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.063 -1.945 12.697 1.00 0.00 H new ATOM 740 N GLY A 45 -8.557 -5.323 13.410 1.00 0.00 N ATOM 741 CA GLY A 45 -9.791 -5.886 13.928 1.00 0.00 C ATOM 742 C GLY A 45 -10.888 -4.849 14.066 1.00 0.00 C ATOM 743 O GLY A 45 -12.073 -5.177 13.995 1.00 0.00 O ATOM 0 H GLY A 45 -7.866 -5.078 14.119 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.130 -6.683 13.266 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -9.600 -6.340 14.900 1.00 0.00 H new ATOM 747 N GLY A 46 -10.495 -3.595 14.263 1.00 0.00 N ATOM 748 CA GLY A 46 -11.467 -2.527 14.408 1.00 0.00 C ATOM 749 C GLY A 46 -10.999 -1.441 15.356 1.00 0.00 C ATOM 750 O GLY A 46 -10.237 -1.704 16.286 1.00 0.00 O ATOM 0 H GLY A 46 -9.521 -3.299 14.325 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -11.669 -2.089 13.431 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -12.407 -2.942 14.772 1.00 0.00 H new ATOM 754 N GLY A 47 -11.457 -0.216 15.121 1.00 0.00 N ATOM 755 CA GLY A 47 -11.071 0.896 15.969 1.00 0.00 C ATOM 756 C GLY A 47 -10.703 2.132 15.170 1.00 0.00 C ATOM 757 O GLY A 47 -11.475 2.584 14.323 1.00 0.00 O ATOM 0 H GLY A 47 -12.089 0.026 14.358 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.891 1.135 16.646 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.223 0.601 16.587 1.00 0.00 H new ATOM 761 N GLY A 48 -9.523 2.679 15.440 1.00 0.00 N ATOM 762 CA GLY A 48 -9.074 3.863 14.732 1.00 0.00 C ATOM 763 C GLY A 48 -7.726 3.665 14.070 1.00 0.00 C ATOM 764 O GLY A 48 -6.885 4.565 14.074 1.00 0.00 O ATOM 0 H GLY A 48 -8.869 2.323 16.137 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -9.811 4.132 13.975 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.014 4.699 15.429 1.00 0.00 H new ATOM 768 N GLU A 49 -7.518 2.483 13.502 1.00 0.00 N ATOM 769 CA GLU A 49 -6.260 2.166 12.833 1.00 0.00 C ATOM 770 C GLU A 49 -6.446 2.079 11.320 1.00 0.00 C ATOM 771 O GLU A 49 -5.483 2.189 10.562 1.00 0.00 O ATOM 772 CB GLU A 49 -5.697 0.848 13.367 1.00 0.00 C ATOM 773 CG GLU A 49 -4.363 0.462 12.751 1.00 0.00 C ATOM 774 CD GLU A 49 -3.380 -0.072 13.775 1.00 0.00 C ATOM 775 OE1 GLU A 49 -2.896 0.726 14.604 1.00 0.00 O ATOM 776 OE2 GLU A 49 -3.097 -1.288 13.748 1.00 0.00 O1- ATOM 0 H GLU A 49 -8.203 1.728 13.491 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.555 2.970 13.043 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.580 0.924 14.448 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.418 0.052 13.180 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.527 -0.293 11.982 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.930 1.332 12.256 1.00 0.00 H new ATOM 783 N VAL A 50 -7.690 1.883 10.884 1.00 0.00 N ATOM 784 CA VAL A 50 -7.994 1.783 9.457 1.00 0.00 C ATOM 785 C VAL A 50 -7.463 2.992 8.692 1.00 0.00 C ATOM 786 O VAL A 50 -6.901 2.853 7.605 1.00 0.00 O ATOM 787 CB VAL A 50 -9.511 1.654 9.197 1.00 0.00 C ATOM 788 CG1 VAL A 50 -9.938 0.196 9.238 1.00 0.00 C ATOM 789 CG2 VAL A 50 -10.313 2.478 10.196 1.00 0.00 C ATOM 0 H VAL A 50 -8.501 1.791 11.496 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.498 0.880 9.101 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.716 2.046 8.201 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.010 0.125 9.053 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.400 -0.362 8.472 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.711 -0.222 10.219 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.377 2.367 9.988 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.103 2.129 11.207 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.034 3.528 10.109 1.00 0.00 H new ATOM 799 N LYS A 51 -7.643 4.175 9.267 1.00 0.00 N ATOM 800 CA LYS A 51 -7.181 5.409 8.639 1.00 0.00 C ATOM 801 C LYS A 51 -5.657 5.475 8.633 1.00 0.00 C ATOM 802 O LYS A 51 -5.054 6.057 7.731 1.00 0.00 O ATOM 803 CB LYS A 51 -7.757 6.633 9.357 1.00 0.00 C ATOM 804 CG LYS A 51 -7.798 6.497 10.872 1.00 0.00 C ATOM 805 CD LYS A 51 -9.171 6.055 11.352 1.00 0.00 C ATOM 806 CE LYS A 51 -10.095 7.243 11.570 1.00 0.00 C ATOM 807 NZ LYS A 51 -11.514 6.904 11.271 1.00 0.00 N1+ ATOM 0 H LYS A 51 -8.105 4.307 10.167 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.534 5.412 7.608 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.162 7.508 9.097 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.768 6.815 8.991 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.048 5.775 11.194 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.540 7.451 11.332 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.613 5.379 10.620 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.070 5.496 12.282 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.013 7.583 12.602 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.778 8.071 10.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.112 7.740 11.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.598 6.604 10.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.825 6.131 11.894 1.00 0.00 H new ATOM 821 N LYS A 52 -5.039 4.870 9.644 1.00 0.00 N ATOM 822 CA LYS A 52 -3.586 4.854 9.754 1.00 0.00 C ATOM 823 C LYS A 52 -2.965 4.073 8.600 1.00 0.00 C ATOM 824 O LYS A 52 -1.877 4.401 8.128 1.00 0.00 O ATOM 825 CB LYS A 52 -3.160 4.243 11.093 1.00 0.00 C ATOM 826 CG LYS A 52 -2.265 5.153 11.919 1.00 0.00 C ATOM 827 CD LYS A 52 -1.679 4.420 13.116 1.00 0.00 C ATOM 828 CE LYS A 52 -1.245 5.388 14.204 1.00 0.00 C ATOM 829 NZ LYS A 52 -2.252 5.482 15.297 1.00 0.00 N1+ ATOM 0 H LYS A 52 -5.524 4.384 10.399 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.229 5.883 9.706 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.051 4.000 11.672 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.637 3.305 10.905 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.458 5.536 11.294 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.838 6.014 12.263 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.419 3.727 13.518 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.825 3.824 12.796 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.290 5.065 14.617 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.087 6.375 13.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.919 6.152 16.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.157 5.815 14.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.384 4.545 15.729 1.00 0.00 H new ATOM 843 N VAL A 53 -3.667 3.035 8.154 1.00 0.00 N ATOM 844 CA VAL A 53 -3.193 2.198 7.058 1.00 0.00 C ATOM 845 C VAL A 53 -3.264 2.934 5.723 1.00 0.00 C ATOM 846 O VAL A 53 -2.379 2.790 4.886 1.00 0.00 O ATOM 847 CB VAL A 53 -4.009 0.893 6.958 1.00 0.00 C ATOM 848 CG1 VAL A 53 -3.487 0.012 5.831 1.00 0.00 C ATOM 849 CG2 VAL A 53 -3.984 0.148 8.284 1.00 0.00 C ATOM 0 H VAL A 53 -4.569 2.753 8.537 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.153 1.955 7.275 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.043 1.152 6.729 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.078 -0.902 5.780 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.565 0.547 4.885 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.444 -0.241 6.020 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.564 -0.770 8.196 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.954 -0.097 8.544 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.415 0.777 9.063 1.00 0.00 H new ATOM 859 N GLU A 54 -4.323 3.713 5.526 1.00 0.00 N ATOM 860 CA GLU A 54 -4.499 4.460 4.283 1.00 0.00 C ATOM 861 C GLU A 54 -3.336 5.422 4.050 1.00 0.00 C ATOM 862 O GLU A 54 -2.890 5.610 2.920 1.00 0.00 O ATOM 863 CB GLU A 54 -5.817 5.238 4.313 1.00 0.00 C ATOM 864 CG GLU A 54 -7.046 4.350 4.433 1.00 0.00 C ATOM 865 CD GLU A 54 -8.330 5.148 4.550 1.00 0.00 C ATOM 866 OE1 GLU A 54 -8.625 5.638 5.660 1.00 0.00 O ATOM 867 OE2 GLU A 54 -9.041 5.280 3.532 1.00 0.00 O1- ATOM 0 H GLU A 54 -5.070 3.844 6.208 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.523 3.743 3.462 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.799 5.934 5.151 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.898 5.835 3.404 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.105 3.698 3.562 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.941 3.706 5.306 1.00 0.00 H new ATOM 874 N GLU A 55 -2.854 6.027 5.128 1.00 0.00 N ATOM 875 CA GLU A 55 -1.743 6.972 5.053 1.00 0.00 C ATOM 876 C GLU A 55 -0.435 6.259 4.720 1.00 0.00 C ATOM 877 O GLU A 55 0.416 6.797 4.013 1.00 0.00 O ATOM 878 CB GLU A 55 -1.604 7.731 6.372 1.00 0.00 C ATOM 879 CG GLU A 55 -1.242 9.197 6.194 1.00 0.00 C ATOM 880 CD GLU A 55 0.184 9.392 5.719 1.00 0.00 C ATOM 881 OE1 GLU A 55 1.112 9.200 6.532 1.00 0.00 O ATOM 882 OE2 GLU A 55 0.373 9.737 4.533 1.00 0.00 O1- ATOM 0 H GLU A 55 -3.216 5.880 6.070 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.958 7.681 4.253 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.542 7.661 6.923 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.840 7.248 6.981 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.925 9.652 5.477 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.380 9.719 7.141 1.00 0.00 H new ATOM 889 N GLU A 56 -0.278 5.055 5.256 1.00 0.00 N ATOM 890 CA GLU A 56 0.931 4.264 5.046 1.00 0.00 C ATOM 891 C GLU A 56 1.183 3.998 3.564 1.00 0.00 C ATOM 892 O GLU A 56 2.319 4.074 3.096 1.00 0.00 O ATOM 893 CB GLU A 56 0.806 2.936 5.796 1.00 0.00 C ATOM 894 CG GLU A 56 1.393 2.969 7.196 1.00 0.00 C ATOM 895 CD GLU A 56 2.866 2.608 7.220 1.00 0.00 C ATOM 896 OE1 GLU A 56 3.181 1.405 7.334 1.00 0.00 O ATOM 897 OE2 GLU A 56 3.705 3.530 7.124 1.00 0.00 O1- ATOM 0 H GLU A 56 -0.977 4.601 5.844 1.00 0.00 H new ATOM 0 HA GLU A 56 1.778 4.833 5.429 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.247 2.662 5.859 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.304 2.156 5.221 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.260 3.965 7.618 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.843 2.277 7.833 1.00 0.00 H new ATOM 904 N VAL A 57 0.124 3.681 2.831 1.00 0.00 N ATOM 905 CA VAL A 57 0.233 3.399 1.406 1.00 0.00 C ATOM 906 C VAL A 57 0.507 4.672 0.606 1.00 0.00 C ATOM 907 O VAL A 57 1.229 4.648 -0.389 1.00 0.00 O ATOM 908 CB VAL A 57 -1.030 2.693 0.863 1.00 0.00 C ATOM 909 CG1 VAL A 57 -2.127 3.693 0.522 1.00 0.00 C ATOM 910 CG2 VAL A 57 -0.677 1.843 -0.349 1.00 0.00 C ATOM 0 H VAL A 57 -0.824 3.613 3.202 1.00 0.00 H new ATOM 0 HA VAL A 57 1.079 2.723 1.283 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.416 2.042 1.648 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.000 3.161 0.143 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.402 4.250 1.417 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.765 4.385 -0.239 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.575 1.351 -0.722 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.260 2.479 -1.130 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.058 1.090 -0.064 1.00 0.00 H new ATOM 920 N LYS A 58 -0.080 5.781 1.048 1.00 0.00 N ATOM 921 CA LYS A 58 0.095 7.065 0.374 1.00 0.00 C ATOM 922 C LYS A 58 1.576 7.402 0.231 1.00 0.00 C ATOM 923 O LYS A 58 1.992 8.021 -0.746 1.00 0.00 O ATOM 924 CB LYS A 58 -0.625 8.173 1.148 1.00 0.00 C ATOM 925 CG LYS A 58 -1.919 8.627 0.494 1.00 0.00 C ATOM 926 CD LYS A 58 -1.667 9.699 -0.553 1.00 0.00 C ATOM 927 CE LYS A 58 -2.682 9.625 -1.681 1.00 0.00 C ATOM 928 NZ LYS A 58 -2.975 10.968 -2.253 1.00 0.00 N1+ ATOM 0 H LYS A 58 -0.682 5.817 1.871 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.340 6.990 -0.623 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.841 7.819 2.156 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.043 9.029 1.247 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.413 7.773 0.030 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.597 9.013 1.255 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.712 10.683 -0.086 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.662 9.584 -0.958 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.305 8.970 -2.467 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.605 9.179 -1.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.672 10.874 -3.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.359 11.586 -1.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.099 11.383 -2.630 1.00 0.00 H new ATOM 942 N LYS A 59 2.365 6.990 1.211 1.00 0.00 N ATOM 943 CA LYS A 59 3.800 7.240 1.192 1.00 0.00 C ATOM 944 C LYS A 59 4.481 6.435 0.085 1.00 0.00 C ATOM 945 O LYS A 59 5.424 6.908 -0.549 1.00 0.00 O ATOM 946 CB LYS A 59 4.417 6.889 2.549 1.00 0.00 C ATOM 947 CG LYS A 59 3.710 7.542 3.725 1.00 0.00 C ATOM 948 CD LYS A 59 4.189 6.973 5.050 1.00 0.00 C ATOM 949 CE LYS A 59 3.613 7.743 6.228 1.00 0.00 C ATOM 950 NZ LYS A 59 4.607 7.903 7.326 1.00 0.00 N1+ ATOM 0 H LYS A 59 2.036 6.480 2.031 1.00 0.00 H new ATOM 0 HA LYS A 59 3.956 8.300 0.992 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.397 5.807 2.679 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.464 7.191 2.552 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.886 8.617 3.705 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.634 7.393 3.632 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.900 5.925 5.123 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.278 7.007 5.089 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.281 8.726 5.892 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.734 7.222 6.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.176 8.433 8.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.905 6.966 7.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.435 8.422 6.971 1.00 0.00 H new ATOM 964 N LEU A 60 4.009 5.208 -0.124 1.00 0.00 N ATOM 965 CA LEU A 60 4.580 4.318 -1.135 1.00 0.00 C ATOM 966 C LEU A 60 4.518 4.920 -2.539 1.00 0.00 C ATOM 967 O LEU A 60 5.495 4.865 -3.285 1.00 0.00 O ATOM 968 CB LEU A 60 3.846 2.976 -1.120 1.00 0.00 C ATOM 969 CG LEU A 60 4.722 1.751 -1.396 1.00 0.00 C ATOM 970 CD1 LEU A 60 5.432 1.893 -2.733 1.00 0.00 C ATOM 971 CD2 LEU A 60 5.728 1.553 -0.273 1.00 0.00 C ATOM 0 H LEU A 60 3.229 4.805 0.395 1.00 0.00 H new ATOM 0 HA LEU A 60 5.631 4.174 -0.884 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.370 2.851 -0.147 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.049 3.008 -1.863 1.00 0.00 H new ATOM 0 HG LEU A 60 4.081 0.871 -1.441 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.050 1.013 -2.912 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.693 1.986 -3.529 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.062 2.782 -2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.343 0.678 -0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.365 2.434 -0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.198 1.405 0.668 1.00 0.00 H new ATOM 983 N GLU A 61 3.371 5.486 -2.900 1.00 0.00 N ATOM 984 CA GLU A 61 3.202 6.084 -4.224 1.00 0.00 C ATOM 985 C GLU A 61 4.061 7.336 -4.371 1.00 0.00 C ATOM 986 O GLU A 61 4.563 7.629 -5.454 1.00 0.00 O ATOM 987 CB GLU A 61 1.731 6.413 -4.495 1.00 0.00 C ATOM 988 CG GLU A 61 1.056 7.183 -3.374 1.00 0.00 C ATOM 989 CD GLU A 61 0.840 8.644 -3.717 1.00 0.00 C ATOM 990 OE1 GLU A 61 0.464 8.934 -4.872 1.00 0.00 O1- ATOM 991 OE2 GLU A 61 1.048 9.499 -2.830 1.00 0.00 O ATOM 0 H GLU A 61 2.548 5.544 -2.300 1.00 0.00 H new ATOM 0 HA GLU A 61 3.531 5.352 -4.962 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.662 6.994 -5.414 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.186 5.484 -4.664 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.095 6.721 -3.148 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.664 7.112 -2.472 1.00 0.00 H new ATOM 998 N GLU A 62 4.229 8.066 -3.274 1.00 0.00 N ATOM 999 CA GLU A 62 5.034 9.284 -3.281 1.00 0.00 C ATOM 1000 C GLU A 62 6.446 8.986 -3.769 1.00 0.00 C ATOM 1001 O GLU A 62 7.057 9.788 -4.473 1.00 0.00 O ATOM 1002 CB GLU A 62 5.084 9.898 -1.880 1.00 0.00 C ATOM 1003 CG GLU A 62 3.833 10.678 -1.512 1.00 0.00 C ATOM 1004 CD GLU A 62 3.822 12.075 -2.104 1.00 0.00 C ATOM 1005 OE1 GLU A 62 4.830 12.795 -1.943 1.00 0.00 O1- ATOM 1006 OE2 GLU A 62 2.807 12.448 -2.727 1.00 0.00 O ATOM 0 H GLU A 62 3.819 7.837 -2.369 1.00 0.00 H new ATOM 0 HA GLU A 62 4.571 9.998 -3.962 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.234 9.103 -1.149 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.947 10.560 -1.813 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.955 10.134 -1.858 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.758 10.747 -0.427 1.00 0.00 H new ATOM 1013 N GLU A 63 6.955 7.821 -3.389 1.00 0.00 N ATOM 1014 CA GLU A 63 8.290 7.397 -3.786 1.00 0.00 C ATOM 1015 C GLU A 63 8.320 7.029 -5.265 1.00 0.00 C ATOM 1016 O GLU A 63 9.336 7.203 -5.940 1.00 0.00 O ATOM 1017 CB GLU A 63 8.748 6.204 -2.944 1.00 0.00 C ATOM 1018 CG GLU A 63 8.506 6.381 -1.455 1.00 0.00 C ATOM 1019 CD GLU A 63 9.452 7.385 -0.826 1.00 0.00 C ATOM 1020 OE1 GLU A 63 10.624 7.027 -0.584 1.00 0.00 O ATOM 1021 OE2 GLU A 63 9.021 8.531 -0.573 1.00 0.00 O1- ATOM 0 H GLU A 63 6.459 7.150 -2.803 1.00 0.00 H new ATOM 0 HA GLU A 63 8.973 8.230 -3.618 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.227 5.309 -3.284 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.812 6.038 -3.113 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.478 6.706 -1.294 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.619 5.419 -0.955 1.00 0.00 H new ATOM 1028 N ILE A 64 7.204 6.501 -5.757 1.00 0.00 N ATOM 1029 CA ILE A 64 7.102 6.084 -7.154 1.00 0.00 C ATOM 1030 C ILE A 64 7.413 7.232 -8.115 1.00 0.00 C ATOM 1031 O ILE A 64 8.173 7.060 -9.068 1.00 0.00 O ATOM 1032 CB ILE A 64 5.697 5.530 -7.474 1.00 0.00 C ATOM 1033 CG1 ILE A 64 5.349 4.381 -6.525 1.00 0.00 C ATOM 1034 CG2 ILE A 64 5.623 5.068 -8.924 1.00 0.00 C ATOM 1035 CD1 ILE A 64 3.989 3.770 -6.782 1.00 0.00 C ATOM 0 H ILE A 64 6.356 6.351 -5.210 1.00 0.00 H new ATOM 0 HA ILE A 64 7.843 5.297 -7.294 1.00 0.00 H new ATOM 0 HB ILE A 64 4.969 6.328 -7.331 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.109 3.605 -6.615 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.385 4.746 -5.498 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.626 4.681 -9.132 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.830 5.909 -9.585 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.360 4.283 -9.094 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.813 2.963 -6.071 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.219 4.533 -6.663 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.954 3.374 -7.797 1.00 0.00 H new ATOM 1047 N LYS A 65 6.823 8.397 -7.871 1.00 0.00 N ATOM 1048 CA LYS A 65 7.050 9.554 -8.730 1.00 0.00 C ATOM 1049 C LYS A 65 8.479 10.073 -8.589 1.00 0.00 C ATOM 1050 O LYS A 65 9.006 10.722 -9.492 1.00 0.00 O ATOM 1051 CB LYS A 65 6.046 10.666 -8.413 1.00 0.00 C ATOM 1052 CG LYS A 65 6.330 11.404 -7.115 1.00 0.00 C ATOM 1053 CD LYS A 65 5.078 12.061 -6.558 1.00 0.00 C ATOM 1054 CE LYS A 65 3.996 11.036 -6.255 1.00 0.00 C ATOM 1055 NZ LYS A 65 3.085 11.494 -5.170 1.00 0.00 N1+ ATOM 0 H LYS A 65 6.188 8.565 -7.091 1.00 0.00 H new ATOM 0 HA LYS A 65 6.905 9.237 -9.763 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.043 11.383 -9.234 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.046 10.235 -8.363 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.733 10.707 -6.380 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.094 12.163 -7.287 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.327 12.608 -5.649 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.699 12.790 -7.275 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.417 10.842 -7.158 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.460 10.093 -5.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.709 10.669 -4.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.611 12.099 -4.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.298 12.034 -5.583 1.00 0.00 H new ATOM 1069 N LYS A 66 9.104 9.779 -7.452 1.00 0.00 N ATOM 1070 CA LYS A 66 10.473 10.215 -7.201 1.00 0.00 C ATOM 1071 C LYS A 66 11.468 9.392 -8.015 1.00 0.00 C ATOM 1072 O LYS A 66 12.590 9.832 -8.268 1.00 0.00 O ATOM 1073 CB LYS A 66 10.801 10.099 -5.710 1.00 0.00 C ATOM 1074 CG LYS A 66 10.144 11.174 -4.857 1.00 0.00 C ATOM 1075 CD LYS A 66 11.176 12.076 -4.199 1.00 0.00 C ATOM 1076 CE LYS A 66 11.383 13.357 -4.993 1.00 0.00 C ATOM 1077 NZ LYS A 66 12.451 14.211 -4.402 1.00 0.00 N1+ ATOM 0 H LYS A 66 8.685 9.242 -6.692 1.00 0.00 H new ATOM 0 HA LYS A 66 10.556 11.258 -7.507 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.485 9.119 -5.352 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.882 10.153 -5.579 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.478 11.774 -5.477 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.528 10.704 -4.090 1.00 0.00 H new ATOM 0 HD2 LYS A 66 10.854 12.322 -3.187 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.123 11.544 -4.111 1.00 0.00 H new ATOM 0 HE2 LYS A 66 11.645 13.108 -6.021 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.449 13.917 -5.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 12.561 15.074 -4.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 12.190 14.470 -3.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 13.349 13.686 -4.391 1.00 0.00 H new ATOM 1091 N LEU A 67 11.054 8.196 -8.423 1.00 0.00 N ATOM 1092 CA LEU A 67 11.913 7.316 -9.207 1.00 0.00 C ATOM 1093 C LEU A 67 11.604 7.437 -10.697 1.00 0.00 C ATOM 1094 O LEU A 67 10.535 7.986 -11.036 1.00 0.00 O ATOM 1095 CB LEU A 67 11.754 5.862 -8.741 1.00 0.00 C ATOM 1096 CG LEU A 67 10.632 5.066 -9.416 1.00 0.00 C ATOM 1097 CD1 LEU A 67 11.154 4.348 -10.651 1.00 0.00 C ATOM 1098 CD2 LEU A 67 10.020 4.074 -8.438 1.00 0.00 C ATOM 1099 OXT LEU A 67 12.433 6.981 -11.512 1.00 0.00 O ATOM 0 H LEU A 67 10.129 7.815 -8.224 1.00 0.00 H new ATOM 0 HA LEU A 67 12.948 7.622 -9.051 1.00 0.00 H new ATOM 0 HB2 LEU A 67 12.696 5.341 -8.910 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.578 5.862 -7.665 1.00 0.00 H new ATOM 0 HG LEU A 67 9.855 5.764 -9.729 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.343 3.788 -11.117 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.544 5.079 -11.359 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.950 3.661 -10.363 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.225 3.517 -8.934 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.788 3.381 -8.094 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.608 4.612 -7.584 1.00 0.00 H new