USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 582 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 5 LYS NZ :NH3+ -157:sc= -0.0285 (180deg=-0.275) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 169:sc= 0.0508 (180deg=0.0303) 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+ -124:sc= -0.775 (180deg=-2.87!) 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 152:sc= -11.1! USER MOD Single : A 38 LYS NZ :NH3+ -155:sc= 0.773 (180deg=0.53) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.00632) USER MOD Single : A 52 LYS NZ :NH3+ -113:sc= 0 (180deg=-1.02) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.736 -5.904 9.553 1.00 0.00 N ATOM 2 CA GLY A 1 -14.942 -5.333 8.430 1.00 0.00 C ATOM 3 C GLY A 1 -15.639 -4.164 7.762 1.00 0.00 C ATOM 4 O GLY A 1 -15.655 -3.055 8.294 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.217 -6.700 9.976 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.894 -5.171 10.274 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.652 -6.240 9.194 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.971 -5.008 8.804 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.754 -6.111 7.690 1.00 0.00 H new ATOM 10 N SER A 2 -16.217 -4.415 6.590 1.00 0.00 N ATOM 11 CA SER A 2 -16.921 -3.378 5.843 1.00 0.00 C ATOM 12 C SER A 2 -15.962 -2.277 5.398 1.00 0.00 C ATOM 13 O SER A 2 -15.554 -2.229 4.238 1.00 0.00 O ATOM 14 CB SER A 2 -18.047 -2.781 6.691 1.00 0.00 C ATOM 15 OG SER A 2 -19.291 -3.392 6.391 1.00 0.00 O ATOM 0 H SER A 2 -16.211 -5.329 6.137 1.00 0.00 H new ATOM 0 HA SER A 2 -17.352 -3.838 4.954 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.819 -2.913 7.749 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.112 -1.708 6.511 1.00 0.00 H new ATOM 0 HG SER A 2 -19.993 -2.994 6.947 1.00 0.00 H new ATOM 21 N ARG A 3 -15.605 -1.396 6.326 1.00 0.00 N ATOM 22 CA ARG A 3 -14.695 -0.297 6.026 1.00 0.00 C ATOM 23 C ARG A 3 -13.253 -0.789 5.947 1.00 0.00 C ATOM 24 O ARG A 3 -12.446 -0.254 5.190 1.00 0.00 O ATOM 25 CB ARG A 3 -14.817 0.800 7.085 1.00 0.00 C ATOM 26 CG ARG A 3 -14.368 0.364 8.470 1.00 0.00 C ATOM 27 CD ARG A 3 -13.065 1.035 8.877 1.00 0.00 C ATOM 28 NE ARG A 3 -13.281 2.110 9.844 1.00 0.00 N ATOM 29 CZ ARG A 3 -13.412 3.396 9.518 1.00 0.00 C ATOM 30 NH1 ARG A 3 -13.346 3.783 8.249 1.00 0.00 N1+ ATOM 31 NH2 ARG A 3 -13.613 4.299 10.466 1.00 0.00 N ATOM 0 H ARG A 3 -15.932 -1.421 7.292 1.00 0.00 H new ATOM 0 HA ARG A 3 -14.972 0.115 5.055 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -14.224 1.660 6.774 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -15.855 1.130 7.136 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -15.144 0.605 9.197 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.241 -0.718 8.487 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -12.393 0.292 9.306 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -12.572 1.437 7.992 1.00 0.00 H new ATOM 0 HE ARG A 3 -13.335 1.860 10.831 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -13.194 3.094 7.513 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -13.448 4.770 8.011 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -13.667 4.010 11.443 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -13.714 5.284 10.219 1.00 0.00 H new ATOM 45 N VAL A 4 -12.938 -1.813 6.734 1.00 0.00 N ATOM 46 CA VAL A 4 -11.594 -2.377 6.752 1.00 0.00 C ATOM 47 C VAL A 4 -11.313 -3.163 5.474 1.00 0.00 C ATOM 48 O VAL A 4 -10.247 -3.027 4.873 1.00 0.00 O ATOM 49 CB VAL A 4 -11.389 -3.302 7.966 1.00 0.00 C ATOM 50 CG1 VAL A 4 -9.948 -3.784 8.036 1.00 0.00 C ATOM 51 CG2 VAL A 4 -11.782 -2.590 9.252 1.00 0.00 C ATOM 0 H VAL A 4 -13.595 -2.269 7.367 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.899 -1.540 6.822 1.00 0.00 H new ATOM 0 HB VAL A 4 -12.033 -4.173 7.847 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.824 -4.436 8.901 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.704 -4.335 7.128 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.282 -2.927 8.130 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -11.631 -3.259 10.099 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.166 -1.700 9.378 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -12.832 -2.301 9.201 1.00 0.00 H new ATOM 61 N LYS A 5 -12.274 -3.985 5.062 1.00 0.00 N ATOM 62 CA LYS A 5 -12.121 -4.787 3.853 1.00 0.00 C ATOM 63 C LYS A 5 -11.949 -3.889 2.634 1.00 0.00 C ATOM 64 O LYS A 5 -11.081 -4.122 1.798 1.00 0.00 O ATOM 65 CB LYS A 5 -13.324 -5.712 3.662 1.00 0.00 C ATOM 66 CG LYS A 5 -13.370 -6.381 2.295 1.00 0.00 C ATOM 67 CD LYS A 5 -12.063 -7.085 1.975 1.00 0.00 C ATOM 68 CE LYS A 5 -12.297 -8.374 1.204 1.00 0.00 C ATOM 69 NZ LYS A 5 -12.961 -9.410 2.042 1.00 0.00 N1+ ATOM 0 H LYS A 5 -13.163 -4.113 5.545 1.00 0.00 H new ATOM 0 HA LYS A 5 -11.227 -5.401 3.963 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -13.305 -6.482 4.433 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -14.239 -5.138 3.807 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -14.188 -7.101 2.269 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.578 -5.633 1.530 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.425 -6.422 1.391 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.531 -7.305 2.901 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.912 -8.167 0.328 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.344 -8.758 0.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.761 -10.353 1.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -12.599 -9.354 3.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -13.988 -9.248 2.045 1.00 0.00 H new ATOM 83 N ALA A 6 -12.777 -2.854 2.545 1.00 0.00 N ATOM 84 CA ALA A 6 -12.706 -1.917 1.433 1.00 0.00 C ATOM 85 C ALA A 6 -11.310 -1.315 1.343 1.00 0.00 C ATOM 86 O ALA A 6 -10.794 -1.063 0.256 1.00 0.00 O ATOM 87 CB ALA A 6 -13.751 -0.826 1.593 1.00 0.00 C ATOM 0 H ALA A 6 -13.504 -2.644 3.229 1.00 0.00 H new ATOM 0 HA ALA A 6 -12.912 -2.454 0.507 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.685 -0.133 0.754 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.744 -1.274 1.617 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.574 -0.287 2.523 1.00 0.00 H new ATOM 93 N LEU A 7 -10.708 -1.099 2.506 1.00 0.00 N ATOM 94 CA LEU A 7 -9.365 -0.540 2.596 1.00 0.00 C ATOM 95 C LEU A 7 -8.363 -1.421 1.858 1.00 0.00 C ATOM 96 O LEU A 7 -7.453 -0.927 1.195 1.00 0.00 O ATOM 97 CB LEU A 7 -8.963 -0.419 4.065 1.00 0.00 C ATOM 98 CG LEU A 7 -8.176 0.838 4.427 1.00 0.00 C ATOM 99 CD1 LEU A 7 -6.883 0.908 3.630 1.00 0.00 C ATOM 100 CD2 LEU A 7 -9.019 2.083 4.196 1.00 0.00 C ATOM 0 H LEU A 7 -11.135 -1.305 3.409 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.364 0.446 2.131 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.866 -0.450 4.675 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.366 -1.291 4.334 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.922 0.790 5.486 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.336 1.811 3.902 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.272 0.033 3.851 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.113 0.930 2.565 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.440 2.968 4.460 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.307 2.138 3.146 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.914 2.037 4.816 1.00 0.00 H new ATOM 112 N GLU A 8 -8.536 -2.731 1.991 1.00 0.00 N ATOM 113 CA GLU A 8 -7.649 -3.696 1.351 1.00 0.00 C ATOM 114 C GLU A 8 -7.773 -3.649 -0.173 1.00 0.00 C ATOM 115 O GLU A 8 -6.807 -3.912 -0.889 1.00 0.00 O ATOM 116 CB GLU A 8 -7.946 -5.112 1.871 1.00 0.00 C ATOM 117 CG GLU A 8 -8.954 -5.894 1.036 1.00 0.00 C ATOM 118 CD GLU A 8 -8.299 -6.670 -0.089 1.00 0.00 C ATOM 119 OE1 GLU A 8 -7.150 -6.340 -0.448 1.00 0.00 O ATOM 120 OE2 GLU A 8 -8.935 -7.610 -0.611 1.00 0.00 O1- ATOM 0 H GLU A 8 -9.287 -3.151 2.539 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.623 -3.430 1.606 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -7.013 -5.674 1.911 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.318 -5.039 2.893 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.497 -6.585 1.681 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.687 -5.204 0.618 1.00 0.00 H new ATOM 127 N GLU A 9 -8.967 -3.334 -0.659 1.00 0.00 N ATOM 128 CA GLU A 9 -9.222 -3.273 -2.096 1.00 0.00 C ATOM 129 C GLU A 9 -8.464 -2.129 -2.768 1.00 0.00 C ATOM 130 O GLU A 9 -7.991 -2.270 -3.893 1.00 0.00 O ATOM 131 CB GLU A 9 -10.722 -3.122 -2.360 1.00 0.00 C ATOM 132 CG GLU A 9 -11.565 -4.215 -1.724 1.00 0.00 C ATOM 133 CD GLU A 9 -12.980 -4.251 -2.270 1.00 0.00 C ATOM 134 OE1 GLU A 9 -13.779 -3.363 -1.907 1.00 0.00 O1- ATOM 135 OE2 GLU A 9 -13.288 -5.167 -3.060 1.00 0.00 O ATOM 0 H GLU A 9 -9.777 -3.116 -0.079 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.863 -4.208 -2.527 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.053 -2.154 -1.984 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.895 -3.121 -3.436 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.089 -5.181 -1.893 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.599 -4.061 -0.645 1.00 0.00 H new ATOM 142 N LYS A 10 -8.375 -0.992 -2.088 1.00 0.00 N ATOM 143 CA LYS A 10 -7.695 0.182 -2.633 1.00 0.00 C ATOM 144 C LYS A 10 -6.175 0.007 -2.662 1.00 0.00 C ATOM 145 O LYS A 10 -5.501 0.507 -3.563 1.00 0.00 O ATOM 146 CB LYS A 10 -8.059 1.426 -1.819 1.00 0.00 C ATOM 147 CG LYS A 10 -7.691 1.323 -0.347 1.00 0.00 C ATOM 148 CD LYS A 10 -7.570 2.696 0.294 1.00 0.00 C ATOM 149 CE LYS A 10 -6.456 3.510 -0.343 1.00 0.00 C ATOM 150 NZ LYS A 10 -5.848 4.468 0.621 1.00 0.00 N1+ ATOM 0 H LYS A 10 -8.766 -0.856 -1.156 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.032 0.304 -3.662 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.556 2.292 -2.250 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.131 1.605 -1.905 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.448 0.740 0.178 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.747 0.787 -0.243 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.515 3.230 0.195 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.377 2.585 1.361 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.686 2.838 -0.721 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.850 4.057 -1.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.093 5.004 0.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.577 5.126 0.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.449 3.944 1.426 1.00 0.00 H new ATOM 164 N VAL A 11 -5.641 -0.683 -1.662 1.00 0.00 N ATOM 165 CA VAL A 11 -4.201 -0.903 -1.557 1.00 0.00 C ATOM 166 C VAL A 11 -3.661 -1.757 -2.704 1.00 0.00 C ATOM 167 O VAL A 11 -2.603 -1.465 -3.263 1.00 0.00 O ATOM 168 CB VAL A 11 -3.845 -1.580 -0.218 1.00 0.00 C ATOM 169 CG1 VAL A 11 -2.338 -1.711 -0.057 1.00 0.00 C ATOM 170 CG2 VAL A 11 -4.448 -0.806 0.946 1.00 0.00 C ATOM 0 H VAL A 11 -6.185 -1.102 -0.908 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.734 0.081 -1.610 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.269 -2.584 -0.220 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.114 -2.192 0.895 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.936 -2.314 -0.871 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.882 -0.721 -0.080 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.187 -1.297 1.884 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.057 0.211 0.948 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.533 -0.777 0.841 1.00 0.00 H new ATOM 180 N LYS A 12 -4.384 -2.817 -3.039 1.00 0.00 N ATOM 181 CA LYS A 12 -3.974 -3.723 -4.107 1.00 0.00 C ATOM 182 C LYS A 12 -4.077 -3.059 -5.469 1.00 0.00 C ATOM 183 O LYS A 12 -3.232 -3.269 -6.338 1.00 0.00 O ATOM 184 CB LYS A 12 -4.813 -4.997 -4.083 1.00 0.00 C ATOM 185 CG LYS A 12 -4.097 -6.202 -4.670 1.00 0.00 C ATOM 186 CD LYS A 12 -4.728 -7.500 -4.198 1.00 0.00 C ATOM 187 CE LYS A 12 -4.104 -7.985 -2.899 1.00 0.00 C ATOM 188 NZ LYS A 12 -5.131 -8.476 -1.939 1.00 0.00 N1+ ATOM 0 H LYS A 12 -5.261 -3.073 -2.585 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.930 -3.982 -3.934 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.096 -5.218 -3.054 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.736 -4.826 -4.638 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.130 -6.153 -5.758 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.046 -6.180 -4.382 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.799 -7.354 -4.056 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.610 -8.264 -4.967 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.395 -8.785 -3.113 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.539 -7.173 -2.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.663 -8.966 -1.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.676 -7.670 -1.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.772 -9.135 -2.424 1.00 0.00 H new ATOM 202 N ALA A 13 -5.112 -2.253 -5.653 1.00 0.00 N ATOM 203 CA ALA A 13 -5.306 -1.560 -6.916 1.00 0.00 C ATOM 204 C ALA A 13 -4.074 -0.731 -7.235 1.00 0.00 C ATOM 205 O ALA A 13 -3.655 -0.634 -8.389 1.00 0.00 O ATOM 206 CB ALA A 13 -6.546 -0.680 -6.857 1.00 0.00 C ATOM 0 H ALA A 13 -5.825 -2.064 -4.949 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.453 -2.295 -7.708 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.675 -0.169 -7.811 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.421 -1.298 -6.655 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.431 0.058 -6.063 1.00 0.00 H new ATOM 212 N LEU A 14 -3.480 -0.160 -6.193 1.00 0.00 N ATOM 213 CA LEU A 14 -2.269 0.634 -6.354 1.00 0.00 C ATOM 214 C LEU A 14 -1.090 -0.265 -6.697 1.00 0.00 C ATOM 215 O LEU A 14 -0.162 0.143 -7.382 1.00 0.00 O ATOM 216 CB LEU A 14 -1.962 1.437 -5.093 1.00 0.00 C ATOM 217 CG LEU A 14 -1.109 2.685 -5.330 1.00 0.00 C ATOM 218 CD1 LEU A 14 -1.398 3.743 -4.277 1.00 0.00 C ATOM 219 CD2 LEU A 14 0.372 2.327 -5.345 1.00 0.00 C ATOM 0 H LEU A 14 -3.816 -0.232 -5.233 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.435 1.335 -7.172 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.902 1.737 -4.630 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.448 0.791 -4.381 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.370 3.098 -6.304 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.781 4.621 -4.465 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.451 4.023 -4.322 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.170 3.344 -3.288 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.962 3.227 -5.515 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.650 1.886 -4.387 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.565 1.611 -6.144 1.00 0.00 H new ATOM 231 N GLU A 15 -1.133 -1.493 -6.196 1.00 0.00 N ATOM 232 CA GLU A 15 -0.071 -2.464 -6.429 1.00 0.00 C ATOM 233 C GLU A 15 0.176 -2.678 -7.921 1.00 0.00 C ATOM 234 O GLU A 15 1.315 -2.831 -8.360 1.00 0.00 O ATOM 235 CB GLU A 15 -0.441 -3.793 -5.774 1.00 0.00 C ATOM 236 CG GLU A 15 0.684 -4.806 -5.779 1.00 0.00 C ATOM 237 CD GLU A 15 0.317 -6.090 -6.498 1.00 0.00 C ATOM 238 OE1 GLU A 15 0.153 -6.051 -7.736 1.00 0.00 O1- ATOM 239 OE2 GLU A 15 0.192 -7.133 -5.823 1.00 0.00 O ATOM 0 H GLU A 15 -1.899 -1.843 -5.621 1.00 0.00 H new ATOM 0 HA GLU A 15 0.847 -2.074 -5.989 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.747 -3.608 -4.744 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.302 -4.216 -6.292 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.560 -4.366 -6.255 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.962 -5.038 -4.751 1.00 0.00 H new ATOM 246 N GLU A 16 -0.905 -2.699 -8.686 1.00 0.00 N ATOM 247 CA GLU A 16 -0.840 -2.907 -10.131 1.00 0.00 C ATOM 248 C GLU A 16 -0.145 -1.749 -10.834 1.00 0.00 C ATOM 249 O GLU A 16 0.551 -1.946 -11.827 1.00 0.00 O ATOM 250 CB GLU A 16 -2.248 -3.091 -10.702 1.00 0.00 C ATOM 251 CG GLU A 16 -2.944 -4.349 -10.210 1.00 0.00 C ATOM 252 CD GLU A 16 -4.136 -4.730 -11.066 1.00 0.00 C ATOM 253 OE1 GLU A 16 -4.051 -4.577 -12.303 1.00 0.00 O1- ATOM 254 OE2 GLU A 16 -5.154 -5.181 -10.501 1.00 0.00 O ATOM 0 H GLU A 16 -1.851 -2.573 -8.327 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.255 -3.809 -10.309 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.854 -2.224 -10.439 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.189 -3.120 -11.790 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.231 -5.173 -10.199 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.273 -4.199 -9.182 1.00 0.00 H new ATOM 261 N LYS A 17 -0.344 -0.542 -10.320 1.00 0.00 N ATOM 262 CA LYS A 17 0.264 0.646 -10.906 1.00 0.00 C ATOM 263 C LYS A 17 1.780 0.637 -10.712 1.00 0.00 C ATOM 264 O LYS A 17 2.523 1.189 -11.523 1.00 0.00 O ATOM 265 CB LYS A 17 -0.356 1.925 -10.317 1.00 0.00 C ATOM 266 CG LYS A 17 0.111 2.266 -8.909 1.00 0.00 C ATOM 267 CD LYS A 17 0.566 3.714 -8.801 1.00 0.00 C ATOM 268 CE LYS A 17 -0.512 4.682 -9.268 1.00 0.00 C ATOM 269 NZ LYS A 17 -0.989 5.558 -8.162 1.00 0.00 N1+ ATOM 0 H LYS A 17 -0.921 -0.360 -9.499 1.00 0.00 H new ATOM 0 HA LYS A 17 0.062 0.634 -11.977 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.123 2.762 -10.975 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.441 1.817 -10.310 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.700 2.086 -8.203 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.931 1.605 -8.628 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.830 3.936 -7.767 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.467 3.857 -9.398 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.120 5.299 -10.077 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.353 4.120 -9.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.722 6.202 -8.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -1.386 4.971 -7.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.192 6.113 -7.791 1.00 0.00 H new ATOM 283 N VAL A 18 2.229 0.018 -9.623 1.00 0.00 N ATOM 284 CA VAL A 18 3.655 -0.050 -9.309 1.00 0.00 C ATOM 285 C VAL A 18 4.411 -0.953 -10.280 1.00 0.00 C ATOM 286 O VAL A 18 5.479 -0.591 -10.772 1.00 0.00 O ATOM 287 CB VAL A 18 3.881 -0.560 -7.871 1.00 0.00 C ATOM 288 CG1 VAL A 18 5.357 -0.499 -7.505 1.00 0.00 C ATOM 289 CG2 VAL A 18 3.046 0.238 -6.882 1.00 0.00 C ATOM 0 H VAL A 18 1.626 -0.444 -8.942 1.00 0.00 H new ATOM 0 HA VAL A 18 4.042 0.965 -9.403 1.00 0.00 H new ATOM 0 HB VAL A 18 3.562 -1.601 -7.823 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.495 -0.863 -6.487 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.929 -1.121 -8.193 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.706 0.531 -7.572 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.220 -0.137 -5.873 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.329 1.289 -6.932 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.990 0.135 -7.131 1.00 0.00 H new ATOM 299 N LYS A 19 3.860 -2.131 -10.548 1.00 0.00 N ATOM 300 CA LYS A 19 4.493 -3.084 -11.455 1.00 0.00 C ATOM 301 C LYS A 19 4.441 -2.596 -12.901 1.00 0.00 C ATOM 302 O LYS A 19 5.240 -3.020 -13.737 1.00 0.00 O ATOM 303 CB LYS A 19 3.818 -4.452 -11.341 1.00 0.00 C ATOM 304 CG LYS A 19 2.382 -4.468 -11.846 1.00 0.00 C ATOM 305 CD LYS A 19 2.201 -5.434 -13.008 1.00 0.00 C ATOM 306 CE LYS A 19 1.870 -4.701 -14.299 1.00 0.00 C ATOM 307 NZ LYS A 19 1.998 -5.585 -15.490 1.00 0.00 N1+ ATOM 0 H LYS A 19 2.976 -2.450 -10.151 1.00 0.00 H new ATOM 0 HA LYS A 19 5.540 -3.174 -11.166 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.400 -5.183 -11.903 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.831 -4.768 -10.298 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.714 -4.750 -11.032 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.096 -3.464 -12.160 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.112 -6.016 -13.143 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.403 -6.139 -12.775 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.854 -4.311 -14.244 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.535 -3.844 -14.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.764 -5.047 -16.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.974 -5.937 -15.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.345 -6.389 -15.397 1.00 0.00 H new ATOM 321 N ALA A 20 3.490 -1.717 -13.193 1.00 0.00 N ATOM 322 CA ALA A 20 3.325 -1.183 -14.541 1.00 0.00 C ATOM 323 C ALA A 20 4.226 0.025 -14.788 1.00 0.00 C ATOM 324 O ALA A 20 4.480 0.390 -15.936 1.00 0.00 O ATOM 325 CB ALA A 20 1.868 -0.815 -14.779 1.00 0.00 C ATOM 0 H ALA A 20 2.820 -1.358 -12.513 1.00 0.00 H new ATOM 0 HA ALA A 20 3.621 -1.960 -15.246 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.753 -0.417 -15.787 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.245 -1.703 -14.666 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.560 -0.061 -14.054 1.00 0.00 H new ATOM 331 N LEU A 21 4.703 0.645 -13.713 1.00 0.00 N ATOM 332 CA LEU A 21 5.570 1.813 -13.834 1.00 0.00 C ATOM 333 C LEU A 21 6.941 1.422 -14.380 1.00 0.00 C ATOM 334 O LEU A 21 7.552 2.171 -15.142 1.00 0.00 O ATOM 335 CB LEU A 21 5.715 2.515 -12.479 1.00 0.00 C ATOM 336 CG LEU A 21 6.733 1.891 -11.519 1.00 0.00 C ATOM 337 CD1 LEU A 21 8.102 2.526 -11.708 1.00 0.00 C ATOM 338 CD2 LEU A 21 6.267 2.041 -10.076 1.00 0.00 C ATOM 0 H LEU A 21 4.506 0.361 -12.754 1.00 0.00 H new ATOM 0 HA LEU A 21 5.109 2.505 -14.539 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.997 3.553 -12.655 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.741 2.528 -11.990 1.00 0.00 H new ATOM 0 HG LEU A 21 6.814 0.828 -11.745 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.813 2.071 -11.018 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.438 2.367 -12.733 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.038 3.596 -11.509 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.002 1.592 -9.408 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.158 3.099 -9.837 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.308 1.539 -9.949 1.00 0.00 H new ATOM 350 N GLY A 22 7.419 0.247 -13.985 1.00 0.00 N ATOM 351 CA GLY A 22 8.715 -0.218 -14.446 1.00 0.00 C ATOM 352 C GLY A 22 9.079 -1.578 -13.883 1.00 0.00 C ATOM 353 O GLY A 22 8.221 -2.451 -13.746 1.00 0.00 O ATOM 0 H GLY A 22 6.933 -0.391 -13.355 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.713 -0.268 -15.535 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.479 0.506 -14.162 1.00 0.00 H new ATOM 357 N GLY A 23 10.354 -1.760 -13.557 1.00 0.00 N ATOM 358 CA GLY A 23 10.807 -3.026 -13.012 1.00 0.00 C ATOM 359 C GLY A 23 12.314 -3.181 -13.076 1.00 0.00 C ATOM 360 O GLY A 23 12.840 -3.808 -13.995 1.00 0.00 O ATOM 0 H GLY A 23 11.082 -1.053 -13.661 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.480 -3.109 -11.975 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.338 -3.843 -13.561 1.00 0.00 H new ATOM 364 N GLY A 24 13.011 -2.609 -12.100 1.00 0.00 N ATOM 365 CA GLY A 24 14.460 -2.701 -12.074 1.00 0.00 C ATOM 366 C GLY A 24 15.060 -2.144 -10.797 1.00 0.00 C ATOM 367 O GLY A 24 15.525 -1.005 -10.768 1.00 0.00 O ATOM 0 H GLY A 24 12.600 -2.084 -11.328 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.756 -3.744 -12.184 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.869 -2.162 -12.928 1.00 0.00 H new ATOM 371 N GLY A 25 15.057 -2.951 -9.741 1.00 0.00 N ATOM 372 CA GLY A 25 15.614 -2.517 -8.474 1.00 0.00 C ATOM 373 C GLY A 25 14.669 -1.628 -7.689 1.00 0.00 C ATOM 374 O GLY A 25 13.917 -2.106 -6.840 1.00 0.00 O ATOM 0 H GLY A 25 14.678 -3.898 -9.741 1.00 0.00 H new ATOM 0 HA2 GLY A 25 15.865 -3.392 -7.874 1.00 0.00 H new ATOM 0 HA3 GLY A 25 16.544 -1.979 -8.657 1.00 0.00 H new ATOM 378 N ARG A 26 14.712 -0.328 -7.968 1.00 0.00 N ATOM 379 CA ARG A 26 13.858 0.634 -7.280 1.00 0.00 C ATOM 380 C ARG A 26 12.390 0.221 -7.353 1.00 0.00 C ATOM 381 O ARG A 26 11.668 0.302 -6.367 1.00 0.00 O ATOM 382 CB ARG A 26 14.039 2.033 -7.883 1.00 0.00 C ATOM 383 CG ARG A 26 12.949 3.019 -7.486 1.00 0.00 C ATOM 384 CD ARG A 26 13.440 4.457 -7.551 1.00 0.00 C ATOM 385 NE ARG A 26 13.575 5.049 -6.223 1.00 0.00 N ATOM 386 CZ ARG A 26 13.610 6.360 -5.994 1.00 0.00 C ATOM 387 NH1 ARG A 26 13.523 7.219 -7.002 1.00 0.00 N1+ ATOM 388 NH2 ARG A 26 13.731 6.814 -4.754 1.00 0.00 N ATOM 0 H ARG A 26 15.330 0.083 -8.667 1.00 0.00 H new ATOM 0 HA ARG A 26 14.155 0.655 -6.231 1.00 0.00 H new ATOM 0 HB2 ARG A 26 15.006 2.430 -7.573 1.00 0.00 H new ATOM 0 HB3 ARG A 26 14.063 1.950 -8.970 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.090 2.898 -8.146 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.608 2.796 -6.475 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.402 4.489 -8.062 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.745 5.051 -8.144 1.00 0.00 H new ATOM 0 HE ARG A 26 13.647 4.420 -5.423 1.00 0.00 H new ATOM 0 HH11 ARG A 26 13.429 6.876 -7.958 1.00 0.00 H new ATOM 0 HH12 ARG A 26 13.550 8.222 -6.821 1.00 0.00 H new ATOM 0 HH21 ARG A 26 13.797 6.159 -3.975 1.00 0.00 H new ATOM 0 HH22 ARG A 26 13.758 7.819 -4.579 1.00 0.00 H new ATOM 402 N ILE A 27 11.958 -0.202 -8.534 1.00 0.00 N ATOM 403 CA ILE A 27 10.575 -0.618 -8.750 1.00 0.00 C ATOM 404 C ILE A 27 10.231 -1.908 -7.999 1.00 0.00 C ATOM 405 O ILE A 27 9.166 -2.017 -7.394 1.00 0.00 O ATOM 406 CB ILE A 27 10.270 -0.832 -10.249 1.00 0.00 C ATOM 407 CG1 ILE A 27 11.012 0.189 -11.118 1.00 0.00 C ATOM 408 CG2 ILE A 27 8.772 -0.749 -10.500 1.00 0.00 C ATOM 409 CD1 ILE A 27 10.861 1.618 -10.646 1.00 0.00 C ATOM 0 H ILE A 27 12.549 -0.267 -9.363 1.00 0.00 H new ATOM 0 HA ILE A 27 9.962 0.195 -8.362 1.00 0.00 H new ATOM 0 HB ILE A 27 10.621 -1.826 -10.525 1.00 0.00 H new ATOM 0 HG12 ILE A 27 12.071 -0.067 -11.138 1.00 0.00 H new ATOM 0 HG13 ILE A 27 10.646 0.114 -12.142 1.00 0.00 H new ATOM 0 HG21 ILE A 27 8.572 -0.902 -11.561 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.263 -1.519 -9.920 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.407 0.233 -10.199 1.00 0.00 H new ATOM 0 HD11 ILE A 27 11.414 2.281 -11.311 1.00 0.00 H new ATOM 0 HD12 ILE A 27 9.807 1.894 -10.653 1.00 0.00 H new ATOM 0 HD13 ILE A 27 11.254 1.710 -9.633 1.00 0.00 H new ATOM 421 N GLU A 28 11.125 -2.892 -8.074 1.00 0.00 N ATOM 422 CA GLU A 28 10.907 -4.194 -7.436 1.00 0.00 C ATOM 423 C GLU A 28 10.846 -4.107 -5.911 1.00 0.00 C ATOM 424 O GLU A 28 10.031 -4.777 -5.278 1.00 0.00 O ATOM 425 CB GLU A 28 12.011 -5.168 -7.849 1.00 0.00 C ATOM 426 CG GLU A 28 12.113 -5.371 -9.351 1.00 0.00 C ATOM 427 CD GLU A 28 12.461 -6.799 -9.724 1.00 0.00 C ATOM 428 OE1 GLU A 28 11.541 -7.644 -9.762 1.00 0.00 O1- ATOM 429 OE2 GLU A 28 13.654 -7.073 -9.978 1.00 0.00 O ATOM 0 H GLU A 28 12.012 -2.814 -8.572 1.00 0.00 H new ATOM 0 HA GLU A 28 9.936 -4.554 -7.778 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.967 -4.801 -7.475 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.831 -6.131 -7.372 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.166 -5.099 -9.816 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.871 -4.699 -9.754 1.00 0.00 H new ATOM 436 N GLU A 29 11.717 -3.301 -5.322 1.00 0.00 N ATOM 437 CA GLU A 29 11.763 -3.154 -3.869 1.00 0.00 C ATOM 438 C GLU A 29 10.518 -2.450 -3.330 1.00 0.00 C ATOM 439 O GLU A 29 10.013 -2.785 -2.259 1.00 0.00 O ATOM 440 CB GLU A 29 13.016 -2.379 -3.456 1.00 0.00 C ATOM 441 CG GLU A 29 13.034 -0.943 -3.954 1.00 0.00 C ATOM 442 CD GLU A 29 14.222 -0.160 -3.430 1.00 0.00 C ATOM 443 OE1 GLU A 29 14.286 0.072 -2.204 1.00 0.00 O ATOM 444 OE2 GLU A 29 15.089 0.222 -4.245 1.00 0.00 O1- ATOM 0 H GLU A 29 12.403 -2.738 -5.825 1.00 0.00 H new ATOM 0 HA GLU A 29 11.794 -4.155 -3.439 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.091 -2.379 -2.369 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.896 -2.898 -3.836 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.054 -0.940 -5.044 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.113 -0.445 -3.651 1.00 0.00 H new ATOM 451 N LEU A 30 10.050 -1.457 -4.071 1.00 0.00 N ATOM 452 CA LEU A 30 8.889 -0.669 -3.681 1.00 0.00 C ATOM 453 C LEU A 30 7.639 -1.532 -3.510 1.00 0.00 C ATOM 454 O LEU A 30 6.918 -1.404 -2.522 1.00 0.00 O ATOM 455 CB LEU A 30 8.641 0.394 -4.750 1.00 0.00 C ATOM 456 CG LEU A 30 8.364 1.804 -4.232 1.00 0.00 C ATOM 457 CD1 LEU A 30 9.641 2.431 -3.692 1.00 0.00 C ATOM 458 CD2 LEU A 30 7.774 2.661 -5.341 1.00 0.00 C ATOM 0 H LEU A 30 10.464 -1.174 -4.959 1.00 0.00 H new ATOM 0 HA LEU A 30 9.095 -0.207 -2.716 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.510 0.432 -5.406 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.795 0.078 -5.360 1.00 0.00 H new ATOM 0 HG LEU A 30 7.642 1.744 -3.418 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.427 3.435 -3.327 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.028 1.822 -2.875 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.384 2.485 -4.487 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.580 3.664 -4.961 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.478 2.717 -6.171 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.840 2.217 -5.686 1.00 0.00 H new ATOM 470 N LYS A 31 7.389 -2.405 -4.478 1.00 0.00 N ATOM 471 CA LYS A 31 6.221 -3.282 -4.428 1.00 0.00 C ATOM 472 C LYS A 31 6.325 -4.286 -3.289 1.00 0.00 C ATOM 473 O LYS A 31 5.320 -4.654 -2.690 1.00 0.00 O ATOM 474 CB LYS A 31 5.987 -4.010 -5.757 1.00 0.00 C ATOM 475 CG LYS A 31 7.215 -4.127 -6.645 1.00 0.00 C ATOM 476 CD LYS A 31 7.123 -5.331 -7.570 1.00 0.00 C ATOM 477 CE LYS A 31 6.076 -5.125 -8.653 1.00 0.00 C ATOM 478 NZ LYS A 31 4.821 -5.874 -8.364 1.00 0.00 N1+ ATOM 0 H LYS A 31 7.975 -2.526 -5.304 1.00 0.00 H new ATOM 0 HA LYS A 31 5.360 -2.639 -4.244 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.612 -5.011 -5.545 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.206 -3.487 -6.309 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.324 -3.219 -7.238 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.107 -4.211 -6.024 1.00 0.00 H new ATOM 0 HD2 LYS A 31 8.094 -5.511 -8.031 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.876 -6.219 -6.989 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.852 -4.062 -8.743 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.479 -5.448 -9.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.598 -6.500 -9.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.947 -6.444 -7.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.040 -5.202 -8.223 1.00 0.00 H new ATOM 492 N LYS A 32 7.543 -4.735 -2.998 1.00 0.00 N ATOM 493 CA LYS A 32 7.759 -5.708 -1.931 1.00 0.00 C ATOM 494 C LYS A 32 7.205 -5.184 -0.612 1.00 0.00 C ATOM 495 O LYS A 32 6.599 -5.927 0.159 1.00 0.00 O ATOM 496 CB LYS A 32 9.250 -6.018 -1.785 1.00 0.00 C ATOM 497 CG LYS A 32 9.780 -6.975 -2.840 1.00 0.00 C ATOM 498 CD LYS A 32 11.262 -6.759 -3.092 1.00 0.00 C ATOM 499 CE LYS A 32 11.953 -8.052 -3.496 1.00 0.00 C ATOM 500 NZ LYS A 32 13.270 -7.800 -4.143 1.00 0.00 N1+ ATOM 0 H LYS A 32 8.391 -4.443 -3.483 1.00 0.00 H new ATOM 0 HA LYS A 32 7.233 -6.626 -2.193 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.813 -5.086 -1.837 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.429 -6.444 -0.798 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.610 -8.003 -2.519 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.228 -6.836 -3.769 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.394 -6.014 -3.877 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.731 -6.360 -2.192 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.095 -8.678 -2.615 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.312 -8.607 -4.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.708 -8.707 -4.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.132 -7.224 -4.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.891 -7.293 -3.480 1.00 0.00 H new ATOM 514 N LYS A 33 7.402 -3.895 -0.368 1.00 0.00 N ATOM 515 CA LYS A 33 6.905 -3.262 0.845 1.00 0.00 C ATOM 516 C LYS A 33 5.381 -3.252 0.846 1.00 0.00 C ATOM 517 O LYS A 33 4.746 -3.396 1.891 1.00 0.00 O ATOM 518 CB LYS A 33 7.441 -1.834 0.963 1.00 0.00 C ATOM 519 CG LYS A 33 7.355 -1.268 2.370 1.00 0.00 C ATOM 520 CD LYS A 33 8.484 -0.287 2.646 1.00 0.00 C ATOM 521 CE LYS A 33 8.037 1.150 2.430 1.00 0.00 C ATOM 522 NZ LYS A 33 9.126 2.120 2.729 1.00 0.00 N1+ ATOM 0 H LYS A 33 7.904 -3.267 -0.996 1.00 0.00 H new ATOM 0 HA LYS A 33 7.255 -3.836 1.703 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.481 -1.817 0.636 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.883 -1.188 0.285 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.396 -0.768 2.504 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.394 -2.082 3.094 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.833 -0.411 3.671 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.328 -0.509 1.993 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.710 1.278 1.398 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.177 1.362 3.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.782 3.088 2.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.421 2.016 3.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.937 1.934 2.106 1.00 0.00 H new ATOM 536 N TYR A 34 4.804 -3.077 -0.339 1.00 0.00 N ATOM 537 CA TYR A 34 3.354 -3.041 -0.495 1.00 0.00 C ATOM 538 C TYR A 34 2.708 -4.316 0.046 1.00 0.00 C ATOM 539 O TYR A 34 1.633 -4.267 0.641 1.00 0.00 O ATOM 540 CB TYR A 34 2.982 -2.841 -1.968 1.00 0.00 C ATOM 541 CG TYR A 34 2.118 -1.625 -2.205 1.00 0.00 C ATOM 542 CD1 TYR A 34 0.790 -1.605 -1.798 1.00 0.00 C ATOM 543 CD2 TYR A 34 2.630 -0.496 -2.829 1.00 0.00 C ATOM 544 CE1 TYR A 34 -0.002 -0.494 -2.009 1.00 0.00 C ATOM 545 CE2 TYR A 34 1.845 0.620 -3.040 1.00 0.00 C ATOM 546 CZ TYR A 34 0.529 0.615 -2.629 1.00 0.00 C ATOM 547 OH TYR A 34 -0.255 1.728 -2.832 1.00 0.00 O ATOM 0 H TYR A 34 5.322 -2.957 -1.210 1.00 0.00 H new ATOM 0 HA TYR A 34 2.974 -2.199 0.083 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.895 -2.750 -2.557 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.458 -3.727 -2.327 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.371 -2.472 -1.309 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.660 -0.490 -3.155 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -1.034 -0.495 -1.689 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.259 1.492 -3.524 1.00 0.00 H new ATOM 0 HH TYR A 34 0.311 2.528 -2.848 1.00 0.00 H new ATOM 557 N GLU A 35 3.364 -5.454 -0.160 1.00 0.00 N ATOM 558 CA GLU A 35 2.845 -6.733 0.315 1.00 0.00 C ATOM 559 C GLU A 35 2.600 -6.687 1.819 1.00 0.00 C ATOM 560 O GLU A 35 1.581 -7.174 2.310 1.00 0.00 O ATOM 561 CB GLU A 35 3.821 -7.862 -0.022 1.00 0.00 C ATOM 562 CG GLU A 35 3.998 -8.087 -1.516 1.00 0.00 C ATOM 563 CD GLU A 35 3.643 -9.498 -1.941 1.00 0.00 C ATOM 564 OE1 GLU A 35 2.435 -9.797 -2.055 1.00 0.00 O ATOM 565 OE2 GLU A 35 4.570 -10.305 -2.158 1.00 0.00 O1- ATOM 0 H GLU A 35 4.255 -5.517 -0.652 1.00 0.00 H new ATOM 0 HA GLU A 35 1.897 -6.925 -0.187 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.791 -7.637 0.421 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.468 -8.786 0.437 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.374 -7.380 -2.062 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.032 -7.878 -1.791 1.00 0.00 H new ATOM 572 N GLU A 36 3.539 -6.085 2.542 1.00 0.00 N ATOM 573 CA GLU A 36 3.431 -5.957 3.991 1.00 0.00 C ATOM 574 C GLU A 36 2.153 -5.212 4.368 1.00 0.00 C ATOM 575 O GLU A 36 1.507 -5.529 5.364 1.00 0.00 O ATOM 576 CB GLU A 36 4.651 -5.224 4.552 1.00 0.00 C ATOM 577 CG GLU A 36 5.124 -5.767 5.890 1.00 0.00 C ATOM 578 CD GLU A 36 5.889 -4.738 6.700 1.00 0.00 C ATOM 579 OE1 GLU A 36 6.586 -3.901 6.088 1.00 0.00 O1- ATOM 580 OE2 GLU A 36 5.793 -4.770 7.945 1.00 0.00 O ATOM 0 H GLU A 36 4.386 -5.677 2.146 1.00 0.00 H new ATOM 0 HA GLU A 36 3.392 -6.957 4.423 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.467 -5.291 3.833 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.410 -4.167 4.663 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.263 -6.109 6.464 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.759 -6.636 5.721 1.00 0.00 H new ATOM 587 N LEU A 37 1.807 -4.214 3.562 1.00 0.00 N ATOM 588 CA LEU A 37 0.618 -3.403 3.793 1.00 0.00 C ATOM 589 C LEU A 37 -0.648 -4.253 3.815 1.00 0.00 C ATOM 590 O LEU A 37 -1.507 -4.079 4.678 1.00 0.00 O ATOM 591 CB LEU A 37 0.511 -2.349 2.688 1.00 0.00 C ATOM 592 CG LEU A 37 0.578 -0.894 3.144 1.00 0.00 C ATOM 593 CD1 LEU A 37 -0.791 -0.412 3.595 1.00 0.00 C ATOM 594 CD2 LEU A 37 1.605 -0.718 4.254 1.00 0.00 C ATOM 0 H LEU A 37 2.340 -3.946 2.735 1.00 0.00 H new ATOM 0 HA LEU A 37 0.713 -2.924 4.768 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.313 -2.521 1.970 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.430 -2.500 2.158 1.00 0.00 H new ATOM 0 HG LEU A 37 0.893 -0.287 2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.723 0.627 3.916 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.495 -0.490 2.767 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.138 -1.027 4.426 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.633 0.327 4.561 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.330 -1.339 5.106 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.588 -1.016 3.890 1.00 0.00 H new ATOM 606 N LYS A 38 -0.761 -5.159 2.855 1.00 0.00 N ATOM 607 CA LYS A 38 -1.927 -6.032 2.751 1.00 0.00 C ATOM 608 C LYS A 38 -2.176 -6.796 4.049 1.00 0.00 C ATOM 609 O LYS A 38 -3.320 -6.984 4.457 1.00 0.00 O ATOM 610 CB LYS A 38 -1.744 -7.018 1.595 1.00 0.00 C ATOM 611 CG LYS A 38 -1.744 -6.358 0.226 1.00 0.00 C ATOM 612 CD LYS A 38 -0.610 -6.876 -0.646 1.00 0.00 C ATOM 613 CE LYS A 38 -1.089 -7.203 -2.051 1.00 0.00 C ATOM 614 NZ LYS A 38 0.045 -7.374 -3.001 1.00 0.00 N1+ ATOM 0 H LYS A 38 -0.057 -5.311 2.132 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.796 -5.402 2.560 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.804 -7.554 1.731 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.542 -7.760 1.631 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.698 -6.544 -0.268 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.650 -5.278 0.342 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.182 -6.129 -0.696 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.179 -7.768 -0.191 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.684 -8.116 -2.028 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.742 -6.406 -2.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.280 -7.174 -3.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.810 -6.716 -2.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.397 -8.351 -2.949 1.00 0.00 H new ATOM 628 N LYS A 39 -1.099 -7.250 4.681 1.00 0.00 N ATOM 629 CA LYS A 39 -1.195 -8.012 5.924 1.00 0.00 C ATOM 630 C LYS A 39 -1.731 -7.166 7.080 1.00 0.00 C ATOM 631 O LYS A 39 -2.479 -7.661 7.921 1.00 0.00 O ATOM 632 CB LYS A 39 0.173 -8.586 6.295 1.00 0.00 C ATOM 633 CG LYS A 39 0.696 -9.605 5.296 1.00 0.00 C ATOM 634 CD LYS A 39 2.212 -9.710 5.348 1.00 0.00 C ATOM 635 CE LYS A 39 2.668 -10.615 6.481 1.00 0.00 C ATOM 636 NZ LYS A 39 4.149 -10.777 6.501 1.00 0.00 N1+ ATOM 0 H LYS A 39 -0.145 -7.103 4.352 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.902 -8.823 5.753 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.890 -7.769 6.378 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.107 -9.053 7.278 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.255 -10.580 5.505 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.384 -9.323 4.290 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.584 -10.097 4.399 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.643 -8.717 5.478 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.335 -10.201 7.433 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.197 -11.593 6.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.419 -11.401 7.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.465 -11.196 5.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.598 -9.847 6.626 1.00 0.00 H new ATOM 650 N LYS A 40 -1.329 -5.900 7.132 1.00 0.00 N ATOM 651 CA LYS A 40 -1.757 -4.999 8.201 1.00 0.00 C ATOM 652 C LYS A 40 -3.271 -4.804 8.200 1.00 0.00 C ATOM 653 O LYS A 40 -3.894 -4.696 9.255 1.00 0.00 O ATOM 654 CB LYS A 40 -1.058 -3.645 8.059 1.00 0.00 C ATOM 655 CG LYS A 40 -0.547 -3.082 9.375 1.00 0.00 C ATOM 656 CD LYS A 40 0.655 -2.177 9.164 1.00 0.00 C ATOM 657 CE LYS A 40 1.958 -2.906 9.452 1.00 0.00 C ATOM 658 NZ LYS A 40 3.146 -2.075 9.112 1.00 0.00 N1+ ATOM 0 H LYS A 40 -0.707 -5.473 6.446 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.478 -5.455 9.151 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.221 -3.748 7.369 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.752 -2.932 7.614 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.343 -2.523 9.866 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.275 -3.901 10.041 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.661 -1.811 8.137 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.574 -1.305 9.813 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.996 -3.179 10.507 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.989 -3.834 8.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.014 -2.608 9.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.124 -1.835 8.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.131 -1.201 9.675 1.00 0.00 H new ATOM 672 N ILE A 41 -3.853 -4.758 7.012 1.00 0.00 N ATOM 673 CA ILE A 41 -5.291 -4.575 6.865 1.00 0.00 C ATOM 674 C ILE A 41 -6.042 -5.826 7.303 1.00 0.00 C ATOM 675 O ILE A 41 -7.134 -5.747 7.866 1.00 0.00 O ATOM 676 CB ILE A 41 -5.663 -4.242 5.408 1.00 0.00 C ATOM 677 CG1 ILE A 41 -4.838 -3.053 4.911 1.00 0.00 C ATOM 678 CG2 ILE A 41 -7.152 -3.947 5.287 1.00 0.00 C ATOM 679 CD1 ILE A 41 -5.093 -2.701 3.463 1.00 0.00 C ATOM 0 H ILE A 41 -3.349 -4.845 6.130 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.580 -3.739 7.503 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.437 -5.108 4.786 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.058 -2.184 5.531 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.779 -3.277 5.041 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.394 -3.714 4.250 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.723 -4.819 5.606 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.407 -3.096 5.919 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.474 -1.849 3.181 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.845 -3.555 2.832 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.144 -2.445 3.330 1.00 0.00 H new ATOM 691 N GLU A 42 -5.441 -6.978 7.042 1.00 0.00 N ATOM 692 CA GLU A 42 -6.033 -8.255 7.407 1.00 0.00 C ATOM 693 C GLU A 42 -6.215 -8.352 8.917 1.00 0.00 C ATOM 694 O GLU A 42 -7.165 -8.968 9.399 1.00 0.00 O ATOM 695 CB GLU A 42 -5.155 -9.406 6.909 1.00 0.00 C ATOM 696 CG GLU A 42 -5.702 -10.095 5.669 1.00 0.00 C ATOM 697 CD GLU A 42 -5.086 -11.461 5.442 1.00 0.00 C ATOM 698 OE1 GLU A 42 -3.993 -11.528 4.840 1.00 0.00 O1- ATOM 699 OE2 GLU A 42 -5.696 -12.466 5.866 1.00 0.00 O ATOM 0 H GLU A 42 -4.537 -7.053 6.575 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.013 -8.326 6.935 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.158 -9.024 6.692 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.048 -10.142 7.706 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.783 -10.199 5.763 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.516 -9.467 4.797 1.00 0.00 H new ATOM 706 N GLU A 43 -5.295 -7.744 9.658 1.00 0.00 N ATOM 707 CA GLU A 43 -5.355 -7.770 11.116 1.00 0.00 C ATOM 708 C GLU A 43 -6.393 -6.784 11.642 1.00 0.00 C ATOM 709 O GLU A 43 -6.955 -6.977 12.721 1.00 0.00 O ATOM 710 CB GLU A 43 -3.975 -7.470 11.718 1.00 0.00 C ATOM 711 CG GLU A 43 -3.546 -6.013 11.608 1.00 0.00 C ATOM 712 CD GLU A 43 -2.999 -5.468 12.913 1.00 0.00 C ATOM 713 OE1 GLU A 43 -2.462 -6.265 13.711 1.00 0.00 O1- ATOM 714 OE2 GLU A 43 -3.109 -4.244 13.137 1.00 0.00 O ATOM 0 H GLU A 43 -4.502 -7.229 9.276 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.657 -8.772 11.421 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.980 -7.756 12.770 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.232 -8.094 11.222 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.786 -5.919 10.832 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.398 -5.410 11.295 1.00 0.00 H new ATOM 721 N LEU A 44 -6.646 -5.727 10.877 1.00 0.00 N ATOM 722 CA LEU A 44 -7.618 -4.715 11.270 1.00 0.00 C ATOM 723 C LEU A 44 -9.019 -5.311 11.355 1.00 0.00 C ATOM 724 O LEU A 44 -9.470 -5.999 10.438 1.00 0.00 O ATOM 725 CB LEU A 44 -7.598 -3.550 10.278 1.00 0.00 C ATOM 726 CG LEU A 44 -6.840 -2.311 10.752 1.00 0.00 C ATOM 727 CD1 LEU A 44 -6.448 -1.438 9.570 1.00 0.00 C ATOM 728 CD2 LEU A 44 -7.680 -1.521 11.745 1.00 0.00 C ATOM 0 H LEU A 44 -6.191 -5.550 9.981 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.345 -4.344 12.258 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.153 -3.895 9.345 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.626 -3.265 10.055 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.929 -2.636 11.254 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.909 -0.561 9.928 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.808 -2.006 8.895 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.345 -1.121 9.039 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.125 -0.642 12.073 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.608 -1.207 11.268 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.909 -2.147 12.607 1.00 0.00 H new ATOM 740 N GLY A 45 -9.705 -5.045 12.463 1.00 0.00 N ATOM 741 CA GLY A 45 -11.048 -5.563 12.649 1.00 0.00 C ATOM 742 C GLY A 45 -12.059 -4.468 12.922 1.00 0.00 C ATOM 743 O GLY A 45 -13.078 -4.702 13.572 1.00 0.00 O ATOM 0 H GLY A 45 -9.354 -4.479 13.236 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.347 -6.116 11.759 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.050 -6.270 13.479 1.00 0.00 H new ATOM 747 N GLY A 46 -11.778 -3.267 12.426 1.00 0.00 N ATOM 748 CA GLY A 46 -12.682 -2.149 12.631 1.00 0.00 C ATOM 749 C GLY A 46 -12.040 -0.817 12.300 1.00 0.00 C ATOM 750 O GLY A 46 -11.197 -0.731 11.408 1.00 0.00 O ATOM 0 H GLY A 46 -10.941 -3.048 11.886 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.569 -2.285 12.013 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -13.015 -2.141 13.669 1.00 0.00 H new ATOM 754 N GLY A 47 -12.440 0.227 13.021 1.00 0.00 N ATOM 755 CA GLY A 47 -11.889 1.548 12.783 1.00 0.00 C ATOM 756 C GLY A 47 -10.822 1.923 13.793 1.00 0.00 C ATOM 757 O GLY A 47 -10.381 1.084 14.580 1.00 0.00 O ATOM 0 H GLY A 47 -13.136 0.181 13.765 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.464 1.586 11.780 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.692 2.284 12.817 1.00 0.00 H new ATOM 761 N GLY A 48 -10.406 3.185 13.771 1.00 0.00 N ATOM 762 CA GLY A 48 -9.388 3.647 14.696 1.00 0.00 C ATOM 763 C GLY A 48 -7.998 3.610 14.092 1.00 0.00 C ATOM 764 O GLY A 48 -7.351 4.647 13.941 1.00 0.00 O ATOM 0 H GLY A 48 -10.756 3.896 13.129 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -9.619 4.666 15.007 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.408 3.028 15.593 1.00 0.00 H new ATOM 768 N GLU A 49 -7.539 2.413 13.746 1.00 0.00 N ATOM 769 CA GLU A 49 -6.216 2.241 13.154 1.00 0.00 C ATOM 770 C GLU A 49 -6.295 2.206 11.628 1.00 0.00 C ATOM 771 O GLU A 49 -5.280 2.345 10.945 1.00 0.00 O ATOM 772 CB GLU A 49 -5.567 0.955 13.671 1.00 0.00 C ATOM 773 CG GLU A 49 -4.154 0.737 13.154 1.00 0.00 C ATOM 774 CD GLU A 49 -3.309 -0.094 14.099 1.00 0.00 C ATOM 775 OE1 GLU A 49 -3.599 -1.299 14.252 1.00 0.00 O1- ATOM 776 OE2 GLU A 49 -2.358 0.460 14.689 1.00 0.00 O ATOM 0 H GLU A 49 -8.063 1.546 13.865 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.604 3.095 13.446 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.547 0.981 14.761 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.185 0.105 13.384 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.198 0.244 12.183 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.675 1.704 12.999 1.00 0.00 H new ATOM 783 N VAL A 50 -7.501 2.017 11.098 1.00 0.00 N ATOM 784 CA VAL A 50 -7.702 1.963 9.654 1.00 0.00 C ATOM 785 C VAL A 50 -7.127 3.199 8.967 1.00 0.00 C ATOM 786 O VAL A 50 -6.651 3.129 7.834 1.00 0.00 O ATOM 787 CB VAL A 50 -9.199 1.822 9.298 1.00 0.00 C ATOM 788 CG1 VAL A 50 -9.963 3.106 9.592 1.00 0.00 C ATOM 789 CG2 VAL A 50 -9.366 1.414 7.843 1.00 0.00 C ATOM 0 H VAL A 50 -8.352 1.899 11.647 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.172 1.082 9.293 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.620 1.037 9.927 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.013 2.973 9.330 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.881 3.344 10.653 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.543 3.922 9.004 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -10.427 1.320 7.611 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.920 2.172 7.199 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.871 0.457 7.674 1.00 0.00 H new ATOM 799 N LYS A 51 -7.179 4.329 9.663 1.00 0.00 N ATOM 800 CA LYS A 51 -6.666 5.584 9.128 1.00 0.00 C ATOM 801 C LYS A 51 -5.144 5.546 9.022 1.00 0.00 C ATOM 802 O LYS A 51 -4.557 6.162 8.134 1.00 0.00 O ATOM 803 CB LYS A 51 -7.102 6.753 10.012 1.00 0.00 C ATOM 804 CG LYS A 51 -8.611 6.879 10.155 1.00 0.00 C ATOM 805 CD LYS A 51 -9.140 6.008 11.285 1.00 0.00 C ATOM 806 CE LYS A 51 -10.139 6.762 12.150 1.00 0.00 C ATOM 807 NZ LYS A 51 -11.489 6.814 11.522 1.00 0.00 N1+ ATOM 0 H LYS A 51 -7.572 4.401 10.601 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.077 5.723 8.128 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.660 6.634 11.001 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.706 7.680 9.596 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.874 7.920 10.343 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.091 6.593 9.219 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.615 5.120 10.869 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.309 5.666 11.902 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.211 6.281 13.125 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.779 7.776 12.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.104 7.447 12.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.406 7.171 10.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.901 5.859 11.506 1.00 0.00 H new ATOM 821 N LYS A 52 -4.515 4.817 9.939 1.00 0.00 N ATOM 822 CA LYS A 52 -3.063 4.693 9.957 1.00 0.00 C ATOM 823 C LYS A 52 -2.564 3.904 8.750 1.00 0.00 C ATOM 824 O LYS A 52 -1.480 4.164 8.232 1.00 0.00 O ATOM 825 CB LYS A 52 -2.605 4.014 11.248 1.00 0.00 C ATOM 826 CG LYS A 52 -2.566 4.947 12.447 1.00 0.00 C ATOM 827 CD LYS A 52 -1.149 5.409 12.748 1.00 0.00 C ATOM 828 CE LYS A 52 -0.870 6.778 12.147 1.00 0.00 C ATOM 829 NZ LYS A 52 -0.267 6.676 10.789 1.00 0.00 N1+ ATOM 0 H LYS A 52 -4.990 4.302 10.680 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.640 5.696 9.910 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.274 3.182 11.468 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.612 3.593 11.094 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.199 5.813 12.256 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.977 4.438 13.319 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.999 5.447 13.827 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.437 4.685 12.352 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.799 7.346 12.090 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.198 7.332 12.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.712 7.027 10.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.270 5.682 10.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.821 7.247 10.119 1.00 0.00 H new ATOM 843 N VAL A 53 -3.359 2.932 8.317 1.00 0.00 N ATOM 844 CA VAL A 53 -3.001 2.091 7.179 1.00 0.00 C ATOM 845 C VAL A 53 -3.058 2.867 5.863 1.00 0.00 C ATOM 846 O VAL A 53 -2.224 2.669 4.984 1.00 0.00 O ATOM 847 CB VAL A 53 -3.932 0.863 7.081 1.00 0.00 C ATOM 848 CG1 VAL A 53 -3.553 -0.015 5.895 1.00 0.00 C ATOM 849 CG2 VAL A 53 -3.897 0.068 8.377 1.00 0.00 C ATOM 0 H VAL A 53 -4.260 2.706 8.739 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.977 1.757 7.346 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.951 1.217 6.921 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.224 -0.873 5.848 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.637 0.562 4.974 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.527 -0.363 6.013 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.558 -0.794 8.293 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.879 -0.272 8.568 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.229 0.700 9.201 1.00 0.00 H new ATOM 859 N GLU A 54 -4.050 3.735 5.724 1.00 0.00 N ATOM 860 CA GLU A 54 -4.206 4.523 4.506 1.00 0.00 C ATOM 861 C GLU A 54 -3.052 5.510 4.329 1.00 0.00 C ATOM 862 O GLU A 54 -2.653 5.816 3.208 1.00 0.00 O ATOM 863 CB GLU A 54 -5.536 5.278 4.527 1.00 0.00 C ATOM 864 CG GLU A 54 -6.738 4.388 4.796 1.00 0.00 C ATOM 865 CD GLU A 54 -7.982 5.181 5.147 1.00 0.00 C ATOM 866 OE1 GLU A 54 -7.914 6.012 6.077 1.00 0.00 O1- ATOM 867 OE2 GLU A 54 -9.024 4.971 4.492 1.00 0.00 O ATOM 0 H GLU A 54 -4.758 3.912 6.437 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.197 3.833 3.662 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.491 6.054 5.291 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.674 5.781 3.570 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.937 3.777 3.916 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.504 3.705 5.613 1.00 0.00 H new ATOM 874 N GLU A 55 -2.537 6.021 5.441 1.00 0.00 N ATOM 875 CA GLU A 55 -1.442 6.988 5.412 1.00 0.00 C ATOM 876 C GLU A 55 -0.119 6.355 4.973 1.00 0.00 C ATOM 877 O GLU A 55 0.660 6.971 4.247 1.00 0.00 O ATOM 878 CB GLU A 55 -1.277 7.635 6.789 1.00 0.00 C ATOM 879 CG GLU A 55 -1.146 9.148 6.738 1.00 0.00 C ATOM 880 CD GLU A 55 -2.491 9.849 6.714 1.00 0.00 C ATOM 881 OE1 GLU A 55 -3.114 9.974 7.789 1.00 0.00 O ATOM 882 OE2 GLU A 55 -2.919 10.273 5.620 1.00 0.00 O1- ATOM 0 H GLU A 55 -2.860 5.782 6.378 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.701 7.748 4.675 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.134 7.374 7.409 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.394 7.218 7.274 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.578 9.489 7.603 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.577 9.430 5.852 1.00 0.00 H new ATOM 889 N GLU A 56 0.140 5.136 5.438 1.00 0.00 N ATOM 890 CA GLU A 56 1.384 4.439 5.112 1.00 0.00 C ATOM 891 C GLU A 56 1.492 4.129 3.620 1.00 0.00 C ATOM 892 O GLU A 56 2.553 4.298 3.021 1.00 0.00 O ATOM 893 CB GLU A 56 1.503 3.150 5.931 1.00 0.00 C ATOM 894 CG GLU A 56 0.284 2.250 5.847 1.00 0.00 C ATOM 895 CD GLU A 56 0.506 0.906 6.511 1.00 0.00 C ATOM 896 OE1 GLU A 56 1.673 0.579 6.818 1.00 0.00 O ATOM 897 OE2 GLU A 56 -0.486 0.178 6.725 1.00 0.00 O1- ATOM 0 H GLU A 56 -0.493 4.610 6.041 1.00 0.00 H new ATOM 0 HA GLU A 56 2.208 5.105 5.369 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.376 2.594 5.590 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.679 3.410 6.975 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.564 2.748 6.317 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.022 2.095 4.800 1.00 0.00 H new ATOM 904 N VAL A 57 0.395 3.673 3.024 1.00 0.00 N ATOM 905 CA VAL A 57 0.385 3.342 1.604 1.00 0.00 C ATOM 906 C VAL A 57 0.593 4.590 0.749 1.00 0.00 C ATOM 907 O VAL A 57 1.243 4.540 -0.295 1.00 0.00 O ATOM 908 CB VAL A 57 -0.928 2.636 1.194 1.00 0.00 C ATOM 909 CG1 VAL A 57 -2.095 3.614 1.155 1.00 0.00 C ATOM 910 CG2 VAL A 57 -0.757 1.940 -0.148 1.00 0.00 C ATOM 0 H VAL A 57 -0.495 3.525 3.500 1.00 0.00 H new ATOM 0 HA VAL A 57 1.212 2.654 1.430 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.157 1.883 1.948 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.003 3.086 0.863 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.233 4.055 2.142 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.885 4.402 0.432 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.689 1.447 -0.424 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.497 2.676 -0.909 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.038 1.198 -0.074 1.00 0.00 H new ATOM 920 N LYS A 58 0.038 5.710 1.205 1.00 0.00 N ATOM 921 CA LYS A 58 0.163 6.977 0.491 1.00 0.00 C ATOM 922 C LYS A 58 1.630 7.320 0.250 1.00 0.00 C ATOM 923 O LYS A 58 1.980 7.917 -0.765 1.00 0.00 O ATOM 924 CB LYS A 58 -0.514 8.099 1.281 1.00 0.00 C ATOM 925 CG LYS A 58 -1.939 8.384 0.836 1.00 0.00 C ATOM 926 CD LYS A 58 -1.973 9.030 -0.540 1.00 0.00 C ATOM 927 CE LYS A 58 -3.282 8.747 -1.259 1.00 0.00 C ATOM 928 NZ LYS A 58 -3.097 7.808 -2.400 1.00 0.00 N1+ ATOM 0 H LYS A 58 -0.504 5.765 2.068 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.331 6.874 -0.475 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.519 7.835 2.339 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.077 9.009 1.182 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.508 7.455 0.817 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.423 9.040 1.559 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.837 10.107 -0.440 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.141 8.658 -1.138 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.999 8.326 -0.555 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.705 9.683 -1.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.013 7.641 -2.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.432 8.221 -3.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.717 6.906 -2.049 1.00 0.00 H new ATOM 942 N LYS A 59 2.480 6.939 1.194 1.00 0.00 N ATOM 943 CA LYS A 59 3.911 7.202 1.092 1.00 0.00 C ATOM 944 C LYS A 59 4.543 6.378 -0.030 1.00 0.00 C ATOM 945 O LYS A 59 5.446 6.847 -0.722 1.00 0.00 O ATOM 946 CB LYS A 59 4.604 6.891 2.419 1.00 0.00 C ATOM 947 CG LYS A 59 3.944 7.553 3.619 1.00 0.00 C ATOM 948 CD LYS A 59 4.497 7.013 4.929 1.00 0.00 C ATOM 949 CE LYS A 59 5.374 8.037 5.631 1.00 0.00 C ATOM 950 NZ LYS A 59 4.685 8.651 6.799 1.00 0.00 N1+ ATOM 0 H LYS A 59 2.203 6.445 2.042 1.00 0.00 H new ATOM 0 HA LYS A 59 4.042 8.259 0.859 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.614 5.812 2.570 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.643 7.215 2.362 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.101 8.631 3.573 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.867 7.386 3.581 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.673 6.730 5.583 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.075 6.110 4.736 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.295 7.559 5.963 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.657 8.818 4.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.317 9.343 7.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.819 9.129 6.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.438 7.910 7.485 1.00 0.00 H new ATOM 964 N LEU A 60 4.078 5.142 -0.186 1.00 0.00 N ATOM 965 CA LEU A 60 4.607 4.236 -1.205 1.00 0.00 C ATOM 966 C LEU A 60 4.461 4.807 -2.615 1.00 0.00 C ATOM 967 O LEU A 60 5.395 4.747 -3.414 1.00 0.00 O ATOM 968 CB LEU A 60 3.888 2.887 -1.120 1.00 0.00 C ATOM 969 CG LEU A 60 4.744 1.667 -1.462 1.00 0.00 C ATOM 970 CD1 LEU A 60 5.207 1.727 -2.909 1.00 0.00 C ATOM 971 CD2 LEU A 60 5.935 1.569 -0.522 1.00 0.00 C ATOM 0 H LEU A 60 3.332 4.742 0.383 1.00 0.00 H new ATOM 0 HA LEU A 60 5.672 4.107 -1.009 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.498 2.765 -0.109 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.030 2.908 -1.792 1.00 0.00 H new ATOM 0 HG LEU A 60 4.133 0.773 -1.335 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.815 0.850 -3.133 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.339 1.745 -3.568 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.800 2.629 -3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.532 0.695 -0.781 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.547 2.467 -0.615 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.581 1.475 0.505 1.00 0.00 H new ATOM 983 N GLU A 61 3.289 5.352 -2.922 1.00 0.00 N ATOM 984 CA GLU A 61 3.039 5.920 -4.243 1.00 0.00 C ATOM 985 C GLU A 61 3.856 7.189 -4.463 1.00 0.00 C ATOM 986 O GLU A 61 4.285 7.476 -5.580 1.00 0.00 O ATOM 987 CB GLU A 61 1.546 6.208 -4.441 1.00 0.00 C ATOM 988 CG GLU A 61 0.937 7.091 -3.365 1.00 0.00 C ATOM 989 CD GLU A 61 1.290 8.556 -3.539 1.00 0.00 C ATOM 990 OE1 GLU A 61 1.759 8.927 -4.637 1.00 0.00 O ATOM 991 OE2 GLU A 61 1.097 9.332 -2.581 1.00 0.00 O1- ATOM 0 H GLU A 61 2.500 5.413 -2.278 1.00 0.00 H new ATOM 0 HA GLU A 61 3.351 5.182 -4.982 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.404 6.685 -5.411 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.005 5.262 -4.469 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.147 6.979 -3.380 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.279 6.753 -2.387 1.00 0.00 H new ATOM 998 N GLU A 62 4.066 7.947 -3.393 1.00 0.00 N ATOM 999 CA GLU A 62 4.830 9.188 -3.466 1.00 0.00 C ATOM 1000 C GLU A 62 6.230 8.935 -4.016 1.00 0.00 C ATOM 1001 O GLU A 62 6.755 9.730 -4.795 1.00 0.00 O ATOM 1002 CB GLU A 62 4.923 9.835 -2.082 1.00 0.00 C ATOM 1003 CG GLU A 62 3.624 10.477 -1.626 1.00 0.00 C ATOM 1004 CD GLU A 62 3.837 11.842 -0.997 1.00 0.00 C ATOM 1005 OE1 GLU A 62 4.438 12.714 -1.658 1.00 0.00 O ATOM 1006 OE2 GLU A 62 3.402 12.037 0.157 1.00 0.00 O1- ATOM 0 H GLU A 62 3.717 7.723 -2.461 1.00 0.00 H new ATOM 0 HA GLU A 62 4.311 9.866 -4.144 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.220 9.079 -1.355 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.708 10.591 -2.095 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.952 10.575 -2.479 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.132 9.822 -0.907 1.00 0.00 H new ATOM 1013 N GLU A 63 6.824 7.817 -3.614 1.00 0.00 N ATOM 1014 CA GLU A 63 8.157 7.451 -4.075 1.00 0.00 C ATOM 1015 C GLU A 63 8.127 7.155 -5.566 1.00 0.00 C ATOM 1016 O GLU A 63 9.094 7.410 -6.284 1.00 0.00 O ATOM 1017 CB GLU A 63 8.674 6.231 -3.310 1.00 0.00 C ATOM 1018 CG GLU A 63 8.525 6.349 -1.803 1.00 0.00 C ATOM 1019 CD GLU A 63 9.420 7.419 -1.211 1.00 0.00 C ATOM 1020 OE1 GLU A 63 10.657 7.283 -1.319 1.00 0.00 O1- ATOM 1021 OE2 GLU A 63 8.886 8.392 -0.639 1.00 0.00 O ATOM 0 H GLU A 63 6.403 7.148 -2.969 1.00 0.00 H new ATOM 0 HA GLU A 63 8.831 8.288 -3.889 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.138 5.345 -3.651 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.726 6.080 -3.552 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.486 6.574 -1.561 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.759 5.389 -1.342 1.00 0.00 H new ATOM 1028 N ILE A 64 7.004 6.614 -6.022 1.00 0.00 N ATOM 1029 CA ILE A 64 6.832 6.279 -7.431 1.00 0.00 C ATOM 1030 C ILE A 64 6.905 7.528 -8.306 1.00 0.00 C ATOM 1031 O ILE A 64 7.373 7.475 -9.443 1.00 0.00 O ATOM 1032 CB ILE A 64 5.488 5.565 -7.679 1.00 0.00 C ATOM 1033 CG1 ILE A 64 5.340 4.368 -6.737 1.00 0.00 C ATOM 1034 CG2 ILE A 64 5.382 5.118 -9.131 1.00 0.00 C ATOM 1035 CD1 ILE A 64 4.028 3.631 -6.897 1.00 0.00 C ATOM 0 H ILE A 64 6.198 6.397 -5.436 1.00 0.00 H new ATOM 0 HA ILE A 64 7.646 5.605 -7.699 1.00 0.00 H new ATOM 0 HB ILE A 64 4.679 6.267 -7.476 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.161 3.673 -6.913 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.430 4.713 -5.707 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.427 4.616 -9.288 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.447 5.988 -9.785 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.196 4.430 -9.360 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.993 2.795 -6.198 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.201 4.311 -6.692 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.944 3.255 -7.917 1.00 0.00 H new ATOM 1047 N LYS A 65 6.438 8.651 -7.769 1.00 0.00 N ATOM 1048 CA LYS A 65 6.451 9.912 -8.502 1.00 0.00 C ATOM 1049 C LYS A 65 7.870 10.458 -8.617 1.00 0.00 C ATOM 1050 O LYS A 65 8.237 11.055 -9.629 1.00 0.00 O ATOM 1051 CB LYS A 65 5.553 10.938 -7.809 1.00 0.00 C ATOM 1052 CG LYS A 65 4.104 10.884 -8.265 1.00 0.00 C ATOM 1053 CD LYS A 65 3.974 11.210 -9.744 1.00 0.00 C ATOM 1054 CE LYS A 65 2.547 11.585 -10.106 1.00 0.00 C ATOM 1055 NZ LYS A 65 2.265 13.023 -9.843 1.00 0.00 N1+ ATOM 0 H LYS A 65 6.046 8.713 -6.829 1.00 0.00 H new ATOM 0 HA LYS A 65 6.069 9.725 -9.506 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.593 10.775 -6.732 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.947 11.937 -7.995 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.698 9.891 -8.073 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.511 11.589 -7.682 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.643 12.032 -9.997 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.287 10.350 -10.336 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.371 11.368 -11.160 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.854 10.969 -9.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.281 13.237 -10.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.408 13.226 -8.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.909 13.612 -10.409 1.00 0.00 H new ATOM 1069 N LYS A 66 8.665 10.250 -7.573 1.00 0.00 N ATOM 1070 CA LYS A 66 10.044 10.719 -7.554 1.00 0.00 C ATOM 1071 C LYS A 66 10.884 9.990 -8.597 1.00 0.00 C ATOM 1072 O LYS A 66 11.878 10.524 -9.091 1.00 0.00 O ATOM 1073 CB LYS A 66 10.653 10.521 -6.164 1.00 0.00 C ATOM 1074 CG LYS A 66 10.131 11.499 -5.124 1.00 0.00 C ATOM 1075 CD LYS A 66 11.142 12.593 -4.829 1.00 0.00 C ATOM 1076 CE LYS A 66 11.946 12.284 -3.576 1.00 0.00 C ATOM 1077 NZ LYS A 66 12.526 13.515 -2.970 1.00 0.00 N1+ ATOM 0 H LYS A 66 8.376 9.758 -6.727 1.00 0.00 H new ATOM 0 HA LYS A 66 10.042 11.782 -7.795 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.449 9.504 -5.829 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.736 10.622 -6.234 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.202 11.947 -5.478 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.896 10.963 -4.205 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.817 12.705 -5.678 1.00 0.00 H new ATOM 0 HD3 LYS A 66 10.625 13.544 -4.706 1.00 0.00 H new ATOM 0 HE2 LYS A 66 11.305 11.788 -2.847 1.00 0.00 H new ATOM 0 HE3 LYS A 66 12.748 11.588 -3.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 13.066 13.261 -2.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 13.157 13.975 -3.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 11.760 14.169 -2.712 1.00 0.00 H new ATOM 1091 N LEU A 67 10.480 8.768 -8.928 1.00 0.00 N ATOM 1092 CA LEU A 67 11.199 7.967 -9.912 1.00 0.00 C ATOM 1093 C LEU A 67 10.517 8.035 -11.275 1.00 0.00 C ATOM 1094 O LEU A 67 11.149 7.627 -12.273 1.00 0.00 O ATOM 1095 CB LEU A 67 11.304 6.512 -9.435 1.00 0.00 C ATOM 1096 CG LEU A 67 10.078 5.635 -9.707 1.00 0.00 C ATOM 1097 CD1 LEU A 67 10.109 5.094 -11.130 1.00 0.00 C ATOM 1098 CD2 LEU A 67 10.003 4.495 -8.702 1.00 0.00 C ATOM 1099 OXT LEU A 67 9.358 8.497 -11.334 1.00 0.00 O ATOM 0 H LEU A 67 9.660 8.311 -8.530 1.00 0.00 H new ATOM 0 HA LEU A 67 12.204 8.375 -10.018 1.00 0.00 H new ATOM 0 HB2 LEU A 67 12.169 6.053 -9.913 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.496 6.513 -8.362 1.00 0.00 H new ATOM 0 HG LEU A 67 9.185 6.250 -9.595 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.230 4.474 -11.303 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.111 5.925 -11.835 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.009 4.495 -11.272 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.126 3.883 -8.911 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.901 3.882 -8.780 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.929 4.903 -7.694 1.00 0.00 H new TER 1111 LEU A 67