USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 582 hydrogens (5 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 LYS NZ :NH3+ -163:sc= 0.678 (180deg=-0.596) USER MOD Set 1.2: A 59 LYS NZ :NH3+ -160:sc= -0.304 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 140:sc= -0.976 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -111:sc= -0.866 (180deg=-2.85!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 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 65 LYS NZ :NH3+ -125:sc= 0.058 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 HTS O1 : rot 171:sc= 0.967 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.175 -5.549 13.181 1.00 0.00 N ATOM 2 CA GLY A 1 -14.659 -4.331 13.890 1.00 0.00 C ATOM 3 C GLY A 1 -14.575 -3.088 13.026 1.00 0.00 C ATOM 4 O GLY A 1 -15.576 -2.403 12.813 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.252 -6.372 13.812 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.753 -5.709 12.331 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.181 -5.417 12.904 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.692 -4.483 14.204 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.069 -4.182 14.795 1.00 0.00 H new ATOM 10 N SER A 2 -13.378 -2.794 12.530 1.00 0.00 N ATOM 11 CA SER A 2 -13.166 -1.624 11.686 1.00 0.00 C ATOM 12 C SER A 2 -12.717 -2.037 10.288 1.00 0.00 C ATOM 13 O SER A 2 -12.227 -3.148 10.085 1.00 0.00 O ATOM 14 CB SER A 2 -12.124 -0.698 12.316 1.00 0.00 C ATOM 15 OG SER A 2 -12.287 0.635 11.864 1.00 0.00 O ATOM 0 H SER A 2 -12.540 -3.350 12.698 1.00 0.00 H new ATOM 0 HA SER A 2 -14.113 -1.090 11.601 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.213 -0.731 13.402 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.123 -1.050 12.068 1.00 0.00 H new ATOM 0 HG SER A 2 -12.148 1.253 12.612 1.00 0.00 H new ATOM 21 N ARG A 3 -12.885 -1.135 9.326 1.00 0.00 N ATOM 22 CA ARG A 3 -12.495 -1.407 7.947 1.00 0.00 C ATOM 23 C ARG A 3 -11.236 -0.631 7.575 1.00 0.00 C ATOM 24 O ARG A 3 -10.244 -1.211 7.137 1.00 0.00 O ATOM 25 CB ARG A 3 -13.633 -1.044 6.991 1.00 0.00 C ATOM 26 CG ARG A 3 -13.764 -1.999 5.815 1.00 0.00 C ATOM 27 CD ARG A 3 -14.005 -1.251 4.512 1.00 0.00 C ATOM 28 NE ARG A 3 -14.633 -2.100 3.503 1.00 0.00 N ATOM 29 CZ ARG A 3 -14.763 -1.757 2.223 1.00 0.00 C ATOM 30 NH1 ARG A 3 -14.312 -0.584 1.793 1.00 0.00 N ATOM 31 NH2 ARG A 3 -15.348 -2.587 1.370 1.00 0.00 N ATOM 0 H ARG A 3 -13.288 -0.210 9.476 1.00 0.00 H new ATOM 0 HA ARG A 3 -12.283 -2.473 7.859 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -14.572 -1.031 7.545 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -13.472 -0.034 6.613 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -12.858 -2.598 5.729 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.587 -2.690 5.996 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -14.639 -0.385 4.703 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -13.057 -0.874 4.129 1.00 0.00 H new ATOM 0 HE ARG A 3 -14.993 -3.008 3.796 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -13.863 0.060 2.445 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -14.415 -0.327 0.811 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -15.698 -3.488 1.694 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -15.448 -2.324 0.390 1.00 0.00 H new ATOM 45 N VAL A 4 -11.284 0.686 7.755 1.00 0.00 N ATOM 46 CA VAL A 4 -10.146 1.541 7.440 1.00 0.00 C ATOM 47 C VAL A 4 -8.997 1.303 8.415 1.00 0.00 C ATOM 48 O VAL A 4 -7.832 1.264 8.018 1.00 0.00 O ATOM 49 CB VAL A 4 -10.535 3.030 7.477 1.00 0.00 C ATOM 50 CG1 VAL A 4 -9.397 3.893 6.953 1.00 0.00 C ATOM 51 CG2 VAL A 4 -11.808 3.270 6.678 1.00 0.00 C ATOM 0 H VAL A 4 -12.098 1.183 8.117 1.00 0.00 H new ATOM 0 HA VAL A 4 -9.824 1.283 6.431 1.00 0.00 H new ATOM 0 HB VAL A 4 -10.726 3.311 8.513 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.691 4.942 6.987 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -8.512 3.744 7.572 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.172 3.612 5.924 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -12.067 4.328 6.716 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.649 2.972 5.642 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -12.621 2.682 7.104 1.00 0.00 H new ATOM 61 N LYS A 5 -9.334 1.144 9.691 1.00 0.00 N ATOM 62 CA LYS A 5 -8.330 0.908 10.724 1.00 0.00 C ATOM 63 C LYS A 5 -7.488 -0.321 10.391 1.00 0.00 C ATOM 64 O LYS A 5 -6.306 -0.387 10.724 1.00 0.00 O ATOM 65 CB LYS A 5 -9.005 0.729 12.087 1.00 0.00 C ATOM 66 CG LYS A 5 -8.579 1.763 13.116 1.00 0.00 C ATOM 67 CD LYS A 5 -9.700 2.064 14.099 1.00 0.00 C ATOM 68 CE LYS A 5 -9.159 2.383 15.485 1.00 0.00 C ATOM 69 NZ LYS A 5 -9.540 3.753 15.927 1.00 0.00 N ATOM 0 H LYS A 5 -10.294 1.174 10.035 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.672 1.776 10.765 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -10.086 0.781 11.958 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.777 -0.266 12.468 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -7.706 1.400 13.658 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.281 2.681 12.609 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.288 2.906 13.735 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.372 1.208 14.158 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -9.538 1.652 16.200 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.073 2.292 15.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.153 3.932 16.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.157 4.452 15.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.577 3.833 15.956 1.00 0.00 H new ATOM 83 N ALA A 6 -8.109 -1.291 9.727 1.00 0.00 N ATOM 84 CA ALA A 6 -7.421 -2.516 9.343 1.00 0.00 C ATOM 85 C ALA A 6 -6.595 -2.308 8.076 1.00 0.00 C ATOM 86 O ALA A 6 -5.610 -3.006 7.843 1.00 0.00 O ATOM 87 CB ALA A 6 -8.422 -3.644 9.142 1.00 0.00 C ATOM 0 H ALA A 6 -9.088 -1.251 9.444 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.740 -2.788 10.150 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.893 -4.553 8.855 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.965 -3.818 10.071 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.126 -3.370 8.356 1.00 0.00 H new ATOM 93 N LEU A 7 -7.009 -1.343 7.261 1.00 0.00 N ATOM 94 CA LEU A 7 -6.314 -1.038 6.017 1.00 0.00 C ATOM 95 C LEU A 7 -4.923 -0.471 6.286 1.00 0.00 C ATOM 96 O LEU A 7 -4.013 -0.617 5.469 1.00 0.00 O ATOM 97 CB LEU A 7 -7.131 -0.040 5.193 1.00 0.00 C ATOM 98 CG LEU A 7 -7.145 -0.298 3.686 1.00 0.00 C ATOM 99 CD1 LEU A 7 -8.006 0.735 2.975 1.00 0.00 C ATOM 100 CD2 LEU A 7 -5.728 -0.286 3.131 1.00 0.00 C ATOM 0 H LEU A 7 -7.825 -0.758 7.441 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.201 -1.966 5.457 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.159 -0.048 5.556 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.738 0.961 5.371 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.576 -1.283 3.509 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.004 0.535 1.903 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.027 0.679 3.352 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.605 1.732 3.159 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.756 -0.471 2.057 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.272 0.686 3.320 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.140 -1.064 3.618 1.00 0.00 H new ATOM 112 N GLU A 8 -4.768 0.186 7.431 1.00 0.00 N ATOM 113 CA GLU A 8 -3.492 0.786 7.803 1.00 0.00 C ATOM 114 C GLU A 8 -2.506 -0.263 8.311 1.00 0.00 C ATOM 115 O GLU A 8 -1.296 -0.119 8.140 1.00 0.00 O ATOM 116 CB GLU A 8 -3.706 1.861 8.869 1.00 0.00 C ATOM 117 CG GLU A 8 -4.381 3.116 8.338 1.00 0.00 C ATOM 118 CD GLU A 8 -4.780 4.076 9.441 1.00 0.00 C ATOM 119 OE1 GLU A 8 -5.812 3.828 10.099 1.00 0.00 O ATOM 120 OE2 GLU A 8 -4.061 5.076 9.646 1.00 0.00 O ATOM 0 H GLU A 8 -5.511 0.316 8.118 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.066 1.242 6.909 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.311 1.446 9.676 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.742 2.131 9.300 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.706 3.622 7.648 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.267 2.834 7.769 1.00 0.00 H new ATOM 127 N GLU A 9 -3.024 -1.314 8.938 1.00 0.00 N ATOM 128 CA GLU A 9 -2.176 -2.377 9.468 1.00 0.00 C ATOM 129 C GLU A 9 -1.689 -3.304 8.355 1.00 0.00 C ATOM 130 O GLU A 9 -0.679 -3.991 8.506 1.00 0.00 O ATOM 131 CB GLU A 9 -2.928 -3.182 10.533 1.00 0.00 C ATOM 132 CG GLU A 9 -4.070 -4.022 9.981 1.00 0.00 C ATOM 133 CD GLU A 9 -4.381 -5.224 10.851 1.00 0.00 C ATOM 134 OE1 GLU A 9 -3.547 -6.151 10.903 1.00 0.00 O ATOM 135 OE2 GLU A 9 -5.460 -5.237 11.480 1.00 0.00 O ATOM 0 H GLU A 9 -4.023 -1.453 9.091 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.304 -1.910 9.927 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.223 -3.837 11.044 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.324 -2.495 11.281 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.962 -3.402 9.891 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.815 -4.361 8.977 1.00 0.00 H new ATOM 142 N LYS A 10 -2.416 -3.325 7.241 1.00 0.00 N ATOM 143 CA LYS A 10 -2.059 -4.174 6.111 1.00 0.00 C ATOM 144 C LYS A 10 -0.834 -3.631 5.378 1.00 0.00 C ATOM 145 O LYS A 10 0.150 -4.345 5.186 1.00 0.00 O ATOM 146 CB LYS A 10 -3.241 -4.287 5.142 1.00 0.00 C ATOM 147 CG LYS A 10 -3.724 -5.713 4.939 1.00 0.00 C ATOM 148 CD LYS A 10 -5.174 -5.750 4.485 1.00 0.00 C ATOM 149 CE LYS A 10 -5.334 -5.190 3.080 1.00 0.00 C ATOM 150 NZ LYS A 10 -5.591 -6.262 2.080 1.00 0.00 N ATOM 0 H LYS A 10 -3.255 -2.764 7.098 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.814 -5.163 6.497 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.067 -3.682 5.517 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.951 -3.869 4.178 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.097 -6.209 4.198 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.619 -6.270 5.870 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.538 -6.777 4.512 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.788 -5.176 5.179 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.157 -4.476 3.066 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.433 -4.643 2.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.694 -5.838 1.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.794 -6.930 2.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.465 -6.767 2.330 1.00 0.00 H new ATOM 164 N VAL A 11 -0.906 -2.370 4.969 1.00 0.00 N ATOM 165 CA VAL A 11 0.193 -1.731 4.253 1.00 0.00 C ATOM 166 C VAL A 11 1.425 -1.585 5.137 1.00 0.00 C ATOM 167 O VAL A 11 2.551 -1.583 4.647 1.00 0.00 O ATOM 168 CB VAL A 11 -0.209 -0.344 3.717 1.00 0.00 C ATOM 169 CG1 VAL A 11 0.890 0.232 2.834 1.00 0.00 C ATOM 170 CG2 VAL A 11 -1.526 -0.424 2.958 1.00 0.00 C ATOM 0 H VAL A 11 -1.715 -1.768 5.121 1.00 0.00 H new ATOM 0 HA VAL A 11 0.432 -2.381 3.411 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.346 0.325 4.567 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.585 1.212 2.466 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.808 0.331 3.414 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.065 -0.434 1.989 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.793 0.566 2.587 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.421 -1.110 2.118 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.309 -0.785 3.625 1.00 0.00 H new ATOM 180 N LYS A 12 1.201 -1.454 6.437 1.00 0.00 N ATOM 181 CA LYS A 12 2.292 -1.304 7.396 1.00 0.00 C ATOM 182 C LYS A 12 3.232 -2.501 7.333 1.00 0.00 C ATOM 183 O LYS A 12 4.449 -2.355 7.449 1.00 0.00 O ATOM 184 CB LYS A 12 1.737 -1.145 8.813 1.00 0.00 C ATOM 185 CG LYS A 12 2.733 -0.546 9.793 1.00 0.00 C ATOM 186 CD LYS A 12 2.156 -0.474 11.197 1.00 0.00 C ATOM 187 CE LYS A 12 2.629 -1.639 12.053 1.00 0.00 C ATOM 188 NZ LYS A 12 1.753 -1.848 13.238 1.00 0.00 N ATOM 0 H LYS A 12 0.271 -1.448 6.855 1.00 0.00 H new ATOM 0 HA LYS A 12 2.855 -0.408 7.136 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.850 -0.513 8.778 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.419 -2.120 9.181 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.642 -1.147 9.802 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.015 0.454 9.462 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.450 0.466 11.665 1.00 0.00 H new ATOM 0 HD3 LYS A 12 1.067 -0.477 11.145 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.648 -2.548 11.451 1.00 0.00 H new ATOM 0 HE3 LYS A 12 3.651 -1.455 12.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.109 -2.651 13.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 1.754 -0.990 13.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 0.783 -2.049 12.921 1.00 0.00 H new ATOM 202 N ALA A 13 2.662 -3.681 7.120 1.00 0.00 N ATOM 203 CA ALA A 13 3.454 -4.900 7.009 1.00 0.00 C ATOM 204 C ALA A 13 4.041 -4.994 5.607 1.00 0.00 C ATOM 205 O ALA A 13 5.064 -5.641 5.380 1.00 0.00 O ATOM 206 CB ALA A 13 2.603 -6.122 7.319 1.00 0.00 C ATOM 0 H ALA A 13 1.656 -3.820 7.021 1.00 0.00 H new ATOM 0 HA ALA A 13 4.267 -4.867 7.735 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.212 -7.022 7.231 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.213 -6.046 8.334 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.773 -6.175 6.615 1.00 0.00 H new ATOM 212 N LEU A 14 3.374 -4.321 4.678 1.00 0.00 N ATOM 213 CA LEU A 14 3.784 -4.276 3.286 1.00 0.00 C ATOM 214 C LEU A 14 5.127 -3.561 3.138 1.00 0.00 C ATOM 215 O LEU A 14 5.863 -3.790 2.179 1.00 0.00 O ATOM 216 CB LEU A 14 2.703 -3.552 2.480 1.00 0.00 C ATOM 217 CG LEU A 14 2.609 -3.939 1.003 1.00 0.00 C ATOM 218 CD1 LEU A 14 1.181 -4.327 0.652 1.00 0.00 C ATOM 219 CD2 LEU A 14 3.082 -2.799 0.114 1.00 0.00 C ATOM 0 H LEU A 14 2.527 -3.788 4.874 1.00 0.00 H new ATOM 0 HA LEU A 14 3.907 -5.292 2.911 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.737 -3.742 2.949 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.884 -2.479 2.545 1.00 0.00 H new ATOM 0 HG LEU A 14 3.259 -4.797 0.831 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.127 -4.600 -0.402 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.874 -5.176 1.263 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.517 -3.483 0.843 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.006 -3.097 -0.932 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.460 -1.921 0.287 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.119 -2.561 0.349 1.00 0.00 H new ATOM 231 N GLU A 15 5.431 -2.686 4.095 1.00 0.00 N ATOM 232 CA GLU A 15 6.672 -1.923 4.084 1.00 0.00 C ATOM 233 C GLU A 15 7.847 -2.773 4.559 1.00 0.00 C ATOM 234 O GLU A 15 8.936 -2.717 3.986 1.00 0.00 O ATOM 235 CB GLU A 15 6.518 -0.680 4.970 1.00 0.00 C ATOM 236 CG GLU A 15 7.820 0.063 5.227 1.00 0.00 C ATOM 237 CD GLU A 15 7.607 1.379 5.951 1.00 0.00 C ATOM 238 OE1 GLU A 15 6.584 1.509 6.655 1.00 0.00 O ATOM 239 OE2 GLU A 15 8.464 2.276 5.815 1.00 0.00 O ATOM 0 H GLU A 15 4.827 -2.489 4.893 1.00 0.00 H new ATOM 0 HA GLU A 15 6.880 -1.614 3.060 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.809 0.002 4.501 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.088 -0.979 5.926 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.484 -0.569 5.817 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.320 0.252 4.277 1.00 0.00 H new ATOM 246 N GLU A 16 7.624 -3.560 5.607 1.00 0.00 N ATOM 247 CA GLU A 16 8.668 -4.419 6.155 1.00 0.00 C ATOM 248 C GLU A 16 9.247 -5.331 5.079 1.00 0.00 C ATOM 249 O GLU A 16 10.423 -5.696 5.127 1.00 0.00 O ATOM 250 CB GLU A 16 8.111 -5.259 7.306 1.00 0.00 C ATOM 251 CG GLU A 16 7.489 -4.432 8.418 1.00 0.00 C ATOM 252 CD GLU A 16 8.392 -4.307 9.629 1.00 0.00 C ATOM 253 OE1 GLU A 16 9.176 -5.246 9.883 1.00 0.00 O ATOM 254 OE2 GLU A 16 8.317 -3.272 10.323 1.00 0.00 O ATOM 0 H GLU A 16 6.730 -3.621 6.094 1.00 0.00 H new ATOM 0 HA GLU A 16 9.468 -3.781 6.531 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.362 -5.946 6.913 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.914 -5.867 7.723 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.257 -3.437 8.039 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.545 -4.887 8.719 1.00 0.00 H new ATOM 261 N LYS A 17 8.415 -5.698 4.111 1.00 0.00 N ATOM 262 CA LYS A 17 8.843 -6.569 3.023 1.00 0.00 C ATOM 263 C LYS A 17 9.691 -5.809 2.007 1.00 0.00 C ATOM 264 O LYS A 17 10.709 -6.314 1.534 1.00 0.00 O ATOM 265 CB LYS A 17 7.626 -7.183 2.328 1.00 0.00 C ATOM 266 CG LYS A 17 7.925 -8.496 1.624 1.00 0.00 C ATOM 267 CD LYS A 17 7.022 -8.698 0.418 1.00 0.00 C ATOM 268 CE LYS A 17 6.922 -10.166 0.036 1.00 0.00 C ATOM 269 NZ LYS A 17 8.104 -10.618 -0.749 1.00 0.00 N ATOM 0 H LYS A 17 7.439 -5.406 4.058 1.00 0.00 H new ATOM 0 HA LYS A 17 9.454 -7.364 3.451 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.841 -7.347 3.066 1.00 0.00 H new ATOM 0 HB3 LYS A 17 7.236 -6.471 1.601 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.968 -8.511 1.306 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.793 -9.323 2.322 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.028 -8.310 0.638 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.408 -8.127 -0.426 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.833 -10.771 0.939 1.00 0.00 H new ATOM 0 HE3 LYS A 17 6.015 -10.328 -0.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.997 -11.624 -0.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.175 -10.059 -1.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.967 -10.487 -0.183 1.00 0.00 H new ATOM 283 N VAL A 18 9.264 -4.596 1.672 1.00 0.00 N ATOM 284 CA VAL A 18 9.985 -3.773 0.706 1.00 0.00 C ATOM 285 C VAL A 18 11.272 -3.214 1.300 1.00 0.00 C ATOM 286 O VAL A 18 12.347 -3.360 0.719 1.00 0.00 O ATOM 287 CB VAL A 18 9.129 -2.598 0.202 1.00 0.00 C ATOM 288 CG1 VAL A 18 9.698 -2.042 -1.094 1.00 0.00 C ATOM 289 CG2 VAL A 18 7.677 -3.019 0.019 1.00 0.00 C ATOM 0 H VAL A 18 8.424 -4.161 2.054 1.00 0.00 H new ATOM 0 HA VAL A 18 10.223 -4.429 -0.132 1.00 0.00 H new ATOM 0 HB VAL A 18 9.156 -1.810 0.955 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.080 -1.212 -1.436 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.716 -1.691 -0.923 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.707 -2.824 -1.853 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.094 -2.170 -0.338 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.622 -3.828 -0.709 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.274 -3.360 0.973 1.00 0.00 H new ATOM 299 N LYS A 19 11.157 -2.568 2.456 1.00 0.00 N ATOM 300 CA LYS A 19 12.315 -1.980 3.123 1.00 0.00 C ATOM 301 C LYS A 19 13.460 -2.984 3.239 1.00 0.00 C ATOM 302 O LYS A 19 14.631 -2.608 3.219 1.00 0.00 O ATOM 303 CB LYS A 19 11.925 -1.471 4.512 1.00 0.00 C ATOM 304 CG LYS A 19 11.265 -0.102 4.494 1.00 0.00 C ATOM 305 CD LYS A 19 11.987 0.881 5.402 1.00 0.00 C ATOM 306 CE LYS A 19 11.492 2.302 5.190 1.00 0.00 C ATOM 307 NZ LYS A 19 11.531 3.098 6.447 1.00 0.00 N ATOM 0 H LYS A 19 10.275 -2.438 2.951 1.00 0.00 H new ATOM 0 HA LYS A 19 12.659 -1.142 2.516 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.246 -2.187 4.975 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.817 -1.427 5.138 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.255 0.284 3.475 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.226 -0.194 4.810 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.837 0.594 6.443 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.059 0.836 5.210 1.00 0.00 H new ATOM 0 HE2 LYS A 19 12.105 2.790 4.432 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.472 2.277 4.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.185 4.061 6.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.926 2.647 7.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 12.509 3.144 6.799 1.00 0.00 H new ATOM 321 N ALA A 20 13.112 -4.262 3.357 1.00 0.00 N ATOM 322 CA ALA A 20 14.113 -5.318 3.474 1.00 0.00 C ATOM 323 C ALA A 20 14.476 -5.895 2.106 1.00 0.00 C ATOM 324 O ALA A 20 15.439 -6.652 1.979 1.00 0.00 O ATOM 325 CB ALA A 20 13.608 -6.419 4.393 1.00 0.00 C ATOM 0 H ALA A 20 12.147 -4.591 3.374 1.00 0.00 H new ATOM 0 HA ALA A 20 15.015 -4.881 3.902 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.363 -7.201 4.473 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.409 -6.005 5.381 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.690 -6.841 3.985 1.00 0.00 H new ATOM 331 N LEU A 21 13.700 -5.535 1.089 1.00 0.00 N ATOM 332 CA LEU A 21 13.935 -6.016 -0.265 1.00 0.00 C ATOM 333 C LEU A 21 15.171 -5.357 -0.871 1.00 0.00 C ATOM 334 O LEU A 21 16.197 -6.006 -1.073 1.00 0.00 O ATOM 335 CB LEU A 21 12.709 -5.734 -1.135 1.00 0.00 C ATOM 336 CG LEU A 21 12.255 -6.896 -2.016 1.00 0.00 C ATOM 337 CD1 LEU A 21 10.987 -6.530 -2.770 1.00 0.00 C ATOM 338 CD2 LEU A 21 13.360 -7.293 -2.985 1.00 0.00 C ATOM 0 H LEU A 21 12.900 -4.909 1.179 1.00 0.00 H new ATOM 0 HA LEU A 21 14.109 -7.091 -0.224 1.00 0.00 H new ATOM 0 HB2 LEU A 21 11.882 -5.446 -0.486 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.926 -4.878 -1.774 1.00 0.00 H new ATOM 0 HG LEU A 21 12.037 -7.750 -1.375 1.00 0.00 H new ATOM 0 HD11 LEU A 21 10.679 -7.370 -3.392 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.195 -6.296 -2.058 1.00 0.00 H new ATOM 0 HD13 LEU A 21 11.177 -5.661 -3.401 1.00 0.00 H new ATOM 0 HD21 LEU A 21 13.020 -8.122 -3.605 1.00 0.00 H new ATOM 0 HD22 LEU A 21 13.609 -6.443 -3.621 1.00 0.00 H new ATOM 0 HD23 LEU A 21 14.243 -7.598 -2.424 1.00 0.00 H new ATOM 350 N GLY A 22 15.064 -4.064 -1.159 1.00 0.00 N ATOM 351 CA GLY A 22 16.179 -3.337 -1.739 1.00 0.00 C ATOM 352 C GLY A 22 15.744 -2.055 -2.419 1.00 0.00 C ATOM 353 O GLY A 22 15.129 -1.191 -1.794 1.00 0.00 O ATOM 0 H GLY A 22 14.225 -3.506 -1.001 1.00 0.00 H new ATOM 0 HA2 GLY A 22 16.902 -3.103 -0.958 1.00 0.00 H new ATOM 0 HA3 GLY A 22 16.687 -3.974 -2.463 1.00 0.00 H new ATOM 357 N GLY A 23 16.062 -1.930 -3.703 1.00 0.00 N ATOM 358 CA GLY A 23 15.690 -0.741 -4.446 1.00 0.00 C ATOM 359 C GLY A 23 16.387 -0.654 -5.790 1.00 0.00 C ATOM 360 O GLY A 23 17.611 -0.767 -5.871 1.00 0.00 O ATOM 0 H GLY A 23 16.571 -2.631 -4.242 1.00 0.00 H new ATOM 0 HA2 GLY A 23 14.611 -0.735 -4.599 1.00 0.00 H new ATOM 0 HA3 GLY A 23 15.933 0.143 -3.856 1.00 0.00 H new ATOM 364 N GLY A 24 15.608 -0.450 -6.846 1.00 0.00 N ATOM 365 CA GLY A 24 16.175 -0.351 -8.179 1.00 0.00 C ATOM 366 C GLY A 24 15.368 -1.113 -9.211 1.00 0.00 C ATOM 367 O GLY A 24 15.611 -2.296 -9.448 1.00 0.00 O ATOM 0 H GLY A 24 14.594 -0.351 -6.804 1.00 0.00 H new ATOM 0 HA2 GLY A 24 16.232 0.698 -8.469 1.00 0.00 H new ATOM 0 HA3 GLY A 24 17.196 -0.734 -8.166 1.00 0.00 H new ATOM 371 N GLY A 25 14.407 -0.433 -9.828 1.00 0.00 N ATOM 372 CA GLY A 25 13.577 -1.070 -10.835 1.00 0.00 C ATOM 373 C GLY A 25 12.154 -1.290 -10.360 1.00 0.00 C ATOM 374 O GLY A 25 11.434 -0.334 -10.071 1.00 0.00 O ATOM 0 H GLY A 25 14.188 0.547 -9.649 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.565 -0.454 -11.734 1.00 0.00 H new ATOM 0 HA3 GLY A 25 14.017 -2.028 -11.111 1.00 0.00 H new ATOM 378 N ARG A 26 11.747 -2.553 -10.283 1.00 0.00 N ATOM 379 CA ARG A 26 10.399 -2.897 -9.841 1.00 0.00 C ATOM 380 C ARG A 26 10.125 -2.348 -8.445 1.00 0.00 C ATOM 381 O ARG A 26 9.055 -1.802 -8.179 1.00 0.00 O ATOM 382 CB ARG A 26 10.215 -4.420 -9.842 1.00 0.00 C ATOM 383 CG ARG A 26 8.872 -4.888 -10.392 1.00 0.00 C ATOM 384 CD ARG A 26 7.729 -3.978 -9.968 1.00 0.00 C ATOM 385 NE ARG A 26 7.462 -2.936 -10.958 1.00 0.00 N ATOM 386 CZ ARG A 26 6.587 -1.950 -10.778 1.00 0.00 C ATOM 387 NH1 ARG A 26 5.895 -1.866 -9.648 1.00 0.00 N ATOM 388 NH2 ARG A 26 6.403 -1.045 -11.730 1.00 0.00 N ATOM 0 H ARG A 26 12.330 -3.355 -10.521 1.00 0.00 H new ATOM 0 HA ARG A 26 9.691 -2.446 -10.536 1.00 0.00 H new ATOM 0 HB2 ARG A 26 11.013 -4.871 -10.432 1.00 0.00 H new ATOM 0 HB3 ARG A 26 10.325 -4.789 -8.822 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.920 -4.925 -11.480 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.674 -5.903 -10.047 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.829 -4.573 -9.817 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.970 -3.515 -9.011 1.00 0.00 H new ATOM 0 HE ARG A 26 7.977 -2.967 -11.838 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.033 -2.559 -8.913 1.00 0.00 H new ATOM 0 HH12 ARG A 26 5.225 -1.108 -9.515 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.932 -1.105 -12.600 1.00 0.00 H new ATOM 0 HH22 ARG A 26 5.732 -0.289 -11.592 1.00 0.00 H new ATOM 402 N ILE A 27 11.097 -2.505 -7.556 1.00 0.00 N ATOM 403 CA ILE A 27 10.967 -2.037 -6.181 1.00 0.00 C ATOM 404 C ILE A 27 10.859 -0.515 -6.108 1.00 0.00 C ATOM 405 O ILE A 27 10.246 0.025 -5.189 1.00 0.00 O ATOM 406 CB ILE A 27 12.156 -2.497 -5.315 1.00 0.00 C ATOM 407 CG1 ILE A 27 12.366 -4.006 -5.455 1.00 0.00 C ATOM 408 CG2 ILE A 27 11.930 -2.124 -3.858 1.00 0.00 C ATOM 409 CD1 ILE A 27 13.818 -4.425 -5.368 1.00 0.00 C ATOM 0 H ILE A 27 11.989 -2.955 -7.763 1.00 0.00 H new ATOM 0 HA ILE A 27 10.048 -2.476 -5.793 1.00 0.00 H new ATOM 0 HB ILE A 27 13.055 -1.989 -5.665 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.801 -4.517 -4.675 1.00 0.00 H new ATOM 0 HG13 ILE A 27 11.958 -4.334 -6.411 1.00 0.00 H new ATOM 0 HG21 ILE A 27 12.779 -2.457 -3.261 1.00 0.00 H new ATOM 0 HG22 ILE A 27 11.827 -1.042 -3.771 1.00 0.00 H new ATOM 0 HG23 ILE A 27 11.022 -2.605 -3.496 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.891 -5.507 -5.475 1.00 0.00 H new ATOM 0 HD12 ILE A 27 14.384 -3.942 -6.164 1.00 0.00 H new ATOM 0 HD13 ILE A 27 14.225 -4.128 -4.402 1.00 0.00 H new ATOM 421 N GLU A 28 11.471 0.171 -7.068 1.00 0.00 N ATOM 422 CA GLU A 28 11.452 1.633 -7.097 1.00 0.00 C ATOM 423 C GLU A 28 10.025 2.179 -7.154 1.00 0.00 C ATOM 424 O GLU A 28 9.623 2.974 -6.304 1.00 0.00 O ATOM 425 CB GLU A 28 12.251 2.146 -8.296 1.00 0.00 C ATOM 426 CG GLU A 28 12.325 3.663 -8.373 1.00 0.00 C ATOM 427 CD GLU A 28 11.553 4.226 -9.551 1.00 0.00 C ATOM 428 OE1 GLU A 28 11.974 3.989 -10.703 1.00 0.00 O ATOM 429 OE2 GLU A 28 10.529 4.904 -9.321 1.00 0.00 O ATOM 0 H GLU A 28 11.986 -0.259 -7.836 1.00 0.00 H new ATOM 0 HA GLU A 28 11.910 1.987 -6.174 1.00 0.00 H new ATOM 0 HB2 GLU A 28 13.263 1.743 -8.247 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.800 1.765 -9.212 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.933 4.089 -7.450 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.369 3.969 -8.448 1.00 0.00 H new ATOM 436 N GLU A 29 9.267 1.756 -8.162 1.00 0.00 N ATOM 437 CA GLU A 29 7.889 2.214 -8.327 1.00 0.00 C ATOM 438 C GLU A 29 7.046 1.878 -7.101 1.00 0.00 C ATOM 439 O GLU A 29 6.305 2.719 -6.593 1.00 0.00 O ATOM 440 CB GLU A 29 7.267 1.579 -9.575 1.00 0.00 C ATOM 441 CG GLU A 29 5.808 1.956 -9.793 1.00 0.00 C ATOM 442 CD GLU A 29 5.614 2.887 -10.975 1.00 0.00 C ATOM 443 OE1 GLU A 29 6.123 4.026 -10.923 1.00 0.00 O ATOM 444 OE2 GLU A 29 4.954 2.475 -11.953 1.00 0.00 O ATOM 0 H GLU A 29 9.582 1.099 -8.876 1.00 0.00 H new ATOM 0 HA GLU A 29 7.907 3.298 -8.444 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.845 1.878 -10.450 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.345 0.495 -9.497 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.222 1.050 -9.949 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.422 2.434 -8.892 1.00 0.00 H new ATOM 451 N LEU A 30 7.161 0.641 -6.640 1.00 0.00 N ATOM 452 CA LEU A 30 6.410 0.174 -5.482 1.00 0.00 C ATOM 453 C LEU A 30 6.689 1.022 -4.244 1.00 0.00 C ATOM 454 O LEU A 30 5.905 1.018 -3.298 1.00 0.00 O ATOM 455 CB LEU A 30 6.746 -1.288 -5.192 1.00 0.00 C ATOM 456 CG LEU A 30 6.406 -2.261 -6.319 1.00 0.00 C ATOM 457 CD1 LEU A 30 6.986 -3.639 -6.034 1.00 0.00 C ATOM 458 CD2 LEU A 30 4.899 -2.340 -6.511 1.00 0.00 C ATOM 0 H LEU A 30 7.772 -0.063 -7.054 1.00 0.00 H new ATOM 0 HA LEU A 30 5.350 0.267 -5.720 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.811 -1.365 -4.974 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.214 -1.597 -4.292 1.00 0.00 H new ATOM 0 HG LEU A 30 6.853 -1.891 -7.242 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.732 -4.316 -6.849 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.070 -3.567 -5.947 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.572 -4.022 -5.101 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.671 -3.037 -7.317 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.432 -2.687 -5.589 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.512 -1.353 -6.765 1.00 0.00 H new ATOM 470 N LYS A 31 7.815 1.723 -4.243 1.00 0.00 N ATOM 471 CA LYS A 31 8.202 2.552 -3.106 1.00 0.00 C ATOM 472 C LYS A 31 7.379 3.836 -3.026 1.00 0.00 C ATOM 473 O LYS A 31 6.717 4.091 -2.026 1.00 0.00 O ATOM 474 CB LYS A 31 9.690 2.897 -3.196 1.00 0.00 C ATOM 475 CG LYS A 31 10.235 3.571 -1.948 1.00 0.00 C ATOM 476 CD LYS A 31 11.442 2.831 -1.395 1.00 0.00 C ATOM 477 CE LYS A 31 11.844 3.359 -0.027 1.00 0.00 C ATOM 478 NZ LYS A 31 12.534 2.322 0.789 1.00 0.00 N ATOM 0 H LYS A 31 8.478 1.735 -5.018 1.00 0.00 H new ATOM 0 HA LYS A 31 8.008 1.978 -2.200 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.255 1.984 -3.382 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.851 3.552 -4.052 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.513 4.599 -2.181 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.455 3.616 -1.188 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.216 1.767 -1.323 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.279 2.933 -2.085 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.500 4.221 -0.149 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.957 3.707 0.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.791 2.722 1.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.899 1.510 0.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.394 2.008 0.296 1.00 0.00 H new ATOM 492 N LYS A 32 7.438 4.647 -4.076 1.00 0.00 N ATOM 493 CA LYS A 32 6.708 5.914 -4.110 1.00 0.00 C ATOM 494 C LYS A 32 5.231 5.737 -3.749 1.00 0.00 C ATOM 495 O LYS A 32 4.681 6.500 -2.957 1.00 0.00 O ATOM 496 CB LYS A 32 6.827 6.551 -5.496 1.00 0.00 C ATOM 497 CG LYS A 32 8.156 7.249 -5.733 1.00 0.00 C ATOM 498 CD LYS A 32 8.118 8.109 -6.986 1.00 0.00 C ATOM 499 CE LYS A 32 7.857 7.273 -8.229 1.00 0.00 C ATOM 500 NZ LYS A 32 6.405 7.009 -8.429 1.00 0.00 N ATOM 0 H LYS A 32 7.983 4.452 -4.916 1.00 0.00 H new ATOM 0 HA LYS A 32 7.157 6.568 -3.362 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.691 5.780 -6.254 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.019 7.271 -5.626 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.401 7.870 -4.871 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.948 6.505 -5.825 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.340 8.866 -6.885 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.065 8.638 -7.094 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.255 7.788 -9.103 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.390 6.326 -8.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.210 6.000 -8.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.853 7.580 -7.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.137 7.262 -9.402 1.00 0.00 H new ATOM 514 N LYS A 33 4.595 4.738 -4.349 1.00 0.00 N ATOM 515 CA LYS A 33 3.179 4.467 -4.112 1.00 0.00 C ATOM 516 C LYS A 33 2.931 3.861 -2.730 1.00 0.00 C ATOM 517 O LYS A 33 1.827 3.956 -2.196 1.00 0.00 O ATOM 518 CB LYS A 33 2.633 3.534 -5.196 1.00 0.00 C ATOM 519 CG LYS A 33 1.582 4.183 -6.082 1.00 0.00 C ATOM 520 CD LYS A 33 0.187 4.035 -5.496 1.00 0.00 C ATOM 521 CE LYS A 33 -0.200 2.572 -5.330 1.00 0.00 C ATOM 522 NZ LYS A 33 -1.504 2.266 -5.980 1.00 0.00 N ATOM 0 H LYS A 33 5.039 4.098 -5.007 1.00 0.00 H new ATOM 0 HA LYS A 33 2.655 5.422 -4.151 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.459 3.190 -5.818 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.203 2.652 -4.722 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.814 5.241 -6.208 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.611 3.730 -7.073 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.143 4.535 -4.529 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.535 4.531 -6.144 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.577 1.940 -5.760 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.257 2.330 -4.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.872 1.365 -5.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.182 3.027 -5.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.370 2.192 -7.009 1.00 0.00 H new ATOM 536 N CYS A 34 3.945 3.212 -2.170 1.00 0.00 N ATOM 537 CA CYS A 34 3.816 2.565 -0.864 1.00 0.00 C ATOM 538 C CYS A 34 3.525 3.568 0.254 1.00 0.00 C ATOM 539 O CYS A 34 2.526 3.445 0.965 1.00 0.00 O ATOM 540 CB CYS A 34 5.103 1.807 -0.535 1.00 0.00 C ATOM 541 SG CYS A 34 4.851 0.049 -0.135 1.00 0.00 S ATOM 0 H CYS A 34 4.866 3.118 -2.597 1.00 0.00 H new ATOM 0 HA CYS A 34 2.972 1.878 -0.925 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.782 1.881 -1.384 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.593 2.294 0.309 1.00 0.00 H new ATOM 546 N GLU A 35 4.411 4.544 0.419 1.00 0.00 N ATOM 547 CA GLU A 35 4.260 5.549 1.468 1.00 0.00 C ATOM 548 C GLU A 35 3.103 6.500 1.178 1.00 0.00 C ATOM 549 O GLU A 35 2.229 6.694 2.019 1.00 0.00 O ATOM 550 CB GLU A 35 5.558 6.340 1.645 1.00 0.00 C ATOM 551 CG GLU A 35 6.142 6.843 0.340 1.00 0.00 C ATOM 552 CD GLU A 35 6.451 8.328 0.368 1.00 0.00 C ATOM 553 OE1 GLU A 35 5.700 9.076 1.028 1.00 0.00 O ATOM 554 OE2 GLU A 35 7.441 8.741 -0.269 1.00 0.00 O ATOM 0 H GLU A 35 5.242 4.662 -0.160 1.00 0.00 H new ATOM 0 HA GLU A 35 4.034 5.021 2.394 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.370 7.190 2.301 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.294 5.709 2.144 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.055 6.291 0.119 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.442 6.637 -0.469 1.00 0.00 H new ATOM 561 N GLU A 36 3.098 7.088 -0.013 1.00 0.00 N ATOM 562 CA GLU A 36 2.044 8.016 -0.407 1.00 0.00 C ATOM 563 C GLU A 36 0.664 7.414 -0.153 1.00 0.00 C ATOM 564 O GLU A 36 -0.311 8.130 0.076 1.00 0.00 O ATOM 565 CB GLU A 36 2.189 8.390 -1.883 1.00 0.00 C ATOM 566 CG GLU A 36 1.635 9.766 -2.220 1.00 0.00 C ATOM 567 CD GLU A 36 0.136 9.751 -2.446 1.00 0.00 C ATOM 568 OE1 GLU A 36 -0.354 8.824 -3.124 1.00 0.00 O ATOM 569 OE2 GLU A 36 -0.548 10.667 -1.944 1.00 0.00 O ATOM 0 H GLU A 36 3.814 6.938 -0.724 1.00 0.00 H new ATOM 0 HA GLU A 36 2.143 8.917 0.199 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.244 8.355 -2.156 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.678 7.643 -2.490 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.870 10.457 -1.410 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.130 10.144 -3.115 1.00 0.00 H new ATOM 576 N LEU A 37 0.597 6.090 -0.206 1.00 0.00 N ATOM 577 CA LEU A 37 -0.650 5.367 0.005 1.00 0.00 C ATOM 578 C LEU A 37 -1.099 5.452 1.464 1.00 0.00 C ATOM 579 O LEU A 37 -2.277 5.664 1.748 1.00 0.00 O ATOM 580 CB LEU A 37 -0.472 3.902 -0.414 1.00 0.00 C ATOM 581 CG LEU A 37 -1.567 2.938 0.050 1.00 0.00 C ATOM 582 CD1 LEU A 37 -2.949 3.501 -0.251 1.00 0.00 C ATOM 583 CD2 LEU A 37 -1.391 1.580 -0.611 1.00 0.00 C ATOM 0 H LEU A 37 1.400 5.490 -0.395 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.425 5.827 -0.608 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.414 3.859 -1.502 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.484 3.548 -0.030 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.478 2.815 1.129 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.710 2.798 0.088 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.076 4.451 0.268 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.052 3.658 -1.325 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.177 0.905 -0.271 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.452 1.692 -1.694 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.418 1.168 -0.343 1.00 0.00 H new ATOM 595 N LYS A 38 -0.156 5.279 2.384 1.00 0.00 N ATOM 596 CA LYS A 38 -0.462 5.330 3.812 1.00 0.00 C ATOM 597 C LYS A 38 -1.093 6.666 4.197 1.00 0.00 C ATOM 598 O LYS A 38 -2.204 6.708 4.725 1.00 0.00 O ATOM 599 CB LYS A 38 0.808 5.093 4.633 1.00 0.00 C ATOM 600 CG LYS A 38 0.849 3.731 5.309 1.00 0.00 C ATOM 601 CD LYS A 38 1.322 3.835 6.750 1.00 0.00 C ATOM 602 CE LYS A 38 2.839 3.864 6.839 1.00 0.00 C ATOM 603 NZ LYS A 38 3.317 3.708 8.240 1.00 0.00 N ATOM 0 H LYS A 38 0.825 5.102 2.169 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.182 4.541 4.029 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.676 5.192 3.981 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.890 5.870 5.393 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.144 3.281 5.283 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.514 3.069 4.754 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.913 4.738 7.204 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.939 2.989 7.321 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.254 3.066 6.223 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.208 4.805 6.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.357 3.733 8.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.942 4.483 8.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.987 2.798 8.620 1.00 0.00 H new ATOM 617 N LYS A 39 -0.378 7.756 3.935 1.00 0.00 N ATOM 618 CA LYS A 39 -0.864 9.094 4.257 1.00 0.00 C ATOM 619 C LYS A 39 -2.256 9.333 3.679 1.00 0.00 C ATOM 620 O LYS A 39 -3.032 10.123 4.216 1.00 0.00 O ATOM 621 CB LYS A 39 0.109 10.152 3.728 1.00 0.00 C ATOM 622 CG LYS A 39 0.209 10.182 2.213 1.00 0.00 C ATOM 623 CD LYS A 39 1.314 11.116 1.745 1.00 0.00 C ATOM 624 CE LYS A 39 0.803 12.535 1.560 1.00 0.00 C ATOM 625 NZ LYS A 39 1.870 13.449 1.068 1.00 0.00 N ATOM 0 H LYS A 39 0.544 7.739 3.499 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.928 9.174 5.342 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.206 11.133 4.083 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.098 9.965 4.146 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.400 9.176 1.840 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.743 10.503 1.791 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.127 11.113 2.472 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.726 10.751 0.804 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.027 12.533 0.854 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.414 12.907 2.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.481 14.407 0.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.652 13.471 1.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.224 13.108 0.151 1.00 0.00 H new ATOM 639 N LYS A 40 -2.564 8.650 2.582 1.00 0.00 N ATOM 640 CA LYS A 40 -3.863 8.791 1.932 1.00 0.00 C ATOM 641 C LYS A 40 -4.972 8.158 2.770 1.00 0.00 C ATOM 642 O LYS A 40 -6.133 8.546 2.667 1.00 0.00 O ATOM 643 CB LYS A 40 -3.833 8.156 0.541 1.00 0.00 C ATOM 644 CG LYS A 40 -4.983 8.597 -0.353 1.00 0.00 C ATOM 645 CD LYS A 40 -4.519 9.569 -1.428 1.00 0.00 C ATOM 646 CE LYS A 40 -4.546 8.932 -2.809 1.00 0.00 C ATOM 647 NZ LYS A 40 -5.713 9.392 -3.610 1.00 0.00 N ATOM 0 H LYS A 40 -1.932 7.993 2.124 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.074 9.856 1.835 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.890 8.407 0.056 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.859 7.071 0.645 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.435 7.723 -0.823 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.756 9.068 0.254 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.158 10.452 -1.421 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.507 9.906 -1.202 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.624 9.174 -3.338 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.580 7.847 -2.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.695 8.935 -4.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.593 9.139 -3.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.667 10.424 -3.729 1.00 0.00 H new ATOM 661 N ILE A 41 -4.609 7.178 3.592 1.00 0.00 N ATOM 662 CA ILE A 41 -5.584 6.498 4.439 1.00 0.00 C ATOM 663 C ILE A 41 -5.912 7.331 5.674 1.00 0.00 C ATOM 664 O ILE A 41 -7.037 7.303 6.172 1.00 0.00 O ATOM 665 CB ILE A 41 -5.079 5.112 4.889 1.00 0.00 C ATOM 666 CG1 ILE A 41 -4.393 4.389 3.726 1.00 0.00 C ATOM 667 CG2 ILE A 41 -6.233 4.282 5.434 1.00 0.00 C ATOM 668 CD1 ILE A 41 -3.973 2.971 4.052 1.00 0.00 C ATOM 0 H ILE A 41 -3.652 6.838 3.690 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.484 6.367 3.838 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.347 5.248 5.685 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.070 4.371 2.872 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.514 4.958 3.424 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.863 3.306 5.748 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.678 4.793 6.288 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.986 4.151 4.657 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.495 2.524 3.181 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.271 2.982 4.886 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.851 2.385 4.325 1.00 0.00 H new ATOM 680 N GLU A 42 -4.924 8.074 6.160 1.00 0.00 N ATOM 681 CA GLU A 42 -5.107 8.919 7.335 1.00 0.00 C ATOM 682 C GLU A 42 -6.080 10.055 7.037 1.00 0.00 C ATOM 683 O GLU A 42 -6.900 10.422 7.879 1.00 0.00 O ATOM 684 CB GLU A 42 -3.765 9.491 7.794 1.00 0.00 C ATOM 685 CG GLU A 42 -2.933 8.514 8.609 1.00 0.00 C ATOM 686 CD GLU A 42 -1.458 8.864 8.609 1.00 0.00 C ATOM 687 OE1 GLU A 42 -0.830 8.790 7.532 1.00 0.00 O ATOM 688 OE2 GLU A 42 -0.931 9.213 9.685 1.00 0.00 O ATOM 0 H GLU A 42 -3.987 8.109 5.758 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.523 8.304 8.133 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.193 9.800 6.919 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.946 10.386 8.389 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.299 8.499 9.636 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.064 7.509 8.209 1.00 0.00 H new ATOM 695 N GLU A 43 -5.982 10.605 5.831 1.00 0.00 N ATOM 696 CA GLU A 43 -6.852 11.699 5.414 1.00 0.00 C ATOM 697 C GLU A 43 -8.280 11.200 5.211 1.00 0.00 C ATOM 698 O GLU A 43 -9.246 11.894 5.527 1.00 0.00 O ATOM 699 CB GLU A 43 -6.315 12.335 4.124 1.00 0.00 C ATOM 700 CG GLU A 43 -6.838 11.698 2.845 1.00 0.00 C ATOM 701 CD GLU A 43 -6.083 12.160 1.614 1.00 0.00 C ATOM 702 OE1 GLU A 43 -4.956 12.674 1.767 1.00 0.00 O ATOM 703 OE2 GLU A 43 -6.621 12.007 0.497 1.00 0.00 O ATOM 0 H GLU A 43 -5.308 10.311 5.124 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.864 12.455 6.199 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.574 13.394 4.120 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.227 12.273 4.128 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.764 10.614 2.927 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.895 11.938 2.730 1.00 0.00 H new ATOM 710 N LEU A 44 -8.394 9.990 4.679 1.00 0.00 N ATOM 711 CA LEU A 44 -9.693 9.376 4.423 1.00 0.00 C ATOM 712 C LEU A 44 -10.555 9.371 5.683 1.00 0.00 C ATOM 713 O LEU A 44 -10.064 9.619 6.783 1.00 0.00 O ATOM 714 CB LEU A 44 -9.504 7.945 3.916 1.00 0.00 C ATOM 715 CG LEU A 44 -9.348 7.809 2.400 1.00 0.00 C ATOM 716 CD1 LEU A 44 -8.894 6.404 2.036 1.00 0.00 C ATOM 717 CD2 LEU A 44 -10.653 8.148 1.697 1.00 0.00 C ATOM 0 H LEU A 44 -7.598 9.410 4.414 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.204 9.965 3.661 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.623 7.519 4.396 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.359 7.348 4.233 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.586 8.514 2.067 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.788 6.325 0.954 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.935 6.197 2.511 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.633 5.682 2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.523 8.046 0.620 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.435 7.468 2.034 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.937 9.174 1.932 1.00 0.00 H new ATOM 729 N GLY A 45 -11.843 9.088 5.512 1.00 0.00 N ATOM 730 CA GLY A 45 -12.752 9.057 6.642 1.00 0.00 C ATOM 731 C GLY A 45 -13.552 7.771 6.708 1.00 0.00 C ATOM 732 O GLY A 45 -13.180 6.836 7.419 1.00 0.00 O ATOM 0 H GLY A 45 -12.273 8.880 4.611 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.184 9.175 7.565 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -13.436 9.904 6.578 1.00 0.00 H new ATOM 736 N GLY A 46 -14.654 7.723 5.967 1.00 0.00 N ATOM 737 CA GLY A 46 -15.492 6.538 5.958 1.00 0.00 C ATOM 738 C GLY A 46 -16.529 6.568 4.853 1.00 0.00 C ATOM 739 O GLY A 46 -17.514 7.302 4.936 1.00 0.00 O ATOM 0 H GLY A 46 -14.982 8.484 5.372 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -14.865 5.654 5.839 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -15.994 6.445 6.921 1.00 0.00 H new ATOM 743 N GLY A 47 -16.309 5.768 3.815 1.00 0.00 N ATOM 744 CA GLY A 47 -17.240 5.719 2.703 1.00 0.00 C ATOM 745 C GLY A 47 -17.010 6.836 1.703 1.00 0.00 C ATOM 746 O GLY A 47 -16.606 7.938 2.075 1.00 0.00 O ATOM 0 H GLY A 47 -15.501 5.152 3.724 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -17.146 4.758 2.197 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -18.259 5.781 3.084 1.00 0.00 H new ATOM 750 N GLY A 48 -17.267 6.551 0.431 1.00 0.00 N ATOM 751 CA GLY A 48 -17.082 7.549 -0.606 1.00 0.00 C ATOM 752 C GLY A 48 -15.803 7.339 -1.394 1.00 0.00 C ATOM 753 O GLY A 48 -15.808 6.678 -2.433 1.00 0.00 O ATOM 0 H GLY A 48 -17.600 5.646 0.099 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -17.933 7.523 -1.287 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -17.067 8.540 -0.153 1.00 0.00 H new ATOM 757 N GLU A 49 -14.706 7.901 -0.900 1.00 0.00 N ATOM 758 CA GLU A 49 -13.414 7.771 -1.565 1.00 0.00 C ATOM 759 C GLU A 49 -12.609 6.615 -0.978 1.00 0.00 C ATOM 760 O GLU A 49 -11.681 6.111 -1.609 1.00 0.00 O ATOM 761 CB GLU A 49 -12.619 9.074 -1.444 1.00 0.00 C ATOM 762 CG GLU A 49 -11.881 9.456 -2.717 1.00 0.00 C ATOM 763 CD GLU A 49 -10.957 10.643 -2.520 1.00 0.00 C ATOM 764 OE1 GLU A 49 -11.466 11.757 -2.279 1.00 0.00 O ATOM 765 OE2 GLU A 49 -9.725 10.457 -2.608 1.00 0.00 O ATOM 0 H GLU A 49 -14.685 8.451 -0.041 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.599 7.562 -2.619 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.299 9.881 -1.172 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.899 8.977 -0.632 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.301 8.602 -3.067 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.606 9.690 -3.497 1.00 0.00 H new ATOM 772 N VAL A 50 -12.970 6.199 0.234 1.00 0.00 N ATOM 773 CA VAL A 50 -12.280 5.103 0.907 1.00 0.00 C ATOM 774 C VAL A 50 -12.127 3.891 -0.009 1.00 0.00 C ATOM 775 O VAL A 50 -11.180 3.116 0.124 1.00 0.00 O ATOM 776 CB VAL A 50 -13.026 4.678 2.186 1.00 0.00 C ATOM 777 CG1 VAL A 50 -14.402 4.120 1.850 1.00 0.00 C ATOM 778 CG2 VAL A 50 -12.208 3.665 2.969 1.00 0.00 C ATOM 0 H VAL A 50 -13.737 6.605 0.770 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.289 5.471 1.174 1.00 0.00 H new ATOM 0 HB VAL A 50 -13.164 5.561 2.810 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -14.910 3.827 2.769 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -14.989 4.883 1.339 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -14.294 3.250 1.202 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -12.751 3.377 3.869 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.034 2.783 2.352 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.252 4.107 3.248 1.00 0.00 H new ATOM 788 N LYS A 51 -13.069 3.732 -0.931 1.00 0.00 N ATOM 789 CA LYS A 51 -13.043 2.612 -1.867 1.00 0.00 C ATOM 790 C LYS A 51 -11.937 2.785 -2.904 1.00 0.00 C ATOM 791 O LYS A 51 -11.395 1.805 -3.415 1.00 0.00 O ATOM 792 CB LYS A 51 -14.395 2.475 -2.568 1.00 0.00 C ATOM 793 CG LYS A 51 -14.753 3.668 -3.439 1.00 0.00 C ATOM 794 CD LYS A 51 -16.207 3.619 -3.878 1.00 0.00 C ATOM 795 CE LYS A 51 -16.414 2.634 -5.018 1.00 0.00 C ATOM 796 NZ LYS A 51 -16.508 3.321 -6.336 1.00 0.00 N ATOM 0 H LYS A 51 -13.861 4.364 -1.051 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.840 1.705 -1.297 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -14.386 1.576 -3.184 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -15.172 2.338 -1.816 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -14.569 4.590 -2.888 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -14.107 3.686 -4.317 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -16.834 3.335 -3.033 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -16.527 4.613 -4.192 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -15.588 1.923 -5.038 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -17.324 2.061 -4.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -16.649 2.615 -7.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -17.311 3.981 -6.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -15.629 3.847 -6.517 1.00 0.00 H new ATOM 810 N LYS A 52 -11.610 4.035 -3.216 1.00 0.00 N ATOM 811 CA LYS A 52 -10.571 4.331 -4.197 1.00 0.00 C ATOM 812 C LYS A 52 -9.192 3.948 -3.668 1.00 0.00 C ATOM 813 O LYS A 52 -8.481 3.155 -4.283 1.00 0.00 O ATOM 814 CB LYS A 52 -10.602 5.817 -4.564 1.00 0.00 C ATOM 815 CG LYS A 52 -9.431 6.263 -5.423 1.00 0.00 C ATOM 816 CD LYS A 52 -9.706 7.600 -6.091 1.00 0.00 C ATOM 817 CE LYS A 52 -9.190 7.624 -7.521 1.00 0.00 C ATOM 818 NZ LYS A 52 -8.613 8.949 -7.881 1.00 0.00 N ATOM 0 H LYS A 52 -12.049 4.859 -2.804 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.768 3.738 -5.090 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.531 6.031 -5.093 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.614 6.407 -3.648 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.535 6.341 -4.807 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.230 5.510 -6.184 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.778 7.797 -6.086 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.233 8.398 -5.519 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.431 6.852 -7.646 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.004 7.385 -8.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.273 8.924 -8.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.344 9.683 -7.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.819 9.166 -7.245 1.00 0.00 H new ATOM 832 N VAL A 53 -8.820 4.516 -2.526 1.00 0.00 N ATOM 833 CA VAL A 53 -7.525 4.233 -1.915 1.00 0.00 C ATOM 834 C VAL A 53 -7.352 2.738 -1.663 1.00 0.00 C ATOM 835 O VAL A 53 -6.236 2.222 -1.682 1.00 0.00 O ATOM 836 CB VAL A 53 -7.352 4.990 -0.585 1.00 0.00 C ATOM 837 CG1 VAL A 53 -5.932 4.840 -0.064 1.00 0.00 C ATOM 838 CG2 VAL A 53 -7.711 6.459 -0.757 1.00 0.00 C ATOM 0 H VAL A 53 -9.397 5.176 -2.004 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.763 4.572 -2.617 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.031 4.556 0.149 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.830 5.382 0.876 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.714 3.785 0.100 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.232 5.246 -0.794 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.583 6.978 0.193 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.059 6.907 -1.507 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.748 6.545 -1.080 1.00 0.00 H new ATOM 848 N GLU A 54 -8.465 2.047 -1.431 1.00 0.00 N ATOM 849 CA GLU A 54 -8.434 0.610 -1.181 1.00 0.00 C ATOM 850 C GLU A 54 -7.864 -0.129 -2.386 1.00 0.00 C ATOM 851 O GLU A 54 -7.086 -1.072 -2.240 1.00 0.00 O ATOM 852 CB GLU A 54 -9.839 0.095 -0.867 1.00 0.00 C ATOM 853 CG GLU A 54 -9.851 -1.244 -0.146 1.00 0.00 C ATOM 854 CD GLU A 54 -11.115 -2.037 -0.412 1.00 0.00 C ATOM 855 OE1 GLU A 54 -12.165 -1.411 -0.672 1.00 0.00 O ATOM 856 OE2 GLU A 54 -11.057 -3.283 -0.360 1.00 0.00 O ATOM 0 H GLU A 54 -9.398 2.459 -1.411 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.790 0.424 -0.321 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.358 0.832 -0.255 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.399 0.002 -1.798 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.986 -1.829 -0.459 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.750 -1.076 0.926 1.00 0.00 H new ATOM 863 N GLU A 55 -8.252 0.313 -3.578 1.00 0.00 N ATOM 864 CA GLU A 55 -7.778 -0.296 -4.816 1.00 0.00 C ATOM 865 C GLU A 55 -6.300 0.011 -5.036 1.00 0.00 C ATOM 866 O GLU A 55 -5.583 -0.758 -5.676 1.00 0.00 O ATOM 867 CB GLU A 55 -8.601 0.208 -6.004 1.00 0.00 C ATOM 868 CG GLU A 55 -8.195 -0.408 -7.331 1.00 0.00 C ATOM 869 CD GLU A 55 -9.151 -1.492 -7.789 1.00 0.00 C ATOM 870 OE1 GLU A 55 -9.102 -2.604 -7.223 1.00 0.00 O ATOM 871 OE2 GLU A 55 -9.948 -1.229 -8.714 1.00 0.00 O ATOM 0 H GLU A 55 -8.895 1.093 -3.713 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.899 -1.376 -4.734 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.654 -0.005 -5.822 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.501 1.291 -6.070 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.147 0.373 -8.090 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.193 -0.827 -7.241 1.00 0.00 H new ATOM 878 N GLU A 56 -5.854 1.142 -4.499 1.00 0.00 N ATOM 879 CA GLU A 56 -4.463 1.563 -4.629 1.00 0.00 C ATOM 880 C GLU A 56 -3.537 0.643 -3.839 1.00 0.00 C ATOM 881 O GLU A 56 -2.371 0.468 -4.192 1.00 0.00 O ATOM 882 CB GLU A 56 -4.305 3.006 -4.145 1.00 0.00 C ATOM 883 CG GLU A 56 -4.923 4.032 -5.081 1.00 0.00 C ATOM 884 CD GLU A 56 -4.758 5.453 -4.580 1.00 0.00 C ATOM 885 OE1 GLU A 56 -4.489 5.631 -3.374 1.00 0.00 O ATOM 886 OE2 GLU A 56 -4.898 6.390 -5.396 1.00 0.00 O ATOM 0 H GLU A 56 -6.439 1.786 -3.967 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.186 1.504 -5.682 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.763 3.102 -3.160 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.244 3.227 -4.027 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.464 3.942 -6.066 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.984 3.815 -5.203 1.00 0.00 H new ATOM 893 N VAL A 57 -4.064 0.059 -2.768 1.00 0.00 N ATOM 894 CA VAL A 57 -3.289 -0.841 -1.921 1.00 0.00 C ATOM 895 C VAL A 57 -3.257 -2.250 -2.503 1.00 0.00 C ATOM 896 O VAL A 57 -2.336 -3.021 -2.239 1.00 0.00 O ATOM 897 CB VAL A 57 -3.865 -0.906 -0.494 1.00 0.00 C ATOM 898 CG1 VAL A 57 -2.921 -1.662 0.428 1.00 0.00 C ATOM 899 CG2 VAL A 57 -4.141 0.495 0.038 1.00 0.00 C ATOM 0 H VAL A 57 -5.029 0.194 -2.465 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.276 -0.441 -1.880 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.811 -1.446 -0.528 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.344 -1.698 1.432 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.784 -2.677 0.055 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.957 -1.153 0.458 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.547 0.427 1.047 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.213 1.066 0.058 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.861 0.995 -0.610 1.00 0.00 H new ATOM 909 N LYS A 58 -4.278 -2.579 -3.284 1.00 0.00 N ATOM 910 CA LYS A 58 -4.386 -3.895 -3.900 1.00 0.00 C ATOM 911 C LYS A 58 -3.422 -4.044 -5.076 1.00 0.00 C ATOM 912 O LYS A 58 -2.999 -5.150 -5.402 1.00 0.00 O ATOM 913 CB LYS A 58 -5.823 -4.135 -4.366 1.00 0.00 C ATOM 914 CG LYS A 58 -6.603 -5.079 -3.465 1.00 0.00 C ATOM 915 CD LYS A 58 -8.100 -4.833 -3.562 1.00 0.00 C ATOM 916 CE LYS A 58 -8.774 -5.848 -4.470 1.00 0.00 C ATOM 917 NZ LYS A 58 -10.259 -5.730 -4.431 1.00 0.00 N ATOM 0 H LYS A 58 -5.048 -1.948 -3.507 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.117 -4.640 -3.152 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.345 -3.179 -4.416 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.806 -4.542 -5.377 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.384 -6.111 -3.741 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.278 -4.949 -2.433 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.543 -4.883 -2.567 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.281 -3.827 -3.942 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.426 -5.707 -5.493 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.482 -6.854 -4.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.680 -6.440 -5.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.595 -5.889 -3.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.540 -4.778 -4.742 1.00 0.00 H new ATOM 931 N LYS A 59 -3.098 -2.928 -5.723 1.00 0.00 N ATOM 932 CA LYS A 59 -2.200 -2.947 -6.876 1.00 0.00 C ATOM 933 C LYS A 59 -0.742 -3.131 -6.459 1.00 0.00 C ATOM 934 O LYS A 59 0.018 -3.820 -7.139 1.00 0.00 O ATOM 935 CB LYS A 59 -2.350 -1.651 -7.681 1.00 0.00 C ATOM 936 CG LYS A 59 -1.384 -1.542 -8.853 1.00 0.00 C ATOM 937 CD LYS A 59 -0.457 -0.344 -8.706 1.00 0.00 C ATOM 938 CE LYS A 59 -1.103 0.929 -9.229 1.00 0.00 C ATOM 939 NZ LYS A 59 -0.214 2.112 -9.065 1.00 0.00 N ATOM 0 H LYS A 59 -3.442 -2.002 -5.470 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.480 -3.799 -7.496 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.371 -1.583 -8.056 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.197 -0.801 -7.016 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.792 -2.454 -8.923 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.947 -1.455 -9.782 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.192 -0.214 -7.657 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.470 -0.532 -9.248 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.350 0.804 -10.283 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.040 1.104 -8.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.783 2.982 -9.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.270 2.058 -8.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.493 2.124 -9.828 1.00 0.00 H new ATOM 953 N LEU A 60 -0.348 -2.505 -5.354 1.00 0.00 N ATOM 954 CA LEU A 60 1.029 -2.604 -4.881 1.00 0.00 C ATOM 955 C LEU A 60 1.294 -3.926 -4.169 1.00 0.00 C ATOM 956 O LEU A 60 2.430 -4.390 -4.119 1.00 0.00 O ATOM 957 CB LEU A 60 1.367 -1.443 -3.950 1.00 0.00 C ATOM 958 CG LEU A 60 2.848 -1.062 -3.933 1.00 0.00 C ATOM 959 CD1 LEU A 60 3.023 0.415 -4.233 1.00 0.00 C ATOM 960 CD2 LEU A 60 3.483 -1.420 -2.598 1.00 0.00 C ATOM 0 H LEU A 60 -0.957 -1.928 -4.773 1.00 0.00 H new ATOM 0 HA LEU A 60 1.670 -2.559 -5.761 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.783 -0.572 -4.247 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.059 -1.703 -2.937 1.00 0.00 H new ATOM 0 HG LEU A 60 3.355 -1.631 -4.712 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.083 0.667 -4.216 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.613 0.637 -5.218 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.499 1.004 -3.480 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.536 -1.140 -2.609 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.974 -0.884 -1.797 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.395 -2.493 -2.429 1.00 0.00 H new ATOM 972 N GLU A 61 0.251 -4.525 -3.615 1.00 0.00 N ATOM 973 CA GLU A 61 0.389 -5.789 -2.907 1.00 0.00 C ATOM 974 C GLU A 61 0.670 -6.928 -3.884 1.00 0.00 C ATOM 975 O GLU A 61 1.619 -7.694 -3.710 1.00 0.00 O ATOM 976 CB GLU A 61 -0.882 -6.079 -2.111 1.00 0.00 C ATOM 977 CG GLU A 61 -0.619 -6.579 -0.703 1.00 0.00 C ATOM 978 CD GLU A 61 -1.555 -7.702 -0.297 1.00 0.00 C ATOM 979 OE1 GLU A 61 -2.645 -7.402 0.233 1.00 0.00 O ATOM 980 OE2 GLU A 61 -1.196 -8.879 -0.508 1.00 0.00 O ATOM 0 H GLU A 61 -0.700 -4.157 -3.642 1.00 0.00 H new ATOM 0 HA GLU A 61 1.232 -5.713 -2.220 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.482 -5.171 -2.058 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.474 -6.822 -2.646 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.412 -6.927 -0.632 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.725 -5.751 -0.002 1.00 0.00 H new ATOM 987 N GLU A 62 -0.163 -7.028 -4.912 1.00 0.00 N ATOM 988 CA GLU A 62 -0.022 -8.062 -5.930 1.00 0.00 C ATOM 989 C GLU A 62 1.240 -7.849 -6.763 1.00 0.00 C ATOM 990 O GLU A 62 1.796 -8.794 -7.321 1.00 0.00 O ATOM 991 CB GLU A 62 -1.252 -8.069 -6.838 1.00 0.00 C ATOM 992 CG GLU A 62 -1.706 -9.462 -7.235 1.00 0.00 C ATOM 993 CD GLU A 62 -3.010 -9.453 -8.010 1.00 0.00 C ATOM 994 OE1 GLU A 62 -3.977 -8.820 -7.537 1.00 0.00 O ATOM 995 OE2 GLU A 62 -3.064 -10.079 -9.089 1.00 0.00 O ATOM 0 H GLU A 62 -0.951 -6.399 -5.064 1.00 0.00 H new ATOM 0 HA GLU A 62 0.063 -9.025 -5.427 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.071 -7.560 -6.330 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.031 -7.497 -7.739 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.932 -9.934 -7.840 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.825 -10.070 -6.338 1.00 0.00 H new ATOM 1002 N GLU A 63 1.676 -6.599 -6.853 1.00 0.00 N ATOM 1003 CA GLU A 63 2.863 -6.251 -7.627 1.00 0.00 C ATOM 1004 C GLU A 63 4.114 -6.921 -7.062 1.00 0.00 C ATOM 1005 O GLU A 63 4.794 -7.677 -7.758 1.00 0.00 O ATOM 1006 CB GLU A 63 3.042 -4.731 -7.646 1.00 0.00 C ATOM 1007 CG GLU A 63 2.939 -4.124 -9.036 1.00 0.00 C ATOM 1008 CD GLU A 63 4.036 -4.603 -9.967 1.00 0.00 C ATOM 1009 OE1 GLU A 63 4.810 -5.498 -9.565 1.00 0.00 O ATOM 1010 OE2 GLU A 63 4.122 -4.083 -11.099 1.00 0.00 O ATOM 0 H GLU A 63 1.224 -5.806 -6.398 1.00 0.00 H new ATOM 0 HA GLU A 63 2.723 -6.613 -8.645 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.288 -4.277 -7.003 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.015 -4.483 -7.221 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.969 -4.373 -9.466 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.983 -3.038 -8.958 1.00 0.00 H new ATOM 1017 N ILE A 64 4.416 -6.634 -5.800 1.00 0.00 N ATOM 1018 CA ILE A 64 5.588 -7.197 -5.137 1.00 0.00 C ATOM 1019 C ILE A 64 5.652 -8.714 -5.304 1.00 0.00 C ATOM 1020 O ILE A 64 6.734 -9.302 -5.297 1.00 0.00 O ATOM 1021 CB ILE A 64 5.595 -6.858 -3.631 1.00 0.00 C ATOM 1022 CG1 ILE A 64 5.471 -5.344 -3.426 1.00 0.00 C ATOM 1023 CG2 ILE A 64 6.862 -7.390 -2.970 1.00 0.00 C ATOM 1024 CD1 ILE A 64 5.548 -4.919 -1.975 1.00 0.00 C ATOM 0 H ILE A 64 3.862 -6.011 -5.212 1.00 0.00 H new ATOM 0 HA ILE A 64 6.461 -6.750 -5.612 1.00 0.00 H new ATOM 0 HB ILE A 64 4.738 -7.340 -3.161 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.263 -4.844 -3.984 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.523 -5.006 -3.845 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.850 -7.142 -1.909 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.908 -8.472 -3.089 1.00 0.00 H new ATOM 0 HG23 ILE A 64 7.735 -6.936 -3.439 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.453 -3.835 -1.908 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.740 -5.390 -1.415 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.507 -5.226 -1.556 1.00 0.00 H new ATOM 1036 N LYS A 65 4.491 -9.345 -5.450 1.00 0.00 N ATOM 1037 CA LYS A 65 4.426 -10.793 -5.614 1.00 0.00 C ATOM 1038 C LYS A 65 5.216 -11.238 -6.843 1.00 0.00 C ATOM 1039 O LYS A 65 5.715 -12.362 -6.897 1.00 0.00 O ATOM 1040 CB LYS A 65 2.971 -11.255 -5.726 1.00 0.00 C ATOM 1041 CG LYS A 65 2.443 -11.908 -4.458 1.00 0.00 C ATOM 1042 CD LYS A 65 1.945 -10.871 -3.461 1.00 0.00 C ATOM 1043 CE LYS A 65 2.622 -11.026 -2.108 1.00 0.00 C ATOM 1044 NZ LYS A 65 2.752 -9.723 -1.400 1.00 0.00 N ATOM 0 H LYS A 65 3.584 -8.878 -5.458 1.00 0.00 H new ATOM 0 HA LYS A 65 4.873 -11.253 -4.733 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.344 -10.398 -5.972 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.885 -11.961 -6.552 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.632 -12.591 -4.710 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.231 -12.505 -4.000 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.134 -9.871 -3.851 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.866 -10.968 -3.342 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.048 -11.718 -1.492 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.610 -11.465 -2.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.748 -9.563 -1.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.424 -8.956 -2.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.175 -9.739 -0.535 1.00 0.00 H new ATOM 1058 N LYS A 66 5.329 -10.349 -7.824 1.00 0.00 N ATOM 1059 CA LYS A 66 6.062 -10.652 -9.047 1.00 0.00 C ATOM 1060 C LYS A 66 7.567 -10.608 -8.798 1.00 0.00 C ATOM 1061 O LYS A 66 8.280 -11.574 -9.067 1.00 0.00 O ATOM 1062 CB LYS A 66 5.683 -9.662 -10.153 1.00 0.00 C ATOM 1063 CG LYS A 66 4.831 -10.276 -11.253 1.00 0.00 C ATOM 1064 CD LYS A 66 5.524 -10.202 -12.604 1.00 0.00 C ATOM 1065 CE LYS A 66 4.626 -10.714 -13.719 1.00 0.00 C ATOM 1066 NZ LYS A 66 4.782 -9.918 -14.968 1.00 0.00 N ATOM 0 H LYS A 66 4.923 -9.414 -7.796 1.00 0.00 H new ATOM 0 HA LYS A 66 5.793 -11.659 -9.367 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.143 -8.825 -9.711 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.594 -9.256 -10.594 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.616 -11.317 -11.010 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.874 -9.757 -11.305 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.811 -9.171 -12.811 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.442 -10.789 -12.576 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.860 -11.759 -13.923 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.586 -10.678 -13.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.153 -10.299 -15.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.534 -8.926 -14.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.768 -9.973 -15.294 1.00 0.00 H new ATOM 1080 N LEU A 67 8.040 -9.479 -8.281 1.00 0.00 N ATOM 1081 CA LEU A 67 9.457 -9.304 -7.992 1.00 0.00 C ATOM 1082 C LEU A 67 9.886 -10.184 -6.822 1.00 0.00 C ATOM 1083 O LEU A 67 9.510 -9.867 -5.675 1.00 0.00 O ATOM 1084 CB LEU A 67 9.756 -7.836 -7.677 1.00 0.00 C ATOM 1085 CG LEU A 67 8.693 -7.115 -6.842 1.00 0.00 C ATOM 1086 CD1 LEU A 67 9.338 -6.348 -5.697 1.00 0.00 C ATOM 1087 CD2 LEU A 67 7.874 -6.178 -7.718 1.00 0.00 C ATOM 1088 OXT LEU A 67 10.595 -11.183 -7.064 1.00 0.00 O ATOM 0 H LEU A 67 7.461 -8.671 -8.054 1.00 0.00 H new ATOM 0 HA LEU A 67 10.023 -9.603 -8.875 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.708 -7.782 -7.148 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.882 -7.298 -8.617 1.00 0.00 H new ATOM 0 HG LEU A 67 8.024 -7.864 -6.417 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.566 -5.843 -5.117 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.880 -7.042 -5.054 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.031 -5.609 -6.099 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.123 -5.674 -7.109 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.532 -5.436 -8.171 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.380 -6.752 -8.502 1.00 0.00 H new TER 1100 LEU A 67 HETATM 1101 C6 HTS A 101 7.844 2.520 3.154 1.00 0.00 C HETATM 1102 C1 HTS A 101 6.661 1.862 2.885 1.00 0.00 C HETATM 1103 C2 HTS A 101 6.658 0.692 2.137 1.00 0.00 C HETATM 1104 C3 HTS A 101 7.858 0.187 1.658 1.00 0.00 C HETATM 1105 C4 HTS A 101 9.045 0.843 1.926 1.00 0.00 C HETATM 1106 C5 HTS A 101 9.039 2.008 2.673 1.00 0.00 C HETATM 1107 O1 HTS A 101 5.464 2.356 3.354 1.00 0.00 O HETATM 1108 S1 HTS A 101 5.090 -0.022 1.880 1.00 0.00 S HETATM 0 HO1 HTS A 101 4.724 1.854 2.953 1.00 0.00 H new HETATM 0 H6 HTS A 101 7.839 3.438 3.742 1.00 0.00 H new HETATM 0 H5 HTS A 101 9.976 2.524 2.884 1.00 0.00 H new HETATM 0 H4 HTS A 101 9.986 0.443 1.549 1.00 0.00 H new HETATM 0 H3 HTS A 101 7.865 -0.730 1.069 1.00 0.00 H new