USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=11 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 Set 1.1: A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -100:sc= 0.0275 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0552 USER MOD Single : A 5 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0207) USER MOD Single : A 10 LYS NZ :NH3+ -141:sc= -1.18 (180deg=-3.8!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 154:sc= -0.0615 (180deg=-0.726) USER MOD Single : A 31 LYS NZ :NH3+ 157:sc= -0.794 (180deg=-1.63!) 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 148:sc= -9.36! USER MOD Single : A 38 LYS NZ :NH3+ -141:sc= -0.902 (180deg=-2.44!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -167:sc= 0.456 (180deg=0.38) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 144:sc= 0.982 (180deg=0.265) USER MOD Single : A 58 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0307) USER MOD Single : A 59 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 -16.928 -7.439 9.219 1.00 0.00 N ATOM 2 CA GLY A 1 -16.022 -6.574 8.416 1.00 0.00 C ATOM 3 C GLY A 1 -16.709 -5.986 7.199 1.00 0.00 C ATOM 4 O GLY A 1 -17.648 -6.574 6.664 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.282 -6.905 10.038 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.730 -7.742 8.631 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.406 -8.275 9.550 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.646 -5.766 9.043 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.158 -7.157 8.096 1.00 0.00 H new ATOM 10 N SER A 2 -16.237 -4.823 6.760 1.00 0.00 N ATOM 11 CA SER A 2 -16.813 -4.156 5.598 1.00 0.00 C ATOM 12 C SER A 2 -16.031 -2.892 5.252 1.00 0.00 C ATOM 13 O SER A 2 -15.634 -2.692 4.105 1.00 0.00 O ATOM 14 CB SER A 2 -18.279 -3.809 5.857 1.00 0.00 C ATOM 15 OG SER A 2 -18.416 -3.003 7.014 1.00 0.00 O ATOM 0 H SER A 2 -15.459 -4.324 7.191 1.00 0.00 H new ATOM 0 HA SER A 2 -16.754 -4.840 4.752 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.690 -3.285 4.994 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.857 -4.725 5.978 1.00 0.00 H new ATOM 0 HG SER A 2 -19.363 -2.794 7.157 1.00 0.00 H new ATOM 21 N ARG A 3 -15.815 -2.042 6.251 1.00 0.00 N ATOM 22 CA ARG A 3 -15.081 -0.797 6.050 1.00 0.00 C ATOM 23 C ARG A 3 -13.580 -1.059 5.968 1.00 0.00 C ATOM 24 O ARG A 3 -12.874 -0.440 5.172 1.00 0.00 O ATOM 25 CB ARG A 3 -15.383 0.190 7.178 1.00 0.00 C ATOM 26 CG ARG A 3 -15.065 -0.349 8.565 1.00 0.00 C ATOM 27 CD ARG A 3 -13.763 0.225 9.104 1.00 0.00 C ATOM 28 NE ARG A 3 -13.963 1.515 9.761 1.00 0.00 N ATOM 29 CZ ARG A 3 -13.701 2.694 9.194 1.00 0.00 C ATOM 30 NH1 ARG A 3 -13.228 2.759 7.955 1.00 0.00 N1+ ATOM 31 NH2 ARG A 3 -13.914 3.814 9.872 1.00 0.00 N ATOM 0 H ARG A 3 -16.137 -2.192 7.207 1.00 0.00 H new ATOM 0 HA ARG A 3 -15.406 -0.361 5.106 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -14.811 1.103 7.013 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -16.437 0.463 7.137 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -15.880 -0.106 9.246 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.996 -1.436 8.526 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -13.323 -0.478 9.812 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -13.052 0.341 8.286 1.00 0.00 H new ATOM 0 HE ARG A 3 -14.326 1.514 10.714 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -13.062 1.902 7.427 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -13.031 3.666 7.531 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -14.277 3.772 10.824 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -13.715 4.717 9.441 1.00 0.00 H new ATOM 45 N VAL A 4 -13.097 -1.982 6.794 1.00 0.00 N ATOM 46 CA VAL A 4 -11.682 -2.329 6.811 1.00 0.00 C ATOM 47 C VAL A 4 -11.297 -3.117 5.564 1.00 0.00 C ATOM 48 O VAL A 4 -10.266 -2.854 4.944 1.00 0.00 O ATOM 49 CB VAL A 4 -11.319 -3.156 8.058 1.00 0.00 C ATOM 50 CG1 VAL A 4 -9.814 -3.357 8.148 1.00 0.00 C ATOM 51 CG2 VAL A 4 -11.852 -2.488 9.315 1.00 0.00 C ATOM 0 H VAL A 4 -13.666 -2.503 7.461 1.00 0.00 H new ATOM 0 HA VAL A 4 -11.127 -1.391 6.834 1.00 0.00 H new ATOM 0 HB VAL A 4 -11.787 -4.136 7.969 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.578 -3.944 9.036 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.464 -3.884 7.261 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.321 -2.387 8.212 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -11.586 -3.087 10.186 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.416 -1.494 9.411 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -12.937 -2.404 9.250 1.00 0.00 H new ATOM 61 N LYS A 5 -12.134 -4.086 5.199 1.00 0.00 N ATOM 62 CA LYS A 5 -11.878 -4.910 4.023 1.00 0.00 C ATOM 63 C LYS A 5 -11.758 -4.044 2.775 1.00 0.00 C ATOM 64 O LYS A 5 -10.869 -4.249 1.952 1.00 0.00 O ATOM 65 CB LYS A 5 -12.990 -5.947 3.842 1.00 0.00 C ATOM 66 CG LYS A 5 -12.946 -6.668 2.502 1.00 0.00 C ATOM 67 CD LYS A 5 -11.566 -7.240 2.222 1.00 0.00 C ATOM 68 CE LYS A 5 -11.653 -8.607 1.563 1.00 0.00 C ATOM 69 NZ LYS A 5 -12.335 -8.546 0.241 1.00 0.00 N1+ ATOM 0 H LYS A 5 -12.992 -4.318 5.700 1.00 0.00 H new ATOM 0 HA LYS A 5 -10.934 -5.433 4.173 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -12.921 -6.683 4.643 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.956 -5.452 3.946 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.682 -7.472 2.496 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.223 -5.976 1.706 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.013 -6.558 1.576 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.008 -7.319 3.155 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.649 -9.012 1.435 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -12.192 -9.292 2.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.284 -9.477 -0.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -13.332 -8.281 0.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.867 -7.837 -0.359 1.00 0.00 H new ATOM 83 N ALA A 6 -12.650 -3.069 2.646 1.00 0.00 N ATOM 84 CA ALA A 6 -12.630 -2.165 1.503 1.00 0.00 C ATOM 85 C ALA A 6 -11.276 -1.475 1.400 1.00 0.00 C ATOM 86 O ALA A 6 -10.769 -1.225 0.308 1.00 0.00 O ATOM 87 CB ALA A 6 -13.747 -1.140 1.619 1.00 0.00 C ATOM 0 H ALA A 6 -13.395 -2.885 3.318 1.00 0.00 H new ATOM 0 HA ALA A 6 -12.791 -2.746 0.595 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.719 -0.472 0.758 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.709 -1.652 1.650 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.615 -0.560 2.532 1.00 0.00 H new ATOM 93 N LEU A 7 -10.698 -1.180 2.558 1.00 0.00 N ATOM 94 CA LEU A 7 -9.398 -0.528 2.632 1.00 0.00 C ATOM 95 C LEU A 7 -8.335 -1.361 1.923 1.00 0.00 C ATOM 96 O LEU A 7 -7.481 -0.831 1.216 1.00 0.00 O ATOM 97 CB LEU A 7 -9.011 -0.336 4.098 1.00 0.00 C ATOM 98 CG LEU A 7 -8.356 1.000 4.433 1.00 0.00 C ATOM 99 CD1 LEU A 7 -6.981 1.098 3.792 1.00 0.00 C ATOM 100 CD2 LEU A 7 -9.239 2.157 3.990 1.00 0.00 C ATOM 0 H LEU A 7 -11.115 -1.385 3.466 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.462 0.441 2.137 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.906 -0.446 4.710 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.329 -1.137 4.384 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.234 1.059 5.515 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.530 2.058 4.043 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.348 0.292 4.163 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.077 1.014 2.710 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.754 3.101 4.238 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.397 2.102 2.913 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -10.200 2.098 4.501 1.00 0.00 H new ATOM 112 N GLU A 8 -8.400 -2.670 2.126 1.00 0.00 N ATOM 113 CA GLU A 8 -7.450 -3.595 1.517 1.00 0.00 C ATOM 114 C GLU A 8 -7.578 -3.603 -0.007 1.00 0.00 C ATOM 115 O GLU A 8 -6.600 -3.826 -0.719 1.00 0.00 O ATOM 116 CB GLU A 8 -7.654 -5.009 2.083 1.00 0.00 C ATOM 117 CG GLU A 8 -8.602 -5.883 1.270 1.00 0.00 C ATOM 118 CD GLU A 8 -7.887 -6.658 0.180 1.00 0.00 C ATOM 119 OE1 GLU A 8 -7.098 -7.566 0.515 1.00 0.00 O1- ATOM 120 OE2 GLU A 8 -8.114 -6.355 -1.011 1.00 0.00 O ATOM 0 H GLU A 8 -9.105 -3.119 2.711 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.443 -3.257 1.762 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.686 -5.505 2.145 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.037 -4.928 3.100 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.108 -6.582 1.936 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.373 -5.257 0.820 1.00 0.00 H new ATOM 127 N GLU A 9 -8.793 -3.381 -0.497 1.00 0.00 N ATOM 128 CA GLU A 9 -9.056 -3.382 -1.934 1.00 0.00 C ATOM 129 C GLU A 9 -8.350 -2.230 -2.648 1.00 0.00 C ATOM 130 O GLU A 9 -7.873 -2.390 -3.769 1.00 0.00 O ATOM 131 CB GLU A 9 -10.562 -3.305 -2.192 1.00 0.00 C ATOM 132 CG GLU A 9 -11.290 -4.617 -1.948 1.00 0.00 C ATOM 133 CD GLU A 9 -11.401 -5.464 -3.201 1.00 0.00 C ATOM 134 OE1 GLU A 9 -12.220 -5.120 -4.079 1.00 0.00 O1- ATOM 135 OE2 GLU A 9 -10.669 -6.471 -3.304 1.00 0.00 O ATOM 0 H GLU A 9 -9.614 -3.198 0.080 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.660 -4.314 -2.337 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.993 -2.536 -1.551 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.730 -2.992 -3.223 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.765 -5.182 -1.178 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.289 -4.408 -1.565 1.00 0.00 H new ATOM 142 N LYS A 10 -8.298 -1.069 -2.004 1.00 0.00 N ATOM 143 CA LYS A 10 -7.660 0.104 -2.597 1.00 0.00 C ATOM 144 C LYS A 10 -6.139 -0.040 -2.627 1.00 0.00 C ATOM 145 O LYS A 10 -5.480 0.433 -3.552 1.00 0.00 O ATOM 146 CB LYS A 10 -8.054 1.371 -1.831 1.00 0.00 C ATOM 147 CG LYS A 10 -7.631 1.365 -0.371 1.00 0.00 C ATOM 148 CD LYS A 10 -7.332 2.770 0.128 1.00 0.00 C ATOM 149 CE LYS A 10 -5.848 3.088 0.046 1.00 0.00 C ATOM 150 NZ LYS A 10 -5.333 3.669 1.316 1.00 0.00 N1+ ATOM 0 H LYS A 10 -8.688 -0.914 -1.074 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.010 0.185 -3.626 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.609 2.235 -2.324 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.136 1.495 -1.885 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.421 0.923 0.236 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.747 0.739 -0.250 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.893 3.494 -0.463 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.670 2.870 1.159 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.294 2.179 -0.188 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.671 3.788 -0.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.650 4.423 1.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.124 4.064 1.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.864 2.926 1.873 1.00 0.00 H new ATOM 164 N VAL A 11 -5.591 -0.687 -1.606 1.00 0.00 N ATOM 165 CA VAL A 11 -4.148 -0.886 -1.503 1.00 0.00 C ATOM 166 C VAL A 11 -3.606 -1.719 -2.664 1.00 0.00 C ATOM 167 O VAL A 11 -2.541 -1.425 -3.209 1.00 0.00 O ATOM 168 CB VAL A 11 -3.786 -1.583 -0.174 1.00 0.00 C ATOM 169 CG1 VAL A 11 -2.279 -1.709 -0.015 1.00 0.00 C ATOM 170 CG2 VAL A 11 -4.392 -0.831 1.002 1.00 0.00 C ATOM 0 H VAL A 11 -6.125 -1.085 -0.834 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.690 0.102 -1.538 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.204 -2.589 -0.193 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.053 -2.204 0.930 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.874 -2.297 -0.839 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.828 -0.717 -0.022 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.128 -1.335 1.931 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.006 0.188 1.020 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.477 -0.807 0.898 1.00 0.00 H new ATOM 180 N LYS A 12 -4.340 -2.763 -3.027 1.00 0.00 N ATOM 181 CA LYS A 12 -3.937 -3.650 -4.112 1.00 0.00 C ATOM 182 C LYS A 12 -4.026 -2.957 -5.459 1.00 0.00 C ATOM 183 O LYS A 12 -3.181 -3.162 -6.330 1.00 0.00 O ATOM 184 CB LYS A 12 -4.793 -4.914 -4.119 1.00 0.00 C ATOM 185 CG LYS A 12 -4.068 -6.128 -4.675 1.00 0.00 C ATOM 186 CD LYS A 12 -4.639 -7.416 -4.110 1.00 0.00 C ATOM 187 CE LYS A 12 -3.713 -8.595 -4.358 1.00 0.00 C ATOM 188 NZ LYS A 12 -4.072 -9.771 -3.518 1.00 0.00 N1+ ATOM 0 H LYS A 12 -5.222 -3.018 -2.583 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.896 -3.925 -3.940 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.119 -5.129 -3.101 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.691 -4.733 -4.710 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.150 -6.137 -5.762 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.007 -6.062 -4.436 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.805 -7.302 -3.039 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.610 -7.614 -4.564 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.756 -8.875 -5.411 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.685 -8.299 -4.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.416 -10.553 -3.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.007 -9.512 -2.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.044 -10.070 -3.736 1.00 0.00 H new ATOM 202 N ALA A 13 -5.051 -2.134 -5.628 1.00 0.00 N ATOM 203 CA ALA A 13 -5.235 -1.416 -6.878 1.00 0.00 C ATOM 204 C ALA A 13 -3.992 -0.599 -7.184 1.00 0.00 C ATOM 205 O ALA A 13 -3.572 -0.490 -8.336 1.00 0.00 O ATOM 206 CB ALA A 13 -6.461 -0.519 -6.804 1.00 0.00 C ATOM 0 H ALA A 13 -5.762 -1.949 -4.921 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.393 -2.136 -7.681 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.582 0.010 -7.749 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.345 -1.127 -6.612 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.335 0.203 -5.997 1.00 0.00 H new ATOM 212 N LEU A 14 -3.384 -0.055 -6.135 1.00 0.00 N ATOM 213 CA LEU A 14 -2.158 0.718 -6.291 1.00 0.00 C ATOM 214 C LEU A 14 -1.002 -0.203 -6.650 1.00 0.00 C ATOM 215 O LEU A 14 -0.072 0.190 -7.339 1.00 0.00 O ATOM 216 CB LEU A 14 -1.831 1.505 -5.026 1.00 0.00 C ATOM 217 CG LEU A 14 -1.171 2.862 -5.280 1.00 0.00 C ATOM 218 CD1 LEU A 14 -1.469 3.827 -4.146 1.00 0.00 C ATOM 219 CD2 LEU A 14 0.331 2.702 -5.470 1.00 0.00 C ATOM 0 H LEU A 14 -3.717 -0.134 -5.174 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.312 1.433 -7.099 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.750 1.662 -4.462 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.171 0.905 -4.400 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.589 3.277 -6.197 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.990 4.785 -4.348 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.546 3.970 -4.064 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.085 3.419 -3.211 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.781 3.678 -5.649 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.766 2.261 -4.573 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.523 2.052 -6.324 1.00 0.00 H new ATOM 231 N GLU A 15 -1.072 -1.435 -6.163 1.00 0.00 N ATOM 232 CA GLU A 15 -0.036 -2.428 -6.417 1.00 0.00 C ATOM 233 C GLU A 15 0.208 -2.612 -7.915 1.00 0.00 C ATOM 234 O GLU A 15 1.342 -2.785 -8.359 1.00 0.00 O ATOM 235 CB GLU A 15 -0.453 -3.762 -5.798 1.00 0.00 C ATOM 236 CG GLU A 15 0.681 -4.754 -5.681 1.00 0.00 C ATOM 237 CD GLU A 15 0.294 -6.146 -6.144 1.00 0.00 C ATOM 238 OE1 GLU A 15 -0.564 -6.253 -7.045 1.00 0.00 O1- ATOM 239 OE2 GLU A 15 0.848 -7.127 -5.605 1.00 0.00 O ATOM 0 H GLU A 15 -1.842 -1.773 -5.585 1.00 0.00 H new ATOM 0 HA GLU A 15 0.892 -2.077 -5.966 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.869 -3.579 -4.807 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.248 -4.201 -6.401 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.528 -4.402 -6.270 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.012 -4.800 -4.643 1.00 0.00 H new ATOM 246 N GLU A 16 -0.876 -2.582 -8.675 1.00 0.00 N ATOM 247 CA GLU A 16 -0.827 -2.753 -10.126 1.00 0.00 C ATOM 248 C GLU A 16 -0.105 -1.598 -10.804 1.00 0.00 C ATOM 249 O GLU A 16 0.560 -1.786 -11.820 1.00 0.00 O ATOM 250 CB GLU A 16 -2.245 -2.879 -10.688 1.00 0.00 C ATOM 251 CG GLU A 16 -2.990 -4.108 -10.190 1.00 0.00 C ATOM 252 CD GLU A 16 -3.475 -4.995 -11.321 1.00 0.00 C ATOM 253 OE1 GLU A 16 -2.770 -5.088 -12.347 1.00 0.00 O ATOM 254 OE2 GLU A 16 -4.561 -5.597 -11.179 1.00 0.00 O1- ATOM 0 H GLU A 16 -1.816 -2.439 -8.307 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.269 -3.666 -10.333 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.813 -1.987 -10.422 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.194 -2.911 -11.776 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.336 -4.685 -9.536 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.843 -3.792 -9.589 1.00 0.00 H new ATOM 261 N LYS A 17 -0.246 -0.405 -10.244 1.00 0.00 N ATOM 262 CA LYS A 17 0.391 0.780 -10.803 1.00 0.00 C ATOM 263 C LYS A 17 1.907 0.729 -10.614 1.00 0.00 C ATOM 264 O LYS A 17 2.660 1.286 -11.412 1.00 0.00 O ATOM 265 CB LYS A 17 -0.195 2.061 -10.185 1.00 0.00 C ATOM 266 CG LYS A 17 0.268 2.349 -8.766 1.00 0.00 C ATOM 267 CD LYS A 17 0.736 3.786 -8.603 1.00 0.00 C ATOM 268 CE LYS A 17 -0.360 4.779 -8.959 1.00 0.00 C ATOM 269 NZ LYS A 17 0.180 5.970 -9.672 1.00 0.00 N1+ ATOM 0 H LYS A 17 -0.796 -0.231 -9.403 1.00 0.00 H new ATOM 0 HA LYS A 17 0.187 0.796 -11.874 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.069 2.908 -10.818 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.282 1.986 -10.190 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.548 2.152 -8.071 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.080 1.671 -8.504 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.055 3.950 -7.574 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.605 3.960 -9.238 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.105 4.288 -9.585 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.869 5.100 -8.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.598 6.622 -9.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.873 6.453 -9.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.643 5.667 -10.553 1.00 0.00 H new ATOM 283 N VAL A 18 2.347 0.075 -9.540 1.00 0.00 N ATOM 284 CA VAL A 18 3.774 -0.025 -9.239 1.00 0.00 C ATOM 285 C VAL A 18 4.509 -0.927 -10.228 1.00 0.00 C ATOM 286 O VAL A 18 5.573 -0.569 -10.734 1.00 0.00 O ATOM 287 CB VAL A 18 4.003 -0.559 -7.811 1.00 0.00 C ATOM 288 CG1 VAL A 18 5.479 -0.512 -7.447 1.00 0.00 C ATOM 289 CG2 VAL A 18 3.175 0.231 -6.806 1.00 0.00 C ATOM 0 H VAL A 18 1.739 -0.391 -8.867 1.00 0.00 H new ATOM 0 HA VAL A 18 4.176 0.984 -9.323 1.00 0.00 H new ATOM 0 HB VAL A 18 3.680 -1.600 -7.780 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.617 -0.894 -6.435 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.046 -1.126 -8.147 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.834 0.517 -7.498 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.349 -0.160 -5.804 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.465 1.281 -6.841 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.117 0.138 -7.053 1.00 0.00 H new ATOM 299 N LYS A 19 3.941 -2.095 -10.505 1.00 0.00 N ATOM 300 CA LYS A 19 4.551 -3.038 -11.437 1.00 0.00 C ATOM 301 C LYS A 19 4.469 -2.523 -12.872 1.00 0.00 C ATOM 302 O LYS A 19 5.244 -2.933 -13.736 1.00 0.00 O ATOM 303 CB LYS A 19 3.872 -4.407 -11.328 1.00 0.00 C ATOM 304 CG LYS A 19 2.543 -4.496 -12.064 1.00 0.00 C ATOM 305 CD LYS A 19 1.477 -5.164 -11.215 1.00 0.00 C ATOM 306 CE LYS A 19 1.806 -6.625 -10.952 1.00 0.00 C ATOM 307 NZ LYS A 19 2.386 -6.827 -9.594 1.00 0.00 N1+ ATOM 0 H LYS A 19 3.061 -2.412 -10.099 1.00 0.00 H new ATOM 0 HA LYS A 19 5.603 -3.141 -11.172 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.546 -5.168 -11.721 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.709 -4.638 -10.275 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.213 -3.495 -12.342 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.676 -5.056 -12.989 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.382 -4.635 -10.267 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.513 -5.092 -11.718 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.902 -7.225 -11.054 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.510 -6.980 -11.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.195 -7.798 -9.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.414 -6.670 -9.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.955 -6.154 -8.929 1.00 0.00 H new ATOM 321 N ALA A 20 3.514 -1.634 -13.118 1.00 0.00 N ATOM 322 CA ALA A 20 3.308 -1.073 -14.444 1.00 0.00 C ATOM 323 C ALA A 20 4.438 -0.125 -14.837 1.00 0.00 C ATOM 324 O ALA A 20 4.882 -0.119 -15.985 1.00 0.00 O ATOM 325 CB ALA A 20 1.968 -0.355 -14.502 1.00 0.00 C ATOM 0 H ALA A 20 2.867 -1.286 -12.410 1.00 0.00 H new ATOM 0 HA ALA A 20 3.307 -1.895 -15.160 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.822 0.062 -15.498 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.167 -1.061 -14.283 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.954 0.449 -13.766 1.00 0.00 H new ATOM 331 N LEU A 21 4.900 0.676 -13.881 1.00 0.00 N ATOM 332 CA LEU A 21 5.977 1.626 -14.142 1.00 0.00 C ATOM 333 C LEU A 21 7.306 0.906 -14.362 1.00 0.00 C ATOM 334 O LEU A 21 8.232 1.461 -14.953 1.00 0.00 O ATOM 335 CB LEU A 21 6.092 2.635 -12.992 1.00 0.00 C ATOM 336 CG LEU A 21 6.863 2.155 -11.754 1.00 0.00 C ATOM 337 CD1 LEU A 21 8.072 3.042 -11.500 1.00 0.00 C ATOM 338 CD2 LEU A 21 5.954 2.136 -10.535 1.00 0.00 C ATOM 0 H LEU A 21 4.548 0.687 -12.924 1.00 0.00 H new ATOM 0 HA LEU A 21 5.735 2.168 -15.057 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.576 3.535 -13.371 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.087 2.920 -12.682 1.00 0.00 H new ATOM 0 HG LEU A 21 7.213 1.140 -11.941 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.606 2.686 -10.619 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.736 3.009 -12.364 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.742 4.068 -11.335 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.517 1.793 -9.667 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.575 3.141 -10.348 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.118 1.460 -10.715 1.00 0.00 H new ATOM 350 N GLY A 22 7.393 -0.332 -13.885 1.00 0.00 N ATOM 351 CA GLY A 22 8.612 -1.102 -14.047 1.00 0.00 C ATOM 352 C GLY A 22 8.726 -2.230 -13.040 1.00 0.00 C ATOM 353 O GLY A 22 7.765 -2.545 -12.339 1.00 0.00 O ATOM 0 H GLY A 22 6.643 -0.814 -13.390 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.645 -1.515 -15.055 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.472 -0.440 -13.945 1.00 0.00 H new ATOM 357 N GLY A 23 9.905 -2.840 -12.970 1.00 0.00 N ATOM 358 CA GLY A 23 10.122 -3.933 -12.039 1.00 0.00 C ATOM 359 C GLY A 23 11.465 -4.605 -12.240 1.00 0.00 C ATOM 360 O GLY A 23 11.534 -5.748 -12.693 1.00 0.00 O ATOM 0 H GLY A 23 10.714 -2.597 -13.541 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.057 -3.556 -11.018 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.328 -4.671 -12.158 1.00 0.00 H new ATOM 364 N GLY A 24 12.536 -3.895 -11.901 1.00 0.00 N ATOM 365 CA GLY A 24 13.870 -4.447 -12.053 1.00 0.00 C ATOM 366 C GLY A 24 14.914 -3.663 -11.283 1.00 0.00 C ATOM 367 O GLY A 24 15.843 -3.108 -11.873 1.00 0.00 O ATOM 0 H GLY A 24 12.504 -2.948 -11.524 1.00 0.00 H new ATOM 0 HA2 GLY A 24 13.872 -5.482 -11.711 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.136 -4.460 -13.110 1.00 0.00 H new ATOM 371 N GLY A 25 14.764 -3.618 -9.963 1.00 0.00 N ATOM 372 CA GLY A 25 15.711 -2.894 -9.134 1.00 0.00 C ATOM 373 C GLY A 25 15.026 -1.962 -8.152 1.00 0.00 C ATOM 374 O GLY A 25 14.849 -2.302 -6.983 1.00 0.00 O ATOM 0 H GLY A 25 14.005 -4.069 -9.453 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.328 -3.606 -8.585 1.00 0.00 H new ATOM 0 HA3 GLY A 25 16.381 -2.317 -9.772 1.00 0.00 H new ATOM 378 N ARG A 26 14.642 -0.783 -8.630 1.00 0.00 N ATOM 379 CA ARG A 26 13.974 0.202 -7.789 1.00 0.00 C ATOM 380 C ARG A 26 12.491 -0.127 -7.641 1.00 0.00 C ATOM 381 O ARG A 26 11.956 -0.123 -6.537 1.00 0.00 O ATOM 382 CB ARG A 26 14.143 1.607 -8.379 1.00 0.00 C ATOM 383 CG ARG A 26 13.237 2.653 -7.748 1.00 0.00 C ATOM 384 CD ARG A 26 13.773 4.059 -7.959 1.00 0.00 C ATOM 385 NE ARG A 26 14.674 4.467 -6.882 1.00 0.00 N ATOM 386 CZ ARG A 26 15.591 5.424 -7.004 1.00 0.00 C ATOM 387 NH1 ARG A 26 15.734 6.077 -8.151 1.00 0.00 N1+ ATOM 388 NH2 ARG A 26 16.369 5.731 -5.975 1.00 0.00 N ATOM 0 H ARG A 26 14.782 -0.487 -9.596 1.00 0.00 H new ATOM 0 HA ARG A 26 14.434 0.174 -6.801 1.00 0.00 H new ATOM 0 HB2 ARG A 26 15.180 1.919 -8.258 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.945 1.567 -9.450 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.238 2.576 -8.177 1.00 0.00 H new ATOM 0 HG3 ARG A 26 13.142 2.456 -6.680 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.301 4.107 -8.911 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.940 4.760 -8.020 1.00 0.00 H new ATOM 0 HE ARG A 26 14.595 3.990 -5.984 1.00 0.00 H new ATOM 0 HH11 ARG A 26 15.139 5.847 -8.947 1.00 0.00 H new ATOM 0 HH12 ARG A 26 16.439 6.809 -8.237 1.00 0.00 H new ATOM 0 HH21 ARG A 26 16.265 5.234 -5.091 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.072 6.464 -6.068 1.00 0.00 H new ATOM 402 N ILE A 27 11.838 -0.395 -8.764 1.00 0.00 N ATOM 403 CA ILE A 27 10.416 -0.717 -8.777 1.00 0.00 C ATOM 404 C ILE A 27 10.118 -2.055 -8.101 1.00 0.00 C ATOM 405 O ILE A 27 9.073 -2.219 -7.481 1.00 0.00 O ATOM 406 CB ILE A 27 9.868 -0.753 -10.216 1.00 0.00 C ATOM 407 CG1 ILE A 27 10.264 0.518 -10.971 1.00 0.00 C ATOM 408 CG2 ILE A 27 8.354 -0.922 -10.205 1.00 0.00 C ATOM 409 CD1 ILE A 27 11.096 0.256 -12.206 1.00 0.00 C ATOM 0 H ILE A 27 12.275 -0.396 -9.686 1.00 0.00 H new ATOM 0 HA ILE A 27 9.921 0.074 -8.214 1.00 0.00 H new ATOM 0 HB ILE A 27 10.305 -1.608 -10.732 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.361 1.055 -11.259 1.00 0.00 H new ATOM 0 HG13 ILE A 27 10.822 1.170 -10.299 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.983 -0.945 -11.230 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.096 -1.855 -9.704 1.00 0.00 H new ATOM 0 HG23 ILE A 27 7.898 -0.087 -9.673 1.00 0.00 H new ATOM 0 HD11 ILE A 27 11.339 1.203 -12.689 1.00 0.00 H new ATOM 0 HD12 ILE A 27 12.017 -0.254 -11.923 1.00 0.00 H new ATOM 0 HD13 ILE A 27 10.533 -0.370 -12.898 1.00 0.00 H new ATOM 421 N GLU A 28 11.027 -3.014 -8.245 1.00 0.00 N ATOM 422 CA GLU A 28 10.838 -4.345 -7.663 1.00 0.00 C ATOM 423 C GLU A 28 10.765 -4.300 -6.136 1.00 0.00 C ATOM 424 O GLU A 28 9.939 -4.979 -5.525 1.00 0.00 O ATOM 425 CB GLU A 28 11.976 -5.272 -8.094 1.00 0.00 C ATOM 426 CG GLU A 28 11.827 -5.798 -9.514 1.00 0.00 C ATOM 427 CD GLU A 28 11.831 -7.313 -9.579 1.00 0.00 C ATOM 428 OE1 GLU A 28 10.817 -7.928 -9.184 1.00 0.00 O1- ATOM 429 OE2 GLU A 28 12.848 -7.886 -10.024 1.00 0.00 O ATOM 0 H GLU A 28 11.901 -2.898 -8.758 1.00 0.00 H new ATOM 0 HA GLU A 28 9.886 -4.728 -8.031 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.921 -4.736 -8.011 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.027 -6.116 -7.406 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.897 -5.422 -9.941 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.639 -5.410 -10.128 1.00 0.00 H new ATOM 436 N GLU A 29 11.641 -3.513 -5.526 1.00 0.00 N ATOM 437 CA GLU A 29 11.691 -3.390 -4.070 1.00 0.00 C ATOM 438 C GLU A 29 10.467 -2.659 -3.516 1.00 0.00 C ATOM 439 O GLU A 29 9.960 -2.996 -2.447 1.00 0.00 O ATOM 440 CB GLU A 29 12.966 -2.658 -3.648 1.00 0.00 C ATOM 441 CG GLU A 29 13.136 -1.303 -4.314 1.00 0.00 C ATOM 442 CD GLU A 29 14.290 -0.509 -3.735 1.00 0.00 C ATOM 443 OE1 GLU A 29 15.444 -0.749 -4.149 1.00 0.00 O ATOM 444 OE2 GLU A 29 14.041 0.354 -2.867 1.00 0.00 O1- ATOM 0 H GLU A 29 12.332 -2.946 -6.018 1.00 0.00 H new ATOM 0 HA GLU A 29 11.692 -4.398 -3.656 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.957 -2.524 -2.566 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.828 -3.281 -3.885 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.298 -1.445 -5.382 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.215 -0.730 -4.205 1.00 0.00 H new ATOM 451 N LEU A 30 10.024 -1.639 -4.237 1.00 0.00 N ATOM 452 CA LEU A 30 8.888 -0.826 -3.822 1.00 0.00 C ATOM 453 C LEU A 30 7.627 -1.664 -3.617 1.00 0.00 C ATOM 454 O LEU A 30 6.930 -1.516 -2.613 1.00 0.00 O ATOM 455 CB LEU A 30 8.633 0.239 -4.888 1.00 0.00 C ATOM 456 CG LEU A 30 8.355 1.646 -4.365 1.00 0.00 C ATOM 457 CD1 LEU A 30 9.644 2.301 -3.894 1.00 0.00 C ATOM 458 CD2 LEU A 30 7.692 2.483 -5.447 1.00 0.00 C ATOM 0 H LEU A 30 10.440 -1.352 -5.123 1.00 0.00 H new ATOM 0 HA LEU A 30 9.128 -0.364 -2.865 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.500 0.281 -5.548 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.785 -0.077 -5.496 1.00 0.00 H new ATOM 0 HG LEU A 30 7.677 1.578 -3.514 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.429 3.303 -3.524 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.083 1.706 -3.094 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.345 2.364 -4.726 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.498 3.485 -5.064 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.351 2.547 -6.313 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.751 2.018 -5.741 1.00 0.00 H new ATOM 470 N LYS A 31 7.339 -2.538 -4.571 1.00 0.00 N ATOM 471 CA LYS A 31 6.157 -3.395 -4.490 1.00 0.00 C ATOM 472 C LYS A 31 6.272 -4.392 -3.346 1.00 0.00 C ATOM 473 O LYS A 31 5.274 -4.740 -2.724 1.00 0.00 O ATOM 474 CB LYS A 31 5.883 -4.134 -5.809 1.00 0.00 C ATOM 475 CG LYS A 31 7.050 -4.158 -6.784 1.00 0.00 C ATOM 476 CD LYS A 31 6.878 -5.246 -7.831 1.00 0.00 C ATOM 477 CE LYS A 31 7.486 -6.562 -7.371 1.00 0.00 C ATOM 478 NZ LYS A 31 6.669 -7.209 -6.308 1.00 0.00 N1+ ATOM 0 H LYS A 31 7.904 -2.675 -5.409 1.00 0.00 H new ATOM 0 HA LYS A 31 5.311 -2.736 -4.296 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.598 -5.161 -5.581 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.028 -3.668 -6.299 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.135 -3.189 -7.275 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.979 -4.321 -6.238 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.818 -5.387 -8.040 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.348 -4.933 -8.763 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.576 -7.238 -8.222 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.494 -6.385 -6.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.865 -8.230 -6.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.911 -6.796 -5.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.659 -7.054 -6.503 1.00 0.00 H new ATOM 492 N LYS A 32 7.488 -4.858 -3.079 1.00 0.00 N ATOM 493 CA LYS A 32 7.713 -5.828 -2.011 1.00 0.00 C ATOM 494 C LYS A 32 7.200 -5.291 -0.678 1.00 0.00 C ATOM 495 O LYS A 32 6.603 -6.025 0.110 1.00 0.00 O ATOM 496 CB LYS A 32 9.201 -6.163 -1.899 1.00 0.00 C ATOM 497 CG LYS A 32 9.695 -7.108 -2.981 1.00 0.00 C ATOM 498 CD LYS A 32 11.156 -7.473 -2.776 1.00 0.00 C ATOM 499 CE LYS A 32 11.736 -8.158 -4.002 1.00 0.00 C ATOM 500 NZ LYS A 32 11.418 -9.613 -4.030 1.00 0.00 N1+ ATOM 0 H LYS A 32 8.330 -4.582 -3.584 1.00 0.00 H new ATOM 0 HA LYS A 32 7.163 -6.736 -2.256 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.777 -5.239 -1.945 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.392 -6.610 -0.923 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.089 -8.014 -2.979 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.569 -6.642 -3.958 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.730 -6.573 -2.555 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.250 -8.131 -1.912 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.344 -7.684 -4.902 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.817 -8.023 -4.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.832 -10.042 -4.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.814 -10.071 -3.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.386 -9.743 -4.043 1.00 0.00 H new ATOM 514 N LYS A 33 7.421 -4.005 -0.439 1.00 0.00 N ATOM 515 CA LYS A 33 6.966 -3.366 0.790 1.00 0.00 C ATOM 516 C LYS A 33 5.443 -3.309 0.822 1.00 0.00 C ATOM 517 O LYS A 33 4.825 -3.440 1.879 1.00 0.00 O ATOM 518 CB LYS A 33 7.547 -1.955 0.905 1.00 0.00 C ATOM 519 CG LYS A 33 7.324 -1.317 2.267 1.00 0.00 C ATOM 520 CD LYS A 33 8.634 -0.857 2.891 1.00 0.00 C ATOM 521 CE LYS A 33 9.131 0.431 2.257 1.00 0.00 C ATOM 522 NZ LYS A 33 8.683 1.632 3.015 1.00 0.00 N1+ ATOM 0 H LYS A 33 7.913 -3.383 -1.080 1.00 0.00 H new ATOM 0 HA LYS A 33 7.315 -3.957 1.637 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.617 -1.993 0.701 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.099 -1.323 0.138 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.650 -0.466 2.165 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.836 -2.032 2.929 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.495 -0.707 3.962 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.387 -1.636 2.773 1.00 0.00 H new ATOM 0 HE2 LYS A 33 10.220 0.416 2.211 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.769 0.494 1.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.043 2.490 2.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.644 1.660 3.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.049 1.585 3.987 1.00 0.00 H new ATOM 536 N TYR A 34 4.848 -3.107 -0.349 1.00 0.00 N ATOM 537 CA TYR A 34 3.398 -3.023 -0.477 1.00 0.00 C ATOM 538 C TYR A 34 2.716 -4.279 0.065 1.00 0.00 C ATOM 539 O TYR A 34 1.652 -4.195 0.673 1.00 0.00 O ATOM 540 CB TYR A 34 3.007 -2.798 -1.942 1.00 0.00 C ATOM 541 CG TYR A 34 2.168 -1.561 -2.156 1.00 0.00 C ATOM 542 CD1 TYR A 34 0.872 -1.486 -1.664 1.00 0.00 C ATOM 543 CD2 TYR A 34 2.673 -0.468 -2.847 1.00 0.00 C ATOM 544 CE1 TYR A 34 0.103 -0.354 -1.856 1.00 0.00 C ATOM 545 CE2 TYR A 34 1.910 0.666 -3.042 1.00 0.00 C ATOM 546 CZ TYR A 34 0.626 0.718 -2.544 1.00 0.00 C ATOM 547 OH TYR A 34 -0.136 1.847 -2.731 1.00 0.00 O ATOM 0 H TYR A 34 5.352 -2.998 -1.229 1.00 0.00 H new ATOM 0 HA TYR A 34 3.058 -2.175 0.117 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.912 -2.723 -2.544 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.457 -3.668 -2.301 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.459 -2.325 -1.123 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.679 -0.505 -3.238 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.904 -0.310 -1.468 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.317 1.508 -3.582 1.00 0.00 H new ATOM 0 HH TYR A 34 0.446 2.636 -2.745 1.00 0.00 H new ATOM 557 N GLU A 35 3.329 -5.439 -0.161 1.00 0.00 N ATOM 558 CA GLU A 35 2.771 -6.704 0.308 1.00 0.00 C ATOM 559 C GLU A 35 2.543 -6.674 1.816 1.00 0.00 C ATOM 560 O GLU A 35 1.506 -7.120 2.307 1.00 0.00 O ATOM 561 CB GLU A 35 3.704 -7.862 -0.055 1.00 0.00 C ATOM 562 CG GLU A 35 3.903 -8.036 -1.552 1.00 0.00 C ATOM 563 CD GLU A 35 2.856 -8.934 -2.180 1.00 0.00 C ATOM 564 OE1 GLU A 35 1.706 -8.478 -2.346 1.00 0.00 O ATOM 565 OE2 GLU A 35 3.185 -10.094 -2.506 1.00 0.00 O1- ATOM 0 H GLU A 35 4.211 -5.528 -0.665 1.00 0.00 H new ATOM 0 HA GLU A 35 1.809 -6.852 -0.183 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.673 -7.698 0.415 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.301 -8.786 0.359 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.874 -7.059 -2.034 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.893 -8.454 -1.737 1.00 0.00 H new ATOM 572 N GLU A 36 3.516 -6.136 2.542 1.00 0.00 N ATOM 573 CA GLU A 36 3.428 -6.034 3.994 1.00 0.00 C ATOM 574 C GLU A 36 2.192 -5.238 4.400 1.00 0.00 C ATOM 575 O GLU A 36 1.540 -5.546 5.396 1.00 0.00 O ATOM 576 CB GLU A 36 4.686 -5.372 4.556 1.00 0.00 C ATOM 577 CG GLU A 36 4.931 -5.681 6.025 1.00 0.00 C ATOM 578 CD GLU A 36 6.108 -6.614 6.236 1.00 0.00 C ATOM 579 OE1 GLU A 36 6.039 -7.771 5.771 1.00 0.00 O1- ATOM 580 OE2 GLU A 36 7.098 -6.188 6.867 1.00 0.00 O ATOM 0 H GLU A 36 4.379 -5.762 2.147 1.00 0.00 H new ATOM 0 HA GLU A 36 3.345 -7.040 4.405 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.549 -5.699 3.976 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.606 -4.292 4.429 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.109 -4.750 6.564 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.035 -6.130 6.452 1.00 0.00 H new ATOM 587 N LEU A 37 1.889 -4.206 3.621 1.00 0.00 N ATOM 588 CA LEU A 37 0.743 -3.344 3.884 1.00 0.00 C ATOM 589 C LEU A 37 -0.563 -4.135 3.898 1.00 0.00 C ATOM 590 O LEU A 37 -1.404 -3.947 4.775 1.00 0.00 O ATOM 591 CB LEU A 37 0.675 -2.260 2.804 1.00 0.00 C ATOM 592 CG LEU A 37 0.842 -0.822 3.291 1.00 0.00 C ATOM 593 CD1 LEU A 37 -0.490 -0.261 3.765 1.00 0.00 C ATOM 594 CD2 LEU A 37 1.885 -0.737 4.395 1.00 0.00 C ATOM 0 H LEU A 37 2.427 -3.944 2.795 1.00 0.00 H new ATOM 0 HA LEU A 37 0.871 -2.893 4.868 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.447 -2.464 2.063 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.285 -2.341 2.295 1.00 0.00 H new ATOM 0 HG LEU A 37 1.191 -0.219 2.453 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.352 0.764 4.108 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.204 -0.275 2.942 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.870 -0.870 4.585 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.984 0.298 4.723 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.575 -1.357 5.237 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.844 -1.091 4.017 1.00 0.00 H new ATOM 606 N LYS A 38 -0.724 -5.010 2.917 1.00 0.00 N ATOM 607 CA LYS A 38 -1.927 -5.828 2.800 1.00 0.00 C ATOM 608 C LYS A 38 -2.162 -6.665 4.054 1.00 0.00 C ATOM 609 O LYS A 38 -3.298 -6.833 4.493 1.00 0.00 O ATOM 610 CB LYS A 38 -1.826 -6.742 1.577 1.00 0.00 C ATOM 611 CG LYS A 38 -1.298 -6.043 0.335 1.00 0.00 C ATOM 612 CD LYS A 38 -1.956 -6.576 -0.927 1.00 0.00 C ATOM 613 CE LYS A 38 -3.345 -5.991 -1.120 1.00 0.00 C ATOM 614 NZ LYS A 38 -4.386 -6.784 -0.410 1.00 0.00 N1+ ATOM 0 H LYS A 38 -0.033 -5.174 2.185 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.775 -5.154 2.682 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.174 -7.582 1.815 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.811 -7.154 1.360 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.478 -4.971 0.415 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.219 -6.181 0.270 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.336 -6.337 -1.791 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.022 -7.663 -0.873 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.360 -4.964 -0.756 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.579 -5.955 -2.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.242 -6.838 -0.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.028 -7.744 -0.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.616 -6.325 0.494 1.00 0.00 H new ATOM 628 N LYS A 39 -1.084 -7.201 4.615 1.00 0.00 N ATOM 629 CA LYS A 39 -1.168 -8.038 5.810 1.00 0.00 C ATOM 630 C LYS A 39 -1.700 -7.263 7.017 1.00 0.00 C ATOM 631 O LYS A 39 -2.445 -7.809 7.829 1.00 0.00 O ATOM 632 CB LYS A 39 0.205 -8.629 6.137 1.00 0.00 C ATOM 633 CG LYS A 39 0.423 -10.018 5.559 1.00 0.00 C ATOM 634 CD LYS A 39 1.736 -10.622 6.035 1.00 0.00 C ATOM 635 CE LYS A 39 1.506 -11.806 6.960 1.00 0.00 C ATOM 636 NZ LYS A 39 1.321 -11.379 8.375 1.00 0.00 N1+ ATOM 0 H LYS A 39 -0.136 -7.071 4.261 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.872 -8.842 5.595 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.978 -7.961 5.758 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.324 -8.672 7.220 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.403 -10.667 5.849 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.420 -9.965 4.470 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.323 -10.941 5.174 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.319 -9.862 6.555 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.626 -12.359 6.630 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.354 -12.488 6.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.167 -12.216 8.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.170 -10.874 8.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.496 -10.749 8.442 1.00 0.00 H new ATOM 650 N LYS A 40 -1.302 -6.001 7.141 1.00 0.00 N ATOM 651 CA LYS A 40 -1.728 -5.166 8.264 1.00 0.00 C ATOM 652 C LYS A 40 -3.240 -4.959 8.273 1.00 0.00 C ATOM 653 O LYS A 40 -3.883 -5.056 9.318 1.00 0.00 O ATOM 654 CB LYS A 40 -1.019 -3.811 8.211 1.00 0.00 C ATOM 655 CG LYS A 40 -0.541 -3.322 9.568 1.00 0.00 C ATOM 656 CD LYS A 40 0.240 -2.022 9.450 1.00 0.00 C ATOM 657 CE LYS A 40 1.707 -2.279 9.148 1.00 0.00 C ATOM 658 NZ LYS A 40 2.021 -2.081 7.706 1.00 0.00 N1+ ATOM 0 H LYS A 40 -0.685 -5.532 6.478 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.456 -5.685 9.183 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.164 -3.883 7.538 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.698 -3.071 7.786 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.398 -3.174 10.225 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.087 -4.084 10.030 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.193 -1.407 8.661 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.152 -1.458 10.379 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.324 -1.610 9.749 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.964 -3.297 9.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.962 -2.473 7.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.308 -2.567 7.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.013 -1.065 7.485 1.00 0.00 H new ATOM 672 N ILE A 41 -3.801 -4.673 7.105 1.00 0.00 N ATOM 673 CA ILE A 41 -5.237 -4.450 6.976 1.00 0.00 C ATOM 674 C ILE A 41 -6.010 -5.697 7.376 1.00 0.00 C ATOM 675 O ILE A 41 -7.092 -5.615 7.960 1.00 0.00 O ATOM 676 CB ILE A 41 -5.617 -4.055 5.534 1.00 0.00 C ATOM 677 CG1 ILE A 41 -4.803 -2.840 5.083 1.00 0.00 C ATOM 678 CG2 ILE A 41 -7.108 -3.763 5.434 1.00 0.00 C ATOM 679 CD1 ILE A 41 -4.705 -2.705 3.579 1.00 0.00 C ATOM 0 H ILE A 41 -3.282 -4.590 6.231 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.500 -3.629 7.644 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.386 -4.892 4.875 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.256 -1.937 5.492 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.798 -2.910 5.500 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.357 -3.486 4.409 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.673 -4.651 5.717 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.364 -2.942 6.104 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.115 -1.823 3.331 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.225 -3.592 3.165 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.705 -2.603 3.157 1.00 0.00 H new ATOM 691 N GLU A 42 -5.437 -6.852 7.069 1.00 0.00 N ATOM 692 CA GLU A 42 -6.051 -8.127 7.404 1.00 0.00 C ATOM 693 C GLU A 42 -6.164 -8.270 8.915 1.00 0.00 C ATOM 694 O GLU A 42 -7.110 -8.873 9.426 1.00 0.00 O ATOM 695 CB GLU A 42 -5.230 -9.281 6.821 1.00 0.00 C ATOM 696 CG GLU A 42 -6.002 -10.136 5.829 1.00 0.00 C ATOM 697 CD GLU A 42 -6.005 -11.606 6.202 1.00 0.00 C ATOM 698 OE1 GLU A 42 -6.099 -11.912 7.410 1.00 0.00 O1- ATOM 699 OE2 GLU A 42 -5.915 -12.451 5.287 1.00 0.00 O ATOM 0 H GLU A 42 -4.542 -6.931 6.586 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.051 -8.160 6.972 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.347 -8.875 6.328 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.878 -9.913 7.636 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.030 -9.778 5.770 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.566 -10.018 4.837 1.00 0.00 H new ATOM 706 N GLU A 43 -5.188 -7.712 9.624 1.00 0.00 N ATOM 707 CA GLU A 43 -5.169 -7.773 11.080 1.00 0.00 C ATOM 708 C GLU A 43 -6.197 -6.820 11.680 1.00 0.00 C ATOM 709 O GLU A 43 -6.740 -7.074 12.755 1.00 0.00 O ATOM 710 CB GLU A 43 -3.773 -7.435 11.608 1.00 0.00 C ATOM 711 CG GLU A 43 -2.698 -8.408 11.153 1.00 0.00 C ATOM 712 CD GLU A 43 -1.395 -8.231 11.908 1.00 0.00 C ATOM 713 OE1 GLU A 43 -1.016 -7.072 12.175 1.00 0.00 O1- ATOM 714 OE2 GLU A 43 -0.754 -9.253 12.232 1.00 0.00 O ATOM 0 H GLU A 43 -4.400 -7.212 9.213 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.427 -8.789 11.378 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.504 -6.430 11.282 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.800 -7.420 12.698 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.056 -9.429 11.288 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.517 -8.272 10.087 1.00 0.00 H new ATOM 721 N LEU A 44 -6.460 -5.723 10.976 1.00 0.00 N ATOM 722 CA LEU A 44 -7.423 -4.732 11.439 1.00 0.00 C ATOM 723 C LEU A 44 -8.808 -5.351 11.597 1.00 0.00 C ATOM 724 O LEU A 44 -9.606 -5.363 10.660 1.00 0.00 O ATOM 725 CB LEU A 44 -7.480 -3.556 10.460 1.00 0.00 C ATOM 726 CG LEU A 44 -6.792 -2.278 10.942 1.00 0.00 C ATOM 727 CD1 LEU A 44 -6.470 -1.369 9.767 1.00 0.00 C ATOM 728 CD2 LEU A 44 -7.667 -1.554 11.955 1.00 0.00 C ATOM 0 H LEU A 44 -6.020 -5.499 10.084 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.098 -4.369 12.414 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.023 -3.864 9.519 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.525 -3.330 10.248 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.856 -2.552 11.428 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.981 -0.465 10.130 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.806 -1.889 9.076 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.392 -1.101 9.251 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.163 -0.647 12.288 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.618 -1.292 11.492 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.847 -2.204 12.811 1.00 0.00 H new ATOM 740 N GLY A 45 -9.087 -5.865 12.791 1.00 0.00 N ATOM 741 CA GLY A 45 -10.376 -6.479 13.050 1.00 0.00 C ATOM 742 C GLY A 45 -11.471 -5.455 13.277 1.00 0.00 C ATOM 743 O GLY A 45 -12.504 -5.483 12.609 1.00 0.00 O ATOM 0 H GLY A 45 -8.444 -5.867 13.583 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.647 -7.116 12.208 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.299 -7.124 13.925 1.00 0.00 H new ATOM 747 N GLY A 46 -11.244 -4.549 14.223 1.00 0.00 N ATOM 748 CA GLY A 46 -12.228 -3.525 14.519 1.00 0.00 C ATOM 749 C GLY A 46 -12.185 -2.377 13.529 1.00 0.00 C ATOM 750 O GLY A 46 -11.975 -2.586 12.334 1.00 0.00 O ATOM 0 H GLY A 46 -10.397 -4.506 14.789 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.223 -3.969 14.513 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -12.057 -3.140 15.524 1.00 0.00 H new ATOM 754 N GLY A 47 -12.383 -1.161 14.028 1.00 0.00 N ATOM 755 CA GLY A 47 -12.360 0.006 13.166 1.00 0.00 C ATOM 756 C GLY A 47 -11.749 1.217 13.844 1.00 0.00 C ATOM 757 O GLY A 47 -12.459 2.022 14.448 1.00 0.00 O ATOM 0 H GLY A 47 -12.559 -0.963 15.013 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.795 -0.224 12.263 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.377 0.243 12.854 1.00 0.00 H new ATOM 761 N GLY A 48 -10.430 1.347 13.743 1.00 0.00 N ATOM 762 CA GLY A 48 -9.746 2.471 14.355 1.00 0.00 C ATOM 763 C GLY A 48 -8.417 2.772 13.689 1.00 0.00 C ATOM 764 O GLY A 48 -8.115 3.925 13.385 1.00 0.00 O ATOM 0 H GLY A 48 -9.823 0.694 13.248 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.384 3.353 14.302 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.580 2.260 15.412 1.00 0.00 H new ATOM 768 N GLU A 49 -7.623 1.730 13.464 1.00 0.00 N ATOM 769 CA GLU A 49 -6.318 1.888 12.830 1.00 0.00 C ATOM 770 C GLU A 49 -6.442 1.925 11.307 1.00 0.00 C ATOM 771 O GLU A 49 -5.444 2.068 10.600 1.00 0.00 O ATOM 772 CB GLU A 49 -5.388 0.747 13.249 1.00 0.00 C ATOM 773 CG GLU A 49 -3.994 0.848 12.651 1.00 0.00 C ATOM 774 CD GLU A 49 -3.015 -0.118 13.290 1.00 0.00 C ATOM 775 OE1 GLU A 49 -3.375 -1.302 13.459 1.00 0.00 O ATOM 776 OE2 GLU A 49 -1.889 0.308 13.620 1.00 0.00 O1- ATOM 0 H GLU A 49 -7.859 0.769 13.711 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.897 2.838 13.160 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.308 0.735 14.336 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -5.834 -0.202 12.952 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.047 0.651 11.580 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.624 1.866 12.770 1.00 0.00 H new ATOM 783 N VAL A 50 -7.668 1.797 10.803 1.00 0.00 N ATOM 784 CA VAL A 50 -7.909 1.817 9.364 1.00 0.00 C ATOM 785 C VAL A 50 -7.364 3.093 8.731 1.00 0.00 C ATOM 786 O VAL A 50 -6.848 3.071 7.614 1.00 0.00 O ATOM 787 CB VAL A 50 -9.409 1.701 9.044 1.00 0.00 C ATOM 788 CG1 VAL A 50 -9.944 0.342 9.472 1.00 0.00 C ATOM 789 CG2 VAL A 50 -10.187 2.822 9.715 1.00 0.00 C ATOM 0 H VAL A 50 -8.508 1.679 11.370 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.388 0.956 8.946 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.539 1.794 7.966 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.007 0.279 9.237 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.408 -0.444 8.940 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.801 0.216 10.545 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.246 2.723 9.477 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.051 2.764 10.795 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.823 3.784 9.355 1.00 0.00 H new ATOM 799 N LYS A 51 -7.481 4.204 9.451 1.00 0.00 N ATOM 800 CA LYS A 51 -6.996 5.488 8.957 1.00 0.00 C ATOM 801 C LYS A 51 -5.473 5.504 8.898 1.00 0.00 C ATOM 802 O LYS A 51 -4.880 6.141 8.027 1.00 0.00 O ATOM 803 CB LYS A 51 -7.495 6.623 9.853 1.00 0.00 C ATOM 804 CG LYS A 51 -8.900 7.095 9.514 1.00 0.00 C ATOM 805 CD LYS A 51 -9.956 6.156 10.078 1.00 0.00 C ATOM 806 CE LYS A 51 -10.983 6.908 10.911 1.00 0.00 C ATOM 807 NZ LYS A 51 -11.583 6.043 11.966 1.00 0.00 N1+ ATOM 0 H LYS A 51 -7.907 4.241 10.377 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.384 5.633 7.949 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.473 6.291 10.891 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.809 7.466 9.773 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.054 8.098 9.912 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.011 7.161 8.432 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.458 5.638 9.261 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.476 5.394 10.692 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.510 7.773 11.376 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.771 7.287 10.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.278 6.592 12.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.056 5.231 11.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.835 5.702 12.602 1.00 0.00 H new ATOM 821 N LYS A 52 -4.844 4.796 9.831 1.00 0.00 N ATOM 822 CA LYS A 52 -3.389 4.722 9.889 1.00 0.00 C ATOM 823 C LYS A 52 -2.832 3.956 8.694 1.00 0.00 C ATOM 824 O LYS A 52 -1.746 4.259 8.204 1.00 0.00 O ATOM 825 CB LYS A 52 -2.945 4.054 11.193 1.00 0.00 C ATOM 826 CG LYS A 52 -2.618 5.041 12.302 1.00 0.00 C ATOM 827 CD LYS A 52 -1.317 4.683 13.005 1.00 0.00 C ATOM 828 CE LYS A 52 -1.572 3.941 14.307 1.00 0.00 C ATOM 829 NZ LYS A 52 -0.655 2.780 14.473 1.00 0.00 N1+ ATOM 0 H LYS A 52 -5.321 4.264 10.559 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.997 5.738 9.857 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.734 3.384 11.535 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.067 3.438 10.996 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.543 6.045 11.885 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.432 5.057 13.027 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.705 4.066 12.347 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.750 5.592 13.208 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.446 4.626 15.146 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.605 3.594 14.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.400 2.680 15.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.130 1.913 14.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.206 2.935 13.911 1.00 0.00 H new ATOM 843 N VAL A 53 -3.580 2.957 8.236 1.00 0.00 N ATOM 844 CA VAL A 53 -3.163 2.138 7.103 1.00 0.00 C ATOM 845 C VAL A 53 -3.178 2.935 5.800 1.00 0.00 C ATOM 846 O VAL A 53 -2.305 2.767 4.952 1.00 0.00 O ATOM 847 CB VAL A 53 -4.069 0.899 6.946 1.00 0.00 C ATOM 848 CG1 VAL A 53 -3.597 0.020 5.795 1.00 0.00 C ATOM 849 CG2 VAL A 53 -4.117 0.108 8.246 1.00 0.00 C ATOM 0 H VAL A 53 -4.482 2.694 8.634 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.143 1.814 7.309 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.077 1.241 6.713 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.253 -0.846 5.706 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.622 0.591 4.867 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.578 -0.315 5.987 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.760 -0.763 8.119 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.111 -0.219 8.510 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.514 0.739 9.041 1.00 0.00 H new ATOM 859 N GLU A 54 -4.181 3.788 5.639 1.00 0.00 N ATOM 860 CA GLU A 54 -4.307 4.599 4.432 1.00 0.00 C ATOM 861 C GLU A 54 -3.168 5.610 4.316 1.00 0.00 C ATOM 862 O GLU A 54 -2.744 5.955 3.215 1.00 0.00 O ATOM 863 CB GLU A 54 -5.651 5.330 4.423 1.00 0.00 C ATOM 864 CG GLU A 54 -6.848 4.406 4.570 1.00 0.00 C ATOM 865 CD GLU A 54 -8.163 5.158 4.611 1.00 0.00 C ATOM 866 OE1 GLU A 54 -8.518 5.676 5.691 1.00 0.00 O1- ATOM 867 OE2 GLU A 54 -8.839 5.229 3.564 1.00 0.00 O ATOM 0 H GLU A 54 -4.919 3.937 6.327 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.254 3.927 3.575 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.664 6.059 5.233 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.745 5.888 3.491 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.863 3.701 3.739 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.740 3.820 5.483 1.00 0.00 H new ATOM 874 N GLU A 55 -2.695 6.098 5.456 1.00 0.00 N ATOM 875 CA GLU A 55 -1.620 7.088 5.486 1.00 0.00 C ATOM 876 C GLU A 55 -0.268 6.499 5.069 1.00 0.00 C ATOM 877 O GLU A 55 0.523 7.162 4.400 1.00 0.00 O ATOM 878 CB GLU A 55 -1.508 7.696 6.885 1.00 0.00 C ATOM 879 CG GLU A 55 -1.315 9.203 6.880 1.00 0.00 C ATOM 880 CD GLU A 55 -2.299 9.923 7.781 1.00 0.00 C ATOM 881 OE1 GLU A 55 -3.390 10.290 7.296 1.00 0.00 O1- ATOM 882 OE2 GLU A 55 -1.980 10.118 8.973 1.00 0.00 O ATOM 0 H GLU A 55 -3.039 5.824 6.376 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.876 7.861 4.762 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.409 7.455 7.450 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.671 7.233 7.407 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.299 9.436 7.199 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.422 9.575 5.861 1.00 0.00 H new ATOM 889 N GLU A 56 0.005 5.270 5.496 1.00 0.00 N ATOM 890 CA GLU A 56 1.278 4.619 5.193 1.00 0.00 C ATOM 891 C GLU A 56 1.419 4.268 3.711 1.00 0.00 C ATOM 892 O GLU A 56 2.508 4.368 3.148 1.00 0.00 O ATOM 893 CB GLU A 56 1.447 3.361 6.050 1.00 0.00 C ATOM 894 CG GLU A 56 0.383 2.306 5.812 1.00 0.00 C ATOM 895 CD GLU A 56 0.686 1.006 6.532 1.00 0.00 C ATOM 896 OE1 GLU A 56 1.880 0.694 6.716 1.00 0.00 O ATOM 897 OE2 GLU A 56 -0.272 0.302 6.915 1.00 0.00 O1- ATOM 0 H GLU A 56 -0.636 4.704 6.052 1.00 0.00 H new ATOM 0 HA GLU A 56 2.066 5.333 5.431 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.426 2.926 5.850 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.433 3.646 7.102 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.583 2.686 6.145 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.298 2.114 4.742 1.00 0.00 H new ATOM 904 N VAL A 57 0.325 3.851 3.084 1.00 0.00 N ATOM 905 CA VAL A 57 0.357 3.481 1.671 1.00 0.00 C ATOM 906 C VAL A 57 0.535 4.707 0.777 1.00 0.00 C ATOM 907 O VAL A 57 1.208 4.643 -0.251 1.00 0.00 O ATOM 908 CB VAL A 57 -0.916 2.712 1.254 1.00 0.00 C ATOM 909 CG1 VAL A 57 -2.113 3.646 1.137 1.00 0.00 C ATOM 910 CG2 VAL A 57 -0.680 1.969 -0.053 1.00 0.00 C ATOM 0 H VAL A 57 -0.590 3.760 3.526 1.00 0.00 H new ATOM 0 HA VAL A 57 1.216 2.824 1.539 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.142 1.983 2.033 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.993 3.074 0.842 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.297 4.124 2.099 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.907 4.409 0.386 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.586 1.432 -0.335 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.423 2.683 -0.836 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.138 1.260 0.074 1.00 0.00 H new ATOM 920 N LYS A 58 -0.066 5.824 1.179 1.00 0.00 N ATOM 921 CA LYS A 58 0.033 7.063 0.418 1.00 0.00 C ATOM 922 C LYS A 58 1.495 7.447 0.201 1.00 0.00 C ATOM 923 O LYS A 58 1.852 8.022 -0.825 1.00 0.00 O ATOM 924 CB LYS A 58 -0.731 8.194 1.122 1.00 0.00 C ATOM 925 CG LYS A 58 0.020 8.836 2.281 1.00 0.00 C ATOM 926 CD LYS A 58 0.463 10.251 1.942 1.00 0.00 C ATOM 927 CE LYS A 58 1.640 10.687 2.798 1.00 0.00 C ATOM 928 NZ LYS A 58 1.301 10.688 4.248 1.00 0.00 N1+ ATOM 0 H LYS A 58 -0.627 5.895 2.028 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.424 6.903 -0.559 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.971 8.965 0.389 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.678 7.801 1.492 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.619 8.855 3.164 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.891 8.231 2.531 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.738 10.304 0.889 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.370 10.939 2.089 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.484 10.019 2.623 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.957 11.686 2.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.101 11.071 4.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.460 11.278 4.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.106 9.715 4.559 1.00 0.00 H new ATOM 942 N LYS A 59 2.332 7.128 1.180 1.00 0.00 N ATOM 943 CA LYS A 59 3.756 7.431 1.106 1.00 0.00 C ATOM 944 C LYS A 59 4.442 6.594 0.029 1.00 0.00 C ATOM 945 O LYS A 59 5.348 7.067 -0.652 1.00 0.00 O ATOM 946 CB LYS A 59 4.420 7.179 2.461 1.00 0.00 C ATOM 947 CG LYS A 59 3.765 7.928 3.608 1.00 0.00 C ATOM 948 CD LYS A 59 4.343 7.508 4.950 1.00 0.00 C ATOM 949 CE LYS A 59 5.640 8.240 5.249 1.00 0.00 C ATOM 950 NZ LYS A 59 6.555 7.427 6.098 1.00 0.00 N1+ ATOM 0 H LYS A 59 2.048 6.657 2.039 1.00 0.00 H new ATOM 0 HA LYS A 59 3.863 8.483 0.842 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.396 6.110 2.675 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.469 7.468 2.401 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.904 9.000 3.470 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.691 7.742 3.599 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.619 7.711 5.739 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.522 6.433 4.950 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.140 8.490 4.313 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.418 9.181 5.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.428 7.962 6.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.089 7.210 7.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.788 6.540 5.607 1.00 0.00 H new ATOM 964 N LEU A 60 4.016 5.340 -0.099 1.00 0.00 N ATOM 965 CA LEU A 60 4.598 4.418 -1.075 1.00 0.00 C ATOM 966 C LEU A 60 4.476 4.944 -2.504 1.00 0.00 C ATOM 967 O LEU A 60 5.435 4.888 -3.275 1.00 0.00 O ATOM 968 CB LEU A 60 3.916 3.052 -0.967 1.00 0.00 C ATOM 969 CG LEU A 60 4.739 1.866 -1.470 1.00 0.00 C ATOM 970 CD1 LEU A 60 5.117 2.057 -2.931 1.00 0.00 C ATOM 971 CD2 LEU A 60 5.984 1.678 -0.617 1.00 0.00 C ATOM 0 H LEU A 60 3.267 4.936 0.463 1.00 0.00 H new ATOM 0 HA LEU A 60 5.660 4.324 -0.847 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.657 2.876 0.077 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.981 3.087 -1.526 1.00 0.00 H new ATOM 0 HG LEU A 60 4.128 0.967 -1.388 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.702 1.202 -3.270 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.212 2.139 -3.533 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.708 2.967 -3.038 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.556 0.829 -0.991 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.597 2.578 -0.664 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.692 1.492 0.417 1.00 0.00 H new ATOM 983 N GLU A 61 3.299 5.447 -2.859 1.00 0.00 N ATOM 984 CA GLU A 61 3.074 5.971 -4.205 1.00 0.00 C ATOM 985 C GLU A 61 3.865 7.257 -4.434 1.00 0.00 C ATOM 986 O GLU A 61 4.321 7.525 -5.544 1.00 0.00 O ATOM 987 CB GLU A 61 1.582 6.214 -4.455 1.00 0.00 C ATOM 988 CG GLU A 61 0.917 7.112 -3.424 1.00 0.00 C ATOM 989 CD GLU A 61 1.236 8.580 -3.635 1.00 0.00 C ATOM 990 OE1 GLU A 61 1.724 8.931 -4.729 1.00 0.00 O1- ATOM 991 OE2 GLU A 61 0.994 9.379 -2.705 1.00 0.00 O ATOM 0 H GLU A 61 2.490 5.504 -2.240 1.00 0.00 H new ATOM 0 HA GLU A 61 3.426 5.222 -4.914 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.458 6.659 -5.442 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.066 5.254 -4.471 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.163 6.969 -3.466 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.239 6.814 -2.426 1.00 0.00 H new ATOM 998 N GLU A 62 4.024 8.046 -3.378 1.00 0.00 N ATOM 999 CA GLU A 62 4.760 9.304 -3.461 1.00 0.00 C ATOM 1000 C GLU A 62 6.180 9.070 -3.960 1.00 0.00 C ATOM 1001 O GLU A 62 6.720 9.867 -4.728 1.00 0.00 O ATOM 1002 CB GLU A 62 4.792 9.992 -2.095 1.00 0.00 C ATOM 1003 CG GLU A 62 3.642 10.957 -1.872 1.00 0.00 C ATOM 1004 CD GLU A 62 4.015 12.392 -2.190 1.00 0.00 C ATOM 1005 OE1 GLU A 62 4.335 12.676 -3.364 1.00 0.00 O1- ATOM 1006 OE2 GLU A 62 3.987 13.231 -1.266 1.00 0.00 O ATOM 0 H GLU A 62 3.652 7.837 -2.451 1.00 0.00 H new ATOM 0 HA GLU A 62 4.247 9.951 -4.172 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.773 9.232 -1.314 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.733 10.532 -1.992 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.797 10.659 -2.493 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.314 10.892 -0.835 1.00 0.00 H new ATOM 1013 N GLU A 63 6.776 7.964 -3.527 1.00 0.00 N ATOM 1014 CA GLU A 63 8.129 7.617 -3.939 1.00 0.00 C ATOM 1015 C GLU A 63 8.151 7.282 -5.422 1.00 0.00 C ATOM 1016 O GLU A 63 9.133 7.538 -6.116 1.00 0.00 O ATOM 1017 CB GLU A 63 8.652 6.430 -3.126 1.00 0.00 C ATOM 1018 CG GLU A 63 8.443 6.577 -1.628 1.00 0.00 C ATOM 1019 CD GLU A 63 9.297 7.674 -1.023 1.00 0.00 C ATOM 1020 OE1 GLU A 63 9.816 8.514 -1.789 1.00 0.00 O1- ATOM 1021 OE2 GLU A 63 9.447 7.694 0.217 1.00 0.00 O ATOM 0 H GLU A 63 6.343 7.294 -2.892 1.00 0.00 H new ATOM 0 HA GLU A 63 8.777 8.474 -3.756 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.155 5.521 -3.466 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.716 6.305 -3.325 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.392 6.790 -1.431 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.674 5.631 -1.138 1.00 0.00 H new ATOM 1028 N ILE A 64 7.052 6.704 -5.899 1.00 0.00 N ATOM 1029 CA ILE A 64 6.934 6.331 -7.304 1.00 0.00 C ATOM 1030 C ILE A 64 7.122 7.544 -8.213 1.00 0.00 C ATOM 1031 O ILE A 64 7.804 7.466 -9.234 1.00 0.00 O ATOM 1032 CB ILE A 64 5.565 5.684 -7.600 1.00 0.00 C ATOM 1033 CG1 ILE A 64 5.341 4.475 -6.690 1.00 0.00 C ATOM 1034 CG2 ILE A 64 5.470 5.276 -9.063 1.00 0.00 C ATOM 1035 CD1 ILE A 64 3.995 3.813 -6.884 1.00 0.00 C ATOM 0 H ILE A 64 6.232 6.484 -5.334 1.00 0.00 H new ATOM 0 HA ILE A 64 7.721 5.605 -7.507 1.00 0.00 H new ATOM 0 HB ILE A 64 4.785 6.419 -7.399 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.127 3.742 -6.873 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.435 4.790 -5.651 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.497 4.822 -9.252 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.588 6.156 -9.695 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.257 4.557 -9.292 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.906 2.964 -6.206 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.203 4.531 -6.672 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.905 3.466 -7.914 1.00 0.00 H new ATOM 1047 N LYS A 65 6.513 8.662 -7.834 1.00 0.00 N ATOM 1048 CA LYS A 65 6.614 9.889 -8.615 1.00 0.00 C ATOM 1049 C LYS A 65 8.038 10.436 -8.590 1.00 0.00 C ATOM 1050 O LYS A 65 8.465 11.122 -9.519 1.00 0.00 O ATOM 1051 CB LYS A 65 5.642 10.941 -8.079 1.00 0.00 C ATOM 1052 CG LYS A 65 4.267 10.881 -8.724 1.00 0.00 C ATOM 1053 CD LYS A 65 3.609 9.527 -8.512 1.00 0.00 C ATOM 1054 CE LYS A 65 2.429 9.325 -9.450 1.00 0.00 C ATOM 1055 NZ LYS A 65 1.138 9.259 -8.711 1.00 0.00 N1+ ATOM 0 H LYS A 65 5.944 8.744 -6.991 1.00 0.00 H new ATOM 0 HA LYS A 65 6.353 9.655 -9.647 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.535 10.810 -7.002 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.067 11.932 -8.239 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.634 11.664 -8.306 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.356 11.080 -9.792 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.342 8.736 -8.673 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.272 9.443 -7.479 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.394 10.142 -10.170 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.570 8.405 -10.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.359 9.121 -9.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.162 8.464 -8.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.991 10.147 -8.189 1.00 0.00 H new ATOM 1069 N LYS A 66 8.767 10.128 -7.523 1.00 0.00 N ATOM 1070 CA LYS A 66 10.143 10.589 -7.378 1.00 0.00 C ATOM 1071 C LYS A 66 11.073 9.849 -8.335 1.00 0.00 C ATOM 1072 O LYS A 66 12.127 10.363 -8.710 1.00 0.00 O ATOM 1073 CB LYS A 66 10.617 10.397 -5.937 1.00 0.00 C ATOM 1074 CG LYS A 66 9.728 11.077 -4.907 1.00 0.00 C ATOM 1075 CD LYS A 66 10.549 11.812 -3.857 1.00 0.00 C ATOM 1076 CE LYS A 66 10.588 13.309 -4.125 1.00 0.00 C ATOM 1077 NZ LYS A 66 11.974 13.789 -4.388 1.00 0.00 N1+ ATOM 0 H LYS A 66 8.428 9.561 -6.746 1.00 0.00 H new ATOM 0 HA LYS A 66 10.171 11.650 -7.625 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.662 9.330 -5.718 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.631 10.785 -5.842 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.063 11.780 -5.407 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.098 10.332 -4.421 1.00 0.00 H new ATOM 0 HD2 LYS A 66 10.125 11.629 -2.869 1.00 0.00 H new ATOM 0 HD3 LYS A 66 11.565 11.417 -3.846 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.954 13.541 -4.981 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.175 13.842 -3.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.959 14.814 -4.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 12.573 13.590 -3.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 12.359 13.299 -5.220 1.00 0.00 H new ATOM 1091 N LEU A 67 10.681 8.640 -8.726 1.00 0.00 N ATOM 1092 CA LEU A 67 11.485 7.835 -9.637 1.00 0.00 C ATOM 1093 C LEU A 67 10.921 7.888 -11.055 1.00 0.00 C ATOM 1094 O LEU A 67 11.724 7.945 -12.009 1.00 0.00 O ATOM 1095 CB LEU A 67 11.558 6.384 -9.141 1.00 0.00 C ATOM 1096 CG LEU A 67 10.394 5.480 -9.557 1.00 0.00 C ATOM 1097 CD1 LEU A 67 10.623 4.918 -10.952 1.00 0.00 C ATOM 1098 CD2 LEU A 67 10.207 4.354 -8.550 1.00 0.00 C ATOM 1099 OXT LEU A 67 9.680 7.872 -11.197 1.00 0.00 O ATOM 0 H LEU A 67 9.812 8.197 -8.426 1.00 0.00 H new ATOM 0 HA LEU A 67 12.493 8.248 -9.659 1.00 0.00 H new ATOM 0 HB2 LEU A 67 12.485 5.941 -9.505 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.615 6.394 -8.053 1.00 0.00 H new ATOM 0 HG LEU A 67 9.484 6.079 -9.576 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.785 4.278 -11.229 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.705 5.738 -11.666 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.544 4.334 -10.963 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.376 3.722 -8.862 1.00 0.00 H new ATOM 0 HD22 LEU A 67 11.118 3.757 -8.498 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.994 4.776 -7.568 1.00 0.00 H new TER 1111 LEU A 67