USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 572 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 59 LYS NZ :NH3+ 164:sc= -2.76! (180deg=-2.83!) USER MOD Set 1.2: A 63 TYR OH : rot 15:sc= 1.07 USER MOD Single : A 4 SER OG : rot 26:sc= 0.0386 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0036 USER MOD Single : A 7 GLN : amide:sc= -0.263 X(o=-0.26,f=-0.26) USER MOD Single : A 8 LYS NZ :NH3+ 158:sc= -0.105 (180deg=-0.692) USER MOD Single : A 14 THR OG1 : rot 60:sc= 1.22 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -33:sc= 0.288 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.389 X(o=-0.39,f=-0.58) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.59 USER MOD Single : A 32 TYR OH : rot 180:sc= -0.907 USER MOD Single : A 33 GLN : amide:sc= -1.68 X(o=-1.7,f=-1.7!) USER MOD Single : A 34 HIS : no HE2:sc= 0.132 K(o=0.13,f=-0.55) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 135:sc= -1.12 (180deg=-1.74) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 67:sc= -3.44! USER MOD Single : A 62 GLN : amide:sc=-0.00662 X(o=-0.0066,f=-0.073) USER MOD Single : A 69 LYS NZ :NH3+ 167:sc= -8.49! (180deg=-9.16!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot -21:sc= -2.19! USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 4 15.706 -8.889 -0.515 1.00 1.00 N ATOM 16 CA SER A 4 15.931 -7.732 0.343 1.00 1.00 C ATOM 17 C SER A 4 14.602 -7.161 0.814 1.00 1.00 C ATOM 18 O SER A 4 13.562 -7.391 0.197 1.00 1.00 O ATOM 19 CB SER A 4 16.716 -6.660 -0.415 1.00 1.00 C ATOM 20 OG SER A 4 18.005 -7.164 -0.736 1.00 1.00 O ATOM 0 HA SER A 4 16.508 -8.049 1.212 1.00 1.00 H new ATOM 0 HB2 SER A 4 16.185 -6.379 -1.325 1.00 1.00 H new ATOM 0 HB3 SER A 4 16.805 -5.760 0.193 1.00 1.00 H new ATOM 0 HG SER A 4 17.969 -8.142 -0.792 1.00 1.00 H new ATOM 26 N THR A 5 14.644 -6.417 1.910 1.00 1.00 N ATOM 27 CA THR A 5 13.433 -5.827 2.455 1.00 1.00 C ATOM 28 C THR A 5 12.816 -4.868 1.451 1.00 1.00 C ATOM 29 O THR A 5 11.603 -4.869 1.242 1.00 1.00 O ATOM 30 CB THR A 5 13.745 -5.060 3.747 1.00 1.00 C ATOM 31 OG1 THR A 5 14.591 -5.849 4.567 1.00 1.00 O ATOM 32 CG2 THR A 5 12.452 -4.765 4.512 1.00 1.00 C ATOM 0 H THR A 5 15.494 -6.210 2.434 1.00 1.00 H new ATOM 0 HA THR A 5 12.732 -6.633 2.671 1.00 1.00 H new ATOM 0 HB THR A 5 14.236 -4.121 3.490 1.00 1.00 H new ATOM 0 HG1 THR A 5 14.794 -5.361 5.393 1.00 1.00 H new ATOM 0 HG21 THR A 5 12.687 -4.221 5.427 1.00 1.00 H new ATOM 0 HG22 THR A 5 11.791 -4.162 3.890 1.00 1.00 H new ATOM 0 HG23 THR A 5 11.957 -5.703 4.765 1.00 1.00 H new ATOM 40 N LEU A 6 13.650 -4.044 0.826 1.00 1.00 N ATOM 41 CA LEU A 6 13.153 -3.081 -0.148 1.00 1.00 C ATOM 42 C LEU A 6 12.597 -3.794 -1.380 1.00 1.00 C ATOM 43 O LEU A 6 11.512 -3.481 -1.868 1.00 1.00 O ATOM 44 CB LEU A 6 14.302 -2.141 -0.564 1.00 1.00 C ATOM 45 CG LEU A 6 13.757 -0.754 -0.957 1.00 1.00 C ATOM 46 CD1 LEU A 6 12.686 -0.912 -2.040 1.00 1.00 C ATOM 47 CD2 LEU A 6 13.160 -0.041 0.282 1.00 1.00 C ATOM 0 H LEU A 6 14.659 -4.023 0.974 1.00 1.00 H new ATOM 0 HA LEU A 6 12.348 -2.504 0.306 1.00 1.00 H new ATOM 0 HB2 LEU A 6 15.011 -2.039 0.258 1.00 1.00 H new ATOM 0 HB3 LEU A 6 14.847 -2.574 -1.403 1.00 1.00 H new ATOM 0 HG LEU A 6 14.575 -0.147 -1.346 1.00 1.00 H new ATOM 0 HD11 LEU A 6 12.301 0.069 -2.317 1.00 1.00 H new ATOM 0 HD12 LEU A 6 13.123 -1.391 -2.916 1.00 1.00 H new ATOM 0 HD13 LEU A 6 11.871 -1.527 -1.659 1.00 1.00 H new ATOM 0 HD21 LEU A 6 12.779 0.938 -0.010 1.00 1.00 H new ATOM 0 HD22 LEU A 6 12.346 -0.641 0.690 1.00 1.00 H new ATOM 0 HD23 LEU A 6 13.934 0.082 1.039 1.00 1.00 H new ATOM 59 N GLN A 7 13.350 -4.757 -1.881 1.00 1.00 N ATOM 60 CA GLN A 7 12.923 -5.480 -3.062 1.00 1.00 C ATOM 61 C GLN A 7 11.577 -6.139 -2.824 1.00 1.00 C ATOM 62 O GLN A 7 10.686 -6.082 -3.671 1.00 1.00 O ATOM 63 CB GLN A 7 13.969 -6.534 -3.435 1.00 1.00 C ATOM 64 CG GLN A 7 13.569 -7.237 -4.739 1.00 1.00 C ATOM 65 CD GLN A 7 13.512 -6.229 -5.881 1.00 1.00 C ATOM 66 OE1 GLN A 7 14.532 -5.644 -6.247 1.00 1.00 O ATOM 67 NE2 GLN A 7 12.368 -5.983 -6.459 1.00 1.00 N ATOM 0 H GLN A 7 14.247 -5.052 -1.495 1.00 1.00 H new ATOM 0 HA GLN A 7 12.820 -4.774 -3.886 1.00 1.00 H new ATOM 0 HB2 GLN A 7 14.945 -6.063 -3.551 1.00 1.00 H new ATOM 0 HB3 GLN A 7 14.062 -7.265 -2.632 1.00 1.00 H new ATOM 0 HG2 GLN A 7 14.287 -8.023 -4.973 1.00 1.00 H new ATOM 0 HG3 GLN A 7 12.598 -7.718 -4.619 1.00 1.00 H new ATOM 0 HE21 GLN A 7 11.526 -6.470 -6.152 1.00 1.00 H new ATOM 0 HE22 GLN A 7 12.316 -5.303 -7.218 1.00 1.00 H new ATOM 76 N LYS A 8 11.436 -6.768 -1.669 1.00 1.00 N ATOM 77 CA LYS A 8 10.193 -7.441 -1.338 1.00 1.00 C ATOM 78 C LYS A 8 9.056 -6.430 -1.243 1.00 1.00 C ATOM 79 O LYS A 8 7.955 -6.670 -1.737 1.00 1.00 O ATOM 80 CB LYS A 8 10.336 -8.199 -0.011 1.00 1.00 C ATOM 81 CG LYS A 8 9.355 -9.377 0.033 1.00 1.00 C ATOM 82 CD LYS A 8 9.625 -10.200 1.284 1.00 1.00 C ATOM 83 CE LYS A 8 8.657 -11.380 1.333 1.00 1.00 C ATOM 84 NZ LYS A 8 8.878 -12.250 0.143 1.00 1.00 N ATOM 0 H LYS A 8 12.159 -6.826 -0.952 1.00 1.00 H new ATOM 0 HA LYS A 8 9.963 -8.156 -2.128 1.00 1.00 H new ATOM 0 HB2 LYS A 8 11.358 -8.562 0.101 1.00 1.00 H new ATOM 0 HB3 LYS A 8 10.144 -7.525 0.824 1.00 1.00 H new ATOM 0 HG2 LYS A 8 8.328 -9.012 0.037 1.00 1.00 H new ATOM 0 HG3 LYS A 8 9.470 -9.996 -0.857 1.00 1.00 H new ATOM 0 HD2 LYS A 8 10.654 -10.559 1.281 1.00 1.00 H new ATOM 0 HD3 LYS A 8 9.506 -9.581 2.173 1.00 1.00 H new ATOM 0 HE2 LYS A 8 8.809 -11.952 2.249 1.00 1.00 H new ATOM 0 HE3 LYS A 8 7.628 -11.020 1.349 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 8.519 -13.206 0.340 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 8.374 -11.853 -0.676 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 9.895 -12.299 -0.067 1.00 1.00 H new ATOM 98 N ALA A 9 9.330 -5.297 -0.601 1.00 1.00 N ATOM 99 CA ALA A 9 8.317 -4.268 -0.446 1.00 1.00 C ATOM 100 C ALA A 9 7.779 -3.855 -1.814 1.00 1.00 C ATOM 101 O ALA A 9 6.569 -3.717 -2.005 1.00 1.00 O ATOM 102 CB ALA A 9 8.919 -3.054 0.279 1.00 1.00 C ATOM 0 H ALA A 9 10.235 -5.074 -0.186 1.00 1.00 H new ATOM 0 HA ALA A 9 7.492 -4.662 0.148 1.00 1.00 H new ATOM 0 HB1 ALA A 9 8.156 -2.284 0.394 1.00 1.00 H new ATOM 0 HB2 ALA A 9 9.278 -3.359 1.262 1.00 1.00 H new ATOM 0 HB3 ALA A 9 9.750 -2.658 -0.304 1.00 1.00 H new ATOM 108 N ILE A 10 8.692 -3.672 -2.759 1.00 1.00 N ATOM 109 CA ILE A 10 8.313 -3.289 -4.115 1.00 1.00 C ATOM 110 C ILE A 10 7.500 -4.411 -4.758 1.00 1.00 C ATOM 111 O ILE A 10 6.538 -4.187 -5.482 1.00 1.00 O ATOM 112 CB ILE A 10 9.556 -2.978 -4.960 1.00 1.00 C ATOM 113 CG1 ILE A 10 10.240 -1.718 -4.417 1.00 1.00 C ATOM 114 CG2 ILE A 10 9.132 -2.721 -6.406 1.00 1.00 C ATOM 115 CD1 ILE A 10 11.613 -1.550 -5.079 1.00 1.00 C ATOM 0 H ILE A 10 9.696 -3.782 -2.614 1.00 1.00 H new ATOM 0 HA ILE A 10 7.703 -2.387 -4.067 1.00 1.00 H new ATOM 0 HB ILE A 10 10.244 -3.823 -4.916 1.00 1.00 H new ATOM 0 HG12 ILE A 10 9.621 -0.843 -4.614 1.00 1.00 H new ATOM 0 HG13 ILE A 10 10.353 -1.791 -3.335 1.00 1.00 H new ATOM 0 HG21 ILE A 10 10.012 -2.500 -7.009 1.00 1.00 H new ATOM 0 HG22 ILE A 10 8.634 -3.606 -6.802 1.00 1.00 H new ATOM 0 HG23 ILE A 10 8.447 -1.874 -6.439 1.00 1.00 H new ATOM 0 HD11 ILE A 10 12.097 -0.654 -4.691 1.00 1.00 H new ATOM 0 HD12 ILE A 10 12.232 -2.420 -4.859 1.00 1.00 H new ATOM 0 HD13 ILE A 10 11.488 -1.457 -6.158 1.00 1.00 H new ATOM 127 N ASP A 11 7.930 -5.629 -4.554 1.00 1.00 N ATOM 128 CA ASP A 11 7.234 -6.748 -5.156 1.00 1.00 C ATOM 129 C ASP A 11 5.784 -6.807 -4.687 1.00 1.00 C ATOM 130 O ASP A 11 4.857 -6.947 -5.496 1.00 1.00 O ATOM 131 CB ASP A 11 7.941 -8.035 -4.774 1.00 1.00 C ATOM 132 CG ASP A 11 7.486 -9.182 -5.669 1.00 1.00 C ATOM 133 OD1 ASP A 11 6.410 -9.081 -6.235 1.00 1.00 O ATOM 134 OD2 ASP A 11 8.220 -10.150 -5.768 1.00 1.00 O ATOM 0 H ASP A 11 8.742 -5.874 -3.988 1.00 1.00 H new ATOM 0 HA ASP A 11 7.239 -6.621 -6.239 1.00 1.00 H new ATOM 0 HB2 ASP A 11 9.020 -7.904 -4.862 1.00 1.00 H new ATOM 0 HB3 ASP A 11 7.733 -8.275 -3.731 1.00 1.00 H new ATOM 139 N LEU A 12 5.592 -6.711 -3.381 1.00 1.00 N ATOM 140 CA LEU A 12 4.259 -6.778 -2.796 1.00 1.00 C ATOM 141 C LEU A 12 3.396 -5.621 -3.272 1.00 1.00 C ATOM 142 O LEU A 12 2.226 -5.802 -3.603 1.00 1.00 O ATOM 143 CB LEU A 12 4.382 -6.699 -1.271 1.00 1.00 C ATOM 144 CG LEU A 12 5.154 -7.908 -0.724 1.00 1.00 C ATOM 145 CD1 LEU A 12 5.602 -7.617 0.716 1.00 1.00 C ATOM 146 CD2 LEU A 12 4.285 -9.174 -0.758 1.00 1.00 C ATOM 0 H LEU A 12 6.344 -6.586 -2.703 1.00 1.00 H new ATOM 0 HA LEU A 12 3.793 -7.715 -3.102 1.00 1.00 H new ATOM 0 HB2 LEU A 12 4.893 -5.778 -0.990 1.00 1.00 H new ATOM 0 HB3 LEU A 12 3.389 -6.662 -0.823 1.00 1.00 H new ATOM 0 HG LEU A 12 6.028 -8.080 -1.353 1.00 1.00 H new ATOM 0 HD11 LEU A 12 6.150 -8.474 1.107 1.00 1.00 H new ATOM 0 HD12 LEU A 12 6.247 -6.738 0.726 1.00 1.00 H new ATOM 0 HD13 LEU A 12 4.727 -7.432 1.339 1.00 1.00 H new ATOM 0 HD21 LEU A 12 4.854 -10.017 -0.366 1.00 1.00 H new ATOM 0 HD22 LEU A 12 3.395 -9.021 -0.147 1.00 1.00 H new ATOM 0 HD23 LEU A 12 3.988 -9.384 -1.786 1.00 1.00 H new ATOM 158 N VAL A 13 3.973 -4.428 -3.299 1.00 1.00 N ATOM 159 CA VAL A 13 3.223 -3.258 -3.730 1.00 1.00 C ATOM 160 C VAL A 13 2.895 -3.351 -5.220 1.00 1.00 C ATOM 161 O VAL A 13 1.802 -2.985 -5.650 1.00 1.00 O ATOM 162 CB VAL A 13 4.019 -1.975 -3.420 1.00 1.00 C ATOM 163 CG1 VAL A 13 5.012 -1.670 -4.533 1.00 1.00 C ATOM 164 CG2 VAL A 13 3.080 -0.779 -3.260 1.00 1.00 C ATOM 0 H VAL A 13 4.941 -4.246 -3.033 1.00 1.00 H new ATOM 0 HA VAL A 13 2.282 -3.221 -3.180 1.00 1.00 H new ATOM 0 HB VAL A 13 4.558 -2.144 -2.488 1.00 1.00 H new ATOM 0 HG11 VAL A 13 5.561 -0.760 -4.291 1.00 1.00 H new ATOM 0 HG12 VAL A 13 5.711 -2.500 -4.634 1.00 1.00 H new ATOM 0 HG13 VAL A 13 4.475 -1.531 -5.471 1.00 1.00 H new ATOM 0 HG21 VAL A 13 3.664 0.115 -3.042 1.00 1.00 H new ATOM 0 HG22 VAL A 13 2.520 -0.630 -4.183 1.00 1.00 H new ATOM 0 HG23 VAL A 13 2.386 -0.968 -2.441 1.00 1.00 H new ATOM 174 N THR A 14 3.853 -3.840 -6.003 1.00 1.00 N ATOM 175 CA THR A 14 3.645 -3.958 -7.436 1.00 1.00 C ATOM 176 C THR A 14 2.409 -4.800 -7.699 1.00 1.00 C ATOM 177 O THR A 14 1.498 -4.406 -8.438 1.00 1.00 O ATOM 178 CB THR A 14 4.880 -4.610 -8.073 1.00 1.00 C ATOM 179 OG1 THR A 14 6.000 -3.738 -7.952 1.00 1.00 O ATOM 180 CG2 THR A 14 4.610 -4.909 -9.544 1.00 1.00 C ATOM 0 H THR A 14 4.765 -4.155 -5.673 1.00 1.00 H new ATOM 0 HA THR A 14 3.498 -2.971 -7.874 1.00 1.00 H new ATOM 0 HB THR A 14 5.097 -5.545 -7.556 1.00 1.00 H new ATOM 0 HG1 THR A 14 6.181 -3.567 -7.004 1.00 1.00 H new ATOM 0 HG21 THR A 14 5.491 -5.371 -9.989 1.00 1.00 H new ATOM 0 HG22 THR A 14 3.762 -5.589 -9.627 1.00 1.00 H new ATOM 0 HG23 THR A 14 4.384 -3.981 -10.068 1.00 1.00 H new ATOM 188 N LYS A 15 2.366 -5.949 -7.076 1.00 1.00 N ATOM 189 CA LYS A 15 1.219 -6.808 -7.250 1.00 1.00 C ATOM 190 C LYS A 15 -0.025 -6.089 -6.754 1.00 1.00 C ATOM 191 O LYS A 15 -1.080 -6.156 -7.369 1.00 1.00 O ATOM 192 CB LYS A 15 1.419 -8.117 -6.495 1.00 1.00 C ATOM 193 CG LYS A 15 0.295 -9.131 -6.842 1.00 1.00 C ATOM 194 CD LYS A 15 0.897 -10.530 -7.043 1.00 1.00 C ATOM 195 CE LYS A 15 1.677 -10.950 -5.790 1.00 1.00 C ATOM 196 NZ LYS A 15 1.638 -12.430 -5.675 1.00 1.00 N ATOM 0 H LYS A 15 3.093 -6.308 -6.457 1.00 1.00 H new ATOM 0 HA LYS A 15 1.098 -7.043 -8.308 1.00 1.00 H new ATOM 0 HB2 LYS A 15 2.390 -8.543 -6.748 1.00 1.00 H new ATOM 0 HB3 LYS A 15 1.424 -7.926 -5.422 1.00 1.00 H new ATOM 0 HG2 LYS A 15 -0.445 -9.155 -6.042 1.00 1.00 H new ATOM 0 HG3 LYS A 15 -0.225 -8.816 -7.747 1.00 1.00 H new ATOM 0 HD2 LYS A 15 0.105 -11.250 -7.247 1.00 1.00 H new ATOM 0 HD3 LYS A 15 1.558 -10.530 -7.910 1.00 1.00 H new ATOM 0 HE2 LYS A 15 2.709 -10.604 -5.854 1.00 1.00 H new ATOM 0 HE3 LYS A 15 1.241 -10.491 -4.903 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 2.164 -12.726 -4.828 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 0.650 -12.746 -5.597 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 2.072 -12.855 -6.519 1.00 1.00 H new ATOM 210 N ALA A 16 0.100 -5.384 -5.646 1.00 1.00 N ATOM 211 CA ALA A 16 -1.040 -4.667 -5.103 1.00 1.00 C ATOM 212 C ALA A 16 -1.676 -3.784 -6.165 1.00 1.00 C ATOM 213 O ALA A 16 -2.902 -3.709 -6.272 1.00 1.00 O ATOM 214 CB ALA A 16 -0.582 -3.794 -3.936 1.00 1.00 C ATOM 0 H ALA A 16 0.964 -5.292 -5.111 1.00 1.00 H new ATOM 0 HA ALA A 16 -1.777 -5.395 -4.762 1.00 1.00 H new ATOM 0 HB1 ALA A 16 -1.437 -3.255 -3.527 1.00 1.00 H new ATOM 0 HB2 ALA A 16 -0.145 -4.423 -3.160 1.00 1.00 H new ATOM 0 HB3 ALA A 16 0.163 -3.080 -4.286 1.00 1.00 H new ATOM 220 N THR A 17 -0.845 -3.113 -6.945 1.00 1.00 N ATOM 221 CA THR A 17 -1.350 -2.232 -7.982 1.00 1.00 C ATOM 222 C THR A 17 -2.061 -3.031 -9.065 1.00 1.00 C ATOM 223 O THR A 17 -3.108 -2.622 -9.566 1.00 1.00 O ATOM 224 CB THR A 17 -0.198 -1.427 -8.607 1.00 1.00 C ATOM 225 OG1 THR A 17 0.770 -2.322 -9.127 1.00 1.00 O ATOM 226 CG2 THR A 17 0.465 -0.535 -7.552 1.00 1.00 C ATOM 0 H THR A 17 0.172 -3.161 -6.881 1.00 1.00 H new ATOM 0 HA THR A 17 -2.062 -1.544 -7.526 1.00 1.00 H new ATOM 0 HB THR A 17 -0.599 -0.800 -9.403 1.00 1.00 H new ATOM 0 HG1 THR A 17 0.800 -3.130 -8.573 1.00 1.00 H new ATOM 0 HG21 THR A 17 1.278 0.028 -8.010 1.00 1.00 H new ATOM 0 HG22 THR A 17 -0.272 0.158 -7.146 1.00 1.00 H new ATOM 0 HG23 THR A 17 0.861 -1.155 -6.748 1.00 1.00 H new ATOM 234 N GLU A 18 -1.501 -4.180 -9.419 1.00 1.00 N ATOM 235 CA GLU A 18 -2.120 -5.007 -10.440 1.00 1.00 C ATOM 236 C GLU A 18 -3.503 -5.469 -9.973 1.00 1.00 C ATOM 237 O GLU A 18 -4.463 -5.510 -10.740 1.00 1.00 O ATOM 238 CB GLU A 18 -1.191 -6.212 -10.780 1.00 1.00 C ATOM 239 CG GLU A 18 -1.688 -7.519 -10.130 1.00 1.00 C ATOM 240 CD GLU A 18 -0.712 -8.668 -10.390 1.00 1.00 C ATOM 241 OE1 GLU A 18 0.217 -8.477 -11.170 1.00 1.00 O ATOM 242 OE2 GLU A 18 -0.907 -9.725 -9.820 1.00 1.00 O ATOM 0 H GLU A 18 -0.638 -4.553 -9.023 1.00 1.00 H new ATOM 0 HA GLU A 18 -2.257 -4.424 -11.351 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -1.142 -6.340 -11.861 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -0.178 -5.998 -10.438 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -1.805 -7.373 -9.056 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -2.671 -7.775 -10.526 1.00 1.00 H new ATOM 249 N GLU A 19 -3.582 -5.836 -8.703 1.00 1.00 N ATOM 250 CA GLU A 19 -4.832 -6.313 -8.137 1.00 1.00 C ATOM 251 C GLU A 19 -5.858 -5.195 -8.118 1.00 1.00 C ATOM 252 O GLU A 19 -7.030 -5.398 -8.439 1.00 1.00 O ATOM 253 CB GLU A 19 -4.596 -6.843 -6.716 1.00 1.00 C ATOM 254 CG GLU A 19 -3.842 -8.183 -6.755 1.00 1.00 C ATOM 255 CD GLU A 19 -4.696 -9.261 -7.419 1.00 1.00 C ATOM 256 OE1 GLU A 19 -5.904 -9.094 -7.451 1.00 1.00 O ATOM 257 OE2 GLU A 19 -4.130 -10.230 -7.885 1.00 1.00 O ATOM 0 H GLU A 19 -2.800 -5.813 -8.049 1.00 1.00 H new ATOM 0 HA GLU A 19 -5.213 -7.125 -8.756 1.00 1.00 H new ATOM 0 HB2 GLU A 19 -4.024 -6.115 -6.141 1.00 1.00 H new ATOM 0 HB3 GLU A 19 -5.551 -6.972 -6.207 1.00 1.00 H new ATOM 0 HG2 GLU A 19 -2.907 -8.064 -7.302 1.00 1.00 H new ATOM 0 HG3 GLU A 19 -3.582 -8.490 -5.742 1.00 1.00 H new ATOM 264 N ASP A 20 -5.412 -4.010 -7.754 1.00 1.00 N ATOM 265 CA ASP A 20 -6.302 -2.870 -7.707 1.00 1.00 C ATOM 266 C ASP A 20 -6.913 -2.640 -9.082 1.00 1.00 C ATOM 267 O ASP A 20 -8.105 -2.363 -9.205 1.00 1.00 O ATOM 268 CB ASP A 20 -5.530 -1.627 -7.259 1.00 1.00 C ATOM 269 CG ASP A 20 -6.501 -0.540 -6.808 1.00 1.00 C ATOM 270 OD1 ASP A 20 -7.413 -0.238 -7.559 1.00 1.00 O ATOM 271 OD2 ASP A 20 -6.322 -0.031 -5.713 1.00 1.00 O ATOM 0 H ASP A 20 -4.447 -3.813 -7.489 1.00 1.00 H new ATOM 0 HA ASP A 20 -7.101 -3.065 -6.992 1.00 1.00 H new ATOM 0 HB2 ASP A 20 -4.855 -1.884 -6.443 1.00 1.00 H new ATOM 0 HB3 ASP A 20 -4.914 -1.257 -8.078 1.00 1.00 H new ATOM 276 N LYS A 21 -6.092 -2.771 -10.110 1.00 1.00 N ATOM 277 CA LYS A 21 -6.573 -2.592 -11.470 1.00 1.00 C ATOM 278 C LYS A 21 -7.560 -3.696 -11.820 1.00 1.00 C ATOM 279 O LYS A 21 -8.565 -3.457 -12.490 1.00 1.00 O ATOM 280 CB LYS A 21 -5.404 -2.612 -12.460 1.00 1.00 C ATOM 281 CG LYS A 21 -4.517 -1.382 -12.220 1.00 1.00 C ATOM 282 CD LYS A 21 -3.273 -1.426 -13.150 1.00 1.00 C ATOM 283 CE LYS A 21 -1.997 -1.179 -12.340 1.00 1.00 C ATOM 284 NZ LYS A 21 -0.861 -0.937 -13.270 1.00 1.00 N ATOM 0 H LYS A 21 -5.101 -2.998 -10.032 1.00 1.00 H new ATOM 0 HA LYS A 21 -7.072 -1.625 -11.537 1.00 1.00 H new ATOM 0 HB2 LYS A 21 -4.822 -3.525 -12.335 1.00 1.00 H new ATOM 0 HB3 LYS A 21 -5.779 -2.611 -13.484 1.00 1.00 H new ATOM 0 HG2 LYS A 21 -5.087 -0.472 -12.406 1.00 1.00 H new ATOM 0 HG3 LYS A 21 -4.200 -1.352 -11.178 1.00 1.00 H new ATOM 0 HD2 LYS A 21 -3.215 -2.395 -13.646 1.00 1.00 H new ATOM 0 HD3 LYS A 21 -3.368 -0.672 -13.932 1.00 1.00 H new ATOM 0 HE2 LYS A 21 -2.131 -0.321 -11.681 1.00 1.00 H new ATOM 0 HE3 LYS A 21 -1.784 -2.039 -11.704 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 0.007 -0.769 -12.722 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 -0.729 -1.768 -13.881 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 -1.065 -0.104 -13.858 1.00 1.00 H new ATOM 298 N ALA A 22 -7.259 -4.907 -11.360 1.00 1.00 N ATOM 299 CA ALA A 22 -8.119 -6.050 -11.620 1.00 1.00 C ATOM 300 C ALA A 22 -9.379 -5.969 -10.780 1.00 1.00 C ATOM 301 O ALA A 22 -10.150 -6.924 -10.710 1.00 1.00 O ATOM 302 CB ALA A 22 -7.385 -7.357 -11.330 1.00 1.00 C ATOM 0 H ALA A 22 -6.428 -5.119 -10.807 1.00 1.00 H new ATOM 0 HA ALA A 22 -8.395 -6.031 -12.674 1.00 1.00 H new ATOM 0 HB1 ALA A 22 -8.048 -8.199 -11.531 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -6.504 -7.428 -11.967 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -7.079 -7.378 -10.284 1.00 1.00 H new ATOM 308 N LYS A 23 -9.586 -4.811 -10.170 1.00 1.00 N ATOM 309 CA LYS A 23 -10.760 -4.590 -9.364 1.00 1.00 C ATOM 310 C LYS A 23 -10.740 -5.485 -8.132 1.00 1.00 C ATOM 311 O LYS A 23 -11.790 -5.871 -7.610 1.00 1.00 O ATOM 312 CB LYS A 23 -12.030 -4.865 -10.190 1.00 1.00 C ATOM 313 CG LYS A 23 -11.880 -4.357 -11.640 1.00 1.00 C ATOM 314 CD LYS A 23 -11.490 -2.882 -11.640 1.00 1.00 C ATOM 315 CE LYS A 23 -12.560 -2.061 -10.930 1.00 1.00 C ATOM 316 NZ LYS A 23 -12.510 -0.658 -11.420 1.00 1.00 N ATOM 0 H LYS A 23 -8.951 -4.014 -10.223 1.00 1.00 H new ATOM 0 HA LYS A 23 -10.763 -3.549 -9.040 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -12.236 -5.935 -10.197 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -12.884 -4.379 -9.719 1.00 1.00 H new ATOM 0 HG2 LYS A 23 -11.123 -4.942 -12.162 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -12.817 -4.494 -12.180 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -10.529 -2.751 -11.142 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -11.369 -2.529 -12.664 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -13.545 -2.488 -11.116 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -12.399 -2.088 -9.852 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -13.239 -0.095 -10.937 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -11.573 -0.254 -11.221 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -12.683 -0.642 -12.445 1.00 1.00 H new ATOM 330 N ASN A 24 -9.545 -5.807 -7.666 1.00 1.00 N ATOM 331 CA ASN A 24 -9.384 -6.652 -6.487 1.00 1.00 C ATOM 332 C ASN A 24 -9.012 -5.794 -5.274 1.00 1.00 C ATOM 333 O ASN A 24 -7.881 -5.820 -4.792 1.00 1.00 O ATOM 334 CB ASN A 24 -8.300 -7.717 -6.763 1.00 1.00 C ATOM 335 CG ASN A 24 -8.924 -9.091 -7.001 1.00 1.00 C ATOM 336 OD1 ASN A 24 -10.030 -9.198 -7.524 1.00 1.00 O ATOM 337 ND2 ASN A 24 -8.255 -10.150 -6.637 1.00 1.00 N ATOM 0 H ASN A 24 -8.668 -5.497 -8.085 1.00 1.00 H new ATOM 0 HA ASN A 24 -10.324 -7.158 -6.268 1.00 1.00 H new ATOM 0 HB2 ASN A 24 -7.713 -7.425 -7.634 1.00 1.00 H new ATOM 0 HB3 ASN A 24 -7.613 -7.768 -5.918 1.00 1.00 H new ATOM 0 HD21 ASN A 24 -8.650 -11.079 -6.786 1.00 1.00 H new ATOM 0 HD22 ASN A 24 -7.337 -10.049 -6.204 1.00 1.00 H new ATOM 344 N TYR A 25 -9.974 -5.025 -4.792 1.00 1.00 N ATOM 345 CA TYR A 25 -9.734 -4.163 -3.647 1.00 1.00 C ATOM 346 C TYR A 25 -9.269 -4.979 -2.453 1.00 1.00 C ATOM 347 O TYR A 25 -8.337 -4.590 -1.778 1.00 1.00 O ATOM 348 CB TYR A 25 -11.010 -3.426 -3.274 1.00 1.00 C ATOM 349 CG TYR A 25 -11.720 -2.957 -4.529 1.00 1.00 C ATOM 350 CD1 TYR A 25 -10.990 -2.403 -5.593 1.00 1.00 C ATOM 351 CD2 TYR A 25 -13.110 -3.083 -4.627 1.00 1.00 C ATOM 352 CE1 TYR A 25 -11.650 -1.979 -6.748 1.00 1.00 C ATOM 353 CE2 TYR A 25 -13.770 -2.659 -5.784 1.00 1.00 C ATOM 354 CZ TYR A 25 -13.040 -2.108 -6.843 1.00 1.00 C ATOM 355 OH TYR A 25 -13.700 -1.688 -7.983 1.00 1.00 O ATOM 0 H TYR A 25 -10.920 -4.980 -5.171 1.00 1.00 H new ATOM 0 HA TYR A 25 -8.958 -3.446 -3.917 1.00 1.00 H new ATOM 0 HB2 TYR A 25 -11.664 -4.081 -2.699 1.00 1.00 H new ATOM 0 HB3 TYR A 25 -10.775 -2.573 -2.638 1.00 1.00 H new ATOM 0 HD1 TYR A 25 -9.917 -2.305 -5.518 1.00 1.00 H new ATOM 0 HD2 TYR A 25 -13.673 -3.508 -3.809 1.00 1.00 H new ATOM 0 HE1 TYR A 25 -11.089 -1.552 -7.566 1.00 1.00 H new ATOM 0 HE2 TYR A 25 -14.843 -2.757 -5.861 1.00 1.00 H new ATOM 0 HH TYR A 25 -14.661 -1.851 -7.883 1.00 1.00 H new ATOM 365 N GLU A 26 -9.908 -6.112 -2.206 1.00 1.00 N ATOM 366 CA GLU A 26 -9.521 -6.945 -1.071 1.00 1.00 C ATOM 367 C GLU A 26 -8.068 -7.419 -1.170 1.00 1.00 C ATOM 368 O GLU A 26 -7.274 -7.240 -0.237 1.00 1.00 O ATOM 369 CB GLU A 26 -10.450 -8.164 -1.010 1.00 1.00 C ATOM 370 CG GLU A 26 -11.760 -7.783 -0.339 1.00 1.00 C ATOM 371 CD GLU A 26 -12.720 -8.969 -0.367 1.00 1.00 C ATOM 372 OE1 GLU A 26 -12.300 -10.040 -0.765 1.00 1.00 O ATOM 373 OE2 GLU A 26 -13.870 -8.785 0.004 1.00 1.00 O ATOM 0 H GLU A 26 -10.683 -6.474 -2.762 1.00 1.00 H new ATOM 0 HA GLU A 26 -9.609 -6.343 -0.166 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -10.642 -8.537 -2.016 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -9.969 -8.971 -0.457 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -11.576 -7.477 0.691 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -12.206 -6.930 -0.850 1.00 1.00 H new ATOM 380 N GLU A 27 -7.720 -8.025 -2.293 1.00 1.00 N ATOM 381 CA GLU A 27 -6.366 -8.529 -2.468 1.00 1.00 C ATOM 382 C GLU A 27 -5.369 -7.376 -2.484 1.00 1.00 C ATOM 383 O GLU A 27 -4.319 -7.428 -1.840 1.00 1.00 O ATOM 384 CB GLU A 27 -6.268 -9.320 -3.783 1.00 1.00 C ATOM 385 CG GLU A 27 -5.144 -10.340 -3.701 1.00 1.00 C ATOM 386 CD GLU A 27 -5.557 -11.500 -2.792 1.00 1.00 C ATOM 387 OE1 GLU A 27 -6.703 -11.510 -2.371 1.00 1.00 O ATOM 388 OE2 GLU A 27 -4.724 -12.350 -2.532 1.00 1.00 O ATOM 0 H GLU A 27 -8.343 -8.179 -3.086 1.00 1.00 H new ATOM 0 HA GLU A 27 -6.128 -9.188 -1.633 1.00 1.00 H new ATOM 0 HB2 GLU A 27 -7.213 -9.825 -3.983 1.00 1.00 H new ATOM 0 HB3 GLU A 27 -6.089 -8.637 -4.614 1.00 1.00 H new ATOM 0 HG2 GLU A 27 -4.907 -10.714 -4.697 1.00 1.00 H new ATOM 0 HG3 GLU A 27 -4.241 -9.868 -3.315 1.00 1.00 H new ATOM 395 N ALA A 28 -5.713 -6.329 -3.221 1.00 1.00 N ATOM 396 CA ALA A 28 -4.848 -5.168 -3.319 1.00 1.00 C ATOM 397 C ALA A 28 -4.595 -4.564 -1.947 1.00 1.00 C ATOM 398 O ALA A 28 -3.470 -4.176 -1.632 1.00 1.00 O ATOM 399 CB ALA A 28 -5.485 -4.114 -4.230 1.00 1.00 C ATOM 0 H ALA A 28 -6.579 -6.262 -3.755 1.00 1.00 H new ATOM 0 HA ALA A 28 -3.896 -5.489 -3.742 1.00 1.00 H new ATOM 0 HB1 ALA A 28 -4.828 -3.247 -4.297 1.00 1.00 H new ATOM 0 HB2 ALA A 28 -5.634 -4.535 -5.225 1.00 1.00 H new ATOM 0 HB3 ALA A 28 -6.447 -3.810 -3.817 1.00 1.00 H new ATOM 405 N LEU A 29 -5.639 -4.475 -1.131 1.00 1.00 N ATOM 406 CA LEU A 29 -5.512 -3.883 0.202 1.00 1.00 C ATOM 407 C LEU A 29 -4.536 -4.674 1.058 1.00 1.00 C ATOM 408 O LEU A 29 -3.682 -4.101 1.740 1.00 1.00 O ATOM 409 CB LEU A 29 -6.906 -3.878 0.863 1.00 1.00 C ATOM 410 CG LEU A 29 -7.127 -2.620 1.710 1.00 1.00 C ATOM 411 CD1 LEU A 29 -8.620 -2.418 1.992 1.00 1.00 C ATOM 412 CD2 LEU A 29 -6.372 -2.709 3.033 1.00 1.00 C ATOM 0 H LEU A 29 -6.577 -4.801 -1.363 1.00 1.00 H new ATOM 0 HA LEU A 29 -5.128 -2.867 0.113 1.00 1.00 H new ATOM 0 HB2 LEU A 29 -7.674 -3.937 0.092 1.00 1.00 H new ATOM 0 HB3 LEU A 29 -7.015 -4.763 1.490 1.00 1.00 H new ATOM 0 HG LEU A 29 -6.746 -1.770 1.143 1.00 1.00 H new ATOM 0 HD11 LEU A 29 -8.758 -1.520 2.595 1.00 1.00 H new ATOM 0 HD12 LEU A 29 -9.157 -2.309 1.050 1.00 1.00 H new ATOM 0 HD13 LEU A 29 -9.008 -3.281 2.533 1.00 1.00 H new ATOM 0 HD21 LEU A 29 -6.547 -1.803 3.613 1.00 1.00 H new ATOM 0 HD22 LEU A 29 -6.724 -3.574 3.595 1.00 1.00 H new ATOM 0 HD23 LEU A 29 -5.305 -2.814 2.837 1.00 1.00 H new ATOM 424 N ARG A 30 -4.659 -5.991 1.023 1.00 1.00 N ATOM 425 CA ARG A 30 -3.764 -6.817 1.815 1.00 1.00 C ATOM 426 C ARG A 30 -2.317 -6.595 1.383 1.00 1.00 C ATOM 427 O ARG A 30 -1.413 -6.469 2.215 1.00 1.00 O ATOM 428 CB ARG A 30 -4.133 -8.289 1.645 1.00 1.00 C ATOM 429 CG ARG A 30 -5.489 -8.552 2.304 1.00 1.00 C ATOM 430 CD ARG A 30 -5.898 -10.000 2.067 1.00 1.00 C ATOM 431 NE ARG A 30 -4.957 -10.900 2.732 1.00 1.00 N ATOM 432 CZ ARG A 30 -5.114 -11.250 4.008 1.00 1.00 C ATOM 433 NH1 ARG A 30 -6.123 -10.780 4.693 1.00 1.00 N ATOM 434 NH2 ARG A 30 -4.257 -12.050 4.576 1.00 1.00 N ATOM 0 H ARG A 30 -5.350 -6.500 0.471 1.00 1.00 H new ATOM 0 HA ARG A 30 -3.865 -6.538 2.864 1.00 1.00 H new ATOM 0 HB2 ARG A 30 -4.175 -8.545 0.586 1.00 1.00 H new ATOM 0 HB3 ARG A 30 -3.368 -8.922 2.096 1.00 1.00 H new ATOM 0 HG2 ARG A 30 -5.431 -8.350 3.374 1.00 1.00 H new ATOM 0 HG3 ARG A 30 -6.241 -7.879 1.893 1.00 1.00 H new ATOM 0 HD2 ARG A 30 -6.906 -10.169 2.447 1.00 1.00 H new ATOM 0 HD3 ARG A 30 -5.921 -10.210 0.998 1.00 1.00 H new ATOM 0 HE ARG A 30 -4.163 -11.268 2.208 1.00 1.00 H new ATOM 0 HH11 ARG A 30 -6.789 -10.146 4.251 1.00 1.00 H new ATOM 0 HH12 ARG A 30 -6.245 -11.047 5.670 1.00 1.00 H new ATOM 0 HH21 ARG A 30 -3.464 -12.409 4.044 1.00 1.00 H new ATOM 0 HH22 ARG A 30 -4.378 -12.317 5.553 1.00 1.00 H new ATOM 448 N LEU A 31 -2.103 -6.547 0.074 1.00 1.00 N ATOM 449 CA LEU A 31 -0.764 -6.344 -0.460 1.00 1.00 C ATOM 450 C LEU A 31 -0.238 -4.962 -0.088 1.00 1.00 C ATOM 451 O LEU A 31 0.940 -4.804 0.229 1.00 1.00 O ATOM 452 CB LEU A 31 -0.783 -6.498 -1.981 1.00 1.00 C ATOM 453 CG LEU A 31 -1.231 -7.918 -2.340 1.00 1.00 C ATOM 454 CD1 LEU A 31 -1.580 -7.977 -3.824 1.00 1.00 C ATOM 455 CD2 LEU A 31 -0.125 -8.941 -2.031 1.00 1.00 C ATOM 0 H LEU A 31 -2.833 -6.645 -0.631 1.00 1.00 H new ATOM 0 HA LEU A 31 -0.102 -7.094 -0.027 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -1.460 -5.768 -2.424 1.00 1.00 H new ATOM 0 HB3 LEU A 31 0.208 -6.303 -2.390 1.00 1.00 H new ATOM 0 HG LEU A 31 -2.106 -8.167 -1.739 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -1.899 -8.987 -4.083 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -2.387 -7.276 -4.036 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -0.703 -7.711 -4.415 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -0.470 -9.941 -2.295 1.00 1.00 H new ATOM 0 HD22 LEU A 31 0.766 -8.700 -2.610 1.00 1.00 H new ATOM 0 HD23 LEU A 31 0.114 -8.909 -0.968 1.00 1.00 H new ATOM 467 N TYR A 32 -1.112 -3.961 -0.143 1.00 1.00 N ATOM 468 CA TYR A 32 -0.707 -2.594 0.177 1.00 1.00 C ATOM 469 C TYR A 32 -0.183 -2.508 1.612 1.00 1.00 C ATOM 470 O TYR A 32 0.867 -1.914 1.871 1.00 1.00 O ATOM 471 CB TYR A 32 -1.902 -1.630 0.007 1.00 1.00 C ATOM 472 CG TYR A 32 -2.025 -1.168 -1.435 1.00 1.00 C ATOM 473 CD1 TYR A 32 -0.967 -0.481 -2.046 1.00 1.00 C ATOM 474 CD2 TYR A 32 -3.195 -1.431 -2.164 1.00 1.00 C ATOM 475 CE1 TYR A 32 -1.081 -0.064 -3.377 1.00 1.00 C ATOM 476 CE2 TYR A 32 -3.300 -1.015 -3.493 1.00 1.00 C ATOM 477 CZ TYR A 32 -2.244 -0.334 -4.094 1.00 1.00 C ATOM 478 OH TYR A 32 -2.347 0.059 -5.403 1.00 1.00 O ATOM 0 H TYR A 32 -2.093 -4.067 -0.402 1.00 1.00 H new ATOM 0 HA TYR A 32 0.090 -2.307 -0.508 1.00 1.00 H new ATOM 0 HB2 TYR A 32 -2.822 -2.128 0.313 1.00 1.00 H new ATOM 0 HB3 TYR A 32 -1.774 -0.767 0.660 1.00 1.00 H new ATOM 0 HD1 TYR A 32 -0.065 -0.274 -1.490 1.00 1.00 H new ATOM 0 HD2 TYR A 32 -4.015 -1.956 -1.697 1.00 1.00 H new ATOM 0 HE1 TYR A 32 -0.267 0.467 -3.848 1.00 1.00 H new ATOM 0 HE2 TYR A 32 -4.199 -1.221 -4.054 1.00 1.00 H new ATOM 0 HH TYR A 32 -3.221 -0.207 -5.757 1.00 1.00 H new ATOM 488 N GLN A 33 -0.921 -3.098 2.539 1.00 1.00 N ATOM 489 CA GLN A 33 -0.521 -3.068 3.935 1.00 1.00 C ATOM 490 C GLN A 33 0.801 -3.798 4.135 1.00 1.00 C ATOM 491 O GLN A 33 1.681 -3.331 4.865 1.00 1.00 O ATOM 492 CB GLN A 33 -1.606 -3.723 4.794 1.00 1.00 C ATOM 493 CG GLN A 33 -2.856 -2.842 4.800 1.00 1.00 C ATOM 494 CD GLN A 33 -3.973 -3.529 5.581 1.00 1.00 C ATOM 495 OE1 GLN A 33 -3.769 -4.605 6.143 1.00 1.00 O ATOM 496 NE2 GLN A 33 -5.149 -2.968 5.650 1.00 1.00 N ATOM 0 H GLN A 33 -1.790 -3.598 2.353 1.00 1.00 H new ATOM 0 HA GLN A 33 -0.391 -2.029 4.236 1.00 1.00 H new ATOM 0 HB2 GLN A 33 -1.847 -4.711 4.402 1.00 1.00 H new ATOM 0 HB3 GLN A 33 -1.243 -3.863 5.812 1.00 1.00 H new ATOM 0 HG2 GLN A 33 -2.628 -1.875 5.249 1.00 1.00 H new ATOM 0 HG3 GLN A 33 -3.181 -2.650 3.777 1.00 1.00 H new ATOM 0 HE21 GLN A 33 -5.317 -2.076 5.184 1.00 1.00 H new ATOM 0 HE22 GLN A 33 -5.900 -3.421 6.170 1.00 1.00 H new ATOM 505 N HIS A 34 0.943 -4.939 3.479 1.00 1.00 N ATOM 506 CA HIS A 34 2.172 -5.719 3.605 1.00 1.00 C ATOM 507 C HIS A 34 3.364 -4.939 3.036 1.00 1.00 C ATOM 508 O HIS A 34 4.395 -4.778 3.699 1.00 1.00 O ATOM 509 CB HIS A 34 2.004 -7.059 2.858 1.00 1.00 C ATOM 510 CG HIS A 34 1.440 -8.098 3.785 1.00 1.00 C ATOM 511 ND1 HIS A 34 0.160 -8.607 3.641 1.00 1.00 N ATOM 512 CD2 HIS A 34 1.974 -8.725 4.877 1.00 1.00 C ATOM 513 CE1 HIS A 34 -0.032 -9.502 4.626 1.00 1.00 C ATOM 514 NE2 HIS A 34 1.044 -9.611 5.409 1.00 1.00 N ATOM 0 H HIS A 34 0.238 -5.344 2.863 1.00 1.00 H new ATOM 0 HA HIS A 34 2.366 -5.914 4.660 1.00 1.00 H new ATOM 0 HB2 HIS A 34 1.343 -6.927 2.002 1.00 1.00 H new ATOM 0 HB3 HIS A 34 2.967 -7.391 2.469 1.00 1.00 H new ATOM 0 HD1 HIS A 34 -0.514 -8.350 2.920 1.00 1.00 H new ATOM 0 HD2 HIS A 34 2.967 -8.557 5.267 1.00 1.00 H new ATOM 0 HE1 HIS A 34 -0.944 -10.063 4.766 1.00 1.00 H new ATOM 523 N ALA A 35 3.205 -4.448 1.817 1.00 1.00 N ATOM 524 CA ALA A 35 4.264 -3.690 1.168 1.00 1.00 C ATOM 525 C ALA A 35 4.755 -2.575 2.086 1.00 1.00 C ATOM 526 O ALA A 35 5.960 -2.401 2.285 1.00 1.00 O ATOM 527 CB ALA A 35 3.735 -3.078 -0.141 1.00 1.00 C ATOM 0 H ALA A 35 2.358 -4.560 1.259 1.00 1.00 H new ATOM 0 HA ALA A 35 5.094 -4.362 0.950 1.00 1.00 H new ATOM 0 HB1 ALA A 35 4.530 -2.511 -0.625 1.00 1.00 H new ATOM 0 HB2 ALA A 35 3.401 -3.874 -0.806 1.00 1.00 H new ATOM 0 HB3 ALA A 35 2.899 -2.415 0.079 1.00 1.00 H new ATOM 533 N VAL A 36 3.812 -1.826 2.639 1.00 1.00 N ATOM 534 CA VAL A 36 4.157 -0.720 3.522 1.00 1.00 C ATOM 535 C VAL A 36 4.977 -1.218 4.705 1.00 1.00 C ATOM 536 O VAL A 36 5.958 -0.589 5.096 1.00 1.00 O ATOM 537 CB VAL A 36 2.882 -0.008 4.022 1.00 1.00 C ATOM 538 CG1 VAL A 36 3.245 0.930 5.188 1.00 1.00 C ATOM 539 CG2 VAL A 36 2.242 0.804 2.866 1.00 1.00 C ATOM 0 H VAL A 36 2.811 -1.961 2.494 1.00 1.00 H new ATOM 0 HA VAL A 36 4.756 -0.006 2.957 1.00 1.00 H new ATOM 0 HB VAL A 36 2.163 -0.751 4.367 1.00 1.00 H new ATOM 0 HG11 VAL A 36 2.346 1.434 5.543 1.00 1.00 H new ATOM 0 HG12 VAL A 36 3.680 0.348 6.001 1.00 1.00 H new ATOM 0 HG13 VAL A 36 3.966 1.672 4.847 1.00 1.00 H new ATOM 0 HG21 VAL A 36 1.343 1.304 3.227 1.00 1.00 H new ATOM 0 HG22 VAL A 36 2.952 1.549 2.508 1.00 1.00 H new ATOM 0 HG23 VAL A 36 1.980 0.131 2.050 1.00 1.00 H new ATOM 549 N GLU A 37 4.566 -2.335 5.273 1.00 1.00 N ATOM 550 CA GLU A 37 5.276 -2.886 6.419 1.00 1.00 C ATOM 551 C GLU A 37 6.753 -3.091 6.089 1.00 1.00 C ATOM 552 O GLU A 37 7.634 -2.672 6.842 1.00 1.00 O ATOM 553 CB GLU A 37 4.663 -4.233 6.793 1.00 1.00 C ATOM 554 CG GLU A 37 5.083 -4.613 8.215 1.00 1.00 C ATOM 555 CD GLU A 37 4.393 -5.906 8.636 1.00 1.00 C ATOM 556 OE1 GLU A 37 3.814 -6.552 7.779 1.00 1.00 O ATOM 557 OE2 GLU A 37 4.458 -6.233 9.809 1.00 1.00 O ATOM 0 H GLU A 37 3.756 -2.875 4.968 1.00 1.00 H new ATOM 0 HA GLU A 37 5.190 -2.186 7.250 1.00 1.00 H new ATOM 0 HB2 GLU A 37 3.576 -4.180 6.726 1.00 1.00 H new ATOM 0 HB3 GLU A 37 4.989 -5.000 6.090 1.00 1.00 H new ATOM 0 HG2 GLU A 37 6.165 -4.737 8.262 1.00 1.00 H new ATOM 0 HG3 GLU A 37 4.823 -3.811 8.906 1.00 1.00 H new ATOM 564 N TYR A 38 7.015 -3.739 4.961 1.00 1.00 N ATOM 565 CA TYR A 38 8.392 -3.997 4.555 1.00 1.00 C ATOM 566 C TYR A 38 9.136 -2.689 4.304 1.00 1.00 C ATOM 567 O TYR A 38 10.317 -2.566 4.622 1.00 1.00 O ATOM 568 CB TYR A 38 8.435 -4.871 3.288 1.00 1.00 C ATOM 569 CG TYR A 38 8.225 -6.318 3.655 1.00 1.00 C ATOM 570 CD1 TYR A 38 9.322 -7.099 4.030 1.00 1.00 C ATOM 571 CD2 TYR A 38 6.945 -6.874 3.624 1.00 1.00 C ATOM 572 CE1 TYR A 38 9.137 -8.438 4.381 1.00 1.00 C ATOM 573 CE2 TYR A 38 6.758 -8.214 3.973 1.00 1.00 C ATOM 574 CZ TYR A 38 7.854 -8.998 4.353 1.00 1.00 C ATOM 575 OH TYR A 38 7.669 -10.320 4.698 1.00 1.00 O ATOM 0 H TYR A 38 6.305 -4.091 4.319 1.00 1.00 H new ATOM 0 HA TYR A 38 8.883 -4.532 5.368 1.00 1.00 H new ATOM 0 HB2 TYR A 38 7.665 -4.549 2.587 1.00 1.00 H new ATOM 0 HB3 TYR A 38 9.394 -4.750 2.785 1.00 1.00 H new ATOM 0 HD1 TYR A 38 10.312 -6.667 4.048 1.00 1.00 H new ATOM 0 HD2 TYR A 38 6.100 -6.269 3.331 1.00 1.00 H new ATOM 0 HE1 TYR A 38 9.983 -9.041 4.674 1.00 1.00 H new ATOM 0 HE2 TYR A 38 5.768 -8.645 3.950 1.00 1.00 H new ATOM 0 HH TYR A 38 6.718 -10.547 4.626 1.00 1.00 H new ATOM 585 N PHE A 39 8.444 -1.720 3.727 1.00 1.00 N ATOM 586 CA PHE A 39 9.064 -0.436 3.436 1.00 1.00 C ATOM 587 C PHE A 39 9.536 0.247 4.729 1.00 1.00 C ATOM 588 O PHE A 39 10.679 0.724 4.830 1.00 1.00 O ATOM 589 CB PHE A 39 8.043 0.463 2.701 1.00 1.00 C ATOM 590 CG PHE A 39 8.084 0.217 1.204 1.00 1.00 C ATOM 591 CD1 PHE A 39 9.265 0.461 0.504 1.00 1.00 C ATOM 592 CD2 PHE A 39 6.952 -0.256 0.520 1.00 1.00 C ATOM 593 CE1 PHE A 39 9.325 0.231 -0.869 1.00 1.00 C ATOM 594 CE2 PHE A 39 7.013 -0.482 -0.864 1.00 1.00 C ATOM 595 CZ PHE A 39 8.202 -0.240 -1.555 1.00 1.00 C ATOM 0 H PHE A 39 7.464 -1.795 3.453 1.00 1.00 H new ATOM 0 HA PHE A 39 9.936 -0.597 2.802 1.00 1.00 H new ATOM 0 HB2 PHE A 39 7.040 0.265 3.079 1.00 1.00 H new ATOM 0 HB3 PHE A 39 8.260 1.511 2.907 1.00 1.00 H new ATOM 0 HD1 PHE A 39 10.135 0.829 1.027 1.00 1.00 H new ATOM 0 HD2 PHE A 39 6.035 -0.446 1.059 1.00 1.00 H new ATOM 0 HE1 PHE A 39 10.244 0.418 -1.406 1.00 1.00 H new ATOM 0 HE2 PHE A 39 6.143 -0.842 -1.393 1.00 1.00 H new ATOM 0 HZ PHE A 39 8.254 -0.417 -2.619 1.00 1.00 H new ATOM 605 N LEU A 40 8.656 0.283 5.713 1.00 1.00 N ATOM 606 CA LEU A 40 8.971 0.898 6.983 1.00 1.00 C ATOM 607 C LEU A 40 10.117 0.147 7.640 1.00 1.00 C ATOM 608 O LEU A 40 11.020 0.738 8.229 1.00 1.00 O ATOM 609 CB LEU A 40 7.739 0.867 7.889 1.00 1.00 C ATOM 610 CG LEU A 40 6.633 1.768 7.304 1.00 1.00 C ATOM 611 CD1 LEU A 40 5.320 1.485 8.037 1.00 1.00 C ATOM 612 CD2 LEU A 40 6.994 3.262 7.454 1.00 1.00 C ATOM 0 H LEU A 40 7.716 -0.108 5.654 1.00 1.00 H new ATOM 0 HA LEU A 40 9.268 1.934 6.822 1.00 1.00 H new ATOM 0 HB2 LEU A 40 7.374 -0.155 7.986 1.00 1.00 H new ATOM 0 HB3 LEU A 40 8.005 1.206 8.890 1.00 1.00 H new ATOM 0 HG LEU A 40 6.530 1.548 6.242 1.00 1.00 H new ATOM 0 HD11 LEU A 40 4.532 2.118 7.629 1.00 1.00 H new ATOM 0 HD12 LEU A 40 5.048 0.438 7.905 1.00 1.00 H new ATOM 0 HD13 LEU A 40 5.443 1.697 9.099 1.00 1.00 H new ATOM 0 HD21 LEU A 40 6.196 3.873 7.033 1.00 1.00 H new ATOM 0 HD22 LEU A 40 7.116 3.503 8.510 1.00 1.00 H new ATOM 0 HD23 LEU A 40 7.925 3.466 6.925 1.00 1.00 H new ATOM 624 N HIS A 41 10.093 -1.162 7.510 1.00 1.00 N ATOM 625 CA HIS A 41 11.150 -1.971 8.084 1.00 1.00 C ATOM 626 C HIS A 41 12.489 -1.657 7.414 1.00 1.00 C ATOM 627 O HIS A 41 13.532 -1.678 8.050 1.00 1.00 O ATOM 628 CB HIS A 41 10.823 -3.457 7.918 1.00 1.00 C ATOM 629 CG HIS A 41 11.721 -4.282 8.805 1.00 1.00 C ATOM 630 ND1 HIS A 41 11.411 -4.547 10.133 1.00 1.00 N ATOM 631 CD2 HIS A 41 12.917 -4.911 8.570 1.00 1.00 C ATOM 632 CE1 HIS A 41 12.402 -5.307 10.637 1.00 1.00 C ATOM 633 NE2 HIS A 41 13.347 -5.556 9.726 1.00 1.00 N ATOM 0 H HIS A 41 9.366 -1.684 7.020 1.00 1.00 H new ATOM 0 HA HIS A 41 11.226 -1.737 9.146 1.00 1.00 H new ATOM 0 HB2 HIS A 41 9.779 -3.639 8.173 1.00 1.00 H new ATOM 0 HB3 HIS A 41 10.954 -3.753 6.877 1.00 1.00 H new ATOM 0 HD2 HIS A 41 13.446 -4.906 7.628 1.00 1.00 H new ATOM 0 HE1 HIS A 41 12.429 -5.671 11.654 1.00 1.00 H new ATOM 0 HE2 HIS A 41 14.200 -6.101 9.851 1.00 1.00 H new ATOM 642 N ALA A 42 12.460 -1.374 6.125 1.00 1.00 N ATOM 643 CA ALA A 42 13.697 -1.078 5.406 1.00 1.00 C ATOM 644 C ALA A 42 14.353 0.212 5.891 1.00 1.00 C ATOM 645 O ALA A 42 15.544 0.265 6.175 1.00 1.00 O ATOM 646 CB ALA A 42 13.411 -0.929 3.926 1.00 1.00 C ATOM 0 H ALA A 42 11.613 -1.341 5.558 1.00 1.00 H new ATOM 0 HA ALA A 42 14.377 -1.909 5.594 1.00 1.00 H new ATOM 0 HB1 ALA A 42 14.338 -0.708 3.397 1.00 1.00 H new ATOM 0 HB2 ALA A 42 12.986 -1.857 3.542 1.00 1.00 H new ATOM 0 HB3 ALA A 42 12.703 -0.115 3.772 1.00 1.00 H new ATOM 652 N ILE A 43 13.578 1.253 6.038 1.00 1.00 N ATOM 653 CA ILE A 43 14.149 2.502 6.511 1.00 1.00 C ATOM 654 C ILE A 43 14.678 2.369 7.943 1.00 1.00 C ATOM 655 O ILE A 43 15.687 2.977 8.291 1.00 1.00 O ATOM 656 CB ILE A 43 13.103 3.609 6.445 1.00 1.00 C ATOM 657 CG1 ILE A 43 11.797 3.094 7.042 1.00 1.00 C ATOM 658 CG2 ILE A 43 12.868 4.009 4.995 1.00 1.00 C ATOM 659 CD1 ILE A 43 10.728 4.188 7.005 1.00 1.00 C ATOM 0 H ILE A 43 12.576 1.272 5.846 1.00 1.00 H new ATOM 0 HA ILE A 43 14.989 2.754 5.864 1.00 1.00 H new ATOM 0 HB ILE A 43 13.454 4.476 7.005 1.00 1.00 H new ATOM 0 HG12 ILE A 43 11.454 2.222 6.485 1.00 1.00 H new ATOM 0 HG13 ILE A 43 11.962 2.772 8.070 1.00 1.00 H new ATOM 0 HG21 ILE A 43 12.120 4.800 4.953 1.00 1.00 H new ATOM 0 HG22 ILE A 43 13.801 4.368 4.561 1.00 1.00 H new ATOM 0 HG23 ILE A 43 12.515 3.145 4.432 1.00 1.00 H new ATOM 0 HD11 ILE A 43 9.802 3.806 7.434 1.00 1.00 H new ATOM 0 HD12 ILE A 43 11.068 5.048 7.582 1.00 1.00 H new ATOM 0 HD13 ILE A 43 10.552 4.490 5.973 1.00 1.00 H new ATOM 671 N LYS A 44 14.004 1.561 8.770 1.00 1.00 N ATOM 672 CA LYS A 44 14.450 1.372 10.163 1.00 1.00 C ATOM 673 C LYS A 44 15.532 0.329 10.311 1.00 1.00 C ATOM 674 O LYS A 44 16.515 0.534 11.022 1.00 1.00 O ATOM 675 CB LYS A 44 13.307 0.929 11.045 1.00 1.00 C ATOM 676 CG LYS A 44 12.219 1.960 10.984 1.00 1.00 C ATOM 677 CD LYS A 44 11.168 1.664 12.046 1.00 1.00 C ATOM 678 CE LYS A 44 10.021 2.656 11.901 1.00 1.00 C ATOM 679 NZ LYS A 44 9.040 2.460 13.010 1.00 1.00 N ATOM 0 H LYS A 44 13.168 1.037 8.512 1.00 1.00 H new ATOM 0 HA LYS A 44 14.840 2.345 10.461 1.00 1.00 H new ATOM 0 HB2 LYS A 44 12.929 -0.038 10.714 1.00 1.00 H new ATOM 0 HB3 LYS A 44 13.650 0.803 12.072 1.00 1.00 H new ATOM 0 HG2 LYS A 44 12.638 2.954 11.141 1.00 1.00 H new ATOM 0 HG3 LYS A 44 11.760 1.960 9.995 1.00 1.00 H new ATOM 0 HD2 LYS A 44 10.799 0.644 11.936 1.00 1.00 H new ATOM 0 HD3 LYS A 44 11.607 1.739 13.041 1.00 1.00 H new ATOM 0 HE2 LYS A 44 10.405 3.676 11.919 1.00 1.00 H new ATOM 0 HE3 LYS A 44 9.528 2.518 10.939 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 8.259 3.139 12.907 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 8.663 1.491 12.973 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 9.513 2.613 13.923 1.00 1.00 H new ATOM 802 N ALA A 52 16.321 8.620 -0.274 1.00 1.00 N ATOM 803 CA ALA A 52 15.641 7.341 -0.341 1.00 1.00 C ATOM 804 C ALA A 52 14.607 7.247 0.777 1.00 1.00 C ATOM 805 O ALA A 52 13.490 6.821 0.547 1.00 1.00 O ATOM 806 CB ALA A 52 16.666 6.196 -0.218 1.00 1.00 C ATOM 0 HA ALA A 52 15.131 7.254 -1.301 1.00 1.00 H new ATOM 0 HB1 ALA A 52 16.149 5.238 -0.269 1.00 1.00 H new ATOM 0 HB2 ALA A 52 17.386 6.263 -1.033 1.00 1.00 H new ATOM 0 HB3 ALA A 52 17.188 6.276 0.735 1.00 1.00 H new ATOM 812 N LYS A 53 14.984 7.650 1.984 1.00 1.00 N ATOM 813 CA LYS A 53 14.058 7.577 3.111 1.00 1.00 C ATOM 814 C LYS A 53 12.793 8.376 2.819 1.00 1.00 C ATOM 815 O LYS A 53 11.682 7.857 2.925 1.00 1.00 O ATOM 816 CB LYS A 53 14.739 8.138 4.378 1.00 1.00 C ATOM 817 CG LYS A 53 15.328 7.002 5.231 1.00 1.00 C ATOM 818 CD LYS A 53 16.437 6.284 4.443 1.00 1.00 C ATOM 819 CE LYS A 53 17.401 5.536 5.384 1.00 1.00 C ATOM 820 NZ LYS A 53 16.873 4.170 5.630 1.00 1.00 N ATOM 0 H LYS A 53 15.906 8.024 2.208 1.00 1.00 H new ATOM 0 HA LYS A 53 13.785 6.534 3.270 1.00 1.00 H new ATOM 0 HB2 LYS A 53 15.529 8.833 4.094 1.00 1.00 H new ATOM 0 HB3 LYS A 53 14.015 8.702 4.966 1.00 1.00 H new ATOM 0 HG2 LYS A 53 15.731 7.404 6.161 1.00 1.00 H new ATOM 0 HG3 LYS A 53 14.545 6.294 5.502 1.00 1.00 H new ATOM 0 HD2 LYS A 53 15.990 5.579 3.743 1.00 1.00 H new ATOM 0 HD3 LYS A 53 16.994 7.011 3.852 1.00 1.00 H new ATOM 0 HE2 LYS A 53 18.395 5.481 4.939 1.00 1.00 H new ATOM 0 HE3 LYS A 53 17.503 6.076 6.326 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 17.646 3.479 5.547 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 16.466 4.122 6.586 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 16.136 3.951 4.929 1.00 1.00 H new ATOM 834 N GLU A 54 12.966 9.629 2.439 1.00 1.00 N ATOM 835 CA GLU A 54 11.826 10.465 2.140 1.00 1.00 C ATOM 836 C GLU A 54 10.946 9.791 1.112 1.00 1.00 C ATOM 837 O GLU A 54 9.721 9.870 1.183 1.00 1.00 O ATOM 838 CB GLU A 54 12.302 11.822 1.620 1.00 1.00 C ATOM 839 CG GLU A 54 12.771 12.681 2.790 1.00 1.00 C ATOM 840 CD GLU A 54 13.329 14.004 2.272 1.00 1.00 C ATOM 841 OE1 GLU A 54 13.324 14.195 1.066 1.00 1.00 O ATOM 842 OE2 GLU A 54 13.755 14.805 3.088 1.00 1.00 O ATOM 0 H GLU A 54 13.874 10.082 2.332 1.00 1.00 H new ATOM 0 HA GLU A 54 11.246 10.618 3.050 1.00 1.00 H new ATOM 0 HB2 GLU A 54 13.115 11.685 0.907 1.00 1.00 H new ATOM 0 HB3 GLU A 54 11.493 12.323 1.089 1.00 1.00 H new ATOM 0 HG2 GLU A 54 11.941 12.868 3.471 1.00 1.00 H new ATOM 0 HG3 GLU A 54 13.536 12.151 3.358 1.00 1.00 H new ATOM 849 N SER A 55 11.568 9.119 0.161 1.00 1.00 N ATOM 850 CA SER A 55 10.800 8.439 -0.859 1.00 1.00 C ATOM 851 C SER A 55 9.922 7.357 -0.237 1.00 1.00 C ATOM 852 O SER A 55 8.759 7.200 -0.607 1.00 1.00 O ATOM 853 CB SER A 55 11.730 7.806 -1.897 1.00 1.00 C ATOM 854 OG SER A 55 10.994 6.884 -2.682 1.00 1.00 O ATOM 0 H SER A 55 12.581 9.031 0.075 1.00 1.00 H new ATOM 0 HA SER A 55 10.164 9.176 -1.350 1.00 1.00 H new ATOM 0 HB2 SER A 55 12.164 8.578 -2.533 1.00 1.00 H new ATOM 0 HB3 SER A 55 12.558 7.300 -1.400 1.00 1.00 H new ATOM 0 HG SER A 55 11.585 6.477 -3.349 1.00 1.00 H new ATOM 860 N ILE A 56 10.487 6.597 0.696 1.00 1.00 N ATOM 861 CA ILE A 56 9.732 5.518 1.325 1.00 1.00 C ATOM 862 C ILE A 56 8.578 6.072 2.161 1.00 1.00 C ATOM 863 O ILE A 56 7.461 5.582 2.090 1.00 1.00 O ATOM 864 CB ILE A 56 10.645 4.708 2.252 1.00 1.00 C ATOM 865 CG1 ILE A 56 11.968 4.398 1.568 1.00 1.00 C ATOM 866 CG2 ILE A 56 9.970 3.388 2.614 1.00 1.00 C ATOM 867 CD1 ILE A 56 11.735 3.880 0.156 1.00 1.00 C ATOM 0 H ILE A 56 11.445 6.704 1.028 1.00 1.00 H new ATOM 0 HA ILE A 56 9.337 4.886 0.530 1.00 1.00 H new ATOM 0 HB ILE A 56 10.830 5.300 3.148 1.00 1.00 H new ATOM 0 HG12 ILE A 56 12.585 5.296 1.534 1.00 1.00 H new ATOM 0 HG13 ILE A 56 12.517 3.656 2.147 1.00 1.00 H new ATOM 0 HG21 ILE A 56 10.622 2.815 3.273 1.00 1.00 H new ATOM 0 HG22 ILE A 56 9.027 3.589 3.122 1.00 1.00 H new ATOM 0 HG23 ILE A 56 9.779 2.816 1.706 1.00 1.00 H new ATOM 0 HD11 ILE A 56 12.694 3.664 -0.315 1.00 1.00 H new ATOM 0 HD12 ILE A 56 11.138 2.969 0.197 1.00 1.00 H new ATOM 0 HD13 ILE A 56 11.206 4.635 -0.426 1.00 1.00 H new ATOM 879 N ARG A 57 8.876 7.084 2.975 1.00 1.00 N ATOM 880 CA ARG A 57 7.854 7.669 3.836 1.00 1.00 C ATOM 881 C ARG A 57 6.707 8.226 2.998 1.00 1.00 C ATOM 882 O ARG A 57 5.554 7.842 3.175 1.00 1.00 O ATOM 883 CB ARG A 57 8.456 8.792 4.671 1.00 1.00 C ATOM 884 CG ARG A 57 9.655 8.260 5.475 1.00 1.00 C ATOM 885 CD ARG A 57 9.900 9.129 6.708 1.00 1.00 C ATOM 886 NE ARG A 57 9.004 8.717 7.780 1.00 1.00 N ATOM 887 CZ ARG A 57 8.651 9.559 8.746 1.00 1.00 C ATOM 888 NH1 ARG A 57 9.097 10.786 8.734 1.00 1.00 N ATOM 889 NH2 ARG A 57 7.863 9.160 9.706 1.00 1.00 N ATOM 0 H ARG A 57 9.800 7.508 3.055 1.00 1.00 H new ATOM 0 HA ARG A 57 7.471 6.889 4.494 1.00 1.00 H new ATOM 0 HB2 ARG A 57 8.775 9.608 4.023 1.00 1.00 H new ATOM 0 HB3 ARG A 57 7.704 9.197 5.348 1.00 1.00 H new ATOM 0 HG2 ARG A 57 9.468 7.230 5.780 1.00 1.00 H new ATOM 0 HG3 ARG A 57 10.546 8.250 4.847 1.00 1.00 H new ATOM 0 HD2 ARG A 57 10.937 9.036 7.031 1.00 1.00 H new ATOM 0 HD3 ARG A 57 9.734 10.179 6.465 1.00 1.00 H new ATOM 0 HE ARG A 57 8.640 7.764 7.790 1.00 1.00 H new ATOM 0 HH11 ARG A 57 9.715 11.097 7.984 1.00 1.00 H new ATOM 0 HH12 ARG A 57 8.827 11.434 9.474 1.00 1.00 H new ATOM 0 HH21 ARG A 57 7.517 8.201 9.716 1.00 1.00 H new ATOM 0 HH22 ARG A 57 7.593 9.807 10.447 1.00 1.00 H new ATOM 903 N ALA A 58 7.022 9.149 2.096 1.00 1.00 N ATOM 904 CA ALA A 58 5.996 9.751 1.256 1.00 1.00 C ATOM 905 C ALA A 58 5.169 8.662 0.575 1.00 1.00 C ATOM 906 O ALA A 58 3.940 8.678 0.583 1.00 1.00 O ATOM 907 CB ALA A 58 6.665 10.644 0.205 1.00 1.00 C ATOM 0 H ALA A 58 7.968 9.493 1.929 1.00 1.00 H new ATOM 0 HA ALA A 58 5.330 10.355 1.872 1.00 1.00 H new ATOM 0 HB1 ALA A 58 5.901 11.097 -0.427 1.00 1.00 H new ATOM 0 HB2 ALA A 58 7.236 11.428 0.703 1.00 1.00 H new ATOM 0 HB3 ALA A 58 7.335 10.043 -0.410 1.00 1.00 H new ATOM 913 N LYS A 59 5.842 7.703 -0.011 1.00 1.00 N ATOM 914 CA LYS A 59 5.136 6.628 -0.681 1.00 1.00 C ATOM 915 C LYS A 59 4.363 5.771 0.316 1.00 1.00 C ATOM 916 O LYS A 59 3.250 5.318 0.043 1.00 1.00 O ATOM 917 CB LYS A 59 6.129 5.805 -1.477 1.00 1.00 C ATOM 918 CG LYS A 59 6.695 6.648 -2.645 1.00 1.00 C ATOM 919 CD LYS A 59 5.620 7.054 -3.679 1.00 1.00 C ATOM 920 CE LYS A 59 4.848 5.823 -4.147 1.00 1.00 C ATOM 921 NZ LYS A 59 5.802 4.692 -4.297 1.00 1.00 N ATOM 0 H LYS A 59 6.860 7.640 -0.041 1.00 1.00 H new ATOM 0 HA LYS A 59 4.400 7.049 -1.365 1.00 1.00 H new ATOM 0 HB2 LYS A 59 6.941 5.473 -0.830 1.00 1.00 H new ATOM 0 HB3 LYS A 59 5.644 4.909 -1.865 1.00 1.00 H new ATOM 0 HG2 LYS A 59 7.161 7.547 -2.243 1.00 1.00 H new ATOM 0 HG3 LYS A 59 7.478 6.081 -3.148 1.00 1.00 H new ATOM 0 HD2 LYS A 59 4.934 7.776 -3.237 1.00 1.00 H new ATOM 0 HD3 LYS A 59 6.091 7.543 -4.532 1.00 1.00 H new ATOM 0 HE2 LYS A 59 4.070 5.568 -3.427 1.00 1.00 H new ATOM 0 HE3 LYS A 59 4.351 6.027 -5.095 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 5.274 3.797 -4.348 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 6.355 4.818 -5.169 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 6.445 4.669 -3.480 1.00 1.00 H new ATOM 935 N CYS A 60 4.964 5.522 1.460 1.00 1.00 N ATOM 936 CA CYS A 60 4.329 4.699 2.475 1.00 1.00 C ATOM 937 C CYS A 60 2.959 5.263 2.837 1.00 1.00 C ATOM 938 O CYS A 60 1.965 4.537 2.854 1.00 1.00 O ATOM 939 CB CYS A 60 5.223 4.656 3.713 1.00 1.00 C ATOM 940 SG CYS A 60 6.497 3.397 3.491 1.00 1.00 S ATOM 0 H CYS A 60 5.887 5.874 1.713 1.00 1.00 H new ATOM 0 HA CYS A 60 4.191 3.690 2.087 1.00 1.00 H new ATOM 0 HB2 CYS A 60 5.684 5.630 3.876 1.00 1.00 H new ATOM 0 HB3 CYS A 60 4.627 4.433 4.598 1.00 1.00 H new ATOM 0 HG CYS A 60 7.301 3.757 2.535 1.00 1.00 H new ATOM 946 N VAL A 61 2.915 6.561 3.112 1.00 1.00 N ATOM 947 CA VAL A 61 1.659 7.210 3.461 1.00 1.00 C ATOM 948 C VAL A 61 0.688 7.159 2.286 1.00 1.00 C ATOM 949 O VAL A 61 -0.523 7.092 2.478 1.00 1.00 O ATOM 950 CB VAL A 61 1.908 8.661 3.893 1.00 1.00 C ATOM 951 CG1 VAL A 61 2.607 9.438 2.785 1.00 1.00 C ATOM 952 CG2 VAL A 61 0.574 9.333 4.209 1.00 1.00 C ATOM 0 H VAL A 61 3.726 7.179 3.100 1.00 1.00 H new ATOM 0 HA VAL A 61 1.213 6.674 4.298 1.00 1.00 H new ATOM 0 HB VAL A 61 2.545 8.656 4.778 1.00 1.00 H new ATOM 0 HG11 VAL A 61 2.775 10.465 3.111 1.00 1.00 H new ATOM 0 HG12 VAL A 61 3.564 8.968 2.559 1.00 1.00 H new ATOM 0 HG13 VAL A 61 1.983 9.438 1.891 1.00 1.00 H new ATOM 0 HG21 VAL A 61 0.750 10.364 4.516 1.00 1.00 H new ATOM 0 HG22 VAL A 61 -0.058 9.322 3.321 1.00 1.00 H new ATOM 0 HG23 VAL A 61 0.077 8.794 5.016 1.00 1.00 H new ATOM 962 N GLN A 62 1.228 7.153 1.068 1.00 1.00 N ATOM 963 CA GLN A 62 0.377 7.069 -0.114 1.00 1.00 C ATOM 964 C GLN A 62 -0.254 5.684 -0.219 1.00 1.00 C ATOM 965 O GLN A 62 -1.461 5.551 -0.455 1.00 1.00 O ATOM 966 CB GLN A 62 1.192 7.368 -1.378 1.00 1.00 C ATOM 967 CG GLN A 62 1.525 8.862 -1.421 1.00 1.00 C ATOM 968 CD GLN A 62 2.497 9.155 -2.560 1.00 1.00 C ATOM 969 OE1 GLN A 62 2.292 8.697 -3.683 1.00 1.00 O ATOM 970 NE2 GLN A 62 3.548 9.897 -2.335 1.00 1.00 N ATOM 0 H GLN A 62 2.229 7.204 0.877 1.00 1.00 H new ATOM 0 HA GLN A 62 -0.416 7.810 -0.020 1.00 1.00 H new ATOM 0 HB2 GLN A 62 2.109 6.779 -1.382 1.00 1.00 H new ATOM 0 HB3 GLN A 62 0.627 7.084 -2.265 1.00 1.00 H new ATOM 0 HG2 GLN A 62 0.612 9.441 -1.555 1.00 1.00 H new ATOM 0 HG3 GLN A 62 1.962 9.172 -0.472 1.00 1.00 H new ATOM 0 HE21 GLN A 62 3.715 10.275 -1.403 1.00 1.00 H new ATOM 0 HE22 GLN A 62 4.202 10.098 -3.092 1.00 1.00 H new ATOM 979 N TYR A 63 0.565 4.655 -0.045 1.00 1.00 N ATOM 980 CA TYR A 63 0.071 3.293 -0.131 1.00 1.00 C ATOM 981 C TYR A 63 -0.988 3.047 0.937 1.00 1.00 C ATOM 982 O TYR A 63 -2.064 2.519 0.650 1.00 1.00 O ATOM 983 CB TYR A 63 1.228 2.294 0.045 1.00 1.00 C ATOM 984 CG TYR A 63 2.187 2.350 -1.138 1.00 1.00 C ATOM 985 CD1 TYR A 63 1.707 2.225 -2.444 1.00 1.00 C ATOM 986 CD2 TYR A 63 3.563 2.526 -0.924 1.00 1.00 C ATOM 987 CE1 TYR A 63 2.590 2.284 -3.531 1.00 1.00 C ATOM 988 CE2 TYR A 63 4.442 2.587 -2.014 1.00 1.00 C ATOM 989 CZ TYR A 63 3.951 2.470 -3.315 1.00 1.00 C ATOM 990 OH TYR A 63 4.807 2.531 -4.391 1.00 1.00 O ATOM 0 H TYR A 63 1.562 4.738 0.154 1.00 1.00 H new ATOM 0 HA TYR A 63 -0.376 3.149 -1.115 1.00 1.00 H new ATOM 0 HB2 TYR A 63 1.768 2.517 0.965 1.00 1.00 H new ATOM 0 HB3 TYR A 63 0.829 1.285 0.146 1.00 1.00 H new ATOM 0 HD1 TYR A 63 0.651 2.082 -2.617 1.00 1.00 H new ATOM 0 HD2 TYR A 63 3.945 2.615 0.082 1.00 1.00 H new ATOM 0 HE1 TYR A 63 2.213 2.185 -4.538 1.00 1.00 H new ATOM 0 HE2 TYR A 63 5.500 2.725 -1.847 1.00 1.00 H new ATOM 0 HH TYR A 63 4.290 2.667 -5.213 1.00 1.00 H new ATOM 1000 N LEU A 64 -0.679 3.427 2.163 1.00 1.00 N ATOM 1001 CA LEU A 64 -1.626 3.223 3.241 1.00 1.00 C ATOM 1002 C LEU A 64 -2.912 3.976 2.952 1.00 1.00 C ATOM 1003 O LEU A 64 -3.995 3.411 3.060 1.00 1.00 O ATOM 1004 CB LEU A 64 -1.023 3.704 4.565 1.00 1.00 C ATOM 1005 CG LEU A 64 -0.282 2.571 5.282 1.00 1.00 C ATOM 1006 CD1 LEU A 64 0.634 3.178 6.353 1.00 1.00 C ATOM 1007 CD2 LEU A 64 -1.277 1.606 5.953 1.00 1.00 C ATOM 0 H LEU A 64 0.200 3.869 2.433 1.00 1.00 H new ATOM 0 HA LEU A 64 -1.850 2.159 3.319 1.00 1.00 H new ATOM 0 HB2 LEU A 64 -0.336 4.529 4.376 1.00 1.00 H new ATOM 0 HB3 LEU A 64 -1.814 4.089 5.209 1.00 1.00 H new ATOM 0 HG LEU A 64 0.303 2.013 4.551 1.00 1.00 H new ATOM 0 HD11 LEU A 64 1.167 2.380 6.870 1.00 1.00 H new ATOM 0 HD12 LEU A 64 1.353 3.847 5.880 1.00 1.00 H new ATOM 0 HD13 LEU A 64 0.034 3.738 7.070 1.00 1.00 H new ATOM 0 HD21 LEU A 64 -0.729 0.810 6.456 1.00 1.00 H new ATOM 0 HD22 LEU A 64 -1.876 2.151 6.683 1.00 1.00 H new ATOM 0 HD23 LEU A 64 -1.931 1.174 5.196 1.00 1.00 H new ATOM 1019 N ASP A 65 -2.814 5.245 2.585 1.00 1.00 N ATOM 1020 CA ASP A 65 -4.006 6.018 2.315 1.00 1.00 C ATOM 1021 C ASP A 65 -4.912 5.262 1.364 1.00 1.00 C ATOM 1022 O ASP A 65 -6.120 5.168 1.583 1.00 1.00 O ATOM 1023 CB ASP A 65 -3.587 7.345 1.689 1.00 1.00 C ATOM 1024 CG ASP A 65 -4.808 8.192 1.359 1.00 1.00 C ATOM 1025 OD1 ASP A 65 -5.911 7.703 1.537 1.00 1.00 O ATOM 1026 OD2 ASP A 65 -4.620 9.317 0.928 1.00 1.00 O ATOM 0 H ASP A 65 -1.935 5.750 2.470 1.00 1.00 H new ATOM 0 HA ASP A 65 -4.552 6.196 3.242 1.00 1.00 H new ATOM 0 HB2 ASP A 65 -2.936 7.887 2.375 1.00 1.00 H new ATOM 0 HB3 ASP A 65 -3.011 7.160 0.783 1.00 1.00 H new ATOM 1031 N ARG A 66 -4.331 4.706 0.318 1.00 1.00 N ATOM 1032 CA ARG A 66 -5.129 3.952 -0.627 1.00 1.00 C ATOM 1033 C ARG A 66 -5.787 2.772 0.073 1.00 1.00 C ATOM 1034 O ARG A 66 -6.965 2.480 -0.136 1.00 1.00 O ATOM 1035 CB ARG A 66 -4.246 3.466 -1.772 1.00 1.00 C ATOM 1036 CG ARG A 66 -3.839 4.653 -2.660 1.00 1.00 C ATOM 1037 CD ARG A 66 -4.968 5.026 -3.626 1.00 1.00 C ATOM 1038 NE ARG A 66 -5.360 3.855 -4.397 1.00 1.00 N ATOM 1039 CZ ARG A 66 -6.160 3.962 -5.446 1.00 1.00 C ATOM 1040 NH1 ARG A 66 -6.606 5.133 -5.802 1.00 1.00 N ATOM 1041 NH2 ARG A 66 -6.492 2.898 -6.125 1.00 1.00 N ATOM 0 H ARG A 66 -3.335 4.760 0.105 1.00 1.00 H new ATOM 0 HA ARG A 66 -5.910 4.595 -1.032 1.00 1.00 H new ATOM 0 HB2 ARG A 66 -3.357 2.977 -1.374 1.00 1.00 H new ATOM 0 HB3 ARG A 66 -4.780 2.724 -2.365 1.00 1.00 H new ATOM 0 HG2 ARG A 66 -3.591 5.511 -2.035 1.00 1.00 H new ATOM 0 HG3 ARG A 66 -2.941 4.399 -3.224 1.00 1.00 H new ATOM 0 HD2 ARG A 66 -5.823 5.411 -3.070 1.00 1.00 H new ATOM 0 HD3 ARG A 66 -4.639 5.821 -4.295 1.00 1.00 H new ATOM 0 HE ARG A 66 -5.012 2.936 -4.124 1.00 1.00 H new ATOM 0 HH11 ARG A 66 -6.338 5.963 -5.273 1.00 1.00 H new ATOM 0 HH12 ARG A 66 -7.223 5.220 -6.610 1.00 1.00 H new ATOM 0 HH21 ARG A 66 -6.135 1.984 -5.847 1.00 1.00 H new ATOM 0 HH22 ARG A 66 -7.109 2.981 -6.933 1.00 1.00 H new ATOM 1055 N ALA A 67 -5.010 2.072 0.880 1.00 1.00 N ATOM 1056 CA ALA A 67 -5.535 0.910 1.580 1.00 1.00 C ATOM 1057 C ALA A 67 -6.666 1.314 2.529 1.00 1.00 C ATOM 1058 O ALA A 67 -7.623 0.564 2.733 1.00 1.00 O ATOM 1059 CB ALA A 67 -4.415 0.208 2.359 1.00 1.00 C ATOM 0 H ALA A 67 -4.029 2.281 1.066 1.00 1.00 H new ATOM 0 HA ALA A 67 -5.938 0.218 0.841 1.00 1.00 H new ATOM 0 HB1 ALA A 67 -4.822 -0.660 2.878 1.00 1.00 H new ATOM 0 HB2 ALA A 67 -3.637 -0.115 1.667 1.00 1.00 H new ATOM 0 HB3 ALA A 67 -3.989 0.899 3.086 1.00 1.00 H new ATOM 1065 N GLU A 68 -6.550 2.505 3.105 1.00 1.00 N ATOM 1066 CA GLU A 68 -7.556 3.006 4.030 1.00 1.00 C ATOM 1067 C GLU A 68 -8.886 3.237 3.328 1.00 1.00 C ATOM 1068 O GLU A 68 -9.917 2.715 3.748 1.00 1.00 O ATOM 1069 CB GLU A 68 -7.074 4.327 4.636 1.00 1.00 C ATOM 1070 CG GLU A 68 -5.899 4.065 5.574 1.00 1.00 C ATOM 1071 CD GLU A 68 -5.330 5.389 6.082 1.00 1.00 C ATOM 1072 OE1 GLU A 68 -5.862 6.422 5.712 1.00 1.00 O ATOM 1073 OE2 GLU A 68 -4.368 5.348 6.833 1.00 1.00 O ATOM 0 H GLU A 68 -5.768 3.141 2.947 1.00 1.00 H new ATOM 0 HA GLU A 68 -7.703 2.260 4.811 1.00 1.00 H new ATOM 0 HB2 GLU A 68 -6.774 5.013 3.844 1.00 1.00 H new ATOM 0 HB3 GLU A 68 -7.887 4.806 5.181 1.00 1.00 H new ATOM 0 HG2 GLU A 68 -6.224 3.453 6.415 1.00 1.00 H new ATOM 0 HG3 GLU A 68 -5.124 3.503 5.052 1.00 1.00 H new ATOM 1080 N LYS A 69 -8.868 4.018 2.257 1.00 1.00 N ATOM 1081 CA LYS A 69 -10.100 4.293 1.536 1.00 1.00 C ATOM 1082 C LYS A 69 -10.690 2.989 1.006 1.00 1.00 C ATOM 1083 O LYS A 69 -11.920 2.829 0.942 1.00 1.00 O ATOM 1084 CB LYS A 69 -9.833 5.274 0.381 1.00 1.00 C ATOM 1085 CG LYS A 69 -8.773 4.684 -0.530 1.00 1.00 C ATOM 1086 CD LYS A 69 -8.493 5.621 -1.735 1.00 1.00 C ATOM 1087 CE LYS A 69 -8.421 4.801 -3.031 1.00 1.00 C ATOM 1088 NZ LYS A 69 -7.566 3.596 -2.819 1.00 1.00 N ATOM 0 H LYS A 69 -8.033 4.463 1.875 1.00 1.00 H new ATOM 0 HA LYS A 69 -10.817 4.752 2.216 1.00 1.00 H new ATOM 0 HB2 LYS A 69 -10.751 5.457 -0.178 1.00 1.00 H new ATOM 0 HB3 LYS A 69 -9.501 6.236 0.772 1.00 1.00 H new ATOM 0 HG2 LYS A 69 -7.853 4.524 0.032 1.00 1.00 H new ATOM 0 HG3 LYS A 69 -9.100 3.709 -0.891 1.00 1.00 H new ATOM 0 HD2 LYS A 69 -9.279 6.372 -1.813 1.00 1.00 H new ATOM 0 HD3 LYS A 69 -7.556 6.156 -1.581 1.00 1.00 H new ATOM 0 HE2 LYS A 69 -9.422 4.499 -3.337 1.00 1.00 H new ATOM 0 HE3 LYS A 69 -8.012 5.411 -3.836 1.00 1.00 H new ATOM 0 HZ1 LYS A 69 -7.694 2.936 -3.612 1.00 1.00 H new ATOM 0 HZ2 LYS A 69 -6.568 3.884 -2.765 1.00 1.00 H new ATOM 0 HZ3 LYS A 69 -7.840 3.128 -1.932 1.00 1.00 H new ATOM 1102 N LEU A 70 -9.819 2.064 0.609 1.00 1.00 N ATOM 1103 CA LEU A 70 -10.270 0.794 0.061 1.00 1.00 C ATOM 1104 C LEU A 70 -11.100 0.056 1.082 1.00 1.00 C ATOM 1105 O LEU A 70 -12.200 -0.421 0.792 1.00 1.00 O ATOM 1106 CB LEU A 70 -9.059 -0.059 -0.379 1.00 1.00 C ATOM 1107 CG LEU A 70 -8.557 0.410 -1.763 1.00 1.00 C ATOM 1108 CD1 LEU A 70 -7.112 -0.055 -1.983 1.00 1.00 C ATOM 1109 CD2 LEU A 70 -9.445 -0.166 -2.892 1.00 1.00 C ATOM 0 H LEU A 70 -8.806 2.171 0.657 1.00 1.00 H new ATOM 0 HA LEU A 70 -10.889 0.986 -0.815 1.00 1.00 H new ATOM 0 HB2 LEU A 70 -8.258 0.026 0.355 1.00 1.00 H new ATOM 0 HB3 LEU A 70 -9.341 -1.111 -0.423 1.00 1.00 H new ATOM 0 HG LEU A 70 -8.605 1.499 -1.788 1.00 1.00 H new ATOM 0 HD11 LEU A 70 -6.767 0.280 -2.961 1.00 1.00 H new ATOM 0 HD12 LEU A 70 -6.472 0.367 -1.208 1.00 1.00 H new ATOM 0 HD13 LEU A 70 -7.069 -1.143 -1.936 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -9.074 0.177 -3.858 1.00 1.00 H new ATOM 0 HD22 LEU A 70 -9.416 -1.255 -2.858 1.00 1.00 H new ATOM 0 HD23 LEU A 70 -10.472 0.174 -2.757 1.00 1.00 H new ATOM 1121 N LYS A 71 -10.580 0.013 2.284 1.00 1.00 N ATOM 1122 CA LYS A 71 -11.260 -0.628 3.395 1.00 1.00 C ATOM 1123 C LYS A 71 -12.470 0.176 3.837 1.00 1.00 C ATOM 1124 O LYS A 71 -13.390 -0.366 4.445 1.00 1.00 O ATOM 1125 CB LYS A 71 -10.300 -0.799 4.591 1.00 1.00 C ATOM 1126 CG LYS A 71 -10.890 -1.825 5.568 1.00 1.00 C ATOM 1127 CD LYS A 71 -9.833 -2.232 6.590 1.00 1.00 C ATOM 1128 CE LYS A 71 -9.192 -0.987 7.206 1.00 1.00 C ATOM 1129 NZ LYS A 71 -8.492 -1.368 8.463 1.00 1.00 N ATOM 0 H LYS A 71 -9.676 0.419 2.525 1.00 1.00 H new ATOM 0 HA LYS A 71 -11.594 -1.607 3.053 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -9.322 -1.131 4.243 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -10.152 0.157 5.094 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -11.756 -1.401 6.076 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -11.238 -2.702 5.022 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -10.287 -2.842 7.371 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -9.069 -2.845 6.111 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -8.487 -0.541 6.504 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -9.954 -0.236 7.413 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -8.054 -0.525 8.886 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -9.176 -1.775 9.132 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -7.755 -2.071 8.251 1.00 1.00 H new ATOM 1143 N ASP A 72 -12.450 1.477 3.564 1.00 1.00 N ATOM 1144 CA ASP A 72 -13.530 2.362 3.981 1.00 1.00 C ATOM 1145 C ASP A 72 -14.840 2.060 3.266 1.00 1.00 C ATOM 1146 O ASP A 72 -15.870 1.806 3.896 1.00 1.00 O ATOM 1147 CB ASP A 72 -13.140 3.798 3.635 1.00 1.00 C ATOM 1148 CG ASP A 72 -14.030 4.782 4.381 1.00 1.00 C ATOM 1149 OD1 ASP A 72 -15.080 4.360 4.842 1.00 1.00 O ATOM 1150 OD2 ASP A 72 -13.660 5.936 4.482 1.00 1.00 O ATOM 0 H ASP A 72 -11.697 1.941 3.056 1.00 1.00 H new ATOM 0 HA ASP A 72 -13.678 2.216 5.051 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -12.096 3.971 3.896 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -13.231 3.958 2.561 1.00 1.00 H new ATOM 1155 N TYR A 73 -14.800 2.079 1.940 1.00 1.00 N ATOM 1156 CA TYR A 73 -16.020 1.806 1.186 1.00 1.00 C ATOM 1157 C TYR A 73 -16.290 0.311 1.164 1.00 1.00 C ATOM 1158 O TYR A 73 -17.440 -0.107 1.087 1.00 1.00 O ATOM 1159 CB TYR A 73 -15.950 2.365 -0.244 1.00 1.00 C ATOM 1160 CG TYR A 73 -15.040 1.543 -1.114 1.00 1.00 C ATOM 1161 CD1 TYR A 73 -15.490 0.320 -1.602 1.00 1.00 C ATOM 1162 CD2 TYR A 73 -13.770 1.998 -1.432 1.00 1.00 C ATOM 1163 CE1 TYR A 73 -14.660 -0.461 -2.396 1.00 1.00 C ATOM 1164 CE2 TYR A 73 -12.940 1.223 -2.240 1.00 1.00 C ATOM 1165 CZ TYR A 73 -13.390 -0.008 -2.716 1.00 1.00 C ATOM 1166 OH TYR A 73 -12.570 -0.797 -3.468 1.00 1.00 O ATOM 0 H TYR A 73 -13.970 2.273 1.379 1.00 1.00 H new ATOM 0 HA TYR A 73 -16.844 2.313 1.688 1.00 1.00 H new ATOM 0 HB2 TYR A 73 -16.950 2.384 -0.678 1.00 1.00 H new ATOM 0 HB3 TYR A 73 -15.595 3.395 -0.216 1.00 1.00 H new ATOM 0 HD1 TYR A 73 -16.486 -0.022 -1.363 1.00 1.00 H new ATOM 0 HD2 TYR A 73 -13.425 2.949 -1.055 1.00 1.00 H new ATOM 0 HE1 TYR A 73 -15.003 -1.417 -2.762 1.00 1.00 H new ATOM 0 HE2 TYR A 73 -11.952 1.575 -2.497 1.00 1.00 H new ATOM 0 HH TYR A 73 -12.865 -1.729 -3.405 1.00 1.00 H new ATOM 1176 N LEU A 74 -15.230 -0.493 1.230 1.00 1.00 N ATOM 1177 CA LEU A 74 -15.410 -1.936 1.214 1.00 1.00 C ATOM 1178 C LEU A 74 -16.290 -2.351 2.391 1.00 1.00 C ATOM 1179 O LEU A 74 -17.250 -3.107 2.228 1.00 1.00 O ATOM 1180 CB LEU A 74 -14.040 -2.624 1.329 1.00 1.00 C ATOM 1181 CG LEU A 74 -13.400 -2.818 -0.060 1.00 1.00 C ATOM 1182 CD1 LEU A 74 -11.900 -3.213 0.086 1.00 1.00 C ATOM 1183 CD2 LEU A 74 -14.200 -3.887 -0.859 1.00 1.00 C ATOM 0 H LEU A 74 -14.262 -0.177 1.293 1.00 1.00 H new ATOM 0 HA LEU A 74 -15.888 -2.233 0.281 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -13.380 -2.025 1.957 1.00 1.00 H new ATOM 0 HB3 LEU A 74 -14.155 -3.591 1.819 1.00 1.00 H new ATOM 0 HG LEU A 74 -13.439 -1.880 -0.614 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -11.461 -3.347 -0.903 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -11.366 -2.425 0.616 1.00 1.00 H new ATOM 0 HD13 LEU A 74 -11.822 -4.145 0.647 1.00 1.00 H new ATOM 0 HD21 LEU A 74 -13.746 -4.023 -1.841 1.00 1.00 H new ATOM 0 HD22 LEU A 74 -14.184 -4.833 -0.318 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -15.231 -3.555 -0.979 1.00 1.00 H new ATOM 1273 N PRO B 171 6.694 2.284 -7.628 1.00 1.00 N ATOM 1274 CA PRO B 171 5.486 2.397 -8.500 1.00 1.00 C ATOM 1275 C PRO B 171 4.537 3.495 -8.026 1.00 1.00 C ATOM 1276 O PRO B 171 4.636 3.965 -6.894 1.00 1.00 O ATOM 1277 CB PRO B 171 4.803 1.032 -8.386 1.00 1.00 C ATOM 1278 CG PRO B 171 5.881 0.066 -8.012 1.00 1.00 C ATOM 1279 CD PRO B 171 7.016 0.868 -7.361 1.00 1.00 C ATOM 0 HA PRO B 171 5.760 2.659 -9.522 1.00 1.00 H new ATOM 0 HB2 PRO B 171 4.016 1.051 -7.632 1.00 1.00 H new ATOM 0 HB3 PRO B 171 4.335 0.749 -9.329 1.00 1.00 H new ATOM 0 HG2 PRO B 171 5.499 -0.686 -7.322 1.00 1.00 H new ATOM 0 HG3 PRO B 171 6.243 -0.464 -8.893 1.00 1.00 H new ATOM 0 HD2 PRO B 171 7.072 0.672 -6.290 1.00 1.00 H new ATOM 0 HD3 PRO B 171 7.983 0.597 -7.786 1.00 1.00 H new ATOM 1287 N GLU B 172 3.607 3.887 -8.898 1.00 1.00 N ATOM 1288 CA GLU B 172 2.629 4.913 -8.555 1.00 1.00 C ATOM 1289 C GLU B 172 1.270 4.270 -8.369 1.00 1.00 C ATOM 1290 O GLU B 172 0.732 3.640 -9.279 1.00 1.00 O ATOM 1291 CB GLU B 172 2.558 5.964 -9.659 1.00 1.00 C ATOM 1292 CG GLU B 172 1.670 7.125 -9.209 1.00 1.00 C ATOM 1293 CD GLU B 172 2.348 7.888 -8.075 1.00 1.00 C ATOM 1294 OE1 GLU B 172 3.557 7.776 -7.953 1.00 1.00 O ATOM 1295 OE2 GLU B 172 1.649 8.568 -7.343 1.00 1.00 O ATOM 0 H GLU B 172 3.513 3.510 -9.841 1.00 1.00 H new ATOM 0 HA GLU B 172 2.932 5.400 -7.628 1.00 1.00 H new ATOM 0 HB2 GLU B 172 3.558 6.328 -9.893 1.00 1.00 H new ATOM 0 HB3 GLU B 172 2.159 5.521 -10.571 1.00 1.00 H new ATOM 0 HG2 GLU B 172 1.480 7.795 -10.047 1.00 1.00 H new ATOM 0 HG3 GLU B 172 0.703 6.747 -8.878 1.00 1.00 H new ATOM 1302 N VAL B 173 0.725 4.425 -7.174 1.00 1.00 N ATOM 1303 CA VAL B 173 -0.569 3.831 -6.860 1.00 1.00 C ATOM 1304 C VAL B 173 -1.608 4.184 -7.946 1.00 1.00 C ATOM 1305 O VAL B 173 -1.764 5.354 -8.303 1.00 1.00 O ATOM 1306 CB VAL B 173 -1.068 4.309 -5.459 1.00 1.00 C ATOM 1307 CG1 VAL B 173 -0.937 3.192 -4.405 1.00 1.00 C ATOM 1308 CG2 VAL B 173 -0.226 5.495 -4.997 1.00 1.00 C ATOM 0 H VAL B 173 1.151 4.951 -6.411 1.00 1.00 H new ATOM 0 HA VAL B 173 -0.448 2.748 -6.835 1.00 1.00 H new ATOM 0 HB VAL B 173 -2.117 4.587 -5.557 1.00 1.00 H new ATOM 0 HG11 VAL B 173 -1.293 3.557 -3.442 1.00 1.00 H new ATOM 0 HG12 VAL B 173 -1.534 2.332 -4.710 1.00 1.00 H new ATOM 0 HG13 VAL B 173 0.108 2.895 -4.317 1.00 1.00 H new ATOM 0 HG21 VAL B 173 -0.574 5.829 -4.019 1.00 1.00 H new ATOM 0 HG22 VAL B 173 0.819 5.194 -4.927 1.00 1.00 H new ATOM 0 HG23 VAL B 173 -0.321 6.310 -5.714 1.00 1.00 H new ATOM 1318 N PRO B 174 -2.318 3.200 -8.462 1.00 1.00 N ATOM 1319 CA PRO B 174 -3.362 3.437 -9.504 1.00 1.00 C ATOM 1320 C PRO B 174 -4.608 4.116 -8.929 1.00 1.00 C ATOM 1321 O PRO B 174 -4.929 3.959 -7.750 1.00 1.00 O ATOM 1322 CB PRO B 174 -3.673 2.026 -10.010 1.00 1.00 C ATOM 1323 CG PRO B 174 -3.419 1.123 -8.859 1.00 1.00 C ATOM 1324 CD PRO B 174 -2.287 1.775 -8.064 1.00 1.00 C ATOM 0 HA PRO B 174 -3.025 4.112 -10.291 1.00 1.00 H new ATOM 0 HB2 PRO B 174 -4.707 1.950 -10.347 1.00 1.00 H new ATOM 0 HB3 PRO B 174 -3.041 1.766 -10.859 1.00 1.00 H new ATOM 0 HG2 PRO B 174 -4.313 1.009 -8.246 1.00 1.00 H new ATOM 0 HG3 PRO B 174 -3.136 0.126 -9.198 1.00 1.00 H new ATOM 0 HD2 PRO B 174 -2.440 1.661 -6.991 1.00 1.00 H new ATOM 0 HD3 PRO B 174 -1.325 1.319 -8.299 1.00 1.00 H new