USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 592 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 42 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 45 GLN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Set 2.1: A 32 THR OG1 : rot 180:sc= -0.0727 USER MOD Set 2.2: A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 33:sc= 0.466 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 22:sc= 0.404 USER MOD Single : A 6 SER OG : rot 19:sc= 0.137 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0613 USER MOD Single : A 17 LYS NZ :NH3+ -157:sc= -0.0554 (180deg=-0.367) USER MOD Single : A 22 GLN : amide:sc= -0.0203 X(o=-0.02,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot -47:sc= 1.01 USER MOD Single : A 36 LYS NZ :NH3+ 162:sc= -0.028 (180deg=-0.302) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot -10:sc= 0.308 USER MOD Single : A 52 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.53) USER MOD Single : A 53 TYR OH : rot 35:sc= 0.0882 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 57 LYS NZ :NH3+ -135:sc= 0.424 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -96:sc= 0.986 USER MOD Single : A 68 ASN : amide:sc= -1.99 K(o=-2,f=-8.8!) USER MOD Single : A 69 GLN : amide:sc= -1.6 K(o=-1.6,f=-4.7) USER MOD Single : A 70 LYS NZ :NH3+ -161:sc= -0.0213 (180deg=-0.203) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.401 11.554 -6.436 1.00 0.00 N ATOM 2 CA GLY A 1 -16.482 12.956 -6.800 1.00 0.00 C ATOM 3 C GLY A 1 -16.530 13.164 -8.301 1.00 0.00 C ATOM 4 O GLY A 1 -15.706 13.887 -8.861 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.371 11.465 -5.400 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.235 11.052 -6.802 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.539 11.139 -6.844 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.371 13.395 -6.347 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.621 13.485 -6.390 1.00 0.00 H new ATOM 8 N SER A 2 -17.497 12.528 -8.954 1.00 0.00 N ATOM 9 CA SER A 2 -17.646 12.642 -10.400 1.00 0.00 C ATOM 10 C SER A 2 -19.074 12.317 -10.827 1.00 0.00 C ATOM 11 O SER A 2 -19.895 11.892 -10.014 1.00 0.00 O ATOM 12 CB SER A 2 -16.664 11.708 -11.111 1.00 0.00 C ATOM 13 OG SER A 2 -15.423 12.353 -11.341 1.00 0.00 O ATOM 0 H SER A 2 -18.189 11.928 -8.505 1.00 0.00 H new ATOM 0 HA SER A 2 -17.426 13.672 -10.682 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.506 10.814 -10.508 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.089 11.382 -12.060 1.00 0.00 H new ATOM 0 HG SER A 2 -15.240 12.980 -10.610 1.00 0.00 H new ATOM 19 N SER A 3 -19.363 12.519 -12.108 1.00 0.00 N ATOM 20 CA SER A 3 -20.693 12.251 -12.644 1.00 0.00 C ATOM 21 C SER A 3 -20.692 10.984 -13.492 1.00 0.00 C ATOM 22 O SER A 3 -20.385 11.021 -14.683 1.00 0.00 O ATOM 23 CB SER A 3 -21.178 13.438 -13.479 1.00 0.00 C ATOM 24 OG SER A 3 -22.481 13.206 -13.986 1.00 0.00 O ATOM 0 H SER A 3 -18.694 12.867 -12.795 1.00 0.00 H new ATOM 0 HA SER A 3 -21.373 12.104 -11.805 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.177 14.341 -12.868 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.488 13.612 -14.305 1.00 0.00 H new ATOM 0 HG SER A 3 -22.769 13.979 -14.515 1.00 0.00 H new ATOM 30 N GLY A 4 -21.037 9.861 -12.869 1.00 0.00 N ATOM 31 CA GLY A 4 -21.070 8.597 -13.581 1.00 0.00 C ATOM 32 C GLY A 4 -19.722 8.227 -14.168 1.00 0.00 C ATOM 33 O GLY A 4 -19.209 8.920 -15.047 1.00 0.00 O ATOM 0 H GLY A 4 -21.294 9.804 -11.884 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.396 7.809 -12.902 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -21.808 8.653 -14.381 1.00 0.00 H new ATOM 37 N SER A 5 -19.146 7.134 -13.680 1.00 0.00 N ATOM 38 CA SER A 5 -17.846 6.676 -14.158 1.00 0.00 C ATOM 39 C SER A 5 -17.703 5.167 -13.984 1.00 0.00 C ATOM 40 O SER A 5 -17.914 4.634 -12.894 1.00 0.00 O ATOM 41 CB SER A 5 -16.722 7.396 -13.410 1.00 0.00 C ATOM 42 OG SER A 5 -16.452 8.661 -13.990 1.00 0.00 O ATOM 0 H SER A 5 -19.558 6.548 -12.954 1.00 0.00 H new ATOM 0 HA SER A 5 -17.774 6.910 -15.220 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.001 7.524 -12.364 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.820 6.785 -13.427 1.00 0.00 H new ATOM 0 HG SER A 5 -17.231 8.958 -14.504 1.00 0.00 H new ATOM 48 N SER A 6 -17.344 4.484 -15.066 1.00 0.00 N ATOM 49 CA SER A 6 -17.177 3.036 -15.036 1.00 0.00 C ATOM 50 C SER A 6 -15.699 2.661 -14.973 1.00 0.00 C ATOM 51 O SER A 6 -14.886 3.165 -15.747 1.00 0.00 O ATOM 52 CB SER A 6 -17.824 2.401 -16.268 1.00 0.00 C ATOM 53 OG SER A 6 -17.169 2.808 -17.456 1.00 0.00 O ATOM 0 H SER A 6 -17.163 4.910 -15.975 1.00 0.00 H new ATOM 0 HA SER A 6 -17.669 2.657 -14.140 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.787 1.315 -16.183 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.876 2.681 -16.315 1.00 0.00 H new ATOM 0 HG SER A 6 -16.277 3.150 -17.237 1.00 0.00 H new ATOM 59 N GLY A 7 -15.359 1.773 -14.044 1.00 0.00 N ATOM 60 CA GLY A 7 -13.981 1.345 -13.897 1.00 0.00 C ATOM 61 C GLY A 7 -13.695 0.772 -12.522 1.00 0.00 C ATOM 62 O GLY A 7 -13.947 1.422 -11.507 1.00 0.00 O ATOM 0 H GLY A 7 -16.014 1.343 -13.391 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.754 0.595 -14.654 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.319 2.192 -14.079 1.00 0.00 H new ATOM 66 N TYR A 8 -13.171 -0.448 -12.489 1.00 0.00 N ATOM 67 CA TYR A 8 -12.855 -1.110 -11.229 1.00 0.00 C ATOM 68 C TYR A 8 -11.710 -0.400 -10.512 1.00 0.00 C ATOM 69 O TYR A 8 -10.538 -0.679 -10.763 1.00 0.00 O ATOM 70 CB TYR A 8 -12.487 -2.574 -11.475 1.00 0.00 C ATOM 71 CG TYR A 8 -13.686 -3.481 -11.633 1.00 0.00 C ATOM 72 CD1 TYR A 8 -14.524 -3.372 -12.735 1.00 0.00 C ATOM 73 CD2 TYR A 8 -13.981 -4.447 -10.678 1.00 0.00 C ATOM 74 CE1 TYR A 8 -15.621 -4.199 -12.883 1.00 0.00 C ATOM 75 CE2 TYR A 8 -15.075 -5.279 -10.819 1.00 0.00 C ATOM 76 CZ TYR A 8 -15.892 -5.150 -11.922 1.00 0.00 C ATOM 77 OH TYR A 8 -16.984 -5.976 -12.065 1.00 0.00 O ATOM 0 H TYR A 8 -12.956 -0.999 -13.320 1.00 0.00 H new ATOM 0 HA TYR A 8 -13.740 -1.067 -10.594 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -11.872 -2.639 -12.372 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -11.878 -2.931 -10.644 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -14.315 -2.628 -13.489 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -13.345 -4.549 -9.811 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -16.262 -4.101 -13.746 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -15.289 -6.026 -10.069 1.00 0.00 H new ATOM 0 HH TYR A 8 -17.032 -6.590 -11.302 1.00 0.00 H new ATOM 87 N SER A 9 -12.060 0.520 -9.618 1.00 0.00 N ATOM 88 CA SER A 9 -11.063 1.273 -8.866 1.00 0.00 C ATOM 89 C SER A 9 -10.516 0.445 -7.708 1.00 0.00 C ATOM 90 O SER A 9 -11.076 0.444 -6.611 1.00 0.00 O ATOM 91 CB SER A 9 -11.669 2.574 -8.337 1.00 0.00 C ATOM 92 OG SER A 9 -10.820 3.179 -7.377 1.00 0.00 O ATOM 0 H SER A 9 -13.026 0.762 -9.397 1.00 0.00 H new ATOM 0 HA SER A 9 -10.239 1.511 -9.539 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.837 3.263 -9.164 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.642 2.370 -7.890 1.00 0.00 H new ATOM 0 HG SER A 9 -11.229 4.009 -7.056 1.00 0.00 H new ATOM 98 N VAL A 10 -9.418 -0.260 -7.959 1.00 0.00 N ATOM 99 CA VAL A 10 -8.793 -1.092 -6.938 1.00 0.00 C ATOM 100 C VAL A 10 -7.532 -0.435 -6.389 1.00 0.00 C ATOM 101 O VAL A 10 -6.523 -0.322 -7.087 1.00 0.00 O ATOM 102 CB VAL A 10 -8.434 -2.484 -7.491 1.00 0.00 C ATOM 103 CG1 VAL A 10 -9.607 -3.440 -7.334 1.00 0.00 C ATOM 104 CG2 VAL A 10 -8.008 -2.385 -8.948 1.00 0.00 C ATOM 0 H VAL A 10 -8.942 -0.272 -8.861 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.520 -1.205 -6.134 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.595 -2.878 -6.917 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.335 -4.418 -7.730 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.861 -3.534 -6.278 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -10.467 -3.054 -7.881 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.758 -3.378 -9.322 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.825 -1.970 -9.538 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -7.136 -1.737 -9.029 1.00 0.00 H new ATOM 114 N LYS A 11 -7.595 -0.002 -5.135 1.00 0.00 N ATOM 115 CA LYS A 11 -6.457 0.643 -4.489 1.00 0.00 C ATOM 116 C LYS A 11 -5.758 -0.317 -3.533 1.00 0.00 C ATOM 117 O LYS A 11 -6.409 -1.078 -2.816 1.00 0.00 O ATOM 118 CB LYS A 11 -6.915 1.892 -3.732 1.00 0.00 C ATOM 119 CG LYS A 11 -5.834 2.949 -3.592 1.00 0.00 C ATOM 120 CD LYS A 11 -5.571 3.655 -4.912 1.00 0.00 C ATOM 121 CE LYS A 11 -4.264 4.433 -4.877 1.00 0.00 C ATOM 122 NZ LYS A 11 -4.133 5.349 -6.044 1.00 0.00 N ATOM 0 H LYS A 11 -8.423 -0.086 -4.545 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.748 0.935 -5.264 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.771 2.326 -4.249 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.256 1.600 -2.739 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.133 3.680 -2.841 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.914 2.485 -3.237 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.538 2.922 -5.718 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.394 4.334 -5.133 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.210 5.010 -3.954 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.426 3.736 -4.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.230 5.861 -5.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.159 4.796 -6.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.918 6.031 -6.040 1.00 0.00 H new ATOM 136 N TRP A 12 -4.431 -0.275 -3.525 1.00 0.00 N ATOM 137 CA TRP A 12 -3.644 -1.141 -2.654 1.00 0.00 C ATOM 138 C TRP A 12 -3.433 -0.494 -1.290 1.00 0.00 C ATOM 139 O TRP A 12 -3.235 0.717 -1.189 1.00 0.00 O ATOM 140 CB TRP A 12 -2.292 -1.454 -3.299 1.00 0.00 C ATOM 141 CG TRP A 12 -2.360 -2.549 -4.320 1.00 0.00 C ATOM 142 CD1 TRP A 12 -3.218 -2.629 -5.380 1.00 0.00 C ATOM 143 CD2 TRP A 12 -1.539 -3.720 -4.376 1.00 0.00 C ATOM 144 NE1 TRP A 12 -2.980 -3.780 -6.091 1.00 0.00 N ATOM 145 CE2 TRP A 12 -1.954 -4.466 -5.497 1.00 0.00 C ATOM 146 CE3 TRP A 12 -0.493 -4.211 -3.591 1.00 0.00 C ATOM 147 CZ2 TRP A 12 -1.359 -5.675 -5.848 1.00 0.00 C ATOM 148 CZ3 TRP A 12 0.097 -5.411 -3.941 1.00 0.00 C ATOM 149 CH2 TRP A 12 -0.336 -6.132 -5.061 1.00 0.00 C ATOM 0 H TRP A 12 -3.877 0.349 -4.111 1.00 0.00 H new ATOM 0 HA TRP A 12 -4.195 -2.071 -2.513 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.905 -0.551 -3.771 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -1.583 -1.736 -2.521 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -3.972 -1.895 -5.623 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -3.485 -4.076 -6.926 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -0.151 -3.663 -2.726 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -1.693 -6.233 -6.711 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 0.906 -5.799 -3.340 1.00 0.00 H new ATOM 0 HH2 TRP A 12 0.146 -7.066 -5.309 1.00 0.00 H new ATOM 160 N THR A 13 -3.475 -1.309 -0.240 1.00 0.00 N ATOM 161 CA THR A 13 -3.290 -0.815 1.118 1.00 0.00 C ATOM 162 C THR A 13 -1.849 -1.004 1.580 1.00 0.00 C ATOM 163 O THR A 13 -1.118 -1.834 1.039 1.00 0.00 O ATOM 164 CB THR A 13 -4.231 -1.527 2.108 1.00 0.00 C ATOM 165 OG1 THR A 13 -4.081 -2.947 1.992 1.00 0.00 O ATOM 166 CG2 THR A 13 -5.680 -1.142 1.849 1.00 0.00 C ATOM 0 H THR A 13 -3.636 -2.314 -0.305 1.00 0.00 H new ATOM 0 HA THR A 13 -3.528 0.249 1.102 1.00 0.00 H new ATOM 0 HB THR A 13 -3.964 -1.215 3.118 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.681 -3.392 2.626 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.326 -1.657 2.560 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.797 -0.065 1.967 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.957 -1.428 0.834 1.00 0.00 H new ATOM 174 N ILE A 14 -1.448 -0.230 2.582 1.00 0.00 N ATOM 175 CA ILE A 14 -0.094 -0.313 3.117 1.00 0.00 C ATOM 176 C ILE A 14 0.236 -1.736 3.555 1.00 0.00 C ATOM 177 O ILE A 14 1.266 -2.290 3.171 1.00 0.00 O ATOM 178 CB ILE A 14 0.098 0.638 4.312 1.00 0.00 C ATOM 179 CG1 ILE A 14 -0.008 2.094 3.856 1.00 0.00 C ATOM 180 CG2 ILE A 14 1.441 0.384 4.981 1.00 0.00 C ATOM 181 CD1 ILE A 14 -1.433 2.567 3.671 1.00 0.00 C ATOM 0 H ILE A 14 -2.041 0.462 3.040 1.00 0.00 H new ATOM 0 HA ILE A 14 0.582 -0.016 2.315 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.691 0.446 5.039 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.486 2.733 4.588 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.530 2.212 2.916 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.562 1.064 5.824 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.481 -0.646 5.337 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.243 0.551 4.262 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.432 3.608 3.347 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.925 1.953 2.917 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.970 2.482 4.616 1.00 0.00 H new ATOM 193 N GLU A 15 -0.645 -2.321 4.360 1.00 0.00 N ATOM 194 CA GLU A 15 -0.446 -3.681 4.850 1.00 0.00 C ATOM 195 C GLU A 15 -0.213 -4.647 3.692 1.00 0.00 C ATOM 196 O GLU A 15 0.316 -5.742 3.882 1.00 0.00 O ATOM 197 CB GLU A 15 -1.656 -4.133 5.670 1.00 0.00 C ATOM 198 CG GLU A 15 -1.395 -5.374 6.507 1.00 0.00 C ATOM 199 CD GLU A 15 -0.214 -5.208 7.443 1.00 0.00 C ATOM 200 OE1 GLU A 15 -0.338 -4.445 8.424 1.00 0.00 O ATOM 201 OE2 GLU A 15 0.834 -5.839 7.195 1.00 0.00 O ATOM 0 H GLU A 15 -1.503 -1.876 4.687 1.00 0.00 H new ATOM 0 HA GLU A 15 0.438 -3.685 5.488 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.963 -3.320 6.327 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.489 -4.329 4.995 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.286 -5.609 7.090 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.214 -6.222 5.846 1.00 0.00 H new ATOM 208 N GLU A 16 -0.612 -4.233 2.494 1.00 0.00 N ATOM 209 CA GLU A 16 -0.448 -5.063 1.306 1.00 0.00 C ATOM 210 C GLU A 16 0.851 -4.723 0.580 1.00 0.00 C ATOM 211 O GLU A 16 1.621 -5.610 0.213 1.00 0.00 O ATOM 212 CB GLU A 16 -1.637 -4.880 0.360 1.00 0.00 C ATOM 213 CG GLU A 16 -2.919 -5.522 0.862 1.00 0.00 C ATOM 214 CD GLU A 16 -2.906 -7.033 0.726 1.00 0.00 C ATOM 215 OE1 GLU A 16 -3.030 -7.526 -0.415 1.00 0.00 O ATOM 216 OE2 GLU A 16 -2.774 -7.721 1.759 1.00 0.00 O ATOM 0 H GLU A 16 -1.051 -3.329 2.320 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.404 -6.104 1.625 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.809 -3.814 0.209 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.385 -5.303 -0.612 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.069 -5.256 1.908 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.765 -5.118 0.306 1.00 0.00 H new ATOM 223 N LYS A 17 1.087 -3.431 0.376 1.00 0.00 N ATOM 224 CA LYS A 17 2.291 -2.971 -0.305 1.00 0.00 C ATOM 225 C LYS A 17 3.543 -3.488 0.396 1.00 0.00 C ATOM 226 O LYS A 17 4.577 -3.698 -0.236 1.00 0.00 O ATOM 227 CB LYS A 17 2.318 -1.442 -0.360 1.00 0.00 C ATOM 228 CG LYS A 17 1.125 -0.838 -1.079 1.00 0.00 C ATOM 229 CD LYS A 17 0.782 0.538 -0.533 1.00 0.00 C ATOM 230 CE LYS A 17 0.156 1.421 -1.601 1.00 0.00 C ATOM 231 NZ LYS A 17 1.135 1.789 -2.661 1.00 0.00 N ATOM 0 H LYS A 17 0.459 -2.684 0.673 1.00 0.00 H new ATOM 0 HA LYS A 17 2.277 -3.364 -1.321 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.355 -1.051 0.657 1.00 0.00 H new ATOM 0 HB3 LYS A 17 3.233 -1.121 -0.858 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.341 -0.764 -2.145 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.263 -1.497 -0.973 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.094 0.436 0.306 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.684 1.014 -0.149 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.689 0.901 -2.052 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.236 2.327 -1.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.824 2.662 -3.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.070 1.942 -2.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.196 1.020 -3.359 1.00 0.00 H new ATOM 245 N GLU A 18 3.441 -3.691 1.706 1.00 0.00 N ATOM 246 CA GLU A 18 4.567 -4.184 2.492 1.00 0.00 C ATOM 247 C GLU A 18 4.798 -5.670 2.238 1.00 0.00 C ATOM 248 O GLU A 18 5.939 -6.132 2.182 1.00 0.00 O ATOM 249 CB GLU A 18 4.321 -3.942 3.983 1.00 0.00 C ATOM 250 CG GLU A 18 3.258 -4.850 4.579 1.00 0.00 C ATOM 251 CD GLU A 18 3.833 -6.147 5.116 1.00 0.00 C ATOM 252 OE1 GLU A 18 4.949 -6.520 4.697 1.00 0.00 O ATOM 253 OE2 GLU A 18 3.167 -6.788 5.955 1.00 0.00 O ATOM 0 H GLU A 18 2.592 -3.522 2.245 1.00 0.00 H new ATOM 0 HA GLU A 18 5.459 -3.638 2.185 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.256 -4.086 4.525 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.024 -2.904 4.130 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.745 -4.323 5.384 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.510 -5.076 3.819 1.00 0.00 H new ATOM 260 N LEU A 19 3.709 -6.415 2.085 1.00 0.00 N ATOM 261 CA LEU A 19 3.792 -7.850 1.837 1.00 0.00 C ATOM 262 C LEU A 19 4.317 -8.131 0.433 1.00 0.00 C ATOM 263 O LEU A 19 5.113 -9.048 0.228 1.00 0.00 O ATOM 264 CB LEU A 19 2.419 -8.500 2.019 1.00 0.00 C ATOM 265 CG LEU A 19 1.948 -8.681 3.463 1.00 0.00 C ATOM 266 CD1 LEU A 19 0.438 -8.851 3.515 1.00 0.00 C ATOM 267 CD2 LEU A 19 2.644 -9.872 4.105 1.00 0.00 C ATOM 0 H LEU A 19 2.758 -6.049 2.128 1.00 0.00 H new ATOM 0 HA LEU A 19 4.488 -8.278 2.558 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.681 -7.897 1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.436 -9.478 1.538 1.00 0.00 H new ATOM 0 HG LEU A 19 2.211 -7.785 4.026 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.122 -8.978 4.550 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.042 -7.967 3.095 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.151 -9.729 2.937 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.297 -9.986 5.132 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.413 -10.776 3.541 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.722 -9.709 4.102 1.00 0.00 H new ATOM 279 N PHE A 20 3.868 -7.334 -0.531 1.00 0.00 N ATOM 280 CA PHE A 20 4.294 -7.496 -1.917 1.00 0.00 C ATOM 281 C PHE A 20 5.815 -7.435 -2.029 1.00 0.00 C ATOM 282 O PHE A 20 6.447 -8.362 -2.533 1.00 0.00 O ATOM 283 CB PHE A 20 3.663 -6.415 -2.796 1.00 0.00 C ATOM 284 CG PHE A 20 4.430 -6.146 -4.059 1.00 0.00 C ATOM 285 CD1 PHE A 20 4.158 -6.860 -5.215 1.00 0.00 C ATOM 286 CD2 PHE A 20 5.422 -5.179 -4.091 1.00 0.00 C ATOM 287 CE1 PHE A 20 4.863 -6.615 -6.379 1.00 0.00 C ATOM 288 CE2 PHE A 20 6.129 -4.930 -5.251 1.00 0.00 C ATOM 289 CZ PHE A 20 5.849 -5.648 -6.397 1.00 0.00 C ATOM 0 H PHE A 20 3.210 -6.570 -0.378 1.00 0.00 H new ATOM 0 HA PHE A 20 3.961 -8.475 -2.262 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.647 -6.715 -3.054 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.587 -5.491 -2.223 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.387 -7.616 -5.207 1.00 0.00 H new ATOM 0 HD2 PHE A 20 5.645 -4.613 -3.198 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.643 -7.179 -7.273 1.00 0.00 H new ATOM 0 HE2 PHE A 20 6.900 -4.174 -5.262 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.400 -5.454 -7.305 1.00 0.00 H new ATOM 299 N GLU A 21 6.393 -6.336 -1.556 1.00 0.00 N ATOM 300 CA GLU A 21 7.839 -6.153 -1.604 1.00 0.00 C ATOM 301 C GLU A 21 8.558 -7.318 -0.930 1.00 0.00 C ATOM 302 O GLU A 21 9.463 -7.920 -1.508 1.00 0.00 O ATOM 303 CB GLU A 21 8.233 -4.838 -0.929 1.00 0.00 C ATOM 304 CG GLU A 21 8.263 -3.651 -1.878 1.00 0.00 C ATOM 305 CD GLU A 21 8.558 -2.344 -1.169 1.00 0.00 C ATOM 306 OE1 GLU A 21 9.710 -2.157 -0.723 1.00 0.00 O ATOM 307 OE2 GLU A 21 7.637 -1.508 -1.060 1.00 0.00 O ATOM 0 H GLU A 21 5.883 -5.559 -1.135 1.00 0.00 H new ATOM 0 HA GLU A 21 8.139 -6.119 -2.651 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.531 -4.629 -0.122 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.217 -4.954 -0.474 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.019 -3.823 -2.645 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.303 -3.574 -2.388 1.00 0.00 H new ATOM 314 N GLN A 22 8.148 -7.629 0.295 1.00 0.00 N ATOM 315 CA GLN A 22 8.753 -8.721 1.048 1.00 0.00 C ATOM 316 C GLN A 22 9.025 -9.920 0.146 1.00 0.00 C ATOM 317 O GLN A 22 10.155 -10.396 0.053 1.00 0.00 O ATOM 318 CB GLN A 22 7.844 -9.135 2.207 1.00 0.00 C ATOM 319 CG GLN A 22 8.106 -8.365 3.491 1.00 0.00 C ATOM 320 CD GLN A 22 7.726 -9.151 4.731 1.00 0.00 C ATOM 321 OE1 GLN A 22 8.562 -9.406 5.598 1.00 0.00 O ATOM 322 NE2 GLN A 22 6.460 -9.539 4.821 1.00 0.00 N ATOM 0 H GLN A 22 7.400 -7.141 0.787 1.00 0.00 H new ATOM 0 HA GLN A 22 9.703 -8.369 1.449 1.00 0.00 H new ATOM 0 HB2 GLN A 22 6.805 -8.990 1.912 1.00 0.00 H new ATOM 0 HB3 GLN A 22 7.976 -10.200 2.399 1.00 0.00 H new ATOM 0 HG2 GLN A 22 9.162 -8.101 3.543 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.544 -7.431 3.471 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.801 -9.305 4.078 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.146 -10.071 5.633 1.00 0.00 H new ATOM 331 N GLY A 23 7.979 -10.405 -0.517 1.00 0.00 N ATOM 332 CA GLY A 23 8.126 -11.544 -1.403 1.00 0.00 C ATOM 333 C GLY A 23 8.901 -11.205 -2.661 1.00 0.00 C ATOM 334 O GLY A 23 9.618 -12.047 -3.203 1.00 0.00 O ATOM 0 H GLY A 23 7.033 -10.029 -0.456 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.634 -12.349 -0.873 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.139 -11.916 -1.677 1.00 0.00 H new ATOM 338 N LEU A 24 8.758 -9.970 -3.127 1.00 0.00 N ATOM 339 CA LEU A 24 9.449 -9.521 -4.331 1.00 0.00 C ATOM 340 C LEU A 24 10.960 -9.664 -4.176 1.00 0.00 C ATOM 341 O LEU A 24 11.660 -10.025 -5.121 1.00 0.00 O ATOM 342 CB LEU A 24 9.092 -8.066 -4.636 1.00 0.00 C ATOM 343 CG LEU A 24 9.617 -7.509 -5.960 1.00 0.00 C ATOM 344 CD1 LEU A 24 8.679 -7.871 -7.101 1.00 0.00 C ATOM 345 CD2 LEU A 24 9.793 -6.000 -5.871 1.00 0.00 C ATOM 0 H LEU A 24 8.170 -9.261 -2.690 1.00 0.00 H new ATOM 0 HA LEU A 24 9.126 -10.149 -5.161 1.00 0.00 H new ATOM 0 HB2 LEU A 24 8.006 -7.970 -4.630 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.472 -7.442 -3.827 1.00 0.00 H new ATOM 0 HG LEU A 24 10.590 -7.958 -6.160 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.069 -7.466 -8.035 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.603 -8.956 -7.179 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.692 -7.451 -6.908 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.167 -5.621 -6.822 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.833 -5.534 -5.647 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.505 -5.763 -5.080 1.00 0.00 H new ATOM 357 N ALA A 25 11.456 -9.379 -2.976 1.00 0.00 N ATOM 358 CA ALA A 25 12.883 -9.480 -2.696 1.00 0.00 C ATOM 359 C ALA A 25 13.288 -10.924 -2.422 1.00 0.00 C ATOM 360 O ALA A 25 14.341 -11.380 -2.867 1.00 0.00 O ATOM 361 CB ALA A 25 13.253 -8.593 -1.516 1.00 0.00 C ATOM 0 H ALA A 25 10.891 -9.076 -2.183 1.00 0.00 H new ATOM 0 HA ALA A 25 13.426 -9.139 -3.577 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.321 -8.678 -1.318 1.00 0.00 H new ATOM 0 HB2 ALA A 25 13.009 -7.557 -1.749 1.00 0.00 H new ATOM 0 HB3 ALA A 25 12.694 -8.908 -0.635 1.00 0.00 H new ATOM 367 N LYS A 26 12.445 -11.641 -1.685 1.00 0.00 N ATOM 368 CA LYS A 26 12.714 -13.034 -1.352 1.00 0.00 C ATOM 369 C LYS A 26 12.510 -13.934 -2.566 1.00 0.00 C ATOM 370 O LYS A 26 13.454 -14.550 -3.061 1.00 0.00 O ATOM 371 CB LYS A 26 11.807 -13.491 -0.207 1.00 0.00 C ATOM 372 CG LYS A 26 12.250 -14.792 0.439 1.00 0.00 C ATOM 373 CD LYS A 26 11.635 -15.996 -0.253 1.00 0.00 C ATOM 374 CE LYS A 26 12.392 -17.274 0.074 1.00 0.00 C ATOM 375 NZ LYS A 26 11.790 -18.462 -0.592 1.00 0.00 N ATOM 0 H LYS A 26 11.569 -11.279 -1.307 1.00 0.00 H new ATOM 0 HA LYS A 26 13.754 -13.111 -1.036 1.00 0.00 H new ATOM 0 HB2 LYS A 26 11.775 -12.710 0.553 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.792 -13.610 -0.585 1.00 0.00 H new ATOM 0 HG2 LYS A 26 13.337 -14.866 0.402 1.00 0.00 H new ATOM 0 HG3 LYS A 26 11.966 -14.792 1.491 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.594 -16.100 0.053 1.00 0.00 H new ATOM 0 HD3 LYS A 26 11.636 -15.837 -1.331 1.00 0.00 H new ATOM 0 HE2 LYS A 26 13.431 -17.170 -0.238 1.00 0.00 H new ATOM 0 HE3 LYS A 26 12.397 -17.427 1.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 12.335 -19.312 -0.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.806 -18.576 -0.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.808 -18.328 -1.623 1.00 0.00 H new ATOM 389 N PHE A 27 11.272 -14.003 -3.044 1.00 0.00 N ATOM 390 CA PHE A 27 10.944 -14.827 -4.202 1.00 0.00 C ATOM 391 C PHE A 27 11.508 -14.216 -5.481 1.00 0.00 C ATOM 392 O PHE A 27 11.814 -14.926 -6.438 1.00 0.00 O ATOM 393 CB PHE A 27 9.427 -14.990 -4.326 1.00 0.00 C ATOM 394 CG PHE A 27 8.871 -16.094 -3.473 1.00 0.00 C ATOM 395 CD1 PHE A 27 9.261 -17.408 -3.677 1.00 0.00 C ATOM 396 CD2 PHE A 27 7.958 -15.818 -2.468 1.00 0.00 C ATOM 397 CE1 PHE A 27 8.750 -18.426 -2.894 1.00 0.00 C ATOM 398 CE2 PHE A 27 7.444 -16.832 -1.682 1.00 0.00 C ATOM 399 CZ PHE A 27 7.841 -18.137 -1.894 1.00 0.00 C ATOM 0 H PHE A 27 10.479 -13.498 -2.647 1.00 0.00 H new ATOM 0 HA PHE A 27 11.397 -15.808 -4.059 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.945 -14.052 -4.051 1.00 0.00 H new ATOM 0 HB3 PHE A 27 9.175 -15.185 -5.368 1.00 0.00 H new ATOM 0 HD1 PHE A 27 9.972 -17.639 -4.456 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.644 -14.799 -2.297 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.061 -19.446 -3.064 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.732 -16.604 -0.902 1.00 0.00 H new ATOM 0 HZ PHE A 27 7.442 -18.931 -1.280 1.00 0.00 H new ATOM 409 N GLY A 28 11.642 -12.894 -5.489 1.00 0.00 N ATOM 410 CA GLY A 28 12.167 -12.208 -6.656 1.00 0.00 C ATOM 411 C GLY A 28 11.081 -11.537 -7.473 1.00 0.00 C ATOM 412 O GLY A 28 10.254 -10.802 -6.933 1.00 0.00 O ATOM 0 H GLY A 28 11.397 -12.285 -4.708 1.00 0.00 H new ATOM 0 HA2 GLY A 28 12.892 -11.459 -6.337 1.00 0.00 H new ATOM 0 HA3 GLY A 28 12.700 -12.922 -7.284 1.00 0.00 H new ATOM 416 N ARG A 29 11.083 -11.789 -8.778 1.00 0.00 N ATOM 417 CA ARG A 29 10.092 -11.201 -9.671 1.00 0.00 C ATOM 418 C ARG A 29 8.943 -12.173 -9.922 1.00 0.00 C ATOM 419 O ARG A 29 8.200 -12.033 -10.894 1.00 0.00 O ATOM 420 CB ARG A 29 10.741 -10.808 -10.999 1.00 0.00 C ATOM 421 CG ARG A 29 11.450 -9.464 -10.956 1.00 0.00 C ATOM 422 CD ARG A 29 11.863 -9.007 -12.346 1.00 0.00 C ATOM 423 NE ARG A 29 13.194 -9.487 -12.707 1.00 0.00 N ATOM 424 CZ ARG A 29 13.936 -8.944 -13.667 1.00 0.00 C ATOM 425 NH1 ARG A 29 13.479 -7.909 -14.357 1.00 0.00 N ATOM 426 NH2 ARG A 29 15.138 -9.437 -13.936 1.00 0.00 N ATOM 0 H ARG A 29 11.760 -12.396 -9.240 1.00 0.00 H new ATOM 0 HA ARG A 29 9.692 -10.308 -9.192 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.457 -11.578 -11.286 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.975 -10.781 -11.774 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.793 -8.719 -10.507 1.00 0.00 H new ATOM 0 HG3 ARG A 29 12.331 -9.537 -10.319 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.138 -9.366 -13.076 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.846 -7.918 -12.389 1.00 0.00 H new ATOM 0 HE ARG A 29 13.575 -10.282 -12.195 1.00 0.00 H new ATOM 0 HH11 ARG A 29 12.556 -7.527 -14.152 1.00 0.00 H new ATOM 0 HH12 ARG A 29 14.051 -7.494 -15.093 1.00 0.00 H new ATOM 0 HH21 ARG A 29 15.493 -10.233 -13.406 1.00 0.00 H new ATOM 0 HH22 ARG A 29 15.707 -9.020 -14.673 1.00 0.00 H new ATOM 440 N ARG A 30 8.804 -13.157 -9.040 1.00 0.00 N ATOM 441 CA ARG A 30 7.746 -14.153 -9.167 1.00 0.00 C ATOM 442 C ARG A 30 6.413 -13.596 -8.678 1.00 0.00 C ATOM 443 O ARG A 30 6.206 -13.419 -7.477 1.00 0.00 O ATOM 444 CB ARG A 30 8.106 -15.413 -8.378 1.00 0.00 C ATOM 445 CG ARG A 30 9.112 -16.308 -9.084 1.00 0.00 C ATOM 446 CD ARG A 30 10.541 -15.901 -8.761 1.00 0.00 C ATOM 447 NE ARG A 30 11.459 -16.213 -9.854 1.00 0.00 N ATOM 448 CZ ARG A 30 11.407 -15.629 -11.045 1.00 0.00 C ATOM 449 NH1 ARG A 30 10.487 -14.707 -11.297 1.00 0.00 N ATOM 450 NH2 ARG A 30 12.277 -15.965 -11.989 1.00 0.00 N ATOM 0 H ARG A 30 9.410 -13.286 -8.230 1.00 0.00 H new ATOM 0 HA ARG A 30 7.647 -14.409 -10.222 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.510 -15.121 -7.409 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.197 -15.983 -8.186 1.00 0.00 H new ATOM 0 HG2 ARG A 30 8.951 -17.344 -8.786 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.953 -16.258 -10.161 1.00 0.00 H new ATOM 0 HD2 ARG A 30 10.575 -14.832 -8.553 1.00 0.00 H new ATOM 0 HD3 ARG A 30 10.868 -16.413 -7.856 1.00 0.00 H new ATOM 0 HE ARG A 30 12.179 -16.918 -9.693 1.00 0.00 H new ATOM 0 HH11 ARG A 30 9.817 -14.445 -10.574 1.00 0.00 H new ATOM 0 HH12 ARG A 30 10.450 -14.260 -12.213 1.00 0.00 H new ATOM 0 HH21 ARG A 30 12.987 -16.673 -11.800 1.00 0.00 H new ATOM 0 HH22 ARG A 30 12.236 -15.516 -12.904 1.00 0.00 H new ATOM 464 N TRP A 31 5.513 -13.320 -9.614 1.00 0.00 N ATOM 465 CA TRP A 31 4.200 -12.783 -9.278 1.00 0.00 C ATOM 466 C TRP A 31 3.321 -13.852 -8.637 1.00 0.00 C ATOM 467 O TRP A 31 2.474 -13.552 -7.796 1.00 0.00 O ATOM 468 CB TRP A 31 3.517 -12.227 -10.529 1.00 0.00 C ATOM 469 CG TRP A 31 4.421 -11.378 -11.371 1.00 0.00 C ATOM 470 CD1 TRP A 31 4.602 -11.463 -12.722 1.00 0.00 C ATOM 471 CD2 TRP A 31 5.268 -10.316 -10.916 1.00 0.00 C ATOM 472 NE1 TRP A 31 5.510 -10.518 -13.135 1.00 0.00 N ATOM 473 CE2 TRP A 31 5.933 -9.801 -12.046 1.00 0.00 C ATOM 474 CE3 TRP A 31 5.527 -9.749 -9.666 1.00 0.00 C ATOM 475 CZ2 TRP A 31 6.841 -8.749 -11.960 1.00 0.00 C ATOM 476 CZ3 TRP A 31 6.429 -8.705 -9.582 1.00 0.00 C ATOM 477 CH2 TRP A 31 7.076 -8.213 -10.723 1.00 0.00 C ATOM 0 H TRP A 31 5.669 -13.459 -10.612 1.00 0.00 H new ATOM 0 HA TRP A 31 4.340 -11.975 -8.559 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.145 -13.057 -11.130 1.00 0.00 H new ATOM 0 HB3 TRP A 31 2.651 -11.637 -10.230 1.00 0.00 H new ATOM 0 HD1 TRP A 31 4.105 -12.169 -13.370 1.00 0.00 H new ATOM 0 HE1 TRP A 31 5.819 -10.373 -14.096 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.031 -10.120 -8.781 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 7.342 -8.370 -12.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 6.639 -8.261 -8.620 1.00 0.00 H new ATOM 0 HH2 TRP A 31 7.774 -7.395 -10.624 1.00 0.00 H new ATOM 488 N THR A 32 3.529 -15.102 -9.040 1.00 0.00 N ATOM 489 CA THR A 32 2.755 -16.215 -8.506 1.00 0.00 C ATOM 490 C THR A 32 3.071 -16.447 -7.033 1.00 0.00 C ATOM 491 O THR A 32 2.169 -16.524 -6.198 1.00 0.00 O ATOM 492 CB THR A 32 3.026 -17.514 -9.288 1.00 0.00 C ATOM 493 OG1 THR A 32 4.434 -17.768 -9.343 1.00 0.00 O ATOM 494 CG2 THR A 32 2.467 -17.421 -10.700 1.00 0.00 C ATOM 0 H THR A 32 4.227 -15.368 -9.734 1.00 0.00 H new ATOM 0 HA THR A 32 1.703 -15.949 -8.612 1.00 0.00 H new ATOM 0 HB THR A 32 2.529 -18.335 -8.770 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.598 -18.596 -9.840 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.670 -18.350 -11.234 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.390 -17.256 -10.655 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.939 -16.590 -11.224 1.00 0.00 H new ATOM 502 N LYS A 33 4.357 -16.558 -6.719 1.00 0.00 N ATOM 503 CA LYS A 33 4.794 -16.780 -5.345 1.00 0.00 C ATOM 504 C LYS A 33 4.266 -15.685 -4.423 1.00 0.00 C ATOM 505 O LYS A 33 3.734 -15.969 -3.350 1.00 0.00 O ATOM 506 CB LYS A 33 6.322 -16.828 -5.276 1.00 0.00 C ATOM 507 CG LYS A 33 6.899 -18.210 -5.532 1.00 0.00 C ATOM 508 CD LYS A 33 6.345 -18.817 -6.809 1.00 0.00 C ATOM 509 CE LYS A 33 7.304 -19.837 -7.403 1.00 0.00 C ATOM 510 NZ LYS A 33 6.761 -20.452 -8.646 1.00 0.00 N ATOM 0 H LYS A 33 5.116 -16.498 -7.398 1.00 0.00 H new ATOM 0 HA LYS A 33 4.391 -17.736 -5.011 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.732 -16.131 -6.007 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.644 -16.485 -4.293 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.985 -18.145 -5.600 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.671 -18.862 -4.689 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.388 -19.295 -6.601 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.156 -18.027 -7.536 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.256 -19.355 -7.623 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.504 -20.618 -6.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.444 -21.141 -9.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.865 -20.934 -8.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.594 -19.711 -9.356 1.00 0.00 H new ATOM 524 N ILE A 34 4.416 -14.436 -4.850 1.00 0.00 N ATOM 525 CA ILE A 34 3.953 -13.300 -4.063 1.00 0.00 C ATOM 526 C ILE A 34 2.437 -13.327 -3.900 1.00 0.00 C ATOM 527 O ILE A 34 1.923 -13.390 -2.783 1.00 0.00 O ATOM 528 CB ILE A 34 4.365 -11.963 -4.708 1.00 0.00 C ATOM 529 CG1 ILE A 34 5.887 -11.883 -4.839 1.00 0.00 C ATOM 530 CG2 ILE A 34 3.836 -10.795 -3.888 1.00 0.00 C ATOM 531 CD1 ILE A 34 6.349 -11.036 -6.004 1.00 0.00 C ATOM 0 H ILE A 34 4.854 -14.185 -5.736 1.00 0.00 H new ATOM 0 HA ILE A 34 4.424 -13.381 -3.083 1.00 0.00 H new ATOM 0 HB ILE A 34 3.930 -11.908 -5.706 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.302 -11.476 -3.917 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.287 -12.891 -4.951 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.135 -9.857 -4.356 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.748 -10.847 -3.841 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.245 -10.844 -2.879 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.438 -11.024 -6.036 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.963 -11.455 -6.934 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.978 -10.018 -5.883 1.00 0.00 H new ATOM 543 N SER A 35 1.725 -13.279 -5.022 1.00 0.00 N ATOM 544 CA SER A 35 0.267 -13.296 -5.003 1.00 0.00 C ATOM 545 C SER A 35 -0.252 -14.262 -3.943 1.00 0.00 C ATOM 546 O SER A 35 -1.183 -13.948 -3.202 1.00 0.00 O ATOM 547 CB SER A 35 -0.277 -13.690 -6.378 1.00 0.00 C ATOM 548 OG SER A 35 -0.052 -15.064 -6.641 1.00 0.00 O ATOM 0 H SER A 35 2.134 -13.228 -5.955 1.00 0.00 H new ATOM 0 HA SER A 35 -0.080 -12.293 -4.756 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.345 -13.478 -6.424 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.202 -13.086 -7.149 1.00 0.00 H new ATOM 0 HG SER A 35 0.874 -15.293 -6.415 1.00 0.00 H new ATOM 554 N LYS A 36 0.359 -15.441 -3.876 1.00 0.00 N ATOM 555 CA LYS A 36 -0.039 -16.454 -2.906 1.00 0.00 C ATOM 556 C LYS A 36 0.283 -16.004 -1.485 1.00 0.00 C ATOM 557 O LYS A 36 -0.546 -16.122 -0.582 1.00 0.00 O ATOM 558 CB LYS A 36 0.667 -17.779 -3.204 1.00 0.00 C ATOM 559 CG LYS A 36 0.107 -18.508 -4.414 1.00 0.00 C ATOM 560 CD LYS A 36 1.133 -19.449 -5.022 1.00 0.00 C ATOM 561 CE LYS A 36 1.321 -20.695 -4.170 1.00 0.00 C ATOM 562 NZ LYS A 36 0.103 -21.552 -4.165 1.00 0.00 N ATOM 0 H LYS A 36 1.131 -15.718 -4.482 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.117 -16.596 -2.988 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.728 -17.588 -3.365 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.588 -18.427 -2.331 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.778 -19.073 -4.122 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.211 -17.782 -5.162 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.815 -19.737 -6.024 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.086 -18.931 -5.126 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.167 -21.269 -4.547 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.564 -20.403 -3.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.353 -22.509 -3.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.605 -21.145 -3.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.291 -21.601 -5.126 1.00 0.00 H new ATOM 576 N LEU A 37 1.491 -15.485 -1.293 1.00 0.00 N ATOM 577 CA LEU A 37 1.922 -15.015 0.019 1.00 0.00 C ATOM 578 C LEU A 37 0.907 -14.041 0.609 1.00 0.00 C ATOM 579 O LEU A 37 0.580 -14.111 1.794 1.00 0.00 O ATOM 580 CB LEU A 37 3.292 -14.342 -0.083 1.00 0.00 C ATOM 581 CG LEU A 37 3.812 -13.681 1.194 1.00 0.00 C ATOM 582 CD1 LEU A 37 4.337 -14.730 2.162 1.00 0.00 C ATOM 583 CD2 LEU A 37 4.898 -12.666 0.865 1.00 0.00 C ATOM 0 H LEU A 37 2.189 -15.379 -2.029 1.00 0.00 H new ATOM 0 HA LEU A 37 1.997 -15.878 0.680 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.018 -15.089 -0.403 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.246 -13.586 -0.867 1.00 0.00 H new ATOM 0 HG LEU A 37 2.984 -13.157 1.672 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.703 -14.241 3.065 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.534 -15.419 2.423 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.151 -15.283 1.693 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.256 -12.205 1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.726 -13.168 0.364 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.490 -11.897 0.209 1.00 0.00 H new ATOM 595 N ILE A 38 0.411 -13.134 -0.226 1.00 0.00 N ATOM 596 CA ILE A 38 -0.569 -12.148 0.212 1.00 0.00 C ATOM 597 C ILE A 38 -1.955 -12.771 0.343 1.00 0.00 C ATOM 598 O ILE A 38 -2.634 -12.594 1.354 1.00 0.00 O ATOM 599 CB ILE A 38 -0.644 -10.957 -0.762 1.00 0.00 C ATOM 600 CG1 ILE A 38 0.735 -10.315 -0.924 1.00 0.00 C ATOM 601 CG2 ILE A 38 -1.657 -9.934 -0.270 1.00 0.00 C ATOM 602 CD1 ILE A 38 0.851 -9.433 -2.148 1.00 0.00 C ATOM 0 H ILE A 38 0.672 -13.062 -1.209 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.241 -11.789 1.187 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.970 -11.322 -1.736 1.00 0.00 H new ATOM 0 HG12 ILE A 38 0.957 -9.722 -0.037 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.488 -11.101 -0.980 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.699 -9.098 -0.969 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.640 -10.399 -0.202 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.359 -9.570 0.713 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.855 -9.011 -2.199 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.660 -10.026 -3.043 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.121 -8.626 -2.085 1.00 0.00 H new ATOM 614 N GLY A 39 -2.368 -13.504 -0.686 1.00 0.00 N ATOM 615 CA GLY A 39 -3.670 -14.145 -0.666 1.00 0.00 C ATOM 616 C GLY A 39 -4.792 -13.190 -1.024 1.00 0.00 C ATOM 617 O GLY A 39 -5.721 -13.555 -1.743 1.00 0.00 O ATOM 0 H GLY A 39 -1.824 -13.666 -1.534 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.671 -14.981 -1.366 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.852 -14.560 0.325 1.00 0.00 H new ATOM 621 N SER A 40 -4.706 -11.963 -0.520 1.00 0.00 N ATOM 622 CA SER A 40 -5.724 -10.954 -0.786 1.00 0.00 C ATOM 623 C SER A 40 -5.785 -10.623 -2.274 1.00 0.00 C ATOM 624 O SER A 40 -6.857 -10.634 -2.880 1.00 0.00 O ATOM 625 CB SER A 40 -5.438 -9.685 0.019 1.00 0.00 C ATOM 626 OG SER A 40 -5.846 -9.834 1.368 1.00 0.00 O ATOM 0 H SER A 40 -3.941 -11.644 0.075 1.00 0.00 H new ATOM 0 HA SER A 40 -6.689 -11.359 -0.481 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.372 -9.459 -0.019 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.959 -8.840 -0.431 1.00 0.00 H new ATOM 0 HG SER A 40 -5.651 -9.010 1.862 1.00 0.00 H new ATOM 632 N ARG A 41 -4.627 -10.329 -2.856 1.00 0.00 N ATOM 633 CA ARG A 41 -4.547 -9.994 -4.273 1.00 0.00 C ATOM 634 C ARG A 41 -4.399 -11.253 -5.122 1.00 0.00 C ATOM 635 O ARG A 41 -4.244 -12.356 -4.597 1.00 0.00 O ATOM 636 CB ARG A 41 -3.370 -9.051 -4.530 1.00 0.00 C ATOM 637 CG ARG A 41 -3.383 -7.809 -3.655 1.00 0.00 C ATOM 638 CD ARG A 41 -4.589 -6.931 -3.951 1.00 0.00 C ATOM 639 NE ARG A 41 -4.755 -5.875 -2.955 1.00 0.00 N ATOM 640 CZ ARG A 41 -5.651 -4.900 -3.060 1.00 0.00 C ATOM 641 NH1 ARG A 41 -6.459 -4.848 -4.111 1.00 0.00 N ATOM 642 NH2 ARG A 41 -5.742 -3.976 -2.113 1.00 0.00 N ATOM 0 H ARG A 41 -3.731 -10.316 -2.368 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.473 -9.493 -4.555 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.439 -9.592 -4.364 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.380 -8.748 -5.577 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.394 -8.102 -2.605 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.468 -7.239 -3.817 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.478 -6.484 -4.939 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.488 -7.547 -3.979 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.150 -5.887 -2.134 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.393 -5.558 -4.841 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.146 -4.098 -4.189 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.123 -4.013 -1.303 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.430 -3.228 -2.195 1.00 0.00 H new ATOM 656 N THR A 42 -4.449 -11.081 -6.440 1.00 0.00 N ATOM 657 CA THR A 42 -4.323 -12.202 -7.362 1.00 0.00 C ATOM 658 C THR A 42 -3.184 -11.976 -8.350 1.00 0.00 C ATOM 659 O THR A 42 -2.846 -10.837 -8.673 1.00 0.00 O ATOM 660 CB THR A 42 -5.628 -12.435 -8.146 1.00 0.00 C ATOM 661 OG1 THR A 42 -5.960 -11.266 -8.904 1.00 0.00 O ATOM 662 CG2 THR A 42 -6.772 -12.776 -7.202 1.00 0.00 C ATOM 0 H THR A 42 -4.576 -10.175 -6.892 1.00 0.00 H new ATOM 0 HA THR A 42 -4.108 -13.084 -6.759 1.00 0.00 H new ATOM 0 HB THR A 42 -5.474 -13.275 -8.824 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.790 -11.423 -9.401 1.00 0.00 H new ATOM 0 HG21 THR A 42 -7.683 -12.936 -7.778 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.529 -13.683 -6.648 1.00 0.00 H new ATOM 0 HG23 THR A 42 -6.924 -11.954 -6.503 1.00 0.00 H new ATOM 670 N VAL A 43 -2.595 -13.068 -8.828 1.00 0.00 N ATOM 671 CA VAL A 43 -1.495 -12.988 -9.781 1.00 0.00 C ATOM 672 C VAL A 43 -1.686 -11.823 -10.745 1.00 0.00 C ATOM 673 O VAL A 43 -0.748 -11.076 -11.027 1.00 0.00 O ATOM 674 CB VAL A 43 -1.358 -14.292 -10.590 1.00 0.00 C ATOM 675 CG1 VAL A 43 -0.258 -14.160 -11.632 1.00 0.00 C ATOM 676 CG2 VAL A 43 -1.087 -15.467 -9.663 1.00 0.00 C ATOM 0 H VAL A 43 -2.862 -14.018 -8.571 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.585 -12.831 -9.202 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.298 -14.478 -11.110 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.175 -15.090 -12.194 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.499 -13.344 -12.314 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.690 -13.950 -11.136 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.993 -16.380 -10.251 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.162 -15.292 -9.114 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.912 -15.572 -8.958 1.00 0.00 H new ATOM 686 N LEU A 44 -2.907 -11.673 -11.248 1.00 0.00 N ATOM 687 CA LEU A 44 -3.222 -10.597 -12.181 1.00 0.00 C ATOM 688 C LEU A 44 -3.034 -9.233 -11.524 1.00 0.00 C ATOM 689 O LEU A 44 -2.182 -8.447 -11.938 1.00 0.00 O ATOM 690 CB LEU A 44 -4.660 -10.738 -12.685 1.00 0.00 C ATOM 691 CG LEU A 44 -5.034 -12.099 -13.271 1.00 0.00 C ATOM 692 CD1 LEU A 44 -6.519 -12.151 -13.595 1.00 0.00 C ATOM 693 CD2 LEU A 44 -4.206 -12.392 -14.514 1.00 0.00 C ATOM 0 H LEU A 44 -3.694 -12.282 -11.025 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.537 -10.670 -13.026 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.337 -10.522 -11.858 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.834 -9.977 -13.446 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.818 -12.864 -12.526 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.767 -13.127 -14.011 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.096 -11.988 -12.685 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.760 -11.375 -14.322 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.486 -13.365 -14.917 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.390 -11.622 -15.263 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.148 -12.399 -14.253 1.00 0.00 H new ATOM 705 N GLN A 45 -3.833 -8.961 -10.497 1.00 0.00 N ATOM 706 CA GLN A 45 -3.752 -7.693 -9.782 1.00 0.00 C ATOM 707 C GLN A 45 -2.302 -7.330 -9.479 1.00 0.00 C ATOM 708 O GLN A 45 -1.884 -6.187 -9.667 1.00 0.00 O ATOM 709 CB GLN A 45 -4.555 -7.764 -8.482 1.00 0.00 C ATOM 710 CG GLN A 45 -6.011 -7.360 -8.644 1.00 0.00 C ATOM 711 CD GLN A 45 -6.925 -8.066 -7.661 1.00 0.00 C ATOM 712 OE1 GLN A 45 -6.757 -7.952 -6.447 1.00 0.00 O ATOM 713 NE2 GLN A 45 -7.900 -8.802 -8.182 1.00 0.00 N ATOM 0 H GLN A 45 -4.543 -9.601 -10.142 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.175 -6.917 -10.420 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -4.510 -8.781 -8.092 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -4.087 -7.117 -7.740 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -6.102 -6.282 -8.510 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -6.335 -7.583 -9.660 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -8.003 -8.869 -9.195 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -8.546 -9.300 -7.570 1.00 0.00 H new ATOM 722 N VAL A 46 -1.538 -8.311 -9.007 1.00 0.00 N ATOM 723 CA VAL A 46 -0.134 -8.095 -8.678 1.00 0.00 C ATOM 724 C VAL A 46 0.682 -7.785 -9.928 1.00 0.00 C ATOM 725 O VAL A 46 1.403 -6.789 -9.982 1.00 0.00 O ATOM 726 CB VAL A 46 0.472 -9.323 -7.974 1.00 0.00 C ATOM 727 CG1 VAL A 46 1.952 -9.104 -7.698 1.00 0.00 C ATOM 728 CG2 VAL A 46 -0.280 -9.623 -6.686 1.00 0.00 C ATOM 0 H VAL A 46 -1.868 -9.262 -8.844 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.095 -7.241 -8.001 1.00 0.00 H new ATOM 0 HB VAL A 46 0.374 -10.184 -8.635 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.363 -9.982 -7.200 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.477 -8.941 -8.639 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.077 -8.232 -7.057 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.161 -10.494 -6.201 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.215 -8.764 -6.018 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.326 -9.826 -6.914 1.00 0.00 H new ATOM 738 N LYS A 47 0.563 -8.646 -10.934 1.00 0.00 N ATOM 739 CA LYS A 47 1.288 -8.465 -12.186 1.00 0.00 C ATOM 740 C LYS A 47 1.238 -7.009 -12.638 1.00 0.00 C ATOM 741 O LYS A 47 2.259 -6.428 -13.005 1.00 0.00 O ATOM 742 CB LYS A 47 0.702 -9.368 -13.273 1.00 0.00 C ATOM 743 CG LYS A 47 1.269 -10.777 -13.264 1.00 0.00 C ATOM 744 CD LYS A 47 0.606 -11.652 -14.315 1.00 0.00 C ATOM 745 CE LYS A 47 1.353 -12.964 -14.500 1.00 0.00 C ATOM 746 NZ LYS A 47 1.198 -13.501 -15.880 1.00 0.00 N ATOM 0 H LYS A 47 -0.029 -9.476 -10.906 1.00 0.00 H new ATOM 0 HA LYS A 47 2.329 -8.739 -12.017 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.379 -9.420 -13.147 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.888 -8.917 -14.248 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.343 -10.739 -13.446 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.128 -11.221 -12.278 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.424 -11.857 -14.023 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.568 -11.117 -15.264 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.411 -12.813 -14.286 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.984 -13.696 -13.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.722 -14.395 -15.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.191 -13.670 -16.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.573 -12.814 -16.564 1.00 0.00 H new ATOM 760 N SER A 48 0.044 -6.425 -12.607 1.00 0.00 N ATOM 761 CA SER A 48 -0.139 -5.038 -13.016 1.00 0.00 C ATOM 762 C SER A 48 0.472 -4.085 -11.994 1.00 0.00 C ATOM 763 O SER A 48 1.380 -3.316 -12.311 1.00 0.00 O ATOM 764 CB SER A 48 -1.627 -4.728 -13.193 1.00 0.00 C ATOM 765 OG SER A 48 -1.853 -3.331 -13.259 1.00 0.00 O ATOM 0 H SER A 48 -0.811 -6.891 -12.303 1.00 0.00 H new ATOM 0 HA SER A 48 0.370 -4.896 -13.969 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.995 -5.202 -14.103 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.191 -5.152 -12.362 1.00 0.00 H new ATOM 0 HG SER A 48 -2.811 -3.160 -13.374 1.00 0.00 H new ATOM 771 N TYR A 49 -0.032 -4.142 -10.766 1.00 0.00 N ATOM 772 CA TYR A 49 0.461 -3.283 -9.697 1.00 0.00 C ATOM 773 C TYR A 49 1.981 -3.161 -9.753 1.00 0.00 C ATOM 774 O TYR A 49 2.528 -2.059 -9.727 1.00 0.00 O ATOM 775 CB TYR A 49 0.032 -3.831 -8.335 1.00 0.00 C ATOM 776 CG TYR A 49 0.957 -3.438 -7.205 1.00 0.00 C ATOM 777 CD1 TYR A 49 2.097 -4.180 -6.923 1.00 0.00 C ATOM 778 CD2 TYR A 49 0.691 -2.322 -6.420 1.00 0.00 C ATOM 779 CE1 TYR A 49 2.944 -3.825 -5.892 1.00 0.00 C ATOM 780 CE2 TYR A 49 1.534 -1.959 -5.387 1.00 0.00 C ATOM 781 CZ TYR A 49 2.658 -2.714 -5.127 1.00 0.00 C ATOM 782 OH TYR A 49 3.501 -2.356 -4.099 1.00 0.00 O ATOM 0 H TYR A 49 -0.782 -4.774 -10.487 1.00 0.00 H new ATOM 0 HA TYR A 49 0.030 -2.291 -9.834 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -0.974 -3.476 -8.110 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.019 -4.918 -8.390 1.00 0.00 H new ATOM 0 HD1 TYR A 49 2.325 -5.050 -7.521 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.189 -1.729 -6.621 1.00 0.00 H new ATOM 0 HE1 TYR A 49 3.825 -4.414 -5.686 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.314 -1.089 -4.787 1.00 0.00 H new ATOM 0 HH TYR A 49 4.150 -3.074 -3.943 1.00 0.00 H new ATOM 792 N ALA A 50 2.657 -4.303 -9.830 1.00 0.00 N ATOM 793 CA ALA A 50 4.113 -4.327 -9.892 1.00 0.00 C ATOM 794 C ALA A 50 4.647 -3.143 -10.692 1.00 0.00 C ATOM 795 O ALA A 50 5.643 -2.526 -10.314 1.00 0.00 O ATOM 796 CB ALA A 50 4.594 -5.636 -10.500 1.00 0.00 C ATOM 0 H ALA A 50 2.219 -5.224 -9.851 1.00 0.00 H new ATOM 0 HA ALA A 50 4.497 -4.249 -8.875 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.683 -5.640 -10.540 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.250 -6.470 -9.888 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.193 -5.738 -11.509 1.00 0.00 H new ATOM 802 N ARG A 51 3.979 -2.832 -11.798 1.00 0.00 N ATOM 803 CA ARG A 51 4.389 -1.723 -12.651 1.00 0.00 C ATOM 804 C ARG A 51 3.989 -0.386 -12.034 1.00 0.00 C ATOM 805 O ARG A 51 4.759 0.574 -12.060 1.00 0.00 O ATOM 806 CB ARG A 51 3.763 -1.863 -14.040 1.00 0.00 C ATOM 807 CG ARG A 51 3.890 -3.259 -14.627 1.00 0.00 C ATOM 808 CD ARG A 51 3.590 -3.266 -16.118 1.00 0.00 C ATOM 809 NE ARG A 51 4.771 -2.944 -16.916 1.00 0.00 N ATOM 810 CZ ARG A 51 4.773 -2.907 -18.243 1.00 0.00 C ATOM 811 NH1 ARG A 51 3.663 -3.169 -18.919 1.00 0.00 N ATOM 812 NH2 ARG A 51 5.887 -2.606 -18.898 1.00 0.00 N ATOM 0 H ARG A 51 3.152 -3.332 -12.124 1.00 0.00 H new ATOM 0 HA ARG A 51 5.475 -1.750 -12.744 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.708 -1.597 -13.982 1.00 0.00 H new ATOM 0 HB3 ARG A 51 4.235 -1.150 -14.716 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.898 -3.636 -14.456 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.205 -3.934 -14.114 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.214 -4.247 -16.407 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.800 -2.546 -16.332 1.00 0.00 H new ATOM 0 HE ARG A 51 5.642 -2.736 -16.427 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.804 -3.400 -18.420 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.668 -3.140 -19.939 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.743 -2.403 -18.382 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.887 -2.578 -19.918 1.00 0.00 H new ATOM 826 N GLN A 52 2.782 -0.332 -11.481 1.00 0.00 N ATOM 827 CA GLN A 52 2.281 0.888 -10.859 1.00 0.00 C ATOM 828 C GLN A 52 3.194 1.334 -9.722 1.00 0.00 C ATOM 829 O GLN A 52 3.530 2.513 -9.609 1.00 0.00 O ATOM 830 CB GLN A 52 0.861 0.670 -10.332 1.00 0.00 C ATOM 831 CG GLN A 52 0.019 1.936 -10.311 1.00 0.00 C ATOM 832 CD GLN A 52 -1.041 1.914 -9.228 1.00 0.00 C ATOM 833 OE1 GLN A 52 -0.779 1.509 -8.095 1.00 0.00 O ATOM 834 NE2 GLN A 52 -2.247 2.352 -9.570 1.00 0.00 N ATOM 0 H GLN A 52 2.133 -1.118 -11.451 1.00 0.00 H new ATOM 0 HA GLN A 52 2.265 1.672 -11.616 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.364 -0.077 -10.950 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.916 0.263 -9.322 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.669 2.798 -10.160 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.461 2.065 -11.281 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.420 2.679 -10.521 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.000 2.362 -8.882 1.00 0.00 H new ATOM 843 N TYR A 53 3.593 0.385 -8.883 1.00 0.00 N ATOM 844 CA TYR A 53 4.467 0.681 -7.754 1.00 0.00 C ATOM 845 C TYR A 53 5.694 1.467 -8.205 1.00 0.00 C ATOM 846 O TYR A 53 5.952 2.569 -7.721 1.00 0.00 O ATOM 847 CB TYR A 53 4.901 -0.613 -7.065 1.00 0.00 C ATOM 848 CG TYR A 53 5.995 -0.416 -6.039 1.00 0.00 C ATOM 849 CD1 TYR A 53 5.724 0.179 -4.813 1.00 0.00 C ATOM 850 CD2 TYR A 53 7.298 -0.823 -6.297 1.00 0.00 C ATOM 851 CE1 TYR A 53 6.720 0.362 -3.873 1.00 0.00 C ATOM 852 CE2 TYR A 53 8.299 -0.645 -5.362 1.00 0.00 C ATOM 853 CZ TYR A 53 8.006 -0.052 -4.152 1.00 0.00 C ATOM 854 OH TYR A 53 9.001 0.128 -3.219 1.00 0.00 O ATOM 0 H TYR A 53 3.325 -0.596 -8.963 1.00 0.00 H new ATOM 0 HA TYR A 53 3.908 1.292 -7.045 1.00 0.00 H new ATOM 0 HB2 TYR A 53 4.036 -1.064 -6.579 1.00 0.00 H new ATOM 0 HB3 TYR A 53 5.246 -1.319 -7.821 1.00 0.00 H new ATOM 0 HD1 TYR A 53 4.718 0.504 -4.591 1.00 0.00 H new ATOM 0 HD2 TYR A 53 7.532 -1.286 -7.244 1.00 0.00 H new ATOM 0 HE1 TYR A 53 6.493 0.827 -2.925 1.00 0.00 H new ATOM 0 HE2 TYR A 53 9.307 -0.969 -5.578 1.00 0.00 H new ATOM 0 HH TYR A 53 8.630 0.015 -2.319 1.00 0.00 H new ATOM 864 N PHE A 54 6.447 0.892 -9.137 1.00 0.00 N ATOM 865 CA PHE A 54 7.648 1.537 -9.655 1.00 0.00 C ATOM 866 C PHE A 54 7.290 2.772 -10.477 1.00 0.00 C ATOM 867 O PHE A 54 8.041 3.746 -10.514 1.00 0.00 O ATOM 868 CB PHE A 54 8.451 0.555 -10.510 1.00 0.00 C ATOM 869 CG PHE A 54 8.976 -0.622 -9.739 1.00 0.00 C ATOM 870 CD1 PHE A 54 9.805 -0.436 -8.644 1.00 0.00 C ATOM 871 CD2 PHE A 54 8.640 -1.914 -10.108 1.00 0.00 C ATOM 872 CE1 PHE A 54 10.290 -1.516 -7.932 1.00 0.00 C ATOM 873 CE2 PHE A 54 9.122 -2.999 -9.399 1.00 0.00 C ATOM 874 CZ PHE A 54 9.948 -2.800 -8.311 1.00 0.00 C ATOM 0 H PHE A 54 6.247 -0.019 -9.549 1.00 0.00 H new ATOM 0 HA PHE A 54 8.257 1.851 -8.807 1.00 0.00 H new ATOM 0 HB2 PHE A 54 7.821 0.195 -11.323 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.288 1.083 -10.966 1.00 0.00 H new ATOM 0 HD1 PHE A 54 10.075 0.566 -8.344 1.00 0.00 H new ATOM 0 HD2 PHE A 54 7.995 -2.076 -10.959 1.00 0.00 H new ATOM 0 HE1 PHE A 54 10.935 -1.357 -7.081 1.00 0.00 H new ATOM 0 HE2 PHE A 54 8.852 -4.002 -9.696 1.00 0.00 H new ATOM 0 HZ PHE A 54 10.326 -3.646 -7.757 1.00 0.00 H new ATOM 884 N LYS A 55 6.138 2.722 -11.137 1.00 0.00 N ATOM 885 CA LYS A 55 5.678 3.835 -11.959 1.00 0.00 C ATOM 886 C LYS A 55 5.844 5.161 -11.223 1.00 0.00 C ATOM 887 O LYS A 55 6.330 6.139 -11.789 1.00 0.00 O ATOM 888 CB LYS A 55 4.211 3.636 -12.348 1.00 0.00 C ATOM 889 CG LYS A 55 3.708 4.650 -13.361 1.00 0.00 C ATOM 890 CD LYS A 55 2.200 4.572 -13.527 1.00 0.00 C ATOM 891 CE LYS A 55 1.809 3.574 -14.606 1.00 0.00 C ATOM 892 NZ LYS A 55 0.473 2.969 -14.345 1.00 0.00 N ATOM 0 H LYS A 55 5.505 1.922 -11.119 1.00 0.00 H new ATOM 0 HA LYS A 55 6.287 3.863 -12.862 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.085 2.633 -12.757 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.595 3.695 -11.451 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.988 5.654 -13.042 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.190 4.475 -14.323 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.743 4.284 -12.580 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.810 5.557 -13.782 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.799 4.073 -15.575 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.560 2.786 -14.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.243 2.295 -15.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.490 2.471 -13.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.248 3.718 -14.318 1.00 0.00 H new ATOM 906 N ASN A 56 5.439 5.184 -9.957 1.00 0.00 N ATOM 907 CA ASN A 56 5.545 6.390 -9.144 1.00 0.00 C ATOM 908 C ASN A 56 7.004 6.708 -8.829 1.00 0.00 C ATOM 909 O ASN A 56 7.455 7.840 -9.001 1.00 0.00 O ATOM 910 CB ASN A 56 4.756 6.224 -7.844 1.00 0.00 C ATOM 911 CG ASN A 56 4.231 7.544 -7.313 1.00 0.00 C ATOM 912 OD1 ASN A 56 4.810 8.601 -7.564 1.00 0.00 O ATOM 913 ND2 ASN A 56 3.128 7.488 -6.575 1.00 0.00 N ATOM 0 H ASN A 56 5.035 4.382 -9.473 1.00 0.00 H new ATOM 0 HA ASN A 56 5.126 7.220 -9.713 1.00 0.00 H new ATOM 0 HB2 ASN A 56 3.920 5.546 -8.014 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.394 5.761 -7.092 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.727 8.344 -6.191 1.00 0.00 H new ATOM 0 HD22 ASN A 56 2.682 6.589 -6.393 1.00 0.00 H new ATOM 920 N LYS A 57 7.737 5.701 -8.367 1.00 0.00 N ATOM 921 CA LYS A 57 9.145 5.870 -8.029 1.00 0.00 C ATOM 922 C LYS A 57 9.833 6.804 -9.020 1.00 0.00 C ATOM 923 O LYS A 57 10.287 7.888 -8.654 1.00 0.00 O ATOM 924 CB LYS A 57 9.854 4.514 -8.013 1.00 0.00 C ATOM 925 CG LYS A 57 9.797 3.814 -6.667 1.00 0.00 C ATOM 926 CD LYS A 57 8.370 3.705 -6.155 1.00 0.00 C ATOM 927 CE LYS A 57 8.334 3.484 -4.650 1.00 0.00 C ATOM 928 NZ LYS A 57 6.969 3.692 -4.092 1.00 0.00 N ATOM 0 H LYS A 57 7.379 4.758 -8.218 1.00 0.00 H new ATOM 0 HA LYS A 57 9.204 6.315 -7.036 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.404 3.869 -8.768 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.897 4.655 -8.296 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.230 2.818 -6.755 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.403 4.362 -5.945 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.822 4.614 -6.404 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.864 2.881 -6.657 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.669 2.472 -4.423 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.032 4.167 -4.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.032 4.264 -3.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.380 4.187 -4.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.541 2.771 -3.869 1.00 0.00 H new ATOM 942 N VAL A 58 9.906 6.377 -10.276 1.00 0.00 N ATOM 943 CA VAL A 58 10.536 7.176 -11.320 1.00 0.00 C ATOM 944 C VAL A 58 9.592 7.384 -12.499 1.00 0.00 C ATOM 945 O VAL A 58 9.444 6.509 -13.353 1.00 0.00 O ATOM 946 CB VAL A 58 11.833 6.517 -11.826 1.00 0.00 C ATOM 947 CG1 VAL A 58 12.288 7.161 -13.126 1.00 0.00 C ATOM 948 CG2 VAL A 58 12.922 6.605 -10.767 1.00 0.00 C ATOM 0 H VAL A 58 9.536 5.482 -10.596 1.00 0.00 H new ATOM 0 HA VAL A 58 10.777 8.142 -10.876 1.00 0.00 H new ATOM 0 HB VAL A 58 11.633 5.464 -12.022 1.00 0.00 H new ATOM 0 HG11 VAL A 58 13.206 6.682 -13.468 1.00 0.00 H new ATOM 0 HG12 VAL A 58 11.513 7.041 -13.883 1.00 0.00 H new ATOM 0 HG13 VAL A 58 12.473 8.223 -12.961 1.00 0.00 H new ATOM 0 HG21 VAL A 58 13.832 6.135 -11.141 1.00 0.00 H new ATOM 0 HG22 VAL A 58 13.122 7.652 -10.537 1.00 0.00 H new ATOM 0 HG23 VAL A 58 12.593 6.092 -9.863 1.00 0.00 H new ATOM 958 N LYS A 59 8.954 8.548 -12.541 1.00 0.00 N ATOM 959 CA LYS A 59 8.024 8.874 -13.616 1.00 0.00 C ATOM 960 C LYS A 59 8.682 8.687 -14.979 1.00 0.00 C ATOM 961 O LYS A 59 9.897 8.512 -15.074 1.00 0.00 O ATOM 962 CB LYS A 59 7.528 10.314 -13.470 1.00 0.00 C ATOM 963 CG LYS A 59 8.633 11.352 -13.573 1.00 0.00 C ATOM 964 CD LYS A 59 8.074 12.734 -13.864 1.00 0.00 C ATOM 965 CE LYS A 59 7.710 12.891 -15.332 1.00 0.00 C ATOM 966 NZ LYS A 59 6.617 13.883 -15.529 1.00 0.00 N ATOM 0 H LYS A 59 9.064 9.283 -11.842 1.00 0.00 H new ATOM 0 HA LYS A 59 7.174 8.195 -13.546 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.782 10.512 -14.240 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.029 10.421 -12.507 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.199 11.376 -12.642 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.329 11.067 -14.362 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.191 12.907 -13.249 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.809 13.490 -13.587 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.590 13.204 -15.893 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.402 11.926 -15.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.398 13.961 -16.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.769 13.571 -15.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.920 14.810 -15.168 1.00 0.00 H new ATOM 980 N CYS A 60 7.873 8.727 -16.032 1.00 0.00 N ATOM 981 CA CYS A 60 8.377 8.563 -17.391 1.00 0.00 C ATOM 982 C CYS A 60 8.717 9.914 -18.012 1.00 0.00 C ATOM 983 O CYS A 60 7.840 10.616 -18.515 1.00 0.00 O ATOM 984 CB CYS A 60 7.346 7.836 -18.255 1.00 0.00 C ATOM 985 SG CYS A 60 7.926 7.442 -19.922 1.00 0.00 S ATOM 0 H CYS A 60 6.865 8.872 -15.971 1.00 0.00 H new ATOM 0 HA CYS A 60 9.288 7.966 -17.345 1.00 0.00 H new ATOM 0 HB2 CYS A 60 7.056 6.912 -17.755 1.00 0.00 H new ATOM 0 HB3 CYS A 60 6.451 8.453 -18.330 1.00 0.00 H new ATOM 0 HG CYS A 60 6.985 6.827 -20.575 1.00 0.00 H new ATOM 991 N GLY A 61 9.996 10.274 -17.971 1.00 0.00 N ATOM 992 CA GLY A 61 10.429 11.541 -18.531 1.00 0.00 C ATOM 993 C GLY A 61 11.862 11.498 -19.023 1.00 0.00 C ATOM 994 O GLY A 61 12.117 11.214 -20.194 1.00 0.00 O ATOM 0 H GLY A 61 10.740 9.711 -17.560 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.772 11.813 -19.358 1.00 0.00 H new ATOM 0 HA3 GLY A 61 10.331 12.321 -17.776 1.00 0.00 H new ATOM 998 N LEU A 62 12.801 11.782 -18.127 1.00 0.00 N ATOM 999 CA LEU A 62 14.218 11.776 -18.476 1.00 0.00 C ATOM 1000 C LEU A 62 14.935 10.599 -17.822 1.00 0.00 C ATOM 1001 O LEU A 62 15.435 10.709 -16.702 1.00 0.00 O ATOM 1002 CB LEU A 62 14.874 13.090 -18.048 1.00 0.00 C ATOM 1003 CG LEU A 62 14.508 14.323 -18.875 1.00 0.00 C ATOM 1004 CD1 LEU A 62 15.018 14.181 -20.300 1.00 0.00 C ATOM 1005 CD2 LEU A 62 13.002 14.545 -18.864 1.00 0.00 C ATOM 0 H LEU A 62 12.607 12.019 -17.154 1.00 0.00 H new ATOM 0 HA LEU A 62 14.300 11.672 -19.558 1.00 0.00 H new ATOM 0 HB2 LEU A 62 14.610 13.283 -17.008 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.956 12.961 -18.083 1.00 0.00 H new ATOM 0 HG LEU A 62 14.986 15.193 -18.426 1.00 0.00 H new ATOM 0 HD11 LEU A 62 14.748 15.068 -20.873 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.103 14.072 -20.289 1.00 0.00 H new ATOM 0 HD13 LEU A 62 14.570 13.301 -20.761 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.760 15.427 -19.457 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.503 13.674 -19.288 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.664 14.694 -17.839 1.00 0.00 H new ATOM 1017 N ASP A 63 14.983 9.476 -18.529 1.00 0.00 N ATOM 1018 CA ASP A 63 15.643 8.279 -18.018 1.00 0.00 C ATOM 1019 C ASP A 63 16.711 7.791 -18.991 1.00 0.00 C ATOM 1020 O ASP A 63 16.572 7.933 -20.206 1.00 0.00 O ATOM 1021 CB ASP A 63 14.617 7.172 -17.770 1.00 0.00 C ATOM 1022 CG ASP A 63 13.998 7.256 -16.388 1.00 0.00 C ATOM 1023 OD1 ASP A 63 14.742 7.520 -15.420 1.00 0.00 O ATOM 1024 OD2 ASP A 63 12.771 7.057 -16.275 1.00 0.00 O ATOM 0 H ASP A 63 14.573 9.369 -19.457 1.00 0.00 H new ATOM 0 HA ASP A 63 16.126 8.534 -17.075 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.830 7.235 -18.522 1.00 0.00 H new ATOM 0 HB3 ASP A 63 15.098 6.201 -17.891 1.00 0.00 H new ATOM 1029 N LYS A 64 17.779 7.215 -18.449 1.00 0.00 N ATOM 1030 CA LYS A 64 18.872 6.705 -19.268 1.00 0.00 C ATOM 1031 C LYS A 64 18.828 5.182 -19.347 1.00 0.00 C ATOM 1032 O LYS A 64 19.534 4.494 -18.612 1.00 0.00 O ATOM 1033 CB LYS A 64 20.218 7.158 -18.698 1.00 0.00 C ATOM 1034 CG LYS A 64 20.442 8.658 -18.784 1.00 0.00 C ATOM 1035 CD LYS A 64 20.527 9.127 -20.226 1.00 0.00 C ATOM 1036 CE LYS A 64 20.915 10.596 -20.313 1.00 0.00 C ATOM 1037 NZ LYS A 64 22.387 10.789 -20.193 1.00 0.00 N ATOM 0 H LYS A 64 17.911 7.090 -17.445 1.00 0.00 H new ATOM 0 HA LYS A 64 18.757 7.107 -20.275 1.00 0.00 H new ATOM 0 HB2 LYS A 64 20.284 6.849 -17.655 1.00 0.00 H new ATOM 0 HB3 LYS A 64 21.019 6.648 -19.233 1.00 0.00 H new ATOM 0 HG2 LYS A 64 19.628 9.178 -18.279 1.00 0.00 H new ATOM 0 HG3 LYS A 64 21.361 8.920 -18.260 1.00 0.00 H new ATOM 0 HD2 LYS A 64 21.259 8.524 -20.763 1.00 0.00 H new ATOM 0 HD3 LYS A 64 19.566 8.974 -20.717 1.00 0.00 H new ATOM 0 HE2 LYS A 64 20.571 11.007 -21.262 1.00 0.00 H new ATOM 0 HE3 LYS A 64 20.410 11.152 -19.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 22.611 11.803 -20.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 22.712 10.420 -19.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 22.868 10.279 -20.961 1.00 0.00 H new ATOM 1051 N GLU A 65 17.996 4.665 -20.245 1.00 0.00 N ATOM 1052 CA GLU A 65 17.861 3.223 -20.419 1.00 0.00 C ATOM 1053 C GLU A 65 16.938 2.901 -21.591 1.00 0.00 C ATOM 1054 O GLU A 65 15.866 3.489 -21.732 1.00 0.00 O ATOM 1055 CB GLU A 65 17.323 2.580 -19.140 1.00 0.00 C ATOM 1056 CG GLU A 65 15.887 2.964 -18.823 1.00 0.00 C ATOM 1057 CD GLU A 65 15.408 2.393 -17.503 1.00 0.00 C ATOM 1058 OE1 GLU A 65 15.624 3.047 -16.461 1.00 0.00 O ATOM 1059 OE2 GLU A 65 14.818 1.292 -17.511 1.00 0.00 O ATOM 0 H GLU A 65 17.406 5.222 -20.863 1.00 0.00 H new ATOM 0 HA GLU A 65 18.849 2.815 -20.634 1.00 0.00 H new ATOM 0 HB2 GLU A 65 17.388 1.496 -19.233 1.00 0.00 H new ATOM 0 HB3 GLU A 65 17.960 2.867 -18.303 1.00 0.00 H new ATOM 0 HG2 GLU A 65 15.803 4.050 -18.796 1.00 0.00 H new ATOM 0 HG3 GLU A 65 15.236 2.613 -19.624 1.00 0.00 H new ATOM 1066 N THR A 66 17.363 1.961 -22.430 1.00 0.00 N ATOM 1067 CA THR A 66 16.577 1.561 -23.590 1.00 0.00 C ATOM 1068 C THR A 66 15.787 0.288 -23.307 1.00 0.00 C ATOM 1069 O THR A 66 16.221 -0.586 -22.556 1.00 0.00 O ATOM 1070 CB THR A 66 17.471 1.333 -24.823 1.00 0.00 C ATOM 1071 OG1 THR A 66 16.881 0.350 -25.682 1.00 0.00 O ATOM 1072 CG2 THR A 66 18.862 0.879 -24.406 1.00 0.00 C ATOM 0 H THR A 66 18.247 1.463 -22.327 1.00 0.00 H new ATOM 0 HA THR A 66 15.884 2.376 -23.798 1.00 0.00 H new ATOM 0 HB THR A 66 17.559 2.278 -25.360 1.00 0.00 H new ATOM 0 HG1 THR A 66 17.277 -0.527 -25.496 1.00 0.00 H new ATOM 0 HG21 THR A 66 19.476 0.724 -25.294 1.00 0.00 H new ATOM 0 HG22 THR A 66 19.320 1.642 -23.777 1.00 0.00 H new ATOM 0 HG23 THR A 66 18.788 -0.055 -23.849 1.00 0.00 H new ATOM 1080 N PRO A 67 14.600 0.178 -23.921 1.00 0.00 N ATOM 1081 CA PRO A 67 13.725 -0.986 -23.750 1.00 0.00 C ATOM 1082 C PRO A 67 14.292 -2.239 -24.410 1.00 0.00 C ATOM 1083 O PRO A 67 13.945 -3.359 -24.038 1.00 0.00 O ATOM 1084 CB PRO A 67 12.428 -0.559 -24.441 1.00 0.00 C ATOM 1085 CG PRO A 67 12.849 0.462 -25.440 1.00 0.00 C ATOM 1086 CD PRO A 67 14.020 1.181 -24.829 1.00 0.00 C ATOM 0 HA PRO A 67 13.598 -1.250 -22.700 1.00 0.00 H new ATOM 0 HB2 PRO A 67 11.939 -1.406 -24.923 1.00 0.00 H new ATOM 0 HB3 PRO A 67 11.717 -0.144 -23.727 1.00 0.00 H new ATOM 0 HG2 PRO A 67 13.128 -0.007 -26.383 1.00 0.00 H new ATOM 0 HG3 PRO A 67 12.036 1.155 -25.657 1.00 0.00 H new ATOM 0 HD2 PRO A 67 14.736 1.499 -25.587 1.00 0.00 H new ATOM 0 HD3 PRO A 67 13.706 2.076 -24.292 1.00 0.00 H new ATOM 1094 N ASN A 68 15.167 -2.041 -25.390 1.00 0.00 N ATOM 1095 CA ASN A 68 15.783 -3.156 -26.102 1.00 0.00 C ATOM 1096 C ASN A 68 17.297 -3.149 -25.917 1.00 0.00 C ATOM 1097 O ASN A 68 17.837 -2.335 -25.169 1.00 0.00 O ATOM 1098 CB ASN A 68 15.439 -3.089 -27.591 1.00 0.00 C ATOM 1099 CG ASN A 68 13.951 -2.924 -27.834 1.00 0.00 C ATOM 1100 OD1 ASN A 68 13.263 -2.229 -27.087 1.00 0.00 O ATOM 1101 ND2 ASN A 68 13.449 -3.563 -28.884 1.00 0.00 N ATOM 0 H ASN A 68 15.466 -1.120 -25.710 1.00 0.00 H new ATOM 0 HA ASN A 68 15.389 -4.083 -25.686 1.00 0.00 H new ATOM 0 HB2 ASN A 68 15.973 -2.256 -28.047 1.00 0.00 H new ATOM 0 HB3 ASN A 68 15.786 -3.998 -28.083 1.00 0.00 H new ATOM 0 HD21 ASN A 68 12.455 -3.489 -29.099 1.00 0.00 H new ATOM 0 HD22 ASN A 68 14.058 -4.128 -29.476 1.00 0.00 H new ATOM 1108 N GLN A 69 17.976 -4.062 -26.605 1.00 0.00 N ATOM 1109 CA GLN A 69 19.428 -4.162 -26.516 1.00 0.00 C ATOM 1110 C GLN A 69 20.092 -3.526 -27.733 1.00 0.00 C ATOM 1111 O GLN A 69 21.284 -3.218 -27.713 1.00 0.00 O ATOM 1112 CB GLN A 69 19.853 -5.626 -26.394 1.00 0.00 C ATOM 1113 CG GLN A 69 19.347 -6.503 -27.528 1.00 0.00 C ATOM 1114 CD GLN A 69 17.950 -7.036 -27.275 1.00 0.00 C ATOM 1115 OE1 GLN A 69 17.302 -6.669 -26.294 1.00 0.00 O ATOM 1116 NE2 GLN A 69 17.479 -7.906 -28.160 1.00 0.00 N ATOM 0 H GLN A 69 17.544 -4.743 -27.230 1.00 0.00 H new ATOM 0 HA GLN A 69 19.751 -3.623 -25.625 1.00 0.00 H new ATOM 0 HB2 GLN A 69 20.941 -5.678 -26.363 1.00 0.00 H new ATOM 0 HB3 GLN A 69 19.488 -6.024 -25.447 1.00 0.00 H new ATOM 0 HG2 GLN A 69 19.351 -5.930 -28.455 1.00 0.00 H new ATOM 0 HG3 GLN A 69 20.031 -7.340 -27.668 1.00 0.00 H new ATOM 0 HE21 GLN A 69 18.051 -8.182 -28.958 1.00 0.00 H new ATOM 0 HE22 GLN A 69 16.545 -8.299 -28.042 1.00 0.00 H new ATOM 1125 N LYS A 70 19.313 -3.333 -28.792 1.00 0.00 N ATOM 1126 CA LYS A 70 19.825 -2.733 -30.019 1.00 0.00 C ATOM 1127 C LYS A 70 19.078 -1.444 -30.347 1.00 0.00 C ATOM 1128 O LYS A 70 17.978 -1.207 -29.847 1.00 0.00 O ATOM 1129 CB LYS A 70 19.699 -3.718 -31.183 1.00 0.00 C ATOM 1130 CG LYS A 70 18.269 -3.927 -31.651 1.00 0.00 C ATOM 1131 CD LYS A 70 17.601 -5.070 -30.905 1.00 0.00 C ATOM 1132 CE LYS A 70 17.834 -6.402 -31.602 1.00 0.00 C ATOM 1133 NZ LYS A 70 17.072 -6.502 -32.878 1.00 0.00 N ATOM 0 H LYS A 70 18.325 -3.583 -28.826 1.00 0.00 H new ATOM 0 HA LYS A 70 20.877 -2.493 -29.866 1.00 0.00 H new ATOM 0 HB2 LYS A 70 20.297 -3.357 -32.020 1.00 0.00 H new ATOM 0 HB3 LYS A 70 20.118 -4.678 -30.882 1.00 0.00 H new ATOM 0 HG2 LYS A 70 17.698 -3.010 -31.501 1.00 0.00 H new ATOM 0 HG3 LYS A 70 18.262 -4.136 -32.721 1.00 0.00 H new ATOM 0 HD2 LYS A 70 17.989 -5.118 -29.888 1.00 0.00 H new ATOM 0 HD3 LYS A 70 16.530 -4.880 -30.829 1.00 0.00 H new ATOM 0 HE2 LYS A 70 18.898 -6.525 -31.804 1.00 0.00 H new ATOM 0 HE3 LYS A 70 17.540 -7.215 -30.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.990 -7.501 -33.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.122 -6.100 -32.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 17.571 -5.975 -33.623 1.00 0.00 H new ATOM 1147 N THR A 71 19.683 -0.613 -31.190 1.00 0.00 N ATOM 1148 CA THR A 71 19.075 0.652 -31.585 1.00 0.00 C ATOM 1149 C THR A 71 17.851 0.423 -32.464 1.00 0.00 C ATOM 1150 O THR A 71 17.791 -0.544 -33.222 1.00 0.00 O ATOM 1151 CB THR A 71 20.077 1.544 -32.341 1.00 0.00 C ATOM 1152 OG1 THR A 71 19.504 2.836 -32.573 1.00 0.00 O ATOM 1153 CG2 THR A 71 20.470 0.912 -33.668 1.00 0.00 C ATOM 0 H THR A 71 20.594 -0.793 -31.613 1.00 0.00 H new ATOM 0 HA THR A 71 18.770 1.157 -30.668 1.00 0.00 H new ATOM 0 HB THR A 71 20.972 1.649 -31.728 1.00 0.00 H new ATOM 0 HG1 THR A 71 20.148 3.398 -33.053 1.00 0.00 H new ATOM 0 HG21 THR A 71 21.178 1.560 -34.184 1.00 0.00 H new ATOM 0 HG22 THR A 71 20.932 -0.058 -33.486 1.00 0.00 H new ATOM 0 HG23 THR A 71 19.582 0.781 -34.286 1.00 0.00 H new ATOM 1161 N GLY A 72 16.876 1.320 -32.358 1.00 0.00 N ATOM 1162 CA GLY A 72 15.666 1.198 -33.150 1.00 0.00 C ATOM 1163 C GLY A 72 14.426 1.037 -32.293 1.00 0.00 C ATOM 1164 O GLY A 72 13.617 0.138 -32.524 1.00 0.00 O ATOM 0 H GLY A 72 16.902 2.129 -31.738 1.00 0.00 H new ATOM 0 HA2 GLY A 72 15.557 2.081 -33.779 1.00 0.00 H new ATOM 0 HA3 GLY A 72 15.757 0.341 -33.817 1.00 0.00 H new TER 1168 GLY A 72