USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 581 hydrogens (13 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 NoAdj-H: A 25 MLE H : A 25 MLE N : A 24 GLU C :(H bumps) USER MOD Set 1.1: A 30 SER OG : rot 180:sc= 0.0136 USER MOD Set 1.2: A 37 THR OG1 : rot 180:sc= 0.0118 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -170:sc= 0.0188 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HE2:sc= -12! C(o=-12!,f=-21!) USER MOD Single : A 20 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 33 HIS : no HD1:sc= -0.791 K(o=-0.79,f=-2.4!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.008) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 GLN : amide:sc= -0.45 X(o=-0.45,f=-0.89) USER MOD Single : A 64 LYS NZ :NH3+ -121:sc= 0.055 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 4 -8.761 15.945 -10.404 1.00 9.58 N ATOM 2 CA GLU A 4 -8.315 15.644 -9.009 1.00 9.09 C ATOM 3 C GLU A 4 -9.219 14.566 -8.397 1.00 8.06 C ATOM 4 O GLU A 4 -10.378 14.443 -8.751 1.00 8.10 O ATOM 5 CB GLU A 4 -8.393 16.916 -8.157 1.00 9.77 C ATOM 6 CG GLU A 4 -7.150 17.776 -8.408 1.00 10.24 C ATOM 7 CD GLU A 4 -6.747 18.494 -7.116 1.00 11.04 C ATOM 8 OE1 GLU A 4 -6.182 17.845 -6.250 1.00 11.36 O ATOM 9 OE2 GLU A 4 -7.008 19.682 -7.015 1.00 11.49 O ATOM 0 HA GLU A 4 -7.286 15.284 -9.033 1.00 9.09 H new ATOM 0 HB2 GLU A 4 -9.293 17.478 -8.405 1.00 9.77 H new ATOM 0 HB3 GLU A 4 -8.461 16.655 -7.101 1.00 9.77 H new ATOM 0 HG2 GLU A 4 -6.329 17.151 -8.759 1.00 10.24 H new ATOM 0 HG3 GLU A 4 -7.353 18.505 -9.192 1.00 10.24 H new ATOM 16 N LEU A 5 -8.696 13.787 -7.480 1.00 7.36 N ATOM 17 CA LEU A 5 -9.521 12.714 -6.841 1.00 6.53 C ATOM 18 C LEU A 5 -9.206 12.637 -5.342 1.00 6.17 C ATOM 19 O LEU A 5 -8.060 12.555 -4.941 1.00 6.61 O ATOM 20 CB LEU A 5 -9.222 11.359 -7.506 1.00 6.34 C ATOM 21 CG LEU A 5 -7.723 11.038 -7.419 1.00 7.26 C ATOM 22 CD1 LEU A 5 -7.512 9.798 -6.544 1.00 7.60 C ATOM 23 CD2 LEU A 5 -7.177 10.768 -8.824 1.00 7.86 C ATOM 0 H LEU A 5 -7.734 13.848 -7.147 1.00 7.36 H new ATOM 0 HA LEU A 5 -10.577 12.951 -6.972 1.00 6.53 H new ATOM 0 HB2 LEU A 5 -9.798 10.573 -7.018 1.00 6.34 H new ATOM 0 HB3 LEU A 5 -9.535 11.382 -8.550 1.00 6.34 H new ATOM 0 HG LEU A 5 -7.197 11.885 -6.979 1.00 7.26 H new ATOM 0 HD11 LEU A 5 -6.447 9.572 -6.484 1.00 7.60 H new ATOM 0 HD12 LEU A 5 -7.900 9.989 -5.543 1.00 7.60 H new ATOM 0 HD13 LEU A 5 -8.039 8.950 -6.982 1.00 7.60 H new ATOM 0 HD21 LEU A 5 -6.113 10.540 -8.763 1.00 7.86 H new ATOM 0 HD22 LEU A 5 -7.705 9.921 -9.263 1.00 7.86 H new ATOM 0 HD23 LEU A 5 -7.324 11.650 -9.447 1.00 7.86 H new ATOM 35 N ARG A 6 -10.225 12.662 -4.514 1.00 5.61 N ATOM 36 CA ARG A 6 -10.016 12.587 -3.035 1.00 5.48 C ATOM 37 C ARG A 6 -9.401 11.234 -2.653 1.00 4.69 C ATOM 38 O ARG A 6 -9.138 10.397 -3.498 1.00 4.64 O ATOM 39 CB ARG A 6 -11.365 12.749 -2.320 1.00 6.06 C ATOM 40 CG ARG A 6 -12.369 11.700 -2.826 1.00 6.84 C ATOM 41 CD ARG A 6 -12.593 10.634 -1.749 1.00 7.76 C ATOM 42 NE ARG A 6 -13.919 9.983 -1.957 1.00 8.57 N ATOM 43 CZ ARG A 6 -14.136 8.776 -1.502 1.00 9.27 C ATOM 44 NH1 ARG A 6 -14.510 8.604 -0.260 1.00 9.77 N ATOM 45 NH2 ARG A 6 -13.980 7.742 -2.287 1.00 9.70 N ATOM 0 H ARG A 6 -11.200 12.732 -4.804 1.00 5.61 H new ATOM 0 HA ARG A 6 -9.337 13.385 -2.734 1.00 5.48 H new ATOM 0 HB2 ARG A 6 -11.229 12.642 -1.244 1.00 6.06 H new ATOM 0 HB3 ARG A 6 -11.758 13.751 -2.493 1.00 6.06 H new ATOM 0 HG2 ARG A 6 -13.315 12.180 -3.078 1.00 6.84 H new ATOM 0 HG3 ARG A 6 -11.995 11.235 -3.738 1.00 6.84 H new ATOM 0 HD2 ARG A 6 -11.800 9.888 -1.791 1.00 7.76 H new ATOM 0 HD3 ARG A 6 -12.551 11.088 -0.759 1.00 7.76 H new ATOM 0 HE ARG A 6 -14.658 10.480 -2.455 1.00 8.57 H new ATOM 0 HH11 ARG A 6 -14.632 9.411 0.352 1.00 9.77 H new ATOM 0 HH12 ARG A 6 -14.680 7.663 0.096 1.00 9.77 H new ATOM 0 HH21 ARG A 6 -13.689 7.876 -3.255 1.00 9.70 H new ATOM 0 HH22 ARG A 6 -14.149 6.801 -1.931 1.00 9.70 H new ATOM 59 N CYS A 7 -9.178 11.018 -1.380 1.00 4.47 N ATOM 60 CA CYS A 7 -8.593 9.725 -0.928 1.00 4.05 C ATOM 61 C CYS A 7 -9.656 8.631 -1.056 1.00 4.38 C ATOM 62 O CYS A 7 -10.527 8.495 -0.214 1.00 4.93 O ATOM 63 CB CYS A 7 -8.142 9.827 0.535 1.00 4.32 C ATOM 64 SG CYS A 7 -7.439 11.465 0.866 1.00 4.79 S ATOM 0 H CYS A 7 -9.378 11.685 -0.635 1.00 4.47 H new ATOM 0 HA CYS A 7 -7.728 9.485 -1.546 1.00 4.05 H new ATOM 0 HB2 CYS A 7 -8.989 9.647 1.197 1.00 4.32 H new ATOM 0 HB3 CYS A 7 -7.401 9.056 0.749 1.00 4.32 H new ATOM 69 N GLN A 8 -9.596 7.854 -2.109 1.00 4.51 N ATOM 70 CA GLN A 8 -10.600 6.770 -2.308 1.00 5.30 C ATOM 71 C GLN A 8 -10.382 5.648 -1.279 1.00 5.47 C ATOM 72 O GLN A 8 -11.269 4.855 -1.031 1.00 6.21 O ATOM 73 CB GLN A 8 -10.451 6.201 -3.720 1.00 5.63 C ATOM 74 CG GLN A 8 -10.636 7.320 -4.751 1.00 6.22 C ATOM 75 CD GLN A 8 -10.776 6.714 -6.150 1.00 7.21 C ATOM 76 OE1 GLN A 8 -9.924 5.967 -6.590 1.00 7.78 O ATOM 77 NE2 GLN A 8 -11.822 7.007 -6.874 1.00 7.68 N ATOM 0 H GLN A 8 -8.890 7.926 -2.842 1.00 4.51 H new ATOM 0 HA GLN A 8 -11.601 7.181 -2.176 1.00 5.30 H new ATOM 0 HB2 GLN A 8 -9.468 5.745 -3.837 1.00 5.63 H new ATOM 0 HB3 GLN A 8 -11.188 5.416 -3.885 1.00 5.63 H new ATOM 0 HG2 GLN A 8 -11.521 7.908 -4.509 1.00 6.22 H new ATOM 0 HG3 GLN A 8 -9.784 7.999 -4.722 1.00 6.22 H new ATOM 0 HE21 GLN A 8 -12.538 7.634 -6.506 1.00 7.68 H new ATOM 0 HE22 GLN A 8 -11.924 6.609 -7.808 1.00 7.68 H new ATOM 86 N CYS A 9 -9.210 5.573 -0.685 1.00 5.04 N ATOM 87 CA CYS A 9 -8.941 4.507 0.315 1.00 5.45 C ATOM 88 C CYS A 9 -8.829 5.128 1.711 1.00 5.99 C ATOM 89 O CYS A 9 -7.786 5.626 2.097 1.00 6.13 O ATOM 90 CB CYS A 9 -7.631 3.809 -0.045 1.00 5.08 C ATOM 91 SG CYS A 9 -7.917 2.646 -1.403 1.00 5.12 S ATOM 0 H CYS A 9 -8.432 6.210 -0.856 1.00 5.04 H new ATOM 0 HA CYS A 9 -9.756 3.783 0.312 1.00 5.45 H new ATOM 0 HB2 CYS A 9 -6.882 4.546 -0.335 1.00 5.08 H new ATOM 0 HB3 CYS A 9 -7.238 3.280 0.823 1.00 5.08 H new ATOM 96 N ILE A 10 -9.896 5.092 2.473 1.00 6.61 N ATOM 97 CA ILE A 10 -9.861 5.666 3.856 1.00 7.44 C ATOM 98 C ILE A 10 -9.000 4.765 4.753 1.00 7.48 C ATOM 99 O ILE A 10 -8.353 5.228 5.675 1.00 8.16 O ATOM 100 CB ILE A 10 -11.288 5.743 4.421 1.00 8.38 C ATOM 101 CG1 ILE A 10 -12.134 6.683 3.553 1.00 8.63 C ATOM 102 CG2 ILE A 10 -11.254 6.274 5.858 1.00 9.31 C ATOM 103 CD1 ILE A 10 -13.500 6.046 3.288 1.00 9.47 C ATOM 0 H ILE A 10 -10.791 4.689 2.196 1.00 6.61 H new ATOM 0 HA ILE A 10 -9.435 6.669 3.825 1.00 7.44 H new ATOM 0 HB ILE A 10 -11.726 4.745 4.416 1.00 8.38 H new ATOM 0 HG12 ILE A 10 -12.260 7.643 4.054 1.00 8.63 H new ATOM 0 HG13 ILE A 10 -11.624 6.881 2.610 1.00 8.63 H new ATOM 0 HG21 ILE A 10 -12.269 6.325 6.251 1.00 9.31 H new ATOM 0 HG22 ILE A 10 -10.658 5.605 6.479 1.00 9.31 H new ATOM 0 HG23 ILE A 10 -10.810 7.270 5.868 1.00 9.31 H new ATOM 0 HD11 ILE A 10 -14.100 6.715 2.671 1.00 9.47 H new ATOM 0 HD12 ILE A 10 -13.364 5.097 2.768 1.00 9.47 H new ATOM 0 HD13 ILE A 10 -14.010 5.871 4.235 1.00 9.47 H new ATOM 115 N LYS A 11 -8.988 3.481 4.479 1.00 6.93 N ATOM 116 CA LYS A 11 -8.177 2.532 5.297 1.00 7.15 C ATOM 117 C LYS A 11 -7.191 1.805 4.377 1.00 6.42 C ATOM 118 O LYS A 11 -7.571 1.263 3.355 1.00 6.35 O ATOM 119 CB LYS A 11 -9.107 1.513 5.962 1.00 8.05 C ATOM 120 CG LYS A 11 -9.981 2.219 7.004 1.00 8.65 C ATOM 121 CD LYS A 11 -11.212 1.359 7.309 1.00 9.04 C ATOM 122 CE LYS A 11 -12.387 2.263 7.691 1.00 9.50 C ATOM 123 NZ LYS A 11 -13.438 1.455 8.374 1.00 9.69 N ATOM 0 H LYS A 11 -9.511 3.050 3.717 1.00 6.93 H new ATOM 0 HA LYS A 11 -7.630 3.076 6.067 1.00 7.15 H new ATOM 0 HB2 LYS A 11 -9.735 1.034 5.211 1.00 8.05 H new ATOM 0 HB3 LYS A 11 -8.521 0.726 6.437 1.00 8.05 H new ATOM 0 HG2 LYS A 11 -9.410 2.391 7.916 1.00 8.65 H new ATOM 0 HG3 LYS A 11 -10.290 3.196 6.632 1.00 8.65 H new ATOM 0 HD2 LYS A 11 -11.472 0.756 6.439 1.00 9.04 H new ATOM 0 HD3 LYS A 11 -10.993 0.667 8.122 1.00 9.04 H new ATOM 0 HE2 LYS A 11 -12.045 3.063 8.348 1.00 9.50 H new ATOM 0 HE3 LYS A 11 -12.800 2.736 6.800 1.00 9.50 H new ATOM 0 HZ1 LYS A 11 -14.235 2.070 8.633 1.00 9.69 H new ATOM 0 HZ2 LYS A 11 -13.772 0.707 7.733 1.00 9.69 H new ATOM 0 HZ3 LYS A 11 -13.041 1.024 9.233 1.00 9.69 H new ATOM 137 N THR A 12 -5.928 1.796 4.725 1.00 6.02 N ATOM 138 CA THR A 12 -4.917 1.111 3.863 1.00 5.35 C ATOM 139 C THR A 12 -4.526 -0.247 4.453 1.00 5.31 C ATOM 140 O THR A 12 -5.151 -0.747 5.370 1.00 5.80 O ATOM 141 CB THR A 12 -3.669 1.988 3.700 1.00 5.23 C ATOM 142 OG1 THR A 12 -3.634 2.984 4.716 1.00 5.90 O ATOM 143 CG2 THR A 12 -3.697 2.639 2.319 1.00 5.32 C ATOM 0 H THR A 12 -5.554 2.233 5.568 1.00 6.02 H new ATOM 0 HA THR A 12 -5.366 0.947 2.884 1.00 5.35 H new ATOM 0 HB THR A 12 -2.774 1.373 3.793 1.00 5.23 H new ATOM 0 HG1 THR A 12 -2.927 3.632 4.514 1.00 5.90 H new ATOM 0 HG21 THR A 12 -2.813 3.265 2.194 1.00 5.32 H new ATOM 0 HG22 THR A 12 -3.705 1.865 1.552 1.00 5.32 H new ATOM 0 HG23 THR A 12 -4.593 3.253 2.224 1.00 5.32 H new ATOM 151 N TYR A 13 -3.507 -0.855 3.897 1.00 4.96 N ATOM 152 CA TYR A 13 -3.063 -2.193 4.363 1.00 5.03 C ATOM 153 C TYR A 13 -1.831 -2.064 5.264 1.00 5.08 C ATOM 154 O TYR A 13 -0.784 -1.607 4.840 1.00 4.67 O ATOM 155 CB TYR A 13 -2.711 -3.038 3.132 1.00 4.85 C ATOM 156 CG TYR A 13 -2.791 -4.510 3.446 1.00 5.22 C ATOM 157 CD1 TYR A 13 -3.659 -4.978 4.437 1.00 5.34 C ATOM 158 CD2 TYR A 13 -1.985 -5.404 2.736 1.00 5.75 C ATOM 159 CE1 TYR A 13 -3.718 -6.346 4.724 1.00 5.79 C ATOM 160 CE2 TYR A 13 -2.044 -6.775 3.019 1.00 6.30 C ATOM 161 CZ TYR A 13 -2.910 -7.246 4.015 1.00 6.23 C ATOM 162 OH TYR A 13 -2.966 -8.595 4.298 1.00 6.84 O ATOM 0 H TYR A 13 -2.959 -0.469 3.128 1.00 4.96 H new ATOM 0 HA TYR A 13 -3.861 -2.665 4.936 1.00 5.03 H new ATOM 0 HB2 TYR A 13 -3.393 -2.799 2.316 1.00 4.85 H new ATOM 0 HB3 TYR A 13 -1.706 -2.789 2.791 1.00 4.85 H new ATOM 0 HD1 TYR A 13 -4.283 -4.284 4.980 1.00 5.34 H new ATOM 0 HD2 TYR A 13 -1.317 -5.038 1.970 1.00 5.75 H new ATOM 0 HE1 TYR A 13 -4.386 -6.709 5.491 1.00 5.79 H new ATOM 0 HE2 TYR A 13 -1.423 -7.468 2.470 1.00 6.30 H new ATOM 0 HH TYR A 13 -2.343 -9.078 3.715 1.00 6.84 H new ATOM 172 N SER A 14 -1.947 -2.491 6.496 1.00 5.82 N ATOM 173 CA SER A 14 -0.786 -2.430 7.432 1.00 6.06 C ATOM 174 C SER A 14 -0.058 -3.782 7.412 1.00 6.51 C ATOM 175 O SER A 14 1.139 -3.849 7.624 1.00 6.88 O ATOM 176 CB SER A 14 -1.277 -2.122 8.850 1.00 6.42 C ATOM 177 OG SER A 14 -1.663 -0.754 8.927 1.00 6.80 O ATOM 0 H SER A 14 -2.801 -2.881 6.895 1.00 5.82 H new ATOM 0 HA SER A 14 -0.102 -1.641 7.119 1.00 6.06 H new ATOM 0 HB2 SER A 14 -2.120 -2.765 9.103 1.00 6.42 H new ATOM 0 HB3 SER A 14 -0.489 -2.331 9.574 1.00 6.42 H new ATOM 0 HG SER A 14 -1.979 -0.554 9.833 1.00 6.80 H new ATOM 183 N LYS A 15 -0.767 -4.857 7.132 1.00 6.59 N ATOM 184 CA LYS A 15 -0.110 -6.197 7.070 1.00 7.06 C ATOM 185 C LYS A 15 0.600 -6.314 5.715 1.00 6.32 C ATOM 186 O LYS A 15 0.055 -5.918 4.706 1.00 6.13 O ATOM 187 CB LYS A 15 -1.125 -7.350 7.195 1.00 7.75 C ATOM 188 CG LYS A 15 -2.473 -6.881 7.771 1.00 8.64 C ATOM 189 CD LYS A 15 -2.292 -6.425 9.224 1.00 9.43 C ATOM 190 CE LYS A 15 -2.334 -7.643 10.153 1.00 10.20 C ATOM 191 NZ LYS A 15 -1.172 -7.600 11.087 1.00 10.59 N ATOM 0 H LYS A 15 -1.770 -4.858 6.945 1.00 6.59 H new ATOM 0 HA LYS A 15 0.587 -6.277 7.904 1.00 7.06 H new ATOM 0 HB2 LYS A 15 -1.287 -7.796 6.214 1.00 7.75 H new ATOM 0 HB3 LYS A 15 -0.710 -8.129 7.835 1.00 7.75 H new ATOM 0 HG2 LYS A 15 -2.869 -6.062 7.171 1.00 8.64 H new ATOM 0 HG3 LYS A 15 -3.200 -7.692 7.723 1.00 8.64 H new ATOM 0 HD2 LYS A 15 -1.342 -5.902 9.336 1.00 9.43 H new ATOM 0 HD3 LYS A 15 -3.078 -5.720 9.495 1.00 9.43 H new ATOM 0 HE2 LYS A 15 -3.267 -7.651 10.717 1.00 10.20 H new ATOM 0 HE3 LYS A 15 -2.308 -8.561 9.567 1.00 10.20 H new ATOM 0 HZ1 LYS A 15 -1.202 -8.427 11.717 1.00 10.59 H new ATOM 0 HZ2 LYS A 15 -0.287 -7.612 10.541 1.00 10.59 H new ATOM 0 HZ3 LYS A 15 -1.216 -6.730 11.656 1.00 10.59 H new ATOM 205 N PRO A 16 1.801 -6.833 5.732 1.00 6.02 N ATOM 206 CA PRO A 16 2.617 -6.987 4.516 1.00 5.35 C ATOM 207 C PRO A 16 2.258 -8.273 3.758 1.00 5.50 C ATOM 208 O PRO A 16 1.679 -9.192 4.310 1.00 6.37 O ATOM 209 CB PRO A 16 4.042 -7.052 5.065 1.00 5.39 C ATOM 210 CG PRO A 16 3.930 -7.513 6.542 1.00 6.26 C ATOM 211 CD PRO A 16 2.461 -7.306 6.961 1.00 6.51 C ATOM 0 HA PRO A 16 2.467 -6.181 3.798 1.00 5.35 H new ATOM 0 HB2 PRO A 16 4.648 -7.749 4.487 1.00 5.39 H new ATOM 0 HB3 PRO A 16 4.527 -6.078 4.999 1.00 5.39 H new ATOM 0 HG2 PRO A 16 4.218 -8.559 6.644 1.00 6.26 H new ATOM 0 HG3 PRO A 16 4.599 -6.935 7.179 1.00 6.26 H new ATOM 0 HD2 PRO A 16 2.015 -8.233 7.322 1.00 6.51 H new ATOM 0 HD3 PRO A 16 2.375 -6.576 7.766 1.00 6.51 H new ATOM 219 N PHE A 17 2.611 -8.339 2.495 1.00 4.76 N ATOM 220 CA PHE A 17 2.308 -9.563 1.682 1.00 4.96 C ATOM 221 C PHE A 17 3.181 -9.580 0.412 1.00 4.78 C ATOM 222 O PHE A 17 3.662 -8.555 -0.037 1.00 4.77 O ATOM 223 CB PHE A 17 0.806 -9.609 1.326 1.00 4.69 C ATOM 224 CG PHE A 17 0.457 -8.601 0.250 1.00 3.72 C ATOM 225 CD1 PHE A 17 0.423 -7.232 0.545 1.00 3.74 C ATOM 226 CD2 PHE A 17 0.153 -9.044 -1.043 1.00 3.29 C ATOM 227 CE1 PHE A 17 0.089 -6.309 -0.455 1.00 3.14 C ATOM 228 CE2 PHE A 17 -0.182 -8.122 -2.040 1.00 2.59 C ATOM 229 CZ PHE A 17 -0.213 -6.754 -1.747 1.00 2.38 C ATOM 0 H PHE A 17 3.097 -7.597 1.991 1.00 4.76 H new ATOM 0 HA PHE A 17 2.542 -10.451 2.269 1.00 4.96 H new ATOM 0 HB2 PHE A 17 0.542 -10.611 0.986 1.00 4.69 H new ATOM 0 HB3 PHE A 17 0.214 -9.409 2.219 1.00 4.69 H new ATOM 0 HD1 PHE A 17 0.654 -6.888 1.542 1.00 3.74 H new ATOM 0 HD2 PHE A 17 0.177 -10.099 -1.271 1.00 3.29 H new ATOM 0 HE1 PHE A 17 0.065 -5.253 -0.228 1.00 3.14 H new ATOM 0 HE2 PHE A 17 -0.417 -8.466 -3.036 1.00 2.59 H new ATOM 0 HZ PHE A 17 -0.470 -6.042 -2.517 1.00 2.38 H new ATOM 239 N HIS A 18 3.397 -10.749 -0.152 1.00 4.92 N ATOM 240 CA HIS A 18 4.252 -10.873 -1.378 1.00 5.06 C ATOM 241 C HIS A 18 3.589 -10.134 -2.572 1.00 4.32 C ATOM 242 O HIS A 18 2.381 -10.138 -2.707 1.00 4.10 O ATOM 243 CB HIS A 18 4.473 -12.368 -1.638 1.00 5.95 C ATOM 244 CG HIS A 18 4.972 -12.584 -3.022 1.00 6.25 C ATOM 245 ND1 HIS A 18 6.319 -12.675 -3.342 1.00 6.36 N ATOM 246 CD2 HIS A 18 4.299 -12.723 -4.180 1.00 6.72 C ATOM 247 CE1 HIS A 18 6.392 -12.862 -4.671 1.00 6.81 C ATOM 248 NE2 HIS A 18 5.186 -12.905 -5.223 1.00 7.07 N ATOM 0 H HIS A 18 3.013 -11.630 0.189 1.00 4.92 H new ATOM 0 HA HIS A 18 5.224 -10.399 -1.240 1.00 5.06 H new ATOM 0 HB2 HIS A 18 5.189 -12.767 -0.920 1.00 5.95 H new ATOM 0 HB3 HIS A 18 3.539 -12.911 -1.492 1.00 5.95 H new ATOM 0 HD1 HIS A 18 7.103 -12.612 -2.693 1.00 6.36 H new ATOM 0 HD2 HIS A 18 3.224 -12.696 -4.279 1.00 6.72 H new ATOM 0 HE1 HIS A 18 7.316 -12.964 -5.221 1.00 6.81 H new ATOM 256 N PRO A 19 4.419 -9.459 -3.364 1.00 4.16 N ATOM 257 CA PRO A 19 3.967 -8.620 -4.510 1.00 3.77 C ATOM 258 C PRO A 19 3.536 -9.396 -5.764 1.00 4.27 C ATOM 259 O PRO A 19 2.536 -9.056 -6.366 1.00 4.32 O ATOM 260 CB PRO A 19 5.193 -7.764 -4.835 1.00 3.96 C ATOM 261 CG PRO A 19 6.418 -8.519 -4.273 1.00 4.62 C ATOM 262 CD PRO A 19 5.889 -9.474 -3.189 1.00 4.65 C ATOM 0 HA PRO A 19 3.071 -8.067 -4.228 1.00 3.77 H new ATOM 0 HB2 PRO A 19 5.289 -7.616 -5.911 1.00 3.96 H new ATOM 0 HB3 PRO A 19 5.106 -6.775 -4.384 1.00 3.96 H new ATOM 0 HG2 PRO A 19 6.927 -9.073 -5.062 1.00 4.62 H new ATOM 0 HG3 PRO A 19 7.144 -7.822 -3.854 1.00 4.62 H new ATOM 0 HD2 PRO A 19 6.293 -10.479 -3.314 1.00 4.65 H new ATOM 0 HD3 PRO A 19 6.173 -9.138 -2.192 1.00 4.65 H new ATOM 270 N LYS A 20 4.288 -10.379 -6.202 1.00 4.91 N ATOM 271 CA LYS A 20 3.908 -11.113 -7.463 1.00 5.52 C ATOM 272 C LYS A 20 2.438 -11.582 -7.421 1.00 5.00 C ATOM 273 O LYS A 20 1.821 -11.761 -8.454 1.00 5.39 O ATOM 274 CB LYS A 20 4.834 -12.300 -7.707 1.00 6.44 C ATOM 275 CG LYS A 20 5.014 -12.513 -9.215 1.00 7.16 C ATOM 276 CD LYS A 20 6.304 -11.831 -9.686 1.00 7.91 C ATOM 277 CE LYS A 20 7.515 -12.682 -9.287 1.00 8.41 C ATOM 278 NZ LYS A 20 8.350 -12.967 -10.491 1.00 8.95 N ATOM 0 H LYS A 20 5.141 -10.706 -5.749 1.00 4.91 H new ATOM 0 HA LYS A 20 4.018 -10.412 -8.291 1.00 5.52 H new ATOM 0 HB2 LYS A 20 5.801 -12.122 -7.237 1.00 6.44 H new ATOM 0 HB3 LYS A 20 4.418 -13.198 -7.250 1.00 6.44 H new ATOM 0 HG2 LYS A 20 5.053 -13.579 -9.439 1.00 7.16 H new ATOM 0 HG3 LYS A 20 4.159 -12.105 -9.754 1.00 7.16 H new ATOM 0 HD2 LYS A 20 6.282 -11.697 -10.768 1.00 7.91 H new ATOM 0 HD3 LYS A 20 6.384 -10.838 -9.244 1.00 7.91 H new ATOM 0 HE2 LYS A 20 8.108 -12.158 -8.537 1.00 8.41 H new ATOM 0 HE3 LYS A 20 7.182 -13.616 -8.835 1.00 8.41 H new ATOM 0 HZ1 LYS A 20 9.170 -13.544 -10.216 1.00 8.95 H new ATOM 0 HZ2 LYS A 20 7.782 -13.484 -11.193 1.00 8.95 H new ATOM 0 HZ3 LYS A 20 8.680 -12.072 -10.904 1.00 8.95 H new ATOM 292 N PHE A 21 1.858 -11.746 -6.245 1.00 4.37 N ATOM 293 CA PHE A 21 0.423 -12.157 -6.155 1.00 4.15 C ATOM 294 C PHE A 21 -0.443 -11.081 -6.826 1.00 3.56 C ATOM 295 O PHE A 21 -1.429 -11.372 -7.478 1.00 3.88 O ATOM 296 CB PHE A 21 0.002 -12.264 -4.693 1.00 4.02 C ATOM 297 CG PHE A 21 0.814 -13.301 -3.942 1.00 4.64 C ATOM 298 CD1 PHE A 21 1.431 -14.366 -4.617 1.00 5.12 C ATOM 299 CD2 PHE A 21 0.941 -13.191 -2.552 1.00 5.11 C ATOM 300 CE1 PHE A 21 2.170 -15.314 -3.897 1.00 5.85 C ATOM 301 CE2 PHE A 21 1.679 -14.137 -1.836 1.00 5.85 C ATOM 302 CZ PHE A 21 2.294 -15.199 -2.508 1.00 6.13 C ATOM 0 H PHE A 21 2.323 -11.611 -5.347 1.00 4.37 H new ATOM 0 HA PHE A 21 0.296 -13.121 -6.647 1.00 4.15 H new ATOM 0 HB2 PHE A 21 0.118 -11.294 -4.210 1.00 4.02 H new ATOM 0 HB3 PHE A 21 -1.055 -12.523 -4.638 1.00 4.02 H new ATOM 0 HD1 PHE A 21 1.336 -14.454 -5.689 1.00 5.12 H new ATOM 0 HD2 PHE A 21 0.467 -12.372 -2.031 1.00 5.11 H new ATOM 0 HE1 PHE A 21 2.644 -16.134 -4.415 1.00 5.85 H new ATOM 0 HE2 PHE A 21 1.775 -14.048 -0.764 1.00 5.85 H new ATOM 0 HZ PHE A 21 2.865 -15.930 -1.955 1.00 6.13 H new ATOM 312 N ILE A 22 -0.065 -9.836 -6.653 1.00 2.94 N ATOM 313 CA ILE A 22 -0.819 -8.693 -7.248 1.00 2.62 C ATOM 314 C ILE A 22 -0.788 -8.777 -8.777 1.00 3.41 C ATOM 315 O ILE A 22 0.265 -8.836 -9.386 1.00 4.13 O ATOM 316 CB ILE A 22 -0.163 -7.378 -6.798 1.00 2.18 C ATOM 317 CG1 ILE A 22 -0.191 -7.283 -5.268 1.00 2.00 C ATOM 318 CG2 ILE A 22 -0.918 -6.189 -7.389 1.00 2.53 C ATOM 319 CD1 ILE A 22 1.042 -6.519 -4.778 1.00 2.47 C ATOM 0 H ILE A 22 0.754 -9.562 -6.111 1.00 2.94 H new ATOM 0 HA ILE A 22 -1.856 -8.731 -6.914 1.00 2.62 H new ATOM 0 HB ILE A 22 0.869 -7.361 -7.148 1.00 2.18 H new ATOM 0 HG12 ILE A 22 -1.099 -6.776 -4.942 1.00 2.00 H new ATOM 0 HG13 ILE A 22 -0.209 -8.282 -4.832 1.00 2.00 H new ATOM 0 HG21 ILE A 22 -0.446 -5.261 -7.065 1.00 2.53 H new ATOM 0 HG22 ILE A 22 -0.894 -6.247 -8.477 1.00 2.53 H new ATOM 0 HG23 ILE A 22 -1.953 -6.209 -7.047 1.00 2.53 H new ATOM 0 HD11 ILE A 22 1.020 -6.452 -3.690 1.00 2.47 H new ATOM 0 HD12 ILE A 22 1.944 -7.045 -5.092 1.00 2.47 H new ATOM 0 HD13 ILE A 22 1.041 -5.515 -5.203 1.00 2.47 H new ATOM 331 N LYS A 23 -1.942 -8.761 -9.395 1.00 3.62 N ATOM 332 CA LYS A 23 -2.007 -8.813 -10.886 1.00 4.61 C ATOM 333 C LYS A 23 -1.964 -7.381 -11.446 1.00 5.00 C ATOM 334 O LYS A 23 -1.618 -7.170 -12.593 1.00 5.88 O ATOM 335 CB LYS A 23 -3.309 -9.498 -11.320 1.00 5.10 C ATOM 336 CG LYS A 23 -3.011 -10.938 -11.747 1.00 5.85 C ATOM 337 CD LYS A 23 -4.302 -11.625 -12.203 1.00 6.35 C ATOM 338 CE LYS A 23 -4.012 -12.489 -13.434 1.00 6.93 C ATOM 339 NZ LYS A 23 -5.249 -13.218 -13.836 1.00 7.72 N ATOM 0 H LYS A 23 -2.847 -8.714 -8.927 1.00 3.62 H new ATOM 0 HA LYS A 23 -1.159 -9.380 -11.270 1.00 4.61 H new ATOM 0 HB2 LYS A 23 -4.027 -9.492 -10.500 1.00 5.10 H new ATOM 0 HB3 LYS A 23 -3.763 -8.949 -12.145 1.00 5.10 H new ATOM 0 HG2 LYS A 23 -2.281 -10.943 -12.556 1.00 5.85 H new ATOM 0 HG3 LYS A 23 -2.570 -11.489 -10.916 1.00 5.85 H new ATOM 0 HD2 LYS A 23 -4.702 -12.242 -11.398 1.00 6.35 H new ATOM 0 HD3 LYS A 23 -5.060 -10.878 -12.440 1.00 6.35 H new ATOM 0 HE2 LYS A 23 -3.663 -11.864 -14.256 1.00 6.93 H new ATOM 0 HE3 LYS A 23 -3.215 -13.199 -13.213 1.00 6.93 H new ATOM 0 HZ1 LYS A 23 -5.050 -13.804 -14.672 1.00 7.72 H new ATOM 0 HZ2 LYS A 23 -5.563 -13.826 -13.053 1.00 7.72 H new ATOM 0 HZ3 LYS A 23 -5.997 -12.533 -14.064 1.00 7.72 H new ATOM 353 N GLU A 24 -2.307 -6.396 -10.639 1.00 4.51 N ATOM 354 CA GLU A 24 -2.281 -4.975 -11.112 1.00 5.13 C ATOM 355 C GLU A 24 -1.906 -4.063 -9.935 1.00 4.55 C ATOM 356 O GLU A 24 -2.718 -3.802 -9.066 1.00 4.65 O ATOM 357 CB GLU A 24 -3.666 -4.584 -11.642 1.00 5.78 C ATOM 358 CG GLU A 24 -3.677 -4.682 -13.169 1.00 6.35 C ATOM 359 CD GLU A 24 -4.845 -3.864 -13.725 1.00 7.36 C ATOM 360 OE1 GLU A 24 -5.956 -4.370 -13.716 1.00 7.77 O ATOM 361 OE2 GLU A 24 -4.609 -2.744 -14.149 1.00 7.92 O ATOM 0 H GLU A 24 -2.604 -6.520 -9.671 1.00 4.51 H new ATOM 0 HA GLU A 24 -1.548 -4.867 -11.911 1.00 5.13 H new ATOM 0 HB2 GLU A 24 -4.427 -5.240 -11.220 1.00 5.78 H new ATOM 0 HB3 GLU A 24 -3.912 -3.569 -11.331 1.00 5.78 H new ATOM 0 HG2 GLU A 24 -2.735 -4.313 -13.574 1.00 6.35 H new ATOM 0 HG3 GLU A 24 -3.770 -5.724 -13.476 1.00 6.35 H new HETATM 368 N MLE A 25 -0.679 -3.589 -9.884 1.00 4.25 N HETATM 369 CN MLE A 25 -0.104 -3.069 -11.168 1.00 5.13 C HETATM 370 CA MLE A 25 -0.266 -2.711 -8.735 1.00 3.66 C HETATM 371 CB MLE A 25 1.094 -3.176 -8.195 1.00 3.52 C HETATM 372 CG MLE A 25 1.626 -2.155 -7.179 1.00 3.28 C HETATM 373 CD1 MLE A 25 2.187 -2.887 -5.961 1.00 2.93 C HETATM 374 CD2 MLE A 25 2.732 -1.309 -7.827 1.00 3.54 C HETATM 375 C MLE A 25 -0.153 -1.248 -9.188 1.00 4.19 C HETATM 376 O MLE A 25 0.799 -0.865 -9.850 1.00 4.87 O HETATM 0 HD23 MLE A 25 3.547 -1.959 -8.147 1.00 3.54 H new HETATM 0 HD22 MLE A 25 2.328 -0.782 -8.691 1.00 3.54 H new HETATM 0 HD21 MLE A 25 3.108 -0.585 -7.104 1.00 3.54 H new HETATM 0 HD13 MLE A 25 1.399 -3.481 -5.498 1.00 2.93 H new HETATM 0 HD12 MLE A 25 2.999 -3.543 -6.273 1.00 2.93 H new HETATM 0 HD11 MLE A 25 2.564 -2.160 -5.241 1.00 2.93 H new HETATM 0 HN3 MLE A 25 -0.467 -2.057 -11.345 1.00 5.13 H new HETATM 0 HN2 MLE A 25 0.984 -3.058 -11.101 1.00 5.13 H new HETATM 0 HN1 MLE A 25 -0.411 -3.714 -11.992 1.00 5.13 H new HETATM 0 HG MLE A 25 0.811 -1.503 -6.864 1.00 3.28 H new HETATM 0 HB3 MLE A 25 0.994 -4.154 -7.724 1.00 3.52 H new HETATM 0 HB2 MLE A 25 1.802 -3.289 -9.016 1.00 3.52 H new HETATM 0 HA MLE A 25 -1.022 -2.784 -7.954 1.00 3.66 H new ATOM 390 N ARG A 26 -1.100 -0.423 -8.834 1.00 4.14 N ATOM 391 CA ARG A 26 -1.013 1.000 -9.248 1.00 4.79 C ATOM 392 C ARG A 26 -1.037 1.910 -8.013 1.00 4.70 C ATOM 393 O ARG A 26 -1.919 1.814 -7.180 1.00 4.97 O ATOM 394 CB ARG A 26 -2.180 1.349 -10.165 1.00 5.59 C ATOM 395 CG ARG A 26 -1.673 2.159 -11.363 1.00 5.99 C ATOM 396 CD ARG A 26 -2.606 3.347 -11.617 1.00 6.35 C ATOM 397 NE ARG A 26 -2.208 4.030 -12.883 1.00 7.16 N ATOM 398 CZ ARG A 26 -3.005 4.010 -13.919 1.00 7.92 C ATOM 399 NH1 ARG A 26 -3.989 4.869 -14.003 1.00 8.32 N ATOM 400 NH2 ARG A 26 -2.816 3.133 -14.872 1.00 8.52 N ATOM 0 H ARG A 26 -1.921 -0.672 -8.282 1.00 4.14 H new ATOM 0 HA ARG A 26 -0.077 1.152 -9.786 1.00 4.79 H new ATOM 0 HB2 ARG A 26 -2.668 0.438 -10.511 1.00 5.59 H new ATOM 0 HB3 ARG A 26 -2.927 1.922 -9.616 1.00 5.59 H new ATOM 0 HG2 ARG A 26 -0.660 2.514 -11.171 1.00 5.99 H new ATOM 0 HG3 ARG A 26 -1.626 1.525 -12.249 1.00 5.99 H new ATOM 0 HD2 ARG A 26 -3.638 3.004 -11.685 1.00 6.35 H new ATOM 0 HD3 ARG A 26 -2.557 4.047 -10.783 1.00 6.35 H new ATOM 0 HE ARG A 26 -1.312 4.514 -12.940 1.00 7.16 H new ATOM 0 HH11 ARG A 26 -4.133 5.553 -13.260 1.00 8.32 H new ATOM 0 HH12 ARG A 26 -4.611 4.854 -14.811 1.00 8.32 H new ATOM 0 HH21 ARG A 26 -2.047 2.466 -14.806 1.00 8.52 H new ATOM 0 HH22 ARG A 26 -3.437 3.117 -15.681 1.00 8.52 H new ATOM 414 N VAL A 27 -0.073 2.790 -7.889 1.00 4.69 N ATOM 415 CA VAL A 27 -0.028 3.708 -6.715 1.00 4.83 C ATOM 416 C VAL A 27 -0.483 5.113 -7.137 1.00 4.79 C ATOM 417 O VAL A 27 -0.322 5.508 -8.279 1.00 5.45 O ATOM 418 CB VAL A 27 1.405 3.769 -6.173 1.00 5.66 C ATOM 419 CG1 VAL A 27 1.788 2.414 -5.574 1.00 6.10 C ATOM 420 CG2 VAL A 27 2.387 4.120 -7.299 1.00 6.04 C ATOM 0 H VAL A 27 0.688 2.910 -8.557 1.00 4.69 H new ATOM 0 HA VAL A 27 -0.695 3.336 -5.937 1.00 4.83 H new ATOM 0 HB VAL A 27 1.454 4.539 -5.404 1.00 5.66 H new ATOM 0 HG11 VAL A 27 2.807 2.461 -5.190 1.00 6.10 H new ATOM 0 HG12 VAL A 27 1.105 2.169 -4.761 1.00 6.10 H new ATOM 0 HG13 VAL A 27 1.726 1.645 -6.344 1.00 6.10 H new ATOM 0 HG21 VAL A 27 3.400 4.160 -6.899 1.00 6.04 H new ATOM 0 HG22 VAL A 27 2.334 3.360 -8.078 1.00 6.04 H new ATOM 0 HG23 VAL A 27 2.125 5.090 -7.721 1.00 6.04 H new ATOM 430 N ILE A 28 -1.044 5.872 -6.224 1.00 4.28 N ATOM 431 CA ILE A 28 -1.505 7.253 -6.568 1.00 4.40 C ATOM 432 C ILE A 28 -0.572 8.275 -5.908 1.00 4.70 C ATOM 433 O ILE A 28 -0.129 8.089 -4.790 1.00 5.01 O ATOM 434 CB ILE A 28 -2.939 7.463 -6.063 1.00 4.45 C ATOM 435 CG1 ILE A 28 -3.869 6.437 -6.721 1.00 4.94 C ATOM 436 CG2 ILE A 28 -3.411 8.878 -6.418 1.00 4.49 C ATOM 437 CD1 ILE A 28 -5.269 6.542 -6.110 1.00 5.05 C ATOM 0 H ILE A 28 -1.202 5.593 -5.256 1.00 4.28 H new ATOM 0 HA ILE A 28 -1.486 7.384 -7.650 1.00 4.40 H new ATOM 0 HB ILE A 28 -2.961 7.335 -4.981 1.00 4.45 H new ATOM 0 HG12 ILE A 28 -3.917 6.612 -7.796 1.00 4.94 H new ATOM 0 HG13 ILE A 28 -3.474 5.431 -6.579 1.00 4.94 H new ATOM 0 HG21 ILE A 28 -4.429 9.023 -6.058 1.00 4.49 H new ATOM 0 HG22 ILE A 28 -2.753 9.609 -5.949 1.00 4.49 H new ATOM 0 HG23 ILE A 28 -3.387 9.009 -7.500 1.00 4.49 H new ATOM 0 HD11 ILE A 28 -5.927 5.811 -6.580 1.00 5.05 H new ATOM 0 HD12 ILE A 28 -5.214 6.345 -5.039 1.00 5.05 H new ATOM 0 HD13 ILE A 28 -5.664 7.545 -6.275 1.00 5.05 H new ATOM 449 N GLU A 29 -0.275 9.353 -6.596 1.00 5.08 N ATOM 450 CA GLU A 29 0.628 10.395 -6.020 1.00 5.75 C ATOM 451 C GLU A 29 -0.099 11.162 -4.906 1.00 5.30 C ATOM 452 O GLU A 29 -1.248 10.896 -4.599 1.00 4.95 O ATOM 453 CB GLU A 29 1.039 11.370 -7.126 1.00 6.63 C ATOM 454 CG GLU A 29 2.165 10.753 -7.961 1.00 7.40 C ATOM 455 CD GLU A 29 2.797 11.829 -8.849 1.00 8.35 C ATOM 456 OE1 GLU A 29 3.711 12.492 -8.385 1.00 9.09 O ATOM 457 OE2 GLU A 29 2.354 11.973 -9.977 1.00 8.53 O ATOM 0 H GLU A 29 -0.621 9.554 -7.534 1.00 5.08 H new ATOM 0 HA GLU A 29 1.513 9.915 -5.602 1.00 5.75 H new ATOM 0 HB2 GLU A 29 0.183 11.597 -7.762 1.00 6.63 H new ATOM 0 HB3 GLU A 29 1.370 12.312 -6.690 1.00 6.63 H new ATOM 0 HG2 GLU A 29 2.920 10.318 -7.306 1.00 7.40 H new ATOM 0 HG3 GLU A 29 1.773 9.944 -8.577 1.00 7.40 H new ATOM 464 N SER A 30 0.568 12.113 -4.296 1.00 5.67 N ATOM 465 CA SER A 30 -0.067 12.903 -3.200 1.00 5.68 C ATOM 466 C SER A 30 -0.350 14.332 -3.686 1.00 6.20 C ATOM 467 O SER A 30 0.149 14.765 -4.709 1.00 6.77 O ATOM 468 CB SER A 30 0.874 12.951 -1.993 1.00 6.35 C ATOM 469 OG SER A 30 2.227 12.951 -2.433 1.00 7.18 O ATOM 0 H SER A 30 1.530 12.375 -4.513 1.00 5.67 H new ATOM 0 HA SER A 30 -1.005 12.429 -2.912 1.00 5.68 H new ATOM 0 HB2 SER A 30 0.675 13.844 -1.401 1.00 6.35 H new ATOM 0 HB3 SER A 30 0.693 12.093 -1.346 1.00 6.35 H new ATOM 0 HG SER A 30 2.824 12.984 -1.656 1.00 7.18 H new ATOM 475 N GLY A 31 -1.150 15.061 -2.950 1.00 6.36 N ATOM 476 CA GLY A 31 -1.487 16.465 -3.342 1.00 7.19 C ATOM 477 C GLY A 31 -2.433 17.063 -2.291 1.00 7.66 C ATOM 478 O GLY A 31 -2.453 16.615 -1.160 1.00 7.75 O ATOM 0 H GLY A 31 -1.588 14.741 -2.086 1.00 6.36 H new ATOM 0 HA2 GLY A 31 -0.579 17.064 -3.416 1.00 7.19 H new ATOM 0 HA3 GLY A 31 -1.959 16.479 -4.325 1.00 7.19 H new ATOM 482 N PRO A 32 -3.216 18.038 -2.698 1.00 8.17 N ATOM 483 CA PRO A 32 -4.203 18.678 -1.804 1.00 8.85 C ATOM 484 C PRO A 32 -5.378 17.712 -1.592 1.00 8.11 C ATOM 485 O PRO A 32 -5.947 17.631 -0.519 1.00 8.52 O ATOM 486 CB PRO A 32 -4.621 19.940 -2.565 1.00 9.69 C ATOM 487 CG PRO A 32 -4.287 19.683 -4.053 1.00 9.20 C ATOM 488 CD PRO A 32 -3.202 18.588 -4.073 1.00 8.39 C ATOM 0 HA PRO A 32 -3.822 18.923 -0.812 1.00 8.85 H new ATOM 0 HB2 PRO A 32 -5.685 20.138 -2.434 1.00 9.69 H new ATOM 0 HB3 PRO A 32 -4.086 20.813 -2.192 1.00 9.69 H new ATOM 0 HG2 PRO A 32 -5.173 19.361 -4.600 1.00 9.20 H new ATOM 0 HG3 PRO A 32 -3.929 20.593 -4.533 1.00 9.20 H new ATOM 0 HD2 PRO A 32 -3.426 17.819 -4.812 1.00 8.39 H new ATOM 0 HD3 PRO A 32 -2.225 19.000 -4.327 1.00 8.39 H new ATOM 496 N HIS A 33 -5.707 16.956 -2.614 1.00 7.21 N ATOM 497 CA HIS A 33 -6.804 15.943 -2.523 1.00 6.64 C ATOM 498 C HIS A 33 -6.461 14.918 -1.425 1.00 5.94 C ATOM 499 O HIS A 33 -7.332 14.400 -0.751 1.00 6.05 O ATOM 500 CB HIS A 33 -6.936 15.215 -3.877 1.00 6.27 C ATOM 501 CG HIS A 33 -5.605 14.611 -4.270 1.00 5.79 C ATOM 502 ND1 HIS A 33 -4.612 15.347 -4.903 1.00 6.54 N ATOM 503 CD2 HIS A 33 -5.074 13.356 -4.085 1.00 4.91 C ATOM 504 CE1 HIS A 33 -3.545 14.544 -5.061 1.00 6.20 C ATOM 505 NE2 HIS A 33 -3.773 13.317 -4.583 1.00 5.23 N ATOM 0 H HIS A 33 -5.251 17.001 -3.525 1.00 7.21 H new ATOM 0 HA HIS A 33 -7.743 16.439 -2.279 1.00 6.64 H new ATOM 0 HB2 HIS A 33 -7.693 14.434 -3.807 1.00 6.27 H new ATOM 0 HB3 HIS A 33 -7.269 15.914 -4.644 1.00 6.27 H new ATOM 0 HD2 HIS A 33 -5.588 12.526 -3.623 1.00 4.91 H new ATOM 0 HE1 HIS A 33 -2.617 14.853 -5.518 1.00 6.20 H new ATOM 0 HE2 HIS A 33 -3.133 12.523 -4.583 1.00 5.23 H new ATOM 513 N CYS A 34 -5.189 14.636 -1.246 1.00 5.51 N ATOM 514 CA CYS A 34 -4.746 13.668 -0.209 1.00 5.12 C ATOM 515 C CYS A 34 -3.253 13.893 0.067 1.00 5.54 C ATOM 516 O CYS A 34 -2.407 13.565 -0.745 1.00 5.84 O ATOM 517 CB CYS A 34 -4.975 12.234 -0.700 1.00 4.12 C ATOM 518 SG CYS A 34 -5.446 11.187 0.698 1.00 4.37 S ATOM 0 H CYS A 34 -4.431 15.049 -1.790 1.00 5.51 H new ATOM 0 HA CYS A 34 -5.319 13.818 0.706 1.00 5.12 H new ATOM 0 HB2 CYS A 34 -5.757 12.219 -1.459 1.00 4.12 H new ATOM 0 HB3 CYS A 34 -4.069 11.849 -1.168 1.00 4.12 H new ATOM 523 N ALA A 35 -2.929 14.467 1.201 1.00 5.90 N ATOM 524 CA ALA A 35 -1.494 14.741 1.538 1.00 6.66 C ATOM 525 C ALA A 35 -0.695 13.435 1.615 1.00 6.33 C ATOM 526 O ALA A 35 0.416 13.352 1.124 1.00 6.77 O ATOM 527 CB ALA A 35 -1.419 15.459 2.888 1.00 7.59 C ATOM 0 H ALA A 35 -3.600 14.759 1.912 1.00 5.90 H new ATOM 0 HA ALA A 35 -1.066 15.367 0.755 1.00 6.66 H new ATOM 0 HB1 ALA A 35 -0.377 15.660 3.136 1.00 7.59 H new ATOM 0 HB2 ALA A 35 -1.966 16.400 2.830 1.00 7.59 H new ATOM 0 HB3 ALA A 35 -1.861 14.829 3.660 1.00 7.59 H new ATOM 533 N ASN A 36 -1.248 12.421 2.232 1.00 5.85 N ATOM 534 CA ASN A 36 -0.523 11.120 2.350 1.00 5.88 C ATOM 535 C ASN A 36 -0.656 10.328 1.044 1.00 5.34 C ATOM 536 O ASN A 36 -1.728 10.236 0.471 1.00 5.26 O ATOM 537 CB ASN A 36 -1.121 10.303 3.501 1.00 6.50 C ATOM 538 CG ASN A 36 -0.383 10.623 4.805 1.00 7.27 C ATOM 539 OD1 ASN A 36 -0.332 11.763 5.226 1.00 7.78 O ATOM 540 ND2 ASN A 36 0.195 9.659 5.469 1.00 7.61 N ATOM 0 H ASN A 36 -2.174 12.439 2.660 1.00 5.85 H new ATOM 0 HA ASN A 36 0.531 11.316 2.547 1.00 5.88 H new ATOM 0 HB2 ASN A 36 -2.182 10.531 3.608 1.00 6.50 H new ATOM 0 HB3 ASN A 36 -1.044 9.238 3.281 1.00 6.50 H new ATOM 0 HD21 ASN A 36 0.688 9.863 6.339 1.00 7.61 H new ATOM 0 HD22 ASN A 36 0.154 8.702 5.118 1.00 7.61 H new ATOM 547 N THR A 37 0.425 9.746 0.580 1.00 5.30 N ATOM 548 CA THR A 37 0.374 8.943 -0.685 1.00 5.18 C ATOM 549 C THR A 37 -0.460 7.676 -0.439 1.00 4.58 C ATOM 550 O THR A 37 -0.560 7.202 0.678 1.00 4.95 O ATOM 551 CB THR A 37 1.801 8.551 -1.104 1.00 5.98 C ATOM 552 OG1 THR A 37 2.688 9.640 -0.869 1.00 6.76 O ATOM 553 CG2 THR A 37 1.822 8.190 -2.591 1.00 6.31 C ATOM 0 H THR A 37 1.342 9.792 1.023 1.00 5.30 H new ATOM 0 HA THR A 37 -0.081 9.534 -1.480 1.00 5.18 H new ATOM 0 HB THR A 37 2.121 7.690 -0.517 1.00 5.98 H new ATOM 0 HG1 THR A 37 3.596 9.386 -1.136 1.00 6.76 H new ATOM 0 HG21 THR A 37 2.835 7.913 -2.884 1.00 6.31 H new ATOM 0 HG22 THR A 37 1.150 7.351 -2.771 1.00 6.31 H new ATOM 0 HG23 THR A 37 1.497 9.049 -3.178 1.00 6.31 H new ATOM 561 N GLU A 38 -1.069 7.131 -1.467 1.00 3.94 N ATOM 562 CA GLU A 38 -1.900 5.904 -1.276 1.00 3.67 C ATOM 563 C GLU A 38 -1.548 4.863 -2.341 1.00 2.99 C ATOM 564 O GLU A 38 -1.624 5.125 -3.526 1.00 3.33 O ATOM 565 CB GLU A 38 -3.385 6.268 -1.388 1.00 4.35 C ATOM 566 CG GLU A 38 -4.196 5.437 -0.387 1.00 4.96 C ATOM 567 CD GLU A 38 -4.243 6.159 0.962 1.00 5.76 C ATOM 568 OE1 GLU A 38 -3.346 5.940 1.762 1.00 6.10 O ATOM 569 OE2 GLU A 38 -5.174 6.919 1.175 1.00 6.28 O ATOM 0 H GLU A 38 -1.025 7.482 -2.424 1.00 3.94 H new ATOM 0 HA GLU A 38 -1.699 5.488 -0.289 1.00 3.67 H new ATOM 0 HB2 GLU A 38 -3.525 7.331 -1.191 1.00 4.35 H new ATOM 0 HB3 GLU A 38 -3.740 6.082 -2.402 1.00 4.35 H new ATOM 0 HG2 GLU A 38 -5.207 5.282 -0.763 1.00 4.96 H new ATOM 0 HG3 GLU A 38 -3.745 4.452 -0.268 1.00 4.96 H new ATOM 576 N ILE A 39 -1.179 3.677 -1.921 1.00 2.48 N ATOM 577 CA ILE A 39 -0.838 2.604 -2.899 1.00 2.38 C ATOM 578 C ILE A 39 -2.111 1.799 -3.195 1.00 2.16 C ATOM 579 O ILE A 39 -3.042 1.795 -2.413 1.00 2.22 O ATOM 580 CB ILE A 39 0.239 1.693 -2.282 1.00 2.57 C ATOM 581 CG1 ILE A 39 1.591 2.418 -2.289 1.00 2.79 C ATOM 582 CG2 ILE A 39 0.367 0.389 -3.082 1.00 3.44 C ATOM 583 CD1 ILE A 39 1.840 3.061 -0.923 1.00 2.94 C ATOM 0 H ILE A 39 -1.100 3.408 -0.940 1.00 2.48 H new ATOM 0 HA ILE A 39 -0.453 3.030 -3.826 1.00 2.38 H new ATOM 0 HB ILE A 39 -0.054 1.456 -1.259 1.00 2.57 H new ATOM 0 HG12 ILE A 39 2.390 1.714 -2.521 1.00 2.79 H new ATOM 0 HG13 ILE A 39 1.601 3.181 -3.068 1.00 2.79 H new ATOM 0 HG21 ILE A 39 1.133 -0.241 -2.630 1.00 3.44 H new ATOM 0 HG22 ILE A 39 -0.587 -0.138 -3.074 1.00 3.44 H new ATOM 0 HG23 ILE A 39 0.646 0.619 -4.110 1.00 3.44 H new ATOM 0 HD11 ILE A 39 2.801 3.575 -0.932 1.00 2.94 H new ATOM 0 HD12 ILE A 39 1.047 3.778 -0.708 1.00 2.94 H new ATOM 0 HD13 ILE A 39 1.849 2.289 -0.154 1.00 2.94 H new ATOM 595 N ILE A 40 -2.161 1.116 -4.312 1.00 2.34 N ATOM 596 CA ILE A 40 -3.368 0.297 -4.643 1.00 2.36 C ATOM 597 C ILE A 40 -2.923 -0.936 -5.425 1.00 2.37 C ATOM 598 O ILE A 40 -2.090 -0.856 -6.307 1.00 3.02 O ATOM 599 CB ILE A 40 -4.369 1.095 -5.488 1.00 3.14 C ATOM 600 CG1 ILE A 40 -4.632 2.459 -4.841 1.00 3.44 C ATOM 601 CG2 ILE A 40 -5.686 0.312 -5.570 1.00 3.70 C ATOM 602 CD1 ILE A 40 -5.374 3.363 -5.828 1.00 4.01 C ATOM 0 H ILE A 40 -1.417 1.090 -5.010 1.00 2.34 H new ATOM 0 HA ILE A 40 -3.860 0.010 -3.714 1.00 2.36 H new ATOM 0 HB ILE A 40 -3.959 1.247 -6.486 1.00 3.14 H new ATOM 0 HG12 ILE A 40 -5.222 2.334 -3.933 1.00 3.44 H new ATOM 0 HG13 ILE A 40 -3.689 2.921 -4.548 1.00 3.44 H new ATOM 0 HG21 ILE A 40 -6.405 0.871 -6.169 1.00 3.70 H new ATOM 0 HG22 ILE A 40 -5.504 -0.658 -6.033 1.00 3.70 H new ATOM 0 HG23 ILE A 40 -6.086 0.166 -4.566 1.00 3.70 H new ATOM 0 HD11 ILE A 40 -5.560 4.332 -5.365 1.00 4.01 H new ATOM 0 HD12 ILE A 40 -4.768 3.499 -6.724 1.00 4.01 H new ATOM 0 HD13 ILE A 40 -6.324 2.903 -6.099 1.00 4.01 H new ATOM 614 N VAL A 41 -3.464 -2.076 -5.097 1.00 2.04 N ATOM 615 CA VAL A 41 -3.085 -3.323 -5.795 1.00 2.10 C ATOM 616 C VAL A 41 -4.340 -4.171 -6.038 1.00 2.33 C ATOM 617 O VAL A 41 -5.380 -3.941 -5.447 1.00 2.79 O ATOM 618 CB VAL A 41 -2.103 -4.101 -4.921 1.00 2.21 C ATOM 619 CG1 VAL A 41 -0.787 -3.328 -4.807 1.00 2.87 C ATOM 620 CG2 VAL A 41 -2.687 -4.315 -3.519 1.00 3.20 C ATOM 0 H VAL A 41 -4.163 -2.192 -4.363 1.00 2.04 H new ATOM 0 HA VAL A 41 -2.619 -3.087 -6.752 1.00 2.10 H new ATOM 0 HB VAL A 41 -1.921 -5.071 -5.383 1.00 2.21 H new ATOM 0 HG11 VAL A 41 -0.090 -3.887 -4.183 1.00 2.87 H new ATOM 0 HG12 VAL A 41 -0.357 -3.193 -5.800 1.00 2.87 H new ATOM 0 HG13 VAL A 41 -0.975 -2.353 -4.357 1.00 2.87 H new ATOM 0 HG21 VAL A 41 -1.975 -4.871 -2.909 1.00 3.20 H new ATOM 0 HG22 VAL A 41 -2.885 -3.348 -3.056 1.00 3.20 H new ATOM 0 HG23 VAL A 41 -3.617 -4.878 -3.594 1.00 3.20 H new ATOM 630 N LYS A 42 -4.247 -5.151 -6.896 1.00 2.44 N ATOM 631 CA LYS A 42 -5.421 -6.025 -7.176 1.00 2.97 C ATOM 632 C LYS A 42 -4.987 -7.492 -7.087 1.00 2.77 C ATOM 633 O LYS A 42 -4.437 -8.043 -8.024 1.00 2.98 O ATOM 634 CB LYS A 42 -5.966 -5.727 -8.578 1.00 3.77 C ATOM 635 CG LYS A 42 -7.355 -5.093 -8.465 1.00 4.68 C ATOM 636 CD LYS A 42 -8.153 -5.375 -9.740 1.00 5.42 C ATOM 637 CE LYS A 42 -9.631 -5.583 -9.389 1.00 5.72 C ATOM 638 NZ LYS A 42 -10.260 -4.270 -9.060 1.00 6.76 N ATOM 0 H LYS A 42 -3.402 -5.385 -7.418 1.00 2.44 H new ATOM 0 HA LYS A 42 -6.205 -5.832 -6.444 1.00 2.97 H new ATOM 0 HB2 LYS A 42 -5.290 -5.055 -9.107 1.00 3.77 H new ATOM 0 HB3 LYS A 42 -6.021 -6.646 -9.161 1.00 3.77 H new ATOM 0 HG2 LYS A 42 -7.880 -5.495 -7.599 1.00 4.68 H new ATOM 0 HG3 LYS A 42 -7.264 -4.018 -8.311 1.00 4.68 H new ATOM 0 HD2 LYS A 42 -8.048 -4.544 -10.437 1.00 5.42 H new ATOM 0 HD3 LYS A 42 -7.759 -6.261 -10.238 1.00 5.42 H new ATOM 0 HE2 LYS A 42 -10.152 -6.047 -10.227 1.00 5.72 H new ATOM 0 HE3 LYS A 42 -9.721 -6.263 -8.542 1.00 5.72 H new ATOM 0 HZ1 LYS A 42 -11.262 -4.415 -8.823 1.00 6.76 H new ATOM 0 HZ2 LYS A 42 -9.770 -3.844 -8.248 1.00 6.76 H new ATOM 0 HZ3 LYS A 42 -10.187 -3.635 -9.880 1.00 6.76 H new ATOM 652 N LEU A 43 -5.222 -8.120 -5.958 1.00 3.01 N ATOM 653 CA LEU A 43 -4.826 -9.549 -5.776 1.00 3.31 C ATOM 654 C LEU A 43 -5.431 -10.422 -6.880 1.00 3.92 C ATOM 655 O LEU A 43 -6.530 -10.178 -7.351 1.00 4.54 O ATOM 656 CB LEU A 43 -5.327 -10.044 -4.420 1.00 4.01 C ATOM 657 CG LEU A 43 -4.404 -9.533 -3.307 1.00 3.77 C ATOM 658 CD1 LEU A 43 -5.039 -9.811 -1.941 1.00 4.46 C ATOM 659 CD2 LEU A 43 -3.049 -10.245 -3.391 1.00 3.91 C ATOM 0 H LEU A 43 -5.676 -7.697 -5.149 1.00 3.01 H new ATOM 0 HA LEU A 43 -3.739 -9.618 -5.825 1.00 3.31 H new ATOM 0 HB2 LEU A 43 -6.346 -9.695 -4.249 1.00 4.01 H new ATOM 0 HB3 LEU A 43 -5.357 -11.134 -4.409 1.00 4.01 H new ATOM 0 HG LEU A 43 -4.259 -8.460 -3.429 1.00 3.77 H new ATOM 0 HD11 LEU A 43 -4.380 -9.447 -1.153 1.00 4.46 H new ATOM 0 HD12 LEU A 43 -6.000 -9.301 -1.876 1.00 4.46 H new ATOM 0 HD13 LEU A 43 -5.189 -10.884 -1.821 1.00 4.46 H new ATOM 0 HD21 LEU A 43 -2.396 -9.879 -2.599 1.00 3.91 H new ATOM 0 HD22 LEU A 43 -3.194 -11.319 -3.275 1.00 3.91 H new ATOM 0 HD23 LEU A 43 -2.592 -10.044 -4.360 1.00 3.91 H new ATOM 671 N SER A 44 -4.703 -11.440 -7.280 1.00 3.99 N ATOM 672 CA SER A 44 -5.176 -12.370 -8.355 1.00 4.72 C ATOM 673 C SER A 44 -6.537 -12.986 -7.994 1.00 5.55 C ATOM 674 O SER A 44 -7.285 -13.387 -8.866 1.00 6.08 O ATOM 675 CB SER A 44 -4.147 -13.491 -8.548 1.00 4.98 C ATOM 676 OG SER A 44 -3.985 -14.202 -7.326 1.00 5.08 O ATOM 0 H SER A 44 -3.785 -11.668 -6.899 1.00 3.99 H new ATOM 0 HA SER A 44 -5.289 -11.800 -9.277 1.00 4.72 H new ATOM 0 HB2 SER A 44 -4.476 -14.170 -9.335 1.00 4.98 H new ATOM 0 HB3 SER A 44 -3.192 -13.072 -8.867 1.00 4.98 H new ATOM 0 HG SER A 44 -3.329 -14.919 -7.449 1.00 5.08 H new ATOM 682 N ASP A 45 -6.867 -13.066 -6.723 1.00 5.91 N ATOM 683 CA ASP A 45 -8.175 -13.652 -6.317 1.00 7.02 C ATOM 684 C ASP A 45 -9.327 -12.671 -6.616 1.00 7.25 C ATOM 685 O ASP A 45 -10.476 -12.960 -6.335 1.00 8.19 O ATOM 686 CB ASP A 45 -8.149 -13.956 -4.816 1.00 7.64 C ATOM 687 CG ASP A 45 -7.271 -15.183 -4.555 1.00 8.01 C ATOM 688 OD1 ASP A 45 -6.067 -15.015 -4.452 1.00 7.89 O ATOM 689 OD2 ASP A 45 -7.819 -16.271 -4.465 1.00 8.63 O ATOM 0 H ASP A 45 -6.280 -12.748 -5.952 1.00 5.91 H new ATOM 0 HA ASP A 45 -8.338 -14.569 -6.884 1.00 7.02 H new ATOM 0 HB2 ASP A 45 -7.763 -13.097 -4.267 1.00 7.64 H new ATOM 0 HB3 ASP A 45 -9.161 -14.137 -4.454 1.00 7.64 H new ATOM 694 N GLY A 46 -9.034 -11.514 -7.171 1.00 6.57 N ATOM 695 CA GLY A 46 -10.106 -10.523 -7.469 1.00 7.07 C ATOM 696 C GLY A 46 -10.299 -9.616 -6.252 1.00 6.74 C ATOM 697 O GLY A 46 -11.396 -9.171 -5.971 1.00 7.17 O ATOM 0 H GLY A 46 -8.092 -11.219 -7.429 1.00 6.57 H new ATOM 0 HA2 GLY A 46 -9.837 -9.929 -8.342 1.00 7.07 H new ATOM 0 HA3 GLY A 46 -11.038 -11.036 -7.707 1.00 7.07 H new ATOM 701 N ARG A 47 -9.239 -9.347 -5.521 1.00 6.21 N ATOM 702 CA ARG A 47 -9.360 -8.479 -4.315 1.00 6.07 C ATOM 703 C ARG A 47 -8.723 -7.112 -4.597 1.00 5.32 C ATOM 704 O ARG A 47 -7.903 -6.971 -5.484 1.00 5.06 O ATOM 705 CB ARG A 47 -8.629 -9.156 -3.149 1.00 6.43 C ATOM 706 CG ARG A 47 -9.160 -8.626 -1.812 1.00 7.27 C ATOM 707 CD ARG A 47 -10.292 -9.529 -1.314 1.00 7.96 C ATOM 708 NE ARG A 47 -10.463 -9.349 0.157 1.00 8.82 N ATOM 709 CZ ARG A 47 -11.645 -9.488 0.702 1.00 9.62 C ATOM 710 NH1 ARG A 47 -12.100 -10.682 0.985 1.00 10.15 N ATOM 711 NH2 ARG A 47 -12.369 -8.433 0.966 1.00 10.10 N ATOM 0 H ARG A 47 -8.299 -9.693 -5.712 1.00 6.21 H new ATOM 0 HA ARG A 47 -10.411 -8.336 -4.064 1.00 6.07 H new ATOM 0 HB2 ARG A 47 -8.768 -10.236 -3.201 1.00 6.43 H new ATOM 0 HB3 ARG A 47 -7.558 -8.968 -3.223 1.00 6.43 H new ATOM 0 HG2 ARG A 47 -8.356 -8.595 -1.077 1.00 7.27 H new ATOM 0 HG3 ARG A 47 -9.522 -7.605 -1.932 1.00 7.27 H new ATOM 0 HD2 ARG A 47 -11.220 -9.285 -1.831 1.00 7.96 H new ATOM 0 HD3 ARG A 47 -10.066 -10.571 -1.540 1.00 7.96 H new ATOM 0 HE ARG A 47 -9.658 -9.117 0.739 1.00 8.82 H new ATOM 0 HH11 ARG A 47 -11.533 -11.505 0.781 1.00 10.15 H new ATOM 0 HH12 ARG A 47 -13.021 -10.789 1.410 1.00 10.15 H new ATOM 0 HH21 ARG A 47 -12.013 -7.502 0.747 1.00 10.10 H new ATOM 0 HH22 ARG A 47 -13.290 -8.540 1.391 1.00 10.10 H new ATOM 725 N GLU A 48 -9.091 -6.110 -3.840 1.00 5.24 N ATOM 726 CA GLU A 48 -8.504 -4.752 -4.037 1.00 4.73 C ATOM 727 C GLU A 48 -8.026 -4.241 -2.675 1.00 4.69 C ATOM 728 O GLU A 48 -8.822 -3.983 -1.789 1.00 5.44 O ATOM 729 CB GLU A 48 -9.561 -3.804 -4.612 1.00 5.60 C ATOM 730 CG GLU A 48 -8.871 -2.706 -5.428 1.00 5.76 C ATOM 731 CD GLU A 48 -9.743 -1.447 -5.437 1.00 6.79 C ATOM 732 OE1 GLU A 48 -9.746 -0.744 -4.439 1.00 7.12 O ATOM 733 OE2 GLU A 48 -10.392 -1.208 -6.443 1.00 7.44 O ATOM 0 H GLU A 48 -9.778 -6.176 -3.089 1.00 5.24 H new ATOM 0 HA GLU A 48 -7.669 -4.798 -4.736 1.00 4.73 H new ATOM 0 HB2 GLU A 48 -10.257 -4.357 -5.242 1.00 5.60 H new ATOM 0 HB3 GLU A 48 -10.145 -3.360 -3.805 1.00 5.60 H new ATOM 0 HG2 GLU A 48 -7.894 -2.481 -5.000 1.00 5.76 H new ATOM 0 HG3 GLU A 48 -8.701 -3.050 -6.448 1.00 5.76 H new ATOM 740 N LEU A 49 -6.735 -4.118 -2.495 1.00 4.08 N ATOM 741 CA LEU A 49 -6.204 -3.649 -1.178 1.00 4.35 C ATOM 742 C LEU A 49 -5.282 -2.447 -1.374 1.00 3.99 C ATOM 743 O LEU A 49 -4.293 -2.524 -2.071 1.00 3.87 O ATOM 744 CB LEU A 49 -5.397 -4.773 -0.520 1.00 4.67 C ATOM 745 CG LEU A 49 -6.143 -5.325 0.696 1.00 4.92 C ATOM 746 CD1 LEU A 49 -7.212 -6.320 0.240 1.00 5.51 C ATOM 747 CD2 LEU A 49 -5.148 -6.039 1.614 1.00 4.69 C ATOM 0 H LEU A 49 -6.027 -4.321 -3.201 1.00 4.08 H new ATOM 0 HA LEU A 49 -7.047 -3.366 -0.548 1.00 4.35 H new ATOM 0 HB2 LEU A 49 -5.221 -5.572 -1.240 1.00 4.67 H new ATOM 0 HB3 LEU A 49 -4.420 -4.397 -0.215 1.00 4.67 H new ATOM 0 HG LEU A 49 -6.620 -4.504 1.232 1.00 4.92 H new ATOM 0 HD11 LEU A 49 -7.740 -6.710 1.110 1.00 5.51 H new ATOM 0 HD12 LEU A 49 -7.920 -5.817 -0.419 1.00 5.51 H new ATOM 0 HD13 LEU A 49 -6.738 -7.143 -0.296 1.00 5.51 H new ATOM 0 HD21 LEU A 49 -5.674 -6.435 2.483 1.00 4.69 H new ATOM 0 HD22 LEU A 49 -4.676 -6.858 1.072 1.00 4.69 H new ATOM 0 HD23 LEU A 49 -4.385 -5.333 1.942 1.00 4.69 H new ATOM 759 N CYS A 50 -5.573 -1.354 -0.723 1.00 3.99 N ATOM 760 CA CYS A 50 -4.685 -0.165 -0.836 1.00 3.63 C ATOM 761 C CYS A 50 -3.585 -0.334 0.202 1.00 3.49 C ATOM 762 O CYS A 50 -3.854 -0.675 1.334 1.00 4.14 O ATOM 763 CB CYS A 50 -5.440 1.127 -0.551 1.00 3.72 C ATOM 764 SG CYS A 50 -7.231 0.882 -0.700 1.00 4.64 S ATOM 0 H CYS A 50 -6.386 -1.234 -0.119 1.00 3.99 H new ATOM 0 HA CYS A 50 -4.289 -0.099 -1.849 1.00 3.63 H new ATOM 0 HB2 CYS A 50 -5.200 1.478 0.452 1.00 3.72 H new ATOM 0 HB3 CYS A 50 -5.117 1.902 -1.246 1.00 3.72 H new ATOM 769 N LEU A 51 -2.354 -0.137 -0.170 1.00 2.91 N ATOM 770 CA LEU A 51 -1.252 -0.331 0.801 1.00 2.96 C ATOM 771 C LEU A 51 -0.906 0.971 1.514 1.00 3.35 C ATOM 772 O LEU A 51 -1.143 2.062 1.022 1.00 3.56 O ATOM 773 CB LEU A 51 -0.021 -0.865 0.079 1.00 2.71 C ATOM 774 CG LEU A 51 -0.374 -2.119 -0.744 1.00 2.56 C ATOM 775 CD1 LEU A 51 0.874 -2.982 -0.896 1.00 2.98 C ATOM 776 CD2 LEU A 51 -1.455 -2.946 -0.035 1.00 2.61 C ATOM 0 H LEU A 51 -2.066 0.150 -1.105 1.00 2.91 H new ATOM 0 HA LEU A 51 -1.582 -1.050 1.551 1.00 2.96 H new ATOM 0 HB2 LEU A 51 0.384 -0.095 -0.578 1.00 2.71 H new ATOM 0 HB3 LEU A 51 0.756 -1.107 0.804 1.00 2.71 H new ATOM 0 HG LEU A 51 -0.747 -1.803 -1.718 1.00 2.56 H new ATOM 0 HD11 LEU A 51 0.632 -3.872 -1.477 1.00 2.98 H new ATOM 0 HD12 LEU A 51 1.650 -2.413 -1.409 1.00 2.98 H new ATOM 0 HD13 LEU A 51 1.233 -3.279 0.089 1.00 2.98 H new ATOM 0 HD21 LEU A 51 -1.690 -3.827 -0.633 1.00 2.61 H new ATOM 0 HD22 LEU A 51 -1.091 -3.258 0.944 1.00 2.61 H new ATOM 0 HD23 LEU A 51 -2.353 -2.341 0.088 1.00 2.61 H new ATOM 788 N ASP A 52 -0.341 0.835 2.685 1.00 3.84 N ATOM 789 CA ASP A 52 0.045 2.017 3.502 1.00 4.35 C ATOM 790 C ASP A 52 1.556 2.263 3.367 1.00 4.47 C ATOM 791 O ASP A 52 2.353 1.420 3.743 1.00 4.73 O ATOM 792 CB ASP A 52 -0.297 1.730 4.972 1.00 4.93 C ATOM 793 CG ASP A 52 -0.563 3.041 5.729 1.00 5.39 C ATOM 794 OD1 ASP A 52 0.129 4.014 5.471 1.00 5.40 O ATOM 795 OD2 ASP A 52 -1.452 3.045 6.562 1.00 5.96 O ATOM 0 H ASP A 52 -0.128 -0.065 3.115 1.00 3.84 H new ATOM 0 HA ASP A 52 -0.494 2.900 3.158 1.00 4.35 H new ATOM 0 HB2 ASP A 52 -1.175 1.086 5.028 1.00 4.93 H new ATOM 0 HB3 ASP A 52 0.524 1.191 5.444 1.00 4.93 H new ATOM 800 N PRO A 53 1.912 3.421 2.854 1.00 4.54 N ATOM 801 CA PRO A 53 3.328 3.800 2.674 1.00 4.96 C ATOM 802 C PRO A 53 4.010 4.059 4.030 1.00 5.21 C ATOM 803 O PRO A 53 5.216 4.208 4.097 1.00 5.67 O ATOM 804 CB PRO A 53 3.261 5.064 1.811 1.00 5.26 C ATOM 805 CG PRO A 53 1.841 5.642 1.994 1.00 5.04 C ATOM 806 CD PRO A 53 0.950 4.462 2.424 1.00 4.55 C ATOM 0 HA PRO A 53 3.924 3.016 2.207 1.00 4.96 H new ATOM 0 HB2 PRO A 53 4.017 5.786 2.120 1.00 5.26 H new ATOM 0 HB3 PRO A 53 3.453 4.830 0.764 1.00 5.26 H new ATOM 0 HG2 PRO A 53 1.835 6.429 2.748 1.00 5.04 H new ATOM 0 HG3 PRO A 53 1.479 6.086 1.067 1.00 5.04 H new ATOM 0 HD2 PRO A 53 0.279 4.744 3.235 1.00 4.55 H new ATOM 0 HD3 PRO A 53 0.326 4.113 1.601 1.00 4.55 H new ATOM 814 N LYS A 54 3.252 4.093 5.111 1.00 5.18 N ATOM 815 CA LYS A 54 3.860 4.314 6.454 1.00 5.61 C ATOM 816 C LYS A 54 4.861 3.190 6.759 1.00 5.02 C ATOM 817 O LYS A 54 5.821 3.393 7.480 1.00 5.42 O ATOM 818 CB LYS A 54 2.762 4.323 7.528 1.00 6.23 C ATOM 819 CG LYS A 54 2.755 5.672 8.255 1.00 7.12 C ATOM 820 CD LYS A 54 1.792 5.608 9.445 1.00 7.85 C ATOM 821 CE LYS A 54 2.354 6.436 10.604 1.00 8.63 C ATOM 822 NZ LYS A 54 1.354 6.495 11.708 1.00 9.56 N ATOM 0 H LYS A 54 2.239 3.976 5.111 1.00 5.18 H new ATOM 0 HA LYS A 54 4.377 5.274 6.457 1.00 5.61 H new ATOM 0 HB2 LYS A 54 1.790 4.143 7.069 1.00 6.23 H new ATOM 0 HB3 LYS A 54 2.932 3.516 8.241 1.00 6.23 H new ATOM 0 HG2 LYS A 54 3.760 5.916 8.600 1.00 7.12 H new ATOM 0 HG3 LYS A 54 2.452 6.464 7.571 1.00 7.12 H new ATOM 0 HD2 LYS A 54 0.813 5.988 9.154 1.00 7.85 H new ATOM 0 HD3 LYS A 54 1.652 4.573 9.758 1.00 7.85 H new ATOM 0 HE2 LYS A 54 3.282 5.993 10.964 1.00 8.63 H new ATOM 0 HE3 LYS A 54 2.593 7.443 10.262 1.00 8.63 H new ATOM 0 HZ1 LYS A 54 1.738 7.058 12.494 1.00 9.56 H new ATOM 0 HZ2 LYS A 54 0.479 6.937 11.361 1.00 9.56 H new ATOM 0 HZ3 LYS A 54 1.147 5.532 12.041 1.00 9.56 H new ATOM 836 N GLU A 55 4.656 2.010 6.206 1.00 4.37 N ATOM 837 CA GLU A 55 5.606 0.893 6.457 1.00 4.14 C ATOM 838 C GLU A 55 6.722 0.939 5.421 1.00 3.84 C ATOM 839 O GLU A 55 6.657 1.659 4.440 1.00 3.83 O ATOM 840 CB GLU A 55 4.884 -0.450 6.319 1.00 4.19 C ATOM 841 CG GLU A 55 4.150 -0.806 7.611 1.00 4.76 C ATOM 842 CD GLU A 55 5.167 -1.091 8.721 1.00 5.39 C ATOM 843 OE1 GLU A 55 5.690 -2.193 8.752 1.00 5.43 O ATOM 844 OE2 GLU A 55 5.404 -0.201 9.523 1.00 6.13 O ATOM 0 H GLU A 55 3.871 1.783 5.595 1.00 4.37 H new ATOM 0 HA GLU A 55 6.011 0.996 7.464 1.00 4.14 H new ATOM 0 HB2 GLU A 55 4.174 -0.403 5.493 1.00 4.19 H new ATOM 0 HB3 GLU A 55 5.604 -1.232 6.077 1.00 4.19 H new ATOM 0 HG2 GLU A 55 3.495 0.014 7.906 1.00 4.76 H new ATOM 0 HG3 GLU A 55 3.517 -1.679 7.452 1.00 4.76 H new ATOM 851 N ASN A 56 7.728 0.140 5.619 1.00 3.90 N ATOM 852 CA ASN A 56 8.852 0.079 4.643 1.00 3.93 C ATOM 853 C ASN A 56 8.622 -1.097 3.689 1.00 3.74 C ATOM 854 O ASN A 56 9.225 -1.175 2.636 1.00 3.89 O ATOM 855 CB ASN A 56 10.167 -0.108 5.384 1.00 4.29 C ATOM 856 CG ASN A 56 11.045 1.131 5.191 1.00 4.70 C ATOM 857 OD1 ASN A 56 11.722 1.259 4.190 1.00 4.90 O ATOM 858 ND2 ASN A 56 11.060 2.059 6.111 1.00 5.15 N ATOM 0 H ASN A 56 7.823 -0.481 6.423 1.00 3.90 H new ATOM 0 HA ASN A 56 8.896 1.008 4.075 1.00 3.93 H new ATOM 0 HB2 ASN A 56 9.978 -0.271 6.445 1.00 4.29 H new ATOM 0 HB3 ASN A 56 10.683 -0.993 5.012 1.00 4.29 H new ATOM 0 HD21 ASN A 56 11.639 2.889 5.988 1.00 5.15 H new ATOM 0 HD22 ASN A 56 10.492 1.953 6.952 1.00 5.15 H new ATOM 865 N TRP A 57 7.748 -2.011 4.051 1.00 3.55 N ATOM 866 CA TRP A 57 7.465 -3.176 3.183 1.00 3.47 C ATOM 867 C TRP A 57 6.580 -2.748 2.014 1.00 3.28 C ATOM 868 O TRP A 57 6.740 -3.223 0.916 1.00 3.48 O ATOM 869 CB TRP A 57 6.792 -4.284 4.007 1.00 3.64 C ATOM 870 CG TRP A 57 5.360 -3.982 4.319 1.00 3.70 C ATOM 871 CD1 TRP A 57 4.923 -3.516 5.498 1.00 4.08 C ATOM 872 CD2 TRP A 57 4.176 -4.142 3.481 1.00 3.51 C ATOM 873 NE1 TRP A 57 3.551 -3.411 5.459 1.00 4.20 N ATOM 874 CE2 TRP A 57 3.041 -3.767 4.236 1.00 3.80 C ATOM 875 CE3 TRP A 57 3.975 -4.573 2.161 1.00 3.27 C ATOM 876 CZ2 TRP A 57 1.754 -3.817 3.704 1.00 3.76 C ATOM 877 CZ3 TRP A 57 2.683 -4.620 1.619 1.00 3.17 C ATOM 878 CH2 TRP A 57 1.573 -4.244 2.388 1.00 3.38 C ATOM 0 H TRP A 57 7.219 -1.989 4.923 1.00 3.55 H new ATOM 0 HA TRP A 57 8.399 -3.567 2.779 1.00 3.47 H new ATOM 0 HB2 TRP A 57 6.850 -5.225 3.459 1.00 3.64 H new ATOM 0 HB3 TRP A 57 7.341 -4.423 4.938 1.00 3.64 H new ATOM 0 HD1 TRP A 57 5.547 -3.264 6.342 1.00 4.08 H new ATOM 0 HE1 TRP A 57 2.980 -3.104 6.247 1.00 4.20 H new ATOM 0 HE3 TRP A 57 4.821 -4.870 1.559 1.00 3.27 H new ATOM 0 HZ2 TRP A 57 0.904 -3.528 4.305 1.00 3.76 H new ATOM 0 HZ3 TRP A 57 2.542 -4.949 0.600 1.00 3.17 H new ATOM 0 HH2 TRP A 57 0.581 -4.285 1.963 1.00 3.38 H new ATOM 889 N VAL A 58 5.653 -1.853 2.241 1.00 3.02 N ATOM 890 CA VAL A 58 4.768 -1.396 1.123 1.00 2.84 C ATOM 891 C VAL A 58 5.611 -0.657 0.074 1.00 2.99 C ATOM 892 O VAL A 58 5.458 -0.874 -1.112 1.00 3.21 O ATOM 893 CB VAL A 58 3.682 -0.462 1.681 1.00 2.78 C ATOM 894 CG1 VAL A 58 3.118 0.440 0.578 1.00 2.80 C ATOM 895 CG2 VAL A 58 2.549 -1.291 2.271 1.00 2.85 C ATOM 0 H VAL A 58 5.470 -1.420 3.146 1.00 3.02 H new ATOM 0 HA VAL A 58 4.291 -2.257 0.654 1.00 2.84 H new ATOM 0 HB VAL A 58 4.132 0.163 2.452 1.00 2.78 H new ATOM 0 HG11 VAL A 58 2.351 1.092 0.997 1.00 2.80 H new ATOM 0 HG12 VAL A 58 3.920 1.047 0.159 1.00 2.80 H new ATOM 0 HG13 VAL A 58 2.680 -0.176 -0.208 1.00 2.80 H new ATOM 0 HG21 VAL A 58 1.780 -0.627 2.666 1.00 2.85 H new ATOM 0 HG22 VAL A 58 2.118 -1.923 1.495 1.00 2.85 H new ATOM 0 HG23 VAL A 58 2.936 -1.917 3.075 1.00 2.85 H new ATOM 905 N GLN A 59 6.504 0.203 0.503 1.00 3.12 N ATOM 906 CA GLN A 59 7.359 0.945 -0.465 1.00 3.61 C ATOM 907 C GLN A 59 8.435 0.013 -1.044 1.00 3.90 C ATOM 908 O GLN A 59 8.905 0.213 -2.148 1.00 4.47 O ATOM 909 CB GLN A 59 8.003 2.139 0.239 1.00 3.82 C ATOM 910 CG GLN A 59 9.080 1.643 1.190 1.00 4.33 C ATOM 911 CD GLN A 59 9.564 2.796 2.073 1.00 4.72 C ATOM 912 OE1 GLN A 59 8.929 3.133 3.052 1.00 4.84 O ATOM 913 NE2 GLN A 59 10.670 3.421 1.767 1.00 5.29 N ATOM 0 H GLN A 59 6.675 0.420 1.485 1.00 3.12 H new ATOM 0 HA GLN A 59 6.744 1.308 -1.289 1.00 3.61 H new ATOM 0 HB2 GLN A 59 8.436 2.818 -0.495 1.00 3.82 H new ATOM 0 HB3 GLN A 59 7.248 2.702 0.788 1.00 3.82 H new ATOM 0 HG2 GLN A 59 8.687 0.838 1.811 1.00 4.33 H new ATOM 0 HG3 GLN A 59 9.916 1.231 0.624 1.00 4.33 H new ATOM 0 HE21 GLN A 59 11.204 3.139 0.945 1.00 5.29 H new ATOM 0 HE22 GLN A 59 10.999 4.191 2.350 1.00 5.29 H new ATOM 922 N ARG A 60 8.809 -1.019 -0.320 1.00 3.65 N ATOM 923 CA ARG A 60 9.831 -1.976 -0.836 1.00 3.97 C ATOM 924 C ARG A 60 9.134 -2.966 -1.762 1.00 3.96 C ATOM 925 O ARG A 60 9.629 -3.297 -2.822 1.00 4.42 O ATOM 926 CB ARG A 60 10.460 -2.734 0.334 1.00 4.07 C ATOM 927 CG ARG A 60 11.824 -3.282 -0.087 1.00 4.60 C ATOM 928 CD ARG A 60 12.168 -4.515 0.752 1.00 4.81 C ATOM 929 NE ARG A 60 11.187 -5.606 0.475 1.00 5.26 N ATOM 930 CZ ARG A 60 11.175 -6.677 1.222 1.00 5.84 C ATOM 931 NH1 ARG A 60 10.656 -6.629 2.423 1.00 6.25 N ATOM 932 NH2 ARG A 60 11.686 -7.795 0.771 1.00 6.35 N ATOM 0 H ARG A 60 8.446 -1.236 0.608 1.00 3.65 H new ATOM 0 HA ARG A 60 10.612 -1.438 -1.374 1.00 3.97 H new ATOM 0 HB2 ARG A 60 10.572 -2.071 1.192 1.00 4.07 H new ATOM 0 HB3 ARG A 60 9.808 -3.551 0.644 1.00 4.07 H new ATOM 0 HG2 ARG A 60 11.811 -3.543 -1.145 1.00 4.60 H new ATOM 0 HG3 ARG A 60 12.590 -2.517 0.043 1.00 4.60 H new ATOM 0 HD2 ARG A 60 13.178 -4.854 0.520 1.00 4.81 H new ATOM 0 HD3 ARG A 60 12.153 -4.261 1.812 1.00 4.81 H new ATOM 0 HE ARG A 60 10.527 -5.515 -0.297 1.00 5.26 H new ATOM 0 HH11 ARG A 60 10.262 -5.756 2.774 1.00 6.25 H new ATOM 0 HH12 ARG A 60 10.646 -7.465 3.008 1.00 6.25 H new ATOM 0 HH21 ARG A 60 12.093 -7.829 -0.164 1.00 6.35 H new ATOM 0 HH22 ARG A 60 11.677 -8.632 1.354 1.00 6.35 H new ATOM 946 N VAL A 61 7.975 -3.424 -1.363 1.00 3.58 N ATOM 947 CA VAL A 61 7.201 -4.382 -2.200 1.00 3.55 C ATOM 948 C VAL A 61 6.796 -3.687 -3.506 1.00 3.25 C ATOM 949 O VAL A 61 6.838 -4.279 -4.569 1.00 3.52 O ATOM 950 CB VAL A 61 5.957 -4.829 -1.413 1.00 3.59 C ATOM 951 CG1 VAL A 61 4.959 -5.524 -2.337 1.00 3.56 C ATOM 952 CG2 VAL A 61 6.380 -5.798 -0.306 1.00 4.31 C ATOM 0 H VAL A 61 7.529 -3.170 -0.482 1.00 3.58 H new ATOM 0 HA VAL A 61 7.802 -5.258 -2.442 1.00 3.55 H new ATOM 0 HB VAL A 61 5.481 -3.950 -0.979 1.00 3.59 H new ATOM 0 HG11 VAL A 61 4.086 -5.833 -1.763 1.00 3.56 H new ATOM 0 HG12 VAL A 61 4.651 -4.835 -3.124 1.00 3.56 H new ATOM 0 HG13 VAL A 61 5.427 -6.400 -2.785 1.00 3.56 H new ATOM 0 HG21 VAL A 61 5.501 -6.117 0.254 1.00 4.31 H new ATOM 0 HG22 VAL A 61 6.863 -6.669 -0.750 1.00 4.31 H new ATOM 0 HG23 VAL A 61 7.078 -5.299 0.367 1.00 4.31 H new ATOM 962 N VAL A 62 6.423 -2.430 -3.433 1.00 2.99 N ATOM 963 CA VAL A 62 6.035 -1.681 -4.668 1.00 3.22 C ATOM 964 C VAL A 62 7.290 -1.446 -5.526 1.00 3.80 C ATOM 965 O VAL A 62 7.242 -1.534 -6.738 1.00 4.15 O ATOM 966 CB VAL A 62 5.403 -0.336 -4.274 1.00 3.53 C ATOM 967 CG1 VAL A 62 5.268 0.567 -5.505 1.00 4.40 C ATOM 968 CG2 VAL A 62 4.012 -0.580 -3.675 1.00 3.34 C ATOM 0 H VAL A 62 6.371 -1.891 -2.568 1.00 2.99 H new ATOM 0 HA VAL A 62 5.309 -2.257 -5.241 1.00 3.22 H new ATOM 0 HB VAL A 62 6.044 0.152 -3.540 1.00 3.53 H new ATOM 0 HG11 VAL A 62 4.819 1.516 -5.212 1.00 4.40 H new ATOM 0 HG12 VAL A 62 6.254 0.748 -5.933 1.00 4.40 H new ATOM 0 HG13 VAL A 62 4.635 0.079 -6.246 1.00 4.40 H new ATOM 0 HG21 VAL A 62 3.564 0.373 -3.396 1.00 3.34 H new ATOM 0 HG22 VAL A 62 3.380 -1.076 -4.412 1.00 3.34 H new ATOM 0 HG23 VAL A 62 4.102 -1.211 -2.791 1.00 3.34 H new ATOM 978 N GLU A 63 8.413 -1.157 -4.903 1.00 4.04 N ATOM 979 CA GLU A 63 9.668 -0.928 -5.670 1.00 4.68 C ATOM 980 C GLU A 63 10.111 -2.239 -6.333 1.00 4.70 C ATOM 981 O GLU A 63 10.479 -2.256 -7.490 1.00 5.23 O ATOM 982 CB GLU A 63 10.768 -0.430 -4.726 1.00 5.11 C ATOM 983 CG GLU A 63 10.676 1.091 -4.577 1.00 5.73 C ATOM 984 CD GLU A 63 11.706 1.571 -3.550 1.00 6.00 C ATOM 985 OE1 GLU A 63 12.829 1.841 -3.946 1.00 6.04 O ATOM 986 OE2 GLU A 63 11.355 1.661 -2.384 1.00 6.46 O ATOM 0 H GLU A 63 8.506 -1.071 -3.891 1.00 4.04 H new ATOM 0 HA GLU A 63 9.488 -0.177 -6.439 1.00 4.68 H new ATOM 0 HB2 GLU A 63 10.666 -0.907 -3.751 1.00 5.11 H new ATOM 0 HB3 GLU A 63 11.747 -0.708 -5.116 1.00 5.11 H new ATOM 0 HG2 GLU A 63 10.855 1.572 -5.539 1.00 5.73 H new ATOM 0 HG3 GLU A 63 9.672 1.375 -4.260 1.00 5.73 H new ATOM 993 N LYS A 64 10.070 -3.338 -5.610 1.00 4.35 N ATOM 994 CA LYS A 64 10.477 -4.647 -6.200 1.00 4.71 C ATOM 995 C LYS A 64 9.506 -5.026 -7.330 1.00 4.54 C ATOM 996 O LYS A 64 9.898 -5.612 -8.323 1.00 5.00 O ATOM 997 CB LYS A 64 10.451 -5.730 -5.111 1.00 4.74 C ATOM 998 CG LYS A 64 11.618 -6.702 -5.318 1.00 5.62 C ATOM 999 CD LYS A 64 11.127 -7.947 -6.066 1.00 6.24 C ATOM 1000 CE LYS A 64 12.273 -8.534 -6.897 1.00 7.07 C ATOM 1001 NZ LYS A 64 12.356 -7.828 -8.208 1.00 7.79 N ATOM 0 H LYS A 64 9.771 -3.379 -4.636 1.00 4.35 H new ATOM 0 HA LYS A 64 11.486 -4.565 -6.604 1.00 4.71 H new ATOM 0 HB2 LYS A 64 10.520 -5.269 -4.125 1.00 4.74 H new ATOM 0 HB3 LYS A 64 9.505 -6.270 -5.145 1.00 4.74 H new ATOM 0 HG2 LYS A 64 12.413 -6.216 -5.884 1.00 5.62 H new ATOM 0 HG3 LYS A 64 12.041 -6.988 -4.355 1.00 5.62 H new ATOM 0 HD2 LYS A 64 10.762 -8.689 -5.356 1.00 6.24 H new ATOM 0 HD3 LYS A 64 10.290 -7.687 -6.714 1.00 6.24 H new ATOM 0 HE2 LYS A 64 13.215 -8.432 -6.358 1.00 7.07 H new ATOM 0 HE3 LYS A 64 12.110 -9.600 -7.057 1.00 7.07 H new ATOM 0 HZ1 LYS A 64 12.237 -8.514 -8.980 1.00 7.79 H new ATOM 0 HZ2 LYS A 64 11.606 -7.110 -8.264 1.00 7.79 H new ATOM 0 HZ3 LYS A 64 13.284 -7.366 -8.296 1.00 7.79 H new ATOM 1015 N PHE A 65 8.244 -4.688 -7.182 1.00 4.02 N ATOM 1016 CA PHE A 65 7.230 -5.010 -8.229 1.00 3.99 C ATOM 1017 C PHE A 65 7.464 -4.137 -9.470 1.00 4.72 C ATOM 1018 O PHE A 65 7.471 -4.622 -10.586 1.00 5.31 O ATOM 1019 CB PHE A 65 5.836 -4.718 -7.663 1.00 3.16 C ATOM 1020 CG PHE A 65 4.787 -5.497 -8.423 1.00 3.02 C ATOM 1021 CD1 PHE A 65 4.724 -6.890 -8.304 1.00 3.45 C ATOM 1022 CD2 PHE A 65 3.869 -4.823 -9.238 1.00 2.97 C ATOM 1023 CE1 PHE A 65 3.747 -7.609 -9.000 1.00 3.48 C ATOM 1024 CE2 PHE A 65 2.890 -5.542 -9.932 1.00 3.10 C ATOM 1025 CZ PHE A 65 2.828 -6.936 -9.814 1.00 3.19 C ATOM 0 H PHE A 65 7.874 -4.197 -6.368 1.00 4.02 H new ATOM 0 HA PHE A 65 7.314 -6.059 -8.511 1.00 3.99 H new ATOM 0 HB2 PHE A 65 5.802 -4.984 -6.607 1.00 3.16 H new ATOM 0 HB3 PHE A 65 5.625 -3.651 -7.730 1.00 3.16 H new ATOM 0 HD1 PHE A 65 5.430 -7.410 -7.674 1.00 3.45 H new ATOM 0 HD2 PHE A 65 3.917 -3.748 -9.331 1.00 2.97 H new ATOM 0 HE1 PHE A 65 3.701 -8.684 -8.909 1.00 3.48 H new ATOM 0 HE2 PHE A 65 2.181 -5.022 -10.559 1.00 3.10 H new ATOM 0 HZ PHE A 65 2.072 -7.491 -10.350 1.00 3.19 H new ATOM 1035 N LEU A 66 7.643 -2.851 -9.277 1.00 4.92 N ATOM 1036 CA LEU A 66 7.863 -1.928 -10.435 1.00 5.86 C ATOM 1037 C LEU A 66 9.257 -2.154 -11.045 1.00 6.61 C ATOM 1038 O LEU A 66 9.399 -2.243 -12.251 1.00 7.33 O ATOM 1039 CB LEU A 66 7.741 -0.478 -9.952 1.00 6.18 C ATOM 1040 CG LEU A 66 7.646 0.467 -11.157 1.00 7.14 C ATOM 1041 CD1 LEU A 66 6.179 0.644 -11.558 1.00 7.61 C ATOM 1042 CD2 LEU A 66 8.238 1.827 -10.781 1.00 7.67 C ATOM 0 H LEU A 66 7.646 -2.400 -8.362 1.00 4.92 H new ATOM 0 HA LEU A 66 7.112 -2.129 -11.199 1.00 5.86 H new ATOM 0 HB2 LEU A 66 6.858 -0.368 -9.322 1.00 6.18 H new ATOM 0 HB3 LEU A 66 8.604 -0.215 -9.340 1.00 6.18 H new ATOM 0 HG LEU A 66 8.201 0.044 -11.995 1.00 7.14 H new ATOM 0 HD11 LEU A 66 6.114 1.316 -12.414 1.00 7.61 H new ATOM 0 HD12 LEU A 66 5.755 -0.324 -11.824 1.00 7.61 H new ATOM 0 HD13 LEU A 66 5.622 1.067 -10.722 1.00 7.61 H new ATOM 0 HD21 LEU A 66 8.172 2.501 -11.635 1.00 7.67 H new ATOM 0 HD22 LEU A 66 7.681 2.247 -9.943 1.00 7.67 H new ATOM 0 HD23 LEU A 66 9.283 1.703 -10.496 1.00 7.67 H new ATOM 1054 N LYS A 67 10.281 -2.236 -10.227 1.00 6.57 N ATOM 1055 CA LYS A 67 11.665 -2.446 -10.760 1.00 7.47 C ATOM 1056 C LYS A 67 11.748 -3.792 -11.492 1.00 7.85 C ATOM 1057 O LYS A 67 11.474 -4.836 -10.926 1.00 8.14 O ATOM 1058 CB LYS A 67 12.672 -2.430 -9.604 1.00 7.84 C ATOM 1059 CG LYS A 67 14.073 -2.116 -10.141 1.00 8.78 C ATOM 1060 CD LYS A 67 14.217 -0.605 -10.360 1.00 9.42 C ATOM 1061 CE LYS A 67 15.201 -0.345 -11.504 1.00 10.12 C ATOM 1062 NZ LYS A 67 14.810 0.900 -12.228 1.00 10.40 N ATOM 0 H LYS A 67 10.217 -2.166 -9.211 1.00 6.57 H new ATOM 0 HA LYS A 67 11.900 -1.643 -11.459 1.00 7.47 H new ATOM 0 HB2 LYS A 67 12.380 -1.684 -8.865 1.00 7.84 H new ATOM 0 HB3 LYS A 67 12.674 -3.395 -9.098 1.00 7.84 H new ATOM 0 HG2 LYS A 67 14.829 -2.465 -9.437 1.00 8.78 H new ATOM 0 HG3 LYS A 67 14.241 -2.647 -11.078 1.00 8.78 H new ATOM 0 HD2 LYS A 67 13.247 -0.167 -10.594 1.00 9.42 H new ATOM 0 HD3 LYS A 67 14.571 -0.127 -9.447 1.00 9.42 H new ATOM 0 HE2 LYS A 67 16.213 -0.247 -11.111 1.00 10.12 H new ATOM 0 HE3 LYS A 67 15.207 -1.191 -12.191 1.00 10.12 H new ATOM 0 HZ1 LYS A 67 15.479 1.075 -13.004 1.00 10.40 H new ATOM 0 HZ2 LYS A 67 13.851 0.790 -12.616 1.00 10.40 H new ATOM 0 HZ3 LYS A 67 14.826 1.704 -11.569 1.00 10.40 H new ATOM 1076 N ARG A 68 12.128 -3.767 -12.748 1.00 8.12 N ATOM 1077 CA ARG A 68 12.240 -5.034 -13.537 1.00 8.78 C ATOM 1078 C ARG A 68 13.335 -4.882 -14.602 1.00 8.99 C ATOM 1079 O ARG A 68 13.973 -3.850 -14.710 1.00 8.81 O ATOM 1080 CB ARG A 68 10.903 -5.327 -14.228 1.00 9.33 C ATOM 1081 CG ARG A 68 9.981 -6.089 -13.274 1.00 9.61 C ATOM 1082 CD ARG A 68 8.782 -6.640 -14.051 1.00 10.05 C ATOM 1083 NE ARG A 68 9.151 -7.936 -14.694 1.00 10.53 N ATOM 1084 CZ ARG A 68 9.442 -7.975 -15.969 1.00 10.90 C ATOM 1085 NH1 ARG A 68 8.490 -7.863 -16.861 1.00 11.02 N ATOM 1086 NH2 ARG A 68 10.684 -8.131 -16.352 1.00 11.35 N ATOM 0 H ARG A 68 12.366 -2.919 -13.262 1.00 8.12 H new ATOM 0 HA ARG A 68 12.494 -5.854 -12.866 1.00 8.78 H new ATOM 0 HB2 ARG A 68 10.431 -4.394 -14.537 1.00 9.33 H new ATOM 0 HB3 ARG A 68 11.071 -5.913 -15.131 1.00 9.33 H new ATOM 0 HG2 ARG A 68 10.526 -6.905 -12.799 1.00 9.61 H new ATOM 0 HG3 ARG A 68 9.639 -5.428 -12.477 1.00 9.61 H new ATOM 0 HD2 ARG A 68 7.936 -6.784 -13.379 1.00 10.05 H new ATOM 0 HD3 ARG A 68 8.468 -5.923 -14.810 1.00 10.05 H new ATOM 0 HE ARG A 68 9.176 -8.791 -14.139 1.00 10.53 H new ATOM 0 HH11 ARG A 68 7.522 -7.745 -16.562 1.00 11.02 H new ATOM 0 HH12 ARG A 68 8.716 -7.893 -17.855 1.00 11.02 H new ATOM 0 HH21 ARG A 68 11.425 -8.222 -15.657 1.00 11.35 H new ATOM 0 HH22 ARG A 68 10.911 -8.161 -17.346 1.00 11.35 H new ATOM 1100 N ALA A 69 13.548 -5.905 -15.394 1.00 9.61 N ATOM 1101 CA ALA A 69 14.592 -5.833 -16.461 1.00 10.14 C ATOM 1102 C ALA A 69 13.964 -5.279 -17.744 1.00 10.89 C ATOM 1103 O ALA A 69 12.969 -5.787 -18.226 1.00 11.20 O ATOM 1104 CB ALA A 69 15.153 -7.233 -16.727 1.00 10.08 C ATOM 0 H ALA A 69 13.041 -6.789 -15.346 1.00 9.61 H new ATOM 0 HA ALA A 69 15.401 -5.178 -16.137 1.00 10.14 H new ATOM 0 HB1 ALA A 69 15.914 -7.178 -17.505 1.00 10.08 H new ATOM 0 HB2 ALA A 69 15.597 -7.627 -15.813 1.00 10.08 H new ATOM 0 HB3 ALA A 69 14.348 -7.892 -17.053 1.00 10.08 H new ATOM 1110 N GLU A 70 14.535 -4.234 -18.296 1.00 11.37 N ATOM 1111 CA GLU A 70 13.967 -3.635 -19.544 1.00 12.24 C ATOM 1112 C GLU A 70 14.987 -2.677 -20.176 1.00 12.45 C ATOM 1113 O GLU A 70 15.919 -2.238 -19.527 1.00 12.32 O ATOM 1114 CB GLU A 70 12.686 -2.863 -19.203 1.00 12.79 C ATOM 1115 CG GLU A 70 12.969 -1.850 -18.086 1.00 12.48 C ATOM 1116 CD GLU A 70 11.875 -0.780 -18.076 1.00 13.18 C ATOM 1117 OE1 GLU A 70 11.918 0.091 -18.930 1.00 13.63 O ATOM 1118 OE2 GLU A 70 11.015 -0.849 -17.214 1.00 13.39 O ATOM 0 H GLU A 70 15.369 -3.771 -17.936 1.00 11.37 H new ATOM 0 HA GLU A 70 13.738 -4.432 -20.251 1.00 12.24 H new ATOM 0 HB2 GLU A 70 12.315 -2.347 -20.089 1.00 12.79 H new ATOM 0 HB3 GLU A 70 11.906 -3.556 -18.888 1.00 12.79 H new ATOM 0 HG2 GLU A 70 13.005 -2.357 -17.122 1.00 12.48 H new ATOM 0 HG3 GLU A 70 13.944 -1.387 -18.239 1.00 12.48 H new ATOM 1125 N ASN A 71 14.804 -2.351 -21.440 1.00 12.96 N ATOM 1126 CA ASN A 71 15.741 -1.417 -22.151 1.00 13.39 C ATOM 1127 C ASN A 71 17.099 -2.103 -22.381 1.00 13.77 C ATOM 1128 O ASN A 71 17.585 -2.838 -21.542 1.00 13.98 O ATOM 1129 CB ASN A 71 15.939 -0.140 -21.320 1.00 13.14 C ATOM 1130 CG ASN A 71 16.339 1.018 -22.240 1.00 12.70 C ATOM 1131 OD1 ASN A 71 15.494 1.753 -22.711 1.00 12.77 O ATOM 1132 ND2 ASN A 71 17.601 1.213 -22.517 1.00 12.41 N ATOM 0 H ASN A 71 14.035 -2.698 -22.014 1.00 12.96 H new ATOM 0 HA ASN A 71 15.308 -1.153 -23.116 1.00 13.39 H new ATOM 0 HB2 ASN A 71 15.020 0.106 -20.789 1.00 13.14 H new ATOM 0 HB3 ASN A 71 16.710 -0.301 -20.566 1.00 13.14 H new ATOM 0 HD21 ASN A 71 17.876 1.982 -23.128 1.00 12.41 H new ATOM 0 HD22 ASN A 71 18.311 0.596 -22.122 1.00 12.41 H new ATOM 1139 N SER A 72 17.713 -1.862 -23.515 1.00 14.02 N ATOM 1140 CA SER A 72 19.039 -2.492 -23.808 1.00 14.59 C ATOM 1141 C SER A 72 20.057 -1.405 -24.183 1.00 15.09 C ATOM 1142 O SER A 72 21.144 -1.428 -23.631 1.00 15.38 O ATOM 1143 CB SER A 72 18.891 -3.478 -24.969 1.00 14.66 C ATOM 1144 OG SER A 72 20.008 -4.359 -24.983 1.00 14.60 O ATOM 1145 OXT SER A 72 19.732 -0.570 -25.014 1.00 15.30 O ATOM 0 H SER A 72 17.352 -1.255 -24.251 1.00 14.02 H new ATOM 0 HA SER A 72 19.389 -3.023 -22.923 1.00 14.59 H new ATOM 0 HB2 SER A 72 17.967 -4.046 -24.863 1.00 14.66 H new ATOM 0 HB3 SER A 72 18.827 -2.938 -25.914 1.00 14.66 H new ATOM 0 HG SER A 72 19.915 -4.993 -25.725 1.00 14.60 H new TER 1151 SER A 72