USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 918 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 65 MET CE :methyl 141:sc= -1.04 (180deg=-4.02!) USER MOD Set 1.2: A 97 LYS NZ :NH3+ -143:sc= -0.371 (180deg=-0.0889) USER MOD Set 2.1: A 30 GLN : amide:sc= -5.16! C(o=-5.2!,f=-5.3!) USER MOD Set 2.2: A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 9 LYS NZ :NH3+ -122:sc= -1.49 (180deg=-5.24!) USER MOD Set 3.2: A 93 TYR OH : rot 30:sc= -0.583! USER MOD Single : A 1 ALA N :NH3+ -167:sc= -0.0228 (180deg=-0.161) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -149:sc= -0.155 (180deg=-0.726) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 138:sc= -0.983 (180deg=-3.61!) USER MOD Single : A 26 MET CE :methyl 163:sc= -0.018 (180deg=-0.564) USER MOD Single : A 27 TYR OH : rot 40:sc= -1.12 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -69:sc= -1.06 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0343 USER MOD Single : A 45 LYS NZ :NH3+ -110:sc= -0.379 (180deg=-1.24) USER MOD Single : A 46 HIS : no HD1:sc= -0.292 K(o=-0.29,f=-1.5) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot -126:sc= -1.34 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 110:sc= 1.11 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -109:sc= 0.0809 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -3.27! C(o=-3.3!,f=-6.9!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.76 X(o=-0.76,f=-0.76) USER MOD Single : A 82 THR OG1 : rot 171:sc= 2.17 USER MOD Single : A 84 LYS NZ :NH3+ -153:sc= -0.0112 (180deg=-0.397) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl -148:sc= -0.0446 (180deg=-0.162) USER MOD Single : A 100 ASN : amide:sc= -2.94 K(o=-2.9,f=-2.2!) USER MOD Single : A 106 GLN : amide:sc= -10.9! C(o=-11!,f=-14!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.148 -13.171 -21.588 1.00 0.00 N ATOM 2 CA ALA A 1 0.196 -13.969 -20.772 1.00 0.00 C ATOM 3 C ALA A 1 -0.491 -13.097 -19.726 1.00 0.00 C ATOM 4 O ALA A 1 -1.652 -13.320 -19.384 1.00 0.00 O ATOM 5 CB ALA A 1 0.919 -15.126 -20.101 1.00 0.00 C ATOM 0 H1 ALA A 1 1.435 -13.721 -22.423 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.688 -12.290 -21.895 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.987 -12.943 -21.018 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.570 -14.369 -21.437 1.00 0.00 H new ATOM 0 HB1 ALA A 1 0.210 -15.702 -19.506 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.361 -15.769 -20.862 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.704 -14.737 -19.453 1.00 0.00 H new ATOM 13 N THR A 2 0.234 -12.104 -19.221 1.00 0.00 N ATOM 14 CA THR A 2 -0.306 -11.199 -18.213 1.00 0.00 C ATOM 15 C THR A 2 -0.571 -9.819 -18.806 1.00 0.00 C ATOM 16 O THR A 2 0.240 -9.294 -19.568 1.00 0.00 O ATOM 17 CB THR A 2 0.659 -11.083 -17.032 1.00 0.00 C ATOM 18 OG1 THR A 2 1.887 -10.509 -17.444 1.00 0.00 O ATOM 19 CG2 THR A 2 0.969 -12.412 -16.380 1.00 0.00 C ATOM 0 H THR A 2 1.197 -11.906 -19.493 1.00 0.00 H new ATOM 0 HA THR A 2 -1.252 -11.611 -17.861 1.00 0.00 H new ATOM 0 HB THR A 2 0.151 -10.450 -16.304 1.00 0.00 H new ATOM 0 HG1 THR A 2 2.491 -10.441 -16.675 1.00 0.00 H new ATOM 0 HG21 THR A 2 1.659 -12.258 -15.550 1.00 0.00 H new ATOM 0 HG22 THR A 2 0.047 -12.858 -16.008 1.00 0.00 H new ATOM 0 HG23 THR A 2 1.425 -13.079 -17.112 1.00 0.00 H new ATOM 27 N SER A 3 -1.711 -9.236 -18.451 1.00 0.00 N ATOM 28 CA SER A 3 -2.082 -7.916 -18.948 1.00 0.00 C ATOM 29 C SER A 3 -1.567 -6.821 -18.021 1.00 0.00 C ATOM 30 O SER A 3 -1.853 -6.822 -16.824 1.00 0.00 O ATOM 31 CB SER A 3 -3.602 -7.810 -19.088 1.00 0.00 C ATOM 32 OG SER A 3 -4.061 -8.515 -20.230 1.00 0.00 O ATOM 0 H SER A 3 -2.394 -9.657 -17.821 1.00 0.00 H new ATOM 0 HA SER A 3 -1.624 -7.782 -19.928 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.081 -8.209 -18.194 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.891 -6.762 -19.164 1.00 0.00 H new ATOM 0 HG SER A 3 -5.035 -8.433 -20.295 1.00 0.00 H new ATOM 38 N THR A 4 -0.808 -5.886 -18.582 1.00 0.00 N ATOM 39 CA THR A 4 -0.255 -4.783 -17.806 1.00 0.00 C ATOM 40 C THR A 4 -1.290 -3.680 -17.612 1.00 0.00 C ATOM 41 O THR A 4 -2.024 -3.335 -18.538 1.00 0.00 O ATOM 42 CB THR A 4 0.986 -4.217 -18.497 1.00 0.00 C ATOM 43 OG1 THR A 4 1.844 -5.260 -18.923 1.00 0.00 O ATOM 44 CG2 THR A 4 1.794 -3.291 -17.613 1.00 0.00 C ATOM 0 H THR A 4 -0.562 -5.870 -19.572 1.00 0.00 H new ATOM 0 HA THR A 4 0.027 -5.168 -16.826 1.00 0.00 H new ATOM 0 HB THR A 4 0.608 -3.646 -19.345 1.00 0.00 H new ATOM 0 HG1 THR A 4 2.631 -4.877 -19.364 1.00 0.00 H new ATOM 0 HG21 THR A 4 2.660 -2.925 -18.165 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.175 -2.447 -17.308 1.00 0.00 H new ATOM 0 HG23 THR A 4 2.130 -3.833 -16.729 1.00 0.00 H new ATOM 52 N LYS A 5 -1.344 -3.132 -16.403 1.00 0.00 N ATOM 53 CA LYS A 5 -2.290 -2.068 -16.087 1.00 0.00 C ATOM 54 C LYS A 5 -1.693 -0.698 -16.394 1.00 0.00 C ATOM 55 O LYS A 5 -0.665 -0.317 -15.833 1.00 0.00 O ATOM 56 CB LYS A 5 -2.697 -2.143 -14.613 1.00 0.00 C ATOM 57 CG LYS A 5 -4.197 -2.021 -14.390 1.00 0.00 C ATOM 58 CD LYS A 5 -4.513 -1.202 -13.148 1.00 0.00 C ATOM 59 CE LYS A 5 -4.926 -2.089 -11.984 1.00 0.00 C ATOM 60 NZ LYS A 5 -6.152 -2.876 -12.291 1.00 0.00 N ATOM 0 H LYS A 5 -0.744 -3.407 -15.626 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.174 -2.204 -16.709 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.352 -3.089 -14.197 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -2.190 -1.349 -14.064 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.658 -1.555 -15.261 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.633 -3.015 -14.292 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.639 -0.615 -12.867 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.313 -0.496 -13.370 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.110 -2.769 -11.739 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.102 -1.472 -11.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.691 -3.035 -11.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -6.741 -2.351 -12.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.882 -3.792 -12.703 1.00 0.00 H new ATOM 74 N LYS A 6 -2.347 0.040 -17.286 1.00 0.00 N ATOM 75 CA LYS A 6 -1.883 1.369 -17.664 1.00 0.00 C ATOM 76 C LYS A 6 -2.127 2.367 -16.535 1.00 0.00 C ATOM 77 O LYS A 6 -3.272 2.689 -16.214 1.00 0.00 O ATOM 78 CB LYS A 6 -2.587 1.834 -18.942 1.00 0.00 C ATOM 79 CG LYS A 6 -1.696 1.801 -20.173 1.00 0.00 C ATOM 80 CD LYS A 6 -1.699 3.133 -20.905 1.00 0.00 C ATOM 81 CE LYS A 6 -0.445 3.311 -21.745 1.00 0.00 C ATOM 82 NZ LYS A 6 0.006 4.729 -21.779 1.00 0.00 N ATOM 0 H LYS A 6 -3.199 -0.260 -17.760 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.811 1.317 -17.852 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -3.458 1.203 -19.117 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.954 2.850 -18.796 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.677 1.550 -19.878 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -2.036 1.015 -20.847 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.579 3.195 -21.545 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.773 3.946 -20.183 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.353 2.686 -21.343 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.637 2.967 -22.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.864 4.807 -22.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.745 5.322 -22.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.215 5.050 -20.812 1.00 0.00 H new ATOM 96 N LEU A 7 -1.045 2.848 -15.933 1.00 0.00 N ATOM 97 CA LEU A 7 -1.140 3.805 -14.835 1.00 0.00 C ATOM 98 C LEU A 7 -0.432 5.110 -15.182 1.00 0.00 C ATOM 99 O LEU A 7 0.455 5.139 -16.037 1.00 0.00 O ATOM 100 CB LEU A 7 -0.536 3.211 -13.561 1.00 0.00 C ATOM 101 CG LEU A 7 0.897 2.690 -13.705 1.00 0.00 C ATOM 102 CD1 LEU A 7 1.881 3.639 -13.038 1.00 0.00 C ATOM 103 CD2 LEU A 7 1.020 1.292 -13.117 1.00 0.00 C ATOM 0 H LEU A 7 -0.091 2.591 -16.186 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.195 4.020 -14.667 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.553 3.971 -12.780 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.172 2.393 -13.223 1.00 0.00 H new ATOM 0 HG LEU A 7 1.137 2.638 -14.767 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.894 3.252 -13.151 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.814 4.621 -13.506 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.642 3.725 -11.978 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.045 0.939 -13.229 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.759 1.318 -12.059 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.344 0.616 -13.641 1.00 0.00 H new ATOM 115 N HIS A 8 -0.828 6.188 -14.512 1.00 0.00 N ATOM 116 CA HIS A 8 -0.229 7.497 -14.747 1.00 0.00 C ATOM 117 C HIS A 8 0.610 7.949 -13.550 1.00 0.00 C ATOM 118 O HIS A 8 1.103 9.077 -13.521 1.00 0.00 O ATOM 119 CB HIS A 8 -1.318 8.531 -15.039 1.00 0.00 C ATOM 120 CG HIS A 8 -1.665 8.640 -16.492 1.00 0.00 C ATOM 121 ND1 HIS A 8 -1.759 9.846 -17.155 1.00 0.00 N ATOM 122 CD2 HIS A 8 -1.942 7.685 -17.412 1.00 0.00 C ATOM 123 CE1 HIS A 8 -2.078 9.628 -18.419 1.00 0.00 C ATOM 124 NE2 HIS A 8 -2.194 8.325 -18.601 1.00 0.00 N ATOM 0 H HIS A 8 -1.561 6.181 -13.802 1.00 0.00 H new ATOM 0 HA HIS A 8 0.430 7.412 -15.611 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -2.215 8.270 -14.478 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -0.989 9.505 -14.678 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -1.961 6.619 -17.242 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -2.220 10.387 -19.175 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -2.432 7.868 -19.481 1.00 0.00 H new ATOM 133 N LYS A 9 0.774 7.064 -12.567 1.00 0.00 N ATOM 134 CA LYS A 9 1.557 7.379 -11.375 1.00 0.00 C ATOM 135 C LYS A 9 0.935 8.535 -10.596 1.00 0.00 C ATOM 136 O LYS A 9 0.353 9.448 -11.181 1.00 0.00 O ATOM 137 CB LYS A 9 2.997 7.723 -11.764 1.00 0.00 C ATOM 138 CG LYS A 9 3.977 7.642 -10.605 1.00 0.00 C ATOM 139 CD LYS A 9 4.445 6.215 -10.367 1.00 0.00 C ATOM 140 CE LYS A 9 3.407 5.411 -9.600 1.00 0.00 C ATOM 141 NZ LYS A 9 4.025 4.551 -8.552 1.00 0.00 N ATOM 0 H LYS A 9 0.375 6.125 -12.573 1.00 0.00 H new ATOM 0 HA LYS A 9 1.560 6.499 -10.732 1.00 0.00 H new ATOM 0 HB2 LYS A 9 3.323 7.045 -12.553 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.021 8.730 -12.180 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.838 8.278 -10.810 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.505 8.026 -9.701 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.647 5.733 -11.323 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.382 6.226 -9.811 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.693 6.091 -9.135 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.846 4.787 -10.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.771 3.557 -8.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.059 4.654 -8.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.677 4.840 -7.616 1.00 0.00 H new ATOM 155 N GLU A 10 1.060 8.488 -9.272 1.00 0.00 N ATOM 156 CA GLU A 10 0.510 9.532 -8.415 1.00 0.00 C ATOM 157 C GLU A 10 1.260 9.611 -7.085 1.00 0.00 C ATOM 158 O GLU A 10 1.207 8.685 -6.279 1.00 0.00 O ATOM 159 CB GLU A 10 -0.976 9.277 -8.154 1.00 0.00 C ATOM 160 CG GLU A 10 -1.893 9.901 -9.196 1.00 0.00 C ATOM 161 CD GLU A 10 -1.655 11.389 -9.365 1.00 0.00 C ATOM 162 OE1 GLU A 10 -2.042 12.160 -8.462 1.00 0.00 O ATOM 163 OE2 GLU A 10 -1.079 11.783 -10.401 1.00 0.00 O ATOM 0 H GLU A 10 1.537 7.739 -8.771 1.00 0.00 H new ATOM 0 HA GLU A 10 0.628 10.483 -8.934 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.152 8.202 -8.125 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.236 9.670 -7.171 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.742 9.402 -10.153 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.931 9.733 -8.909 1.00 0.00 H new ATOM 170 N PRO A 11 1.970 10.726 -6.833 1.00 0.00 N ATOM 171 CA PRO A 11 2.721 10.920 -5.598 1.00 0.00 C ATOM 172 C PRO A 11 1.867 11.550 -4.503 1.00 0.00 C ATOM 173 O PRO A 11 1.581 12.747 -4.539 1.00 0.00 O ATOM 174 CB PRO A 11 3.823 11.878 -6.035 1.00 0.00 C ATOM 175 CG PRO A 11 3.191 12.722 -7.095 1.00 0.00 C ATOM 176 CD PRO A 11 2.095 11.892 -7.727 1.00 0.00 C ATOM 0 HA PRO A 11 3.083 9.985 -5.171 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.173 12.486 -5.201 1.00 0.00 H new ATOM 0 HB3 PRO A 11 4.687 11.338 -6.421 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.783 13.637 -6.667 1.00 0.00 H new ATOM 0 HG3 PRO A 11 3.928 13.020 -7.841 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.160 12.448 -7.791 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.357 11.591 -8.741 1.00 0.00 H new ATOM 184 N ALA A 12 1.458 10.740 -3.534 1.00 0.00 N ATOM 185 CA ALA A 12 0.634 11.222 -2.432 1.00 0.00 C ATOM 186 C ALA A 12 1.374 11.107 -1.106 1.00 0.00 C ATOM 187 O ALA A 12 2.282 10.289 -0.961 1.00 0.00 O ATOM 188 CB ALA A 12 -0.675 10.449 -2.378 1.00 0.00 C ATOM 0 H ALA A 12 1.683 9.746 -3.489 1.00 0.00 H new ATOM 0 HA ALA A 12 0.414 12.275 -2.605 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.282 10.818 -1.551 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.217 10.585 -3.314 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.466 9.389 -2.230 1.00 0.00 H new ATOM 194 N THR A 13 0.984 11.931 -0.139 1.00 0.00 N ATOM 195 CA THR A 13 1.622 11.914 1.171 1.00 0.00 C ATOM 196 C THR A 13 0.936 10.920 2.105 1.00 0.00 C ATOM 197 O THR A 13 -0.177 11.151 2.572 1.00 0.00 O ATOM 198 CB THR A 13 1.608 13.314 1.787 1.00 0.00 C ATOM 199 OG1 THR A 13 2.283 14.237 0.950 1.00 0.00 O ATOM 200 CG2 THR A 13 2.257 13.376 3.154 1.00 0.00 C ATOM 0 H THR A 13 0.234 12.615 -0.237 1.00 0.00 H new ATOM 0 HA THR A 13 2.656 11.596 1.038 1.00 0.00 H new ATOM 0 HB THR A 13 0.554 13.571 1.892 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.262 15.127 1.360 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.212 14.397 3.532 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.728 12.712 3.838 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.298 13.063 3.077 1.00 0.00 H new ATOM 208 N LEU A 14 1.624 9.819 2.374 1.00 0.00 N ATOM 209 CA LEU A 14 1.118 8.775 3.254 1.00 0.00 C ATOM 210 C LEU A 14 1.313 9.180 4.710 1.00 0.00 C ATOM 211 O LEU A 14 2.441 9.254 5.196 1.00 0.00 O ATOM 212 CB LEU A 14 1.866 7.470 2.962 1.00 0.00 C ATOM 213 CG LEU A 14 1.337 6.184 3.626 1.00 0.00 C ATOM 214 CD1 LEU A 14 0.667 6.464 4.964 1.00 0.00 C ATOM 215 CD2 LEU A 14 0.382 5.457 2.693 1.00 0.00 C ATOM 0 H LEU A 14 2.548 9.625 1.989 1.00 0.00 H new ATOM 0 HA LEU A 14 0.052 8.630 3.076 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.866 7.316 1.883 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.905 7.602 3.265 1.00 0.00 H new ATOM 0 HG LEU A 14 2.197 5.543 3.823 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.310 5.529 5.395 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.386 6.924 5.642 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.175 7.140 4.815 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.018 4.551 3.178 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.461 6.106 2.457 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.903 5.192 1.773 1.00 0.00 H new ATOM 227 N ILE A 15 0.212 9.443 5.404 1.00 0.00 N ATOM 228 CA ILE A 15 0.285 9.840 6.802 1.00 0.00 C ATOM 229 C ILE A 15 0.601 8.647 7.700 1.00 0.00 C ATOM 230 O ILE A 15 1.464 8.735 8.574 1.00 0.00 O ATOM 231 CB ILE A 15 -1.015 10.515 7.283 1.00 0.00 C ATOM 232 CG1 ILE A 15 -2.211 9.581 7.107 1.00 0.00 C ATOM 233 CG2 ILE A 15 -1.242 11.818 6.532 1.00 0.00 C ATOM 234 CD1 ILE A 15 -2.466 8.691 8.302 1.00 0.00 C ATOM 0 H ILE A 15 -0.733 9.389 5.025 1.00 0.00 H new ATOM 0 HA ILE A 15 1.094 10.567 6.873 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.912 10.737 8.345 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.102 10.178 6.913 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.048 8.957 6.228 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.163 12.284 6.882 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.404 12.492 6.711 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.321 11.613 5.464 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.330 8.056 8.105 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.591 8.067 8.484 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.662 9.307 9.180 1.00 0.00 H new ATOM 246 N LYS A 16 -0.092 7.530 7.481 1.00 0.00 N ATOM 247 CA LYS A 16 0.138 6.326 8.280 1.00 0.00 C ATOM 248 C LYS A 16 -0.725 5.160 7.801 1.00 0.00 C ATOM 249 O LYS A 16 -1.587 5.322 6.937 1.00 0.00 O ATOM 250 CB LYS A 16 -0.122 6.607 9.769 1.00 0.00 C ATOM 251 CG LYS A 16 -1.592 6.564 10.173 1.00 0.00 C ATOM 252 CD LYS A 16 -1.843 5.527 11.257 1.00 0.00 C ATOM 253 CE LYS A 16 -3.274 5.015 11.216 1.00 0.00 C ATOM 254 NZ LYS A 16 -4.214 5.930 11.924 1.00 0.00 N ATOM 0 H LYS A 16 -0.811 7.433 6.764 1.00 0.00 H new ATOM 0 HA LYS A 16 1.183 6.042 8.152 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.427 5.878 10.365 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.281 7.589 10.016 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.901 7.547 10.530 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.204 6.335 9.300 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.153 4.693 11.131 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.639 5.964 12.235 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.589 4.903 10.179 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.319 4.026 11.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.179 5.544 11.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.929 6.018 12.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.191 6.867 11.474 1.00 0.00 H new ATOM 268 N ALA A 17 -0.481 3.984 8.376 1.00 0.00 N ATOM 269 CA ALA A 17 -1.227 2.782 8.022 1.00 0.00 C ATOM 270 C ALA A 17 -2.272 2.458 9.085 1.00 0.00 C ATOM 271 O ALA A 17 -2.074 2.738 10.267 1.00 0.00 O ATOM 272 CB ALA A 17 -0.277 1.609 7.835 1.00 0.00 C ATOM 0 H ALA A 17 0.231 3.840 9.092 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.747 2.966 7.082 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.847 0.718 7.571 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.430 1.837 7.038 1.00 0.00 H new ATOM 0 HB3 ALA A 17 0.267 1.430 8.762 1.00 0.00 H new ATOM 278 N ILE A 18 -3.388 1.870 8.661 1.00 0.00 N ATOM 279 CA ILE A 18 -4.462 1.519 9.583 1.00 0.00 C ATOM 280 C ILE A 18 -4.388 0.050 10.002 1.00 0.00 C ATOM 281 O ILE A 18 -4.031 -0.261 11.138 1.00 0.00 O ATOM 282 CB ILE A 18 -5.850 1.803 8.973 1.00 0.00 C ATOM 283 CG1 ILE A 18 -5.907 3.225 8.414 1.00 0.00 C ATOM 284 CG2 ILE A 18 -6.941 1.596 10.014 1.00 0.00 C ATOM 285 CD1 ILE A 18 -6.772 3.354 7.180 1.00 0.00 C ATOM 0 H ILE A 18 -3.571 1.628 7.687 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.327 2.146 10.465 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.017 1.103 8.154 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.286 3.895 9.185 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.896 3.554 8.175 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -7.914 1.801 9.567 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.914 0.566 10.369 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.777 2.273 10.852 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.766 4.389 6.838 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.381 2.710 6.393 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -7.793 3.056 7.419 1.00 0.00 H new ATOM 297 N ASP A 19 -4.738 -0.849 9.085 1.00 0.00 N ATOM 298 CA ASP A 19 -4.718 -2.281 9.376 1.00 0.00 C ATOM 299 C ASP A 19 -3.734 -3.025 8.476 1.00 0.00 C ATOM 300 O ASP A 19 -4.029 -4.117 7.989 1.00 0.00 O ATOM 301 CB ASP A 19 -6.120 -2.871 9.212 1.00 0.00 C ATOM 302 CG ASP A 19 -7.181 -2.052 9.923 1.00 0.00 C ATOM 303 OD1 ASP A 19 -7.439 -2.322 11.114 1.00 0.00 O ATOM 304 OD2 ASP A 19 -7.751 -1.140 9.288 1.00 0.00 O ATOM 0 H ASP A 19 -5.037 -0.613 8.139 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.389 -2.404 10.408 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.363 -2.933 8.151 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.130 -3.889 9.601 1.00 0.00 H new ATOM 309 N GLY A 20 -2.562 -2.437 8.263 1.00 0.00 N ATOM 310 CA GLY A 20 -1.557 -3.071 7.428 1.00 0.00 C ATOM 311 C GLY A 20 -1.763 -2.795 5.951 1.00 0.00 C ATOM 312 O GLY A 20 -0.843 -2.352 5.263 1.00 0.00 O ATOM 0 H GLY A 20 -2.290 -1.534 8.652 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.569 -2.719 7.725 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.576 -4.147 7.598 1.00 0.00 H new ATOM 316 N ASP A 21 -2.971 -3.057 5.462 1.00 0.00 N ATOM 317 CA ASP A 21 -3.290 -2.833 4.056 1.00 0.00 C ATOM 318 C ASP A 21 -3.967 -1.481 3.876 1.00 0.00 C ATOM 319 O ASP A 21 -3.507 -0.643 3.100 1.00 0.00 O ATOM 320 CB ASP A 21 -4.197 -3.948 3.532 1.00 0.00 C ATOM 321 CG ASP A 21 -3.415 -5.074 2.884 1.00 0.00 C ATOM 322 OD1 ASP A 21 -2.650 -4.796 1.937 1.00 0.00 O ATOM 323 OD2 ASP A 21 -3.568 -6.232 3.323 1.00 0.00 O ATOM 0 H ASP A 21 -3.744 -3.424 6.017 1.00 0.00 H new ATOM 0 HA ASP A 21 -2.361 -2.839 3.486 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.789 -4.348 4.355 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.898 -3.532 2.808 1.00 0.00 H new ATOM 328 N THR A 22 -5.056 -1.268 4.607 1.00 0.00 N ATOM 329 CA THR A 22 -5.784 -0.009 4.534 1.00 0.00 C ATOM 330 C THR A 22 -4.949 1.116 5.135 1.00 0.00 C ATOM 331 O THR A 22 -4.776 1.193 6.350 1.00 0.00 O ATOM 332 CB THR A 22 -7.121 -0.123 5.270 1.00 0.00 C ATOM 333 OG1 THR A 22 -7.741 -1.367 4.992 1.00 0.00 O ATOM 334 CG2 THR A 22 -8.103 0.970 4.904 1.00 0.00 C ATOM 0 H THR A 22 -5.452 -1.949 5.255 1.00 0.00 H new ATOM 0 HA THR A 22 -5.981 0.219 3.486 1.00 0.00 H new ATOM 0 HB THR A 22 -6.876 -0.029 6.328 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.593 -1.422 5.472 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.029 0.829 5.462 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.675 1.941 5.151 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.313 0.928 3.835 1.00 0.00 H new ATOM 342 N VAL A 23 -4.423 1.979 4.274 1.00 0.00 N ATOM 343 CA VAL A 23 -3.594 3.091 4.720 1.00 0.00 C ATOM 344 C VAL A 23 -4.118 4.420 4.186 1.00 0.00 C ATOM 345 O VAL A 23 -4.863 4.455 3.208 1.00 0.00 O ATOM 346 CB VAL A 23 -2.132 2.909 4.267 1.00 0.00 C ATOM 347 CG1 VAL A 23 -1.552 1.624 4.839 1.00 0.00 C ATOM 348 CG2 VAL A 23 -2.035 2.913 2.746 1.00 0.00 C ATOM 0 H VAL A 23 -4.556 1.930 3.264 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.635 3.102 5.809 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.549 3.748 4.647 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.519 1.512 4.509 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.582 1.664 5.928 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.138 0.774 4.491 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.995 2.783 2.447 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.633 2.097 2.341 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.408 3.862 2.360 1.00 0.00 H new ATOM 358 N LYS A 24 -3.718 5.510 4.828 1.00 0.00 N ATOM 359 CA LYS A 24 -4.146 6.837 4.406 1.00 0.00 C ATOM 360 C LYS A 24 -3.101 7.476 3.499 1.00 0.00 C ATOM 361 O LYS A 24 -1.901 7.316 3.707 1.00 0.00 O ATOM 362 CB LYS A 24 -4.403 7.733 5.619 1.00 0.00 C ATOM 363 CG LYS A 24 -4.607 9.199 5.264 1.00 0.00 C ATOM 364 CD LYS A 24 -5.789 9.389 4.326 1.00 0.00 C ATOM 365 CE LYS A 24 -7.004 9.931 5.062 1.00 0.00 C ATOM 366 NZ LYS A 24 -6.679 11.155 5.847 1.00 0.00 N ATOM 0 H LYS A 24 -3.100 5.502 5.640 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.076 6.729 3.847 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.285 7.370 6.147 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.562 7.648 6.307 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.768 9.775 6.175 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.704 9.590 4.796 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.512 10.074 3.525 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.040 8.437 3.859 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.791 10.159 4.344 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.395 9.164 5.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.443 11.852 5.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.580 10.907 6.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.787 11.562 5.501 1.00 0.00 H new ATOM 380 N LEU A 25 -3.570 8.197 2.495 1.00 0.00 N ATOM 381 CA LEU A 25 -2.686 8.865 1.549 1.00 0.00 C ATOM 382 C LEU A 25 -3.232 10.231 1.166 1.00 0.00 C ATOM 383 O LEU A 25 -4.298 10.322 0.561 1.00 0.00 O ATOM 384 CB LEU A 25 -2.532 8.021 0.281 1.00 0.00 C ATOM 385 CG LEU A 25 -1.409 6.982 0.304 1.00 0.00 C ATOM 386 CD1 LEU A 25 -1.949 5.606 -0.050 1.00 0.00 C ATOM 387 CD2 LEU A 25 -0.302 7.374 -0.662 1.00 0.00 C ATOM 0 H LEU A 25 -4.564 8.337 2.312 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.717 8.990 2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.474 7.506 0.094 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.363 8.692 -0.561 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.997 6.946 1.312 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.136 4.880 -0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.712 5.318 0.673 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.386 5.632 -1.048 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.489 6.624 -0.633 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.706 7.436 -1.672 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.106 8.343 -0.374 1.00 0.00 H new ATOM 399 N MET A 26 -2.487 11.286 1.476 1.00 0.00 N ATOM 400 CA MET A 26 -2.910 12.639 1.113 1.00 0.00 C ATOM 401 C MET A 26 -2.750 12.801 -0.396 1.00 0.00 C ATOM 402 O MET A 26 -1.645 13.013 -0.895 1.00 0.00 O ATOM 403 CB MET A 26 -2.054 13.674 1.848 1.00 0.00 C ATOM 404 CG MET A 26 -2.785 14.390 2.971 1.00 0.00 C ATOM 405 SD MET A 26 -1.659 15.097 4.189 1.00 0.00 S ATOM 406 CE MET A 26 -2.651 14.989 5.676 1.00 0.00 C ATOM 0 H MET A 26 -1.597 11.236 1.972 1.00 0.00 H new ATOM 0 HA MET A 26 -3.951 12.795 1.398 1.00 0.00 H new ATOM 0 HB2 MET A 26 -1.174 13.178 2.258 1.00 0.00 H new ATOM 0 HB3 MET A 26 -1.698 14.413 1.130 1.00 0.00 H new ATOM 0 HG2 MET A 26 -3.404 15.183 2.550 1.00 0.00 H new ATOM 0 HG3 MET A 26 -3.458 13.690 3.466 1.00 0.00 H new ATOM 0 HE1 MET A 26 -2.009 15.098 6.550 1.00 0.00 H new ATOM 0 HE2 MET A 26 -3.398 15.783 5.673 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.150 14.021 5.711 1.00 0.00 H new ATOM 416 N TYR A 27 -3.855 12.657 -1.117 1.00 0.00 N ATOM 417 CA TYR A 27 -3.843 12.741 -2.572 1.00 0.00 C ATOM 418 C TYR A 27 -4.226 14.130 -3.072 1.00 0.00 C ATOM 419 O TYR A 27 -5.395 14.501 -3.063 1.00 0.00 O ATOM 420 CB TYR A 27 -4.788 11.680 -3.139 1.00 0.00 C ATOM 421 CG TYR A 27 -4.733 11.544 -4.640 1.00 0.00 C ATOM 422 CD1 TYR A 27 -5.147 12.580 -5.459 1.00 0.00 C ATOM 423 CD2 TYR A 27 -4.278 10.376 -5.236 1.00 0.00 C ATOM 424 CE1 TYR A 27 -5.113 12.464 -6.829 1.00 0.00 C ATOM 425 CE2 TYR A 27 -4.237 10.247 -6.610 1.00 0.00 C ATOM 426 CZ TYR A 27 -4.656 11.295 -7.405 1.00 0.00 C ATOM 427 OH TYR A 27 -4.619 11.175 -8.775 1.00 0.00 O ATOM 0 H TYR A 27 -4.776 12.481 -0.715 1.00 0.00 H new ATOM 0 HA TYR A 27 -2.827 12.556 -2.919 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.547 10.717 -2.689 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -5.809 11.923 -2.844 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -5.504 13.497 -5.014 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.951 9.555 -4.615 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -5.442 13.283 -7.451 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.880 9.332 -7.060 1.00 0.00 H new ATOM 0 HH TYR A 27 -4.318 12.020 -9.169 1.00 0.00 H new ATOM 437 N LYS A 28 -3.221 14.881 -3.523 1.00 0.00 N ATOM 438 CA LYS A 28 -3.419 16.233 -4.055 1.00 0.00 C ATOM 439 C LYS A 28 -4.470 17.019 -3.269 1.00 0.00 C ATOM 440 O LYS A 28 -5.413 17.565 -3.844 1.00 0.00 O ATOM 441 CB LYS A 28 -3.810 16.159 -5.536 1.00 0.00 C ATOM 442 CG LYS A 28 -2.985 17.073 -6.427 1.00 0.00 C ATOM 443 CD LYS A 28 -3.163 18.535 -6.046 1.00 0.00 C ATOM 444 CE LYS A 28 -1.834 19.188 -5.700 1.00 0.00 C ATOM 445 NZ LYS A 28 -1.966 20.159 -4.579 1.00 0.00 N ATOM 0 H LYS A 28 -2.249 14.572 -3.531 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.475 16.767 -3.951 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.700 15.131 -5.882 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.864 16.419 -5.639 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.932 16.802 -6.351 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.277 16.929 -7.467 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.629 19.073 -6.871 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.839 18.610 -5.194 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.111 18.418 -5.430 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.442 19.700 -6.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.038 20.582 -4.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.636 20.908 -4.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.316 19.667 -3.733 1.00 0.00 H new ATOM 459 N GLY A 29 -4.298 17.082 -1.954 1.00 0.00 N ATOM 460 CA GLY A 29 -5.234 17.813 -1.120 1.00 0.00 C ATOM 461 C GLY A 29 -6.389 16.957 -0.638 1.00 0.00 C ATOM 462 O GLY A 29 -7.106 17.340 0.286 1.00 0.00 O ATOM 0 H GLY A 29 -3.528 16.641 -1.451 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.704 18.218 -0.258 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.626 18.661 -1.681 1.00 0.00 H new ATOM 466 N GLN A 30 -6.568 15.791 -1.253 1.00 0.00 N ATOM 467 CA GLN A 30 -7.639 14.883 -0.862 1.00 0.00 C ATOM 468 C GLN A 30 -7.057 13.541 -0.430 1.00 0.00 C ATOM 469 O GLN A 30 -6.762 12.691 -1.266 1.00 0.00 O ATOM 470 CB GLN A 30 -8.620 14.653 -2.025 1.00 0.00 C ATOM 471 CG GLN A 30 -8.492 15.643 -3.177 1.00 0.00 C ATOM 472 CD GLN A 30 -7.649 15.104 -4.316 1.00 0.00 C ATOM 473 OE1 GLN A 30 -6.822 15.819 -4.880 1.00 0.00 O ATOM 474 NE2 GLN A 30 -7.857 13.840 -4.667 1.00 0.00 N ATOM 0 H GLN A 30 -5.987 15.455 -2.021 1.00 0.00 H new ATOM 0 HA GLN A 30 -8.176 15.339 -0.031 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.471 13.645 -2.413 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -9.638 14.698 -1.637 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -9.486 15.891 -3.551 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.050 16.569 -2.809 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.553 13.281 -4.173 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.321 13.428 -5.431 1.00 0.00 H new ATOM 483 N PRO A 31 -6.876 13.324 0.882 1.00 0.00 N ATOM 484 CA PRO A 31 -6.320 12.082 1.405 1.00 0.00 C ATOM 485 C PRO A 31 -7.312 10.925 1.379 1.00 0.00 C ATOM 486 O PRO A 31 -8.182 10.811 2.242 1.00 0.00 O ATOM 487 CB PRO A 31 -5.930 12.430 2.853 1.00 0.00 C ATOM 488 CG PRO A 31 -6.118 13.908 2.972 1.00 0.00 C ATOM 489 CD PRO A 31 -7.164 14.264 1.961 1.00 0.00 C ATOM 0 HA PRO A 31 -5.482 11.739 0.798 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.556 11.896 3.567 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.898 12.148 3.060 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -6.435 14.183 3.978 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.186 14.439 2.776 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -8.172 14.136 2.355 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.079 15.300 1.633 1.00 0.00 H new ATOM 497 N MET A 32 -7.146 10.056 0.392 1.00 0.00 N ATOM 498 CA MET A 32 -7.988 8.875 0.241 1.00 0.00 C ATOM 499 C MET A 32 -7.259 7.672 0.827 1.00 0.00 C ATOM 500 O MET A 32 -6.031 7.613 0.800 1.00 0.00 O ATOM 501 CB MET A 32 -8.286 8.629 -1.240 1.00 0.00 C ATOM 502 CG MET A 32 -8.833 9.851 -1.961 1.00 0.00 C ATOM 503 SD MET A 32 -10.218 9.458 -3.048 1.00 0.00 S ATOM 504 CE MET A 32 -10.042 10.734 -4.291 1.00 0.00 C ATOM 0 H MET A 32 -6.427 10.148 -0.325 1.00 0.00 H new ATOM 0 HA MET A 32 -8.931 9.029 0.766 1.00 0.00 H new ATOM 0 HB2 MET A 32 -7.372 8.303 -1.737 1.00 0.00 H new ATOM 0 HB3 MET A 32 -9.004 7.814 -1.327 1.00 0.00 H new ATOM 0 HG2 MET A 32 -9.152 10.589 -1.225 1.00 0.00 H new ATOM 0 HG3 MET A 32 -8.036 10.309 -2.547 1.00 0.00 H new ATOM 0 HE1 MET A 32 -10.829 10.626 -5.038 1.00 0.00 H new ATOM 0 HE2 MET A 32 -10.121 11.714 -3.820 1.00 0.00 H new ATOM 0 HE3 MET A 32 -9.069 10.641 -4.773 1.00 0.00 H new ATOM 514 N THR A 33 -8.003 6.714 1.352 1.00 0.00 N ATOM 515 CA THR A 33 -7.393 5.523 1.925 1.00 0.00 C ATOM 516 C THR A 33 -6.970 4.572 0.801 1.00 0.00 C ATOM 517 O THR A 33 -7.458 4.683 -0.323 1.00 0.00 O ATOM 518 CB THR A 33 -8.337 4.857 2.923 1.00 0.00 C ATOM 519 OG1 THR A 33 -8.940 5.829 3.760 1.00 0.00 O ATOM 520 CG2 THR A 33 -7.647 3.850 3.819 1.00 0.00 C ATOM 0 H THR A 33 -9.022 6.735 1.394 1.00 0.00 H new ATOM 0 HA THR A 33 -6.499 5.804 2.481 1.00 0.00 H new ATOM 0 HB THR A 33 -9.079 4.334 2.319 1.00 0.00 H new ATOM 0 HG1 THR A 33 -9.543 5.387 4.393 1.00 0.00 H new ATOM 0 HG21 THR A 33 -8.374 3.414 4.504 1.00 0.00 H new ATOM 0 HG22 THR A 33 -7.206 3.062 3.209 1.00 0.00 H new ATOM 0 HG23 THR A 33 -6.864 4.348 4.390 1.00 0.00 H new ATOM 528 N PHE A 34 -6.039 3.670 1.090 1.00 0.00 N ATOM 529 CA PHE A 34 -5.534 2.739 0.090 1.00 0.00 C ATOM 530 C PHE A 34 -5.261 1.375 0.709 1.00 0.00 C ATOM 531 O PHE A 34 -4.646 1.275 1.771 1.00 0.00 O ATOM 532 CB PHE A 34 -4.291 3.319 -0.578 1.00 0.00 C ATOM 533 CG PHE A 34 -4.609 4.519 -1.427 1.00 0.00 C ATOM 534 CD1 PHE A 34 -4.786 5.766 -0.852 1.00 0.00 C ATOM 535 CD2 PHE A 34 -4.745 4.396 -2.799 1.00 0.00 C ATOM 536 CE1 PHE A 34 -5.089 6.868 -1.629 1.00 0.00 C ATOM 537 CE2 PHE A 34 -5.052 5.494 -3.580 1.00 0.00 C ATOM 538 CZ PHE A 34 -5.223 6.732 -2.994 1.00 0.00 C ATOM 0 H PHE A 34 -5.618 3.564 2.013 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.293 2.594 -0.679 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.567 3.599 0.187 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.822 2.553 -1.196 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.686 5.879 0.217 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.610 3.431 -3.264 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.221 7.835 -1.167 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -5.158 5.383 -4.649 1.00 0.00 H new ATOM 0 HZ PHE A 34 -5.461 7.591 -3.603 1.00 0.00 H new ATOM 548 N ARG A 35 -5.741 0.329 0.053 1.00 0.00 N ATOM 549 CA ARG A 35 -5.573 -1.027 0.549 1.00 0.00 C ATOM 550 C ARG A 35 -5.113 -1.972 -0.559 1.00 0.00 C ATOM 551 O ARG A 35 -5.848 -2.230 -1.513 1.00 0.00 O ATOM 552 CB ARG A 35 -6.896 -1.503 1.150 1.00 0.00 C ATOM 553 CG ARG A 35 -6.953 -3.000 1.436 1.00 0.00 C ATOM 554 CD ARG A 35 -8.067 -3.683 0.658 1.00 0.00 C ATOM 555 NE ARG A 35 -8.041 -3.334 -0.760 1.00 0.00 N ATOM 556 CZ ARG A 35 -8.749 -3.968 -1.693 1.00 0.00 C ATOM 557 NH1 ARG A 35 -9.532 -4.989 -1.366 1.00 0.00 N ATOM 558 NH2 ARG A 35 -8.672 -3.579 -2.958 1.00 0.00 N ATOM 0 H ARG A 35 -6.252 0.395 -0.827 1.00 0.00 H new ATOM 0 HA ARG A 35 -4.799 -1.030 1.316 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.076 -0.961 2.078 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.706 -1.244 0.468 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.997 -3.456 1.178 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -7.104 -3.160 2.503 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -7.975 -4.764 0.767 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -9.031 -3.401 1.083 1.00 0.00 H new ATOM 0 HE ARG A 35 -7.446 -2.559 -1.053 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -9.594 -5.293 -0.394 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -10.071 -5.469 -2.086 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -8.071 -2.796 -3.215 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -9.213 -4.063 -3.674 1.00 0.00 H new ATOM 572 N LEU A 36 -3.896 -2.491 -0.415 1.00 0.00 N ATOM 573 CA LEU A 36 -3.323 -3.421 -1.387 1.00 0.00 C ATOM 574 C LEU A 36 -1.845 -3.660 -1.090 1.00 0.00 C ATOM 575 O LEU A 36 -1.474 -4.702 -0.551 1.00 0.00 O ATOM 576 CB LEU A 36 -3.494 -2.900 -2.820 1.00 0.00 C ATOM 577 CG LEU A 36 -4.144 -3.887 -3.794 1.00 0.00 C ATOM 578 CD1 LEU A 36 -5.660 -3.800 -3.715 1.00 0.00 C ATOM 579 CD2 LEU A 36 -3.666 -3.623 -5.214 1.00 0.00 C ATOM 0 H LEU A 36 -3.282 -2.281 0.372 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.859 -4.366 -1.301 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.096 -1.992 -2.791 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.515 -2.621 -3.209 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.846 -4.897 -3.511 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.102 -4.509 -4.415 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.986 -4.038 -2.702 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.980 -2.790 -3.971 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.137 -4.333 -5.894 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.935 -2.608 -5.506 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.583 -3.739 -5.261 1.00 0.00 H new ATOM 591 N LEU A 37 -1.009 -2.685 -1.439 1.00 0.00 N ATOM 592 CA LEU A 37 0.431 -2.779 -1.206 1.00 0.00 C ATOM 593 C LEU A 37 1.005 -4.068 -1.797 1.00 0.00 C ATOM 594 O LEU A 37 1.483 -4.078 -2.932 1.00 0.00 O ATOM 595 CB LEU A 37 0.732 -2.698 0.292 1.00 0.00 C ATOM 596 CG LEU A 37 0.691 -1.287 0.882 1.00 0.00 C ATOM 597 CD1 LEU A 37 0.142 -1.314 2.300 1.00 0.00 C ATOM 598 CD2 LEU A 37 2.076 -0.661 0.856 1.00 0.00 C ATOM 0 H LEU A 37 -1.305 -1.817 -1.886 1.00 0.00 H new ATOM 0 HA LEU A 37 0.910 -1.938 -1.708 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.014 -3.320 0.826 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.719 -3.123 0.473 1.00 0.00 H new ATOM 0 HG LEU A 37 0.025 -0.678 0.271 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.121 -0.301 2.701 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.869 -1.722 2.291 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.780 -1.939 2.925 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.030 0.342 1.279 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.762 -1.271 1.443 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.431 -0.605 -0.173 1.00 0.00 H new ATOM 610 N LEU A 38 0.953 -5.151 -1.028 1.00 0.00 N ATOM 611 CA LEU A 38 1.466 -6.436 -1.482 1.00 0.00 C ATOM 612 C LEU A 38 0.464 -7.548 -1.193 1.00 0.00 C ATOM 613 O LEU A 38 0.395 -8.059 -0.075 1.00 0.00 O ATOM 614 CB LEU A 38 2.803 -6.748 -0.808 1.00 0.00 C ATOM 615 CG LEU A 38 3.771 -7.587 -1.647 1.00 0.00 C ATOM 616 CD1 LEU A 38 5.160 -6.967 -1.647 1.00 0.00 C ATOM 617 CD2 LEU A 38 3.825 -9.018 -1.128 1.00 0.00 C ATOM 0 H LEU A 38 0.560 -5.163 -0.087 1.00 0.00 H new ATOM 0 HA LEU A 38 1.621 -6.378 -2.559 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.291 -5.808 -0.550 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.608 -7.273 0.127 1.00 0.00 H new ATOM 0 HG LEU A 38 3.405 -7.606 -2.674 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.832 -7.579 -2.249 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.110 -5.962 -2.067 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.535 -6.915 -0.625 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.518 -9.600 -1.736 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.164 -9.017 -0.092 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.832 -9.463 -1.184 1.00 0.00 H new ATOM 629 N VAL A 39 -0.310 -7.918 -2.206 1.00 0.00 N ATOM 630 CA VAL A 39 -1.308 -8.968 -2.058 1.00 0.00 C ATOM 631 C VAL A 39 -0.650 -10.296 -1.695 1.00 0.00 C ATOM 632 O VAL A 39 0.036 -10.905 -2.516 1.00 0.00 O ATOM 633 CB VAL A 39 -2.136 -9.145 -3.347 1.00 0.00 C ATOM 634 CG1 VAL A 39 -1.238 -9.534 -4.512 1.00 0.00 C ATOM 635 CG2 VAL A 39 -3.234 -10.177 -3.142 1.00 0.00 C ATOM 0 H VAL A 39 -0.265 -7.506 -3.138 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.976 -8.664 -1.252 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.607 -8.192 -3.585 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.841 -9.654 -5.412 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.495 -8.754 -4.675 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.734 -10.473 -4.285 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.807 -10.287 -4.063 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.788 -11.135 -2.876 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.896 -9.850 -2.340 1.00 0.00 H new ATOM 645 N ASP A 40 -0.862 -10.737 -0.459 1.00 0.00 N ATOM 646 CA ASP A 40 -0.287 -11.990 0.014 1.00 0.00 C ATOM 647 C ASP A 40 -1.318 -12.801 0.794 1.00 0.00 C ATOM 648 O ASP A 40 -2.497 -12.448 0.838 1.00 0.00 O ATOM 649 CB ASP A 40 0.936 -11.713 0.890 1.00 0.00 C ATOM 650 CG ASP A 40 2.239 -11.867 0.131 1.00 0.00 C ATOM 651 OD1 ASP A 40 2.284 -12.688 -0.809 1.00 0.00 O ATOM 652 OD2 ASP A 40 3.214 -11.169 0.477 1.00 0.00 O ATOM 0 H ASP A 40 -1.428 -10.245 0.233 1.00 0.00 H new ATOM 0 HA ASP A 40 0.022 -12.572 -0.854 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.870 -10.702 1.291 1.00 0.00 H new ATOM 0 HB3 ASP A 40 0.932 -12.394 1.741 1.00 0.00 H new ATOM 657 N THR A 41 -0.867 -13.894 1.402 1.00 0.00 N ATOM 658 CA THR A 41 -1.750 -14.759 2.174 1.00 0.00 C ATOM 659 C THR A 41 -1.234 -14.941 3.602 1.00 0.00 C ATOM 660 O THR A 41 -0.169 -15.520 3.814 1.00 0.00 O ATOM 661 CB THR A 41 -1.879 -16.117 1.485 1.00 0.00 C ATOM 662 OG1 THR A 41 -2.460 -17.071 2.357 1.00 0.00 O ATOM 663 CG2 THR A 41 -0.554 -16.673 1.010 1.00 0.00 C ATOM 0 H THR A 41 0.105 -14.201 1.374 1.00 0.00 H new ATOM 0 HA THR A 41 -2.731 -14.286 2.227 1.00 0.00 H new ATOM 0 HB THR A 41 -2.514 -15.942 0.616 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.831 -17.280 3.079 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.716 -17.638 0.530 1.00 0.00 H new ATOM 0 HG22 THR A 41 -0.105 -15.983 0.295 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.114 -16.799 1.862 1.00 0.00 H new ATOM 671 N PRO A 42 -1.986 -14.447 4.607 1.00 0.00 N ATOM 672 CA PRO A 42 -1.592 -14.562 6.015 1.00 0.00 C ATOM 673 C PRO A 42 -1.567 -16.009 6.490 1.00 0.00 C ATOM 674 O PRO A 42 -2.610 -16.652 6.599 1.00 0.00 O ATOM 675 CB PRO A 42 -2.682 -13.784 6.768 1.00 0.00 C ATOM 676 CG PRO A 42 -3.371 -12.965 5.733 1.00 0.00 C ATOM 677 CD PRO A 42 -3.266 -13.741 4.454 1.00 0.00 C ATOM 0 HA PRO A 42 -0.585 -14.180 6.181 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -3.379 -14.462 7.261 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -2.249 -13.153 7.544 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -4.414 -12.794 6.001 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.902 -11.986 5.635 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.098 -14.434 4.332 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.266 -13.086 3.582 1.00 0.00 H new ATOM 685 N GLU A 43 -0.372 -16.512 6.784 1.00 0.00 N ATOM 686 CA GLU A 43 -0.207 -17.883 7.263 1.00 0.00 C ATOM 687 C GLU A 43 -0.521 -18.916 6.177 1.00 0.00 C ATOM 688 O GLU A 43 0.262 -19.838 5.948 1.00 0.00 O ATOM 689 CB GLU A 43 -1.095 -18.128 8.488 1.00 0.00 C ATOM 690 CG GLU A 43 -0.309 -18.336 9.774 1.00 0.00 C ATOM 691 CD GLU A 43 -1.207 -18.562 10.975 1.00 0.00 C ATOM 692 OE1 GLU A 43 -2.329 -19.077 10.788 1.00 0.00 O ATOM 693 OE2 GLU A 43 -0.787 -18.224 12.101 1.00 0.00 O ATOM 0 H GLU A 43 0.500 -15.990 6.699 1.00 0.00 H new ATOM 0 HA GLU A 43 0.840 -18.004 7.540 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.767 -17.280 8.615 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.718 -19.004 8.306 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.355 -19.192 9.655 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.322 -17.466 9.955 1.00 0.00 H new ATOM 700 N THR A 44 -1.672 -18.775 5.519 1.00 0.00 N ATOM 701 CA THR A 44 -2.073 -19.715 4.479 1.00 0.00 C ATOM 702 C THR A 44 -1.284 -19.492 3.194 1.00 0.00 C ATOM 703 O THR A 44 -0.580 -18.494 3.049 1.00 0.00 O ATOM 704 CB THR A 44 -3.573 -19.590 4.199 1.00 0.00 C ATOM 705 OG1 THR A 44 -4.225 -18.900 5.251 1.00 0.00 O ATOM 706 CG2 THR A 44 -4.263 -20.925 4.029 1.00 0.00 C ATOM 0 H THR A 44 -2.338 -18.022 5.689 1.00 0.00 H new ATOM 0 HA THR A 44 -1.857 -20.721 4.839 1.00 0.00 H new ATOM 0 HB THR A 44 -3.646 -19.039 3.261 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.182 -18.829 5.052 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.323 -20.764 3.833 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.817 -21.461 3.192 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.147 -21.513 4.939 1.00 0.00 H new ATOM 714 N LYS A 45 -1.410 -20.433 2.265 1.00 0.00 N ATOM 715 CA LYS A 45 -0.716 -20.351 0.985 1.00 0.00 C ATOM 716 C LYS A 45 -1.709 -20.327 -0.177 1.00 0.00 C ATOM 717 O LYS A 45 -1.365 -19.930 -1.291 1.00 0.00 O ATOM 718 CB LYS A 45 0.244 -21.532 0.826 1.00 0.00 C ATOM 719 CG LYS A 45 1.352 -21.284 -0.186 1.00 0.00 C ATOM 720 CD LYS A 45 2.727 -21.346 0.461 1.00 0.00 C ATOM 721 CE LYS A 45 2.993 -22.709 1.080 1.00 0.00 C ATOM 722 NZ LYS A 45 2.913 -22.669 2.566 1.00 0.00 N ATOM 0 H LYS A 45 -1.989 -21.265 2.375 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.146 -19.422 0.969 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.691 -21.759 1.794 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.323 -22.412 0.523 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.290 -22.026 -0.982 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.211 -20.307 -0.649 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.491 -21.129 -0.285 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.804 -20.576 1.229 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.270 -23.429 0.697 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.981 -23.058 0.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.864 -22.792 2.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.525 -21.753 2.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.294 -23.434 2.901 1.00 0.00 H new ATOM 736 N HIS A 46 -2.943 -20.755 0.087 1.00 0.00 N ATOM 737 CA HIS A 46 -3.981 -20.783 -0.937 1.00 0.00 C ATOM 738 C HIS A 46 -4.428 -19.368 -1.298 1.00 0.00 C ATOM 739 O HIS A 46 -4.044 -18.400 -0.640 1.00 0.00 O ATOM 740 CB HIS A 46 -5.178 -21.605 -0.451 1.00 0.00 C ATOM 741 CG HIS A 46 -5.234 -22.986 -1.030 1.00 0.00 C ATOM 742 ND1 HIS A 46 -4.772 -23.295 -2.292 1.00 0.00 N ATOM 743 CD2 HIS A 46 -5.704 -24.145 -0.510 1.00 0.00 C ATOM 744 CE1 HIS A 46 -4.954 -24.582 -2.524 1.00 0.00 C ATOM 745 NE2 HIS A 46 -5.517 -25.120 -1.458 1.00 0.00 N ATOM 0 H HIS A 46 -3.246 -21.087 1.003 1.00 0.00 H new ATOM 0 HA HIS A 46 -3.567 -21.250 -1.831 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -5.141 -21.677 0.636 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -6.097 -21.077 -0.704 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.144 -24.277 0.468 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.688 -25.105 -3.431 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -5.772 -26.102 -1.355 1.00 0.00 H new ATOM 754 N PRO A 47 -5.248 -19.228 -2.356 1.00 0.00 N ATOM 755 CA PRO A 47 -5.745 -17.925 -2.808 1.00 0.00 C ATOM 756 C PRO A 47 -6.239 -17.048 -1.660 1.00 0.00 C ATOM 757 O PRO A 47 -7.405 -17.113 -1.272 1.00 0.00 O ATOM 758 CB PRO A 47 -6.902 -18.300 -3.731 1.00 0.00 C ATOM 759 CG PRO A 47 -6.521 -19.628 -4.287 1.00 0.00 C ATOM 760 CD PRO A 47 -5.749 -20.331 -3.201 1.00 0.00 C ATOM 0 HA PRO A 47 -4.964 -17.336 -3.288 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.844 -18.354 -3.185 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.034 -17.562 -4.522 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -7.405 -20.200 -4.569 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.914 -19.515 -5.185 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -6.384 -21.012 -2.635 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.932 -20.924 -3.611 1.00 0.00 H new ATOM 768 N LYS A 48 -5.341 -16.224 -1.128 1.00 0.00 N ATOM 769 CA LYS A 48 -5.678 -15.324 -0.032 1.00 0.00 C ATOM 770 C LYS A 48 -5.265 -13.894 -0.374 1.00 0.00 C ATOM 771 O LYS A 48 -4.538 -13.667 -1.341 1.00 0.00 O ATOM 772 CB LYS A 48 -5.001 -15.782 1.263 1.00 0.00 C ATOM 773 CG LYS A 48 -5.973 -16.329 2.297 1.00 0.00 C ATOM 774 CD LYS A 48 -6.970 -15.272 2.741 1.00 0.00 C ATOM 775 CE LYS A 48 -8.164 -15.896 3.446 1.00 0.00 C ATOM 776 NZ LYS A 48 -9.258 -16.236 2.493 1.00 0.00 N ATOM 0 H LYS A 48 -4.372 -16.162 -1.440 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.758 -15.347 0.117 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.265 -16.550 1.026 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.457 -14.942 1.696 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.508 -17.182 1.879 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.418 -16.693 3.162 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.479 -14.565 3.410 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.312 -14.706 1.875 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.846 -16.797 3.970 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.541 -15.206 4.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.053 -16.659 3.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.580 -15.372 2.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.906 -16.915 1.788 1.00 0.00 H new ATOM 790 N LYS A 49 -5.739 -12.932 0.411 1.00 0.00 N ATOM 791 CA LYS A 49 -5.418 -11.528 0.167 1.00 0.00 C ATOM 792 C LYS A 49 -5.012 -10.813 1.452 1.00 0.00 C ATOM 793 O LYS A 49 -5.498 -11.134 2.536 1.00 0.00 O ATOM 794 CB LYS A 49 -6.616 -10.818 -0.468 1.00 0.00 C ATOM 795 CG LYS A 49 -6.296 -10.153 -1.795 1.00 0.00 C ATOM 796 CD LYS A 49 -7.505 -10.140 -2.715 1.00 0.00 C ATOM 797 CE LYS A 49 -7.247 -9.313 -3.964 1.00 0.00 C ATOM 798 NZ LYS A 49 -7.858 -7.958 -3.869 1.00 0.00 N ATOM 0 H LYS A 49 -6.343 -13.096 1.217 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.570 -11.495 -0.517 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.418 -11.541 -0.618 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -6.990 -10.065 0.225 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.959 -9.131 -1.620 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.474 -10.681 -2.279 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.758 -11.161 -3.000 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.365 -9.736 -2.181 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.173 -9.217 -4.120 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.650 -9.833 -4.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.659 -7.426 -4.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.887 -8.049 -3.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.455 -7.452 -3.055 1.00 0.00 H new ATOM 812 N GLY A 50 -4.122 -9.833 1.314 1.00 0.00 N ATOM 813 CA GLY A 50 -3.663 -9.071 2.460 1.00 0.00 C ATOM 814 C GLY A 50 -2.962 -9.929 3.493 1.00 0.00 C ATOM 815 O GLY A 50 -3.519 -10.915 3.967 1.00 0.00 O ATOM 0 H GLY A 50 -3.710 -9.553 0.424 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.983 -8.289 2.122 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.514 -8.574 2.925 1.00 0.00 H new ATOM 819 N VAL A 51 -1.736 -9.549 3.843 1.00 0.00 N ATOM 820 CA VAL A 51 -0.952 -10.289 4.831 1.00 0.00 C ATOM 821 C VAL A 51 -1.526 -10.113 6.232 1.00 0.00 C ATOM 822 O VAL A 51 -2.305 -9.196 6.486 1.00 0.00 O ATOM 823 CB VAL A 51 0.529 -9.853 4.846 1.00 0.00 C ATOM 824 CG1 VAL A 51 1.320 -10.602 3.787 1.00 0.00 C ATOM 825 CG2 VAL A 51 0.667 -8.350 4.658 1.00 0.00 C ATOM 0 H VAL A 51 -1.262 -8.732 3.457 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.006 -11.337 4.537 1.00 0.00 H new ATOM 0 HB VAL A 51 0.939 -10.104 5.824 1.00 0.00 H new ATOM 0 HG11 VAL A 51 2.361 -10.280 3.815 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.266 -11.673 3.982 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.901 -10.391 2.803 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.722 -8.077 4.674 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.231 -8.061 3.701 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.146 -7.833 5.464 1.00 0.00 H new ATOM 835 N GLU A 52 -1.138 -11.008 7.136 1.00 0.00 N ATOM 836 CA GLU A 52 -1.616 -10.961 8.515 1.00 0.00 C ATOM 837 C GLU A 52 -1.280 -9.629 9.168 1.00 0.00 C ATOM 838 O GLU A 52 -0.512 -8.834 8.627 1.00 0.00 O ATOM 839 CB GLU A 52 -0.998 -12.096 9.342 1.00 0.00 C ATOM 840 CG GLU A 52 0.461 -12.373 9.011 1.00 0.00 C ATOM 841 CD GLU A 52 1.349 -12.373 10.241 1.00 0.00 C ATOM 842 OE1 GLU A 52 0.841 -12.677 11.340 1.00 0.00 O ATOM 843 OE2 GLU A 52 2.553 -12.069 10.104 1.00 0.00 O ATOM 0 H GLU A 52 -0.494 -11.774 6.939 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.699 -11.079 8.488 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.080 -11.848 10.400 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.576 -13.006 9.182 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.539 -13.338 8.511 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.820 -11.620 8.309 1.00 0.00 H new ATOM 850 N LYS A 53 -1.850 -9.403 10.344 1.00 0.00 N ATOM 851 CA LYS A 53 -1.600 -8.177 11.092 1.00 0.00 C ATOM 852 C LYS A 53 -0.378 -8.363 11.982 1.00 0.00 C ATOM 853 O LYS A 53 -0.475 -8.922 13.076 1.00 0.00 O ATOM 854 CB LYS A 53 -2.823 -7.806 11.938 1.00 0.00 C ATOM 855 CG LYS A 53 -3.344 -6.402 11.674 1.00 0.00 C ATOM 856 CD LYS A 53 -2.900 -5.429 12.755 1.00 0.00 C ATOM 857 CE LYS A 53 -3.349 -4.009 12.444 1.00 0.00 C ATOM 858 NZ LYS A 53 -4.609 -3.656 13.153 1.00 0.00 N ATOM 0 H LYS A 53 -2.489 -10.053 10.801 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.412 -7.365 10.390 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.620 -8.523 11.742 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.565 -7.896 12.993 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.987 -6.057 10.704 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.433 -6.420 11.625 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.310 -5.739 13.716 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.814 -5.457 12.848 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.564 -3.309 12.730 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.495 -3.902 11.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.880 -2.681 12.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.366 -4.307 12.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.463 -3.733 14.180 1.00 0.00 H new ATOM 872 N TYR A 54 0.777 -7.913 11.502 1.00 0.00 N ATOM 873 CA TYR A 54 2.018 -8.061 12.260 1.00 0.00 C ATOM 874 C TYR A 54 2.316 -6.819 13.094 1.00 0.00 C ATOM 875 O TYR A 54 2.804 -6.928 14.218 1.00 0.00 O ATOM 876 CB TYR A 54 3.194 -8.355 11.316 1.00 0.00 C ATOM 877 CG TYR A 54 2.984 -7.860 9.899 1.00 0.00 C ATOM 878 CD1 TYR A 54 2.166 -8.555 9.014 1.00 0.00 C ATOM 879 CD2 TYR A 54 3.588 -6.693 9.452 1.00 0.00 C ATOM 880 CE1 TYR A 54 1.956 -8.098 7.727 1.00 0.00 C ATOM 881 CE2 TYR A 54 3.385 -6.233 8.165 1.00 0.00 C ATOM 882 CZ TYR A 54 2.569 -6.936 7.308 1.00 0.00 C ATOM 883 OH TYR A 54 2.365 -6.473 6.030 1.00 0.00 O ATOM 0 H TYR A 54 0.881 -7.447 10.601 1.00 0.00 H new ATOM 0 HA TYR A 54 1.888 -8.902 12.941 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.096 -7.895 11.721 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.368 -9.431 11.292 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.687 -9.467 9.338 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.227 -6.136 10.121 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.316 -8.648 7.053 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.865 -5.325 7.832 1.00 0.00 H new ATOM 0 HH TYR A 54 3.230 -6.335 5.590 1.00 0.00 H new ATOM 893 N GLY A 55 1.988 -5.645 12.560 1.00 0.00 N ATOM 894 CA GLY A 55 2.212 -4.412 13.297 1.00 0.00 C ATOM 895 C GLY A 55 3.469 -3.655 12.879 1.00 0.00 C ATOM 896 O GLY A 55 3.377 -2.629 12.205 1.00 0.00 O ATOM 0 H GLY A 55 1.574 -5.525 11.636 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.348 -3.761 13.165 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.277 -4.644 14.360 1.00 0.00 H new ATOM 900 N PRO A 56 4.663 -4.123 13.290 1.00 0.00 N ATOM 901 CA PRO A 56 5.937 -3.456 12.975 1.00 0.00 C ATOM 902 C PRO A 56 6.111 -3.110 11.500 1.00 0.00 C ATOM 903 O PRO A 56 6.412 -1.968 11.160 1.00 0.00 O ATOM 904 CB PRO A 56 6.980 -4.488 13.396 1.00 0.00 C ATOM 905 CG PRO A 56 6.327 -5.239 14.498 1.00 0.00 C ATOM 906 CD PRO A 56 4.873 -5.324 14.123 1.00 0.00 C ATOM 0 HA PRO A 56 6.009 -2.495 13.484 1.00 0.00 H new ATOM 0 HB2 PRO A 56 7.245 -5.146 12.569 1.00 0.00 H new ATOM 0 HB3 PRO A 56 7.900 -4.010 13.731 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.762 -6.232 14.607 1.00 0.00 H new ATOM 0 HG3 PRO A 56 6.457 -4.727 15.452 1.00 0.00 H new ATOM 0 HD2 PRO A 56 4.653 -6.238 13.572 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.230 -5.320 15.003 1.00 0.00 H new ATOM 914 N GLU A 57 5.951 -4.095 10.628 1.00 0.00 N ATOM 915 CA GLU A 57 6.124 -3.868 9.198 1.00 0.00 C ATOM 916 C GLU A 57 4.871 -3.282 8.550 1.00 0.00 C ATOM 917 O GLU A 57 4.919 -2.810 7.414 1.00 0.00 O ATOM 918 CB GLU A 57 6.520 -5.163 8.491 1.00 0.00 C ATOM 919 CG GLU A 57 6.915 -4.957 7.039 1.00 0.00 C ATOM 920 CD GLU A 57 5.786 -5.262 6.075 1.00 0.00 C ATOM 921 OE1 GLU A 57 5.437 -6.452 5.925 1.00 0.00 O ATOM 922 OE2 GLU A 57 5.252 -4.311 5.468 1.00 0.00 O ATOM 0 H GLU A 57 5.704 -5.052 10.881 1.00 0.00 H new ATOM 0 HA GLU A 57 6.925 -3.137 9.088 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.352 -5.621 9.025 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.687 -5.864 8.538 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.239 -3.926 6.898 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.768 -5.594 6.805 1.00 0.00 H new ATOM 929 N ALA A 58 3.748 -3.328 9.259 1.00 0.00 N ATOM 930 CA ALA A 58 2.494 -2.813 8.728 1.00 0.00 C ATOM 931 C ALA A 58 2.282 -1.346 9.073 1.00 0.00 C ATOM 932 O ALA A 58 2.238 -0.497 8.188 1.00 0.00 O ATOM 933 CB ALA A 58 1.327 -3.651 9.230 1.00 0.00 C ATOM 0 H ALA A 58 3.682 -3.716 10.200 1.00 0.00 H new ATOM 0 HA ALA A 58 2.547 -2.883 7.642 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.395 -3.256 8.826 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.454 -4.684 8.905 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.295 -3.615 10.319 1.00 0.00 H new ATOM 939 N SER A 59 2.131 -1.056 10.360 1.00 0.00 N ATOM 940 CA SER A 59 1.902 0.313 10.811 1.00 0.00 C ATOM 941 C SER A 59 3.208 1.008 11.179 1.00 0.00 C ATOM 942 O SER A 59 3.414 2.177 10.849 1.00 0.00 O ATOM 943 CB SER A 59 0.954 0.318 12.012 1.00 0.00 C ATOM 944 OG SER A 59 0.640 1.642 12.409 1.00 0.00 O ATOM 0 H SER A 59 2.163 -1.748 11.109 1.00 0.00 H new ATOM 0 HA SER A 59 1.449 0.863 9.986 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.038 -0.216 11.758 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.414 -0.215 12.844 1.00 0.00 H new ATOM 0 HG SER A 59 0.032 1.618 13.177 1.00 0.00 H new ATOM 950 N ALA A 60 4.082 0.291 11.875 1.00 0.00 N ATOM 951 CA ALA A 60 5.360 0.849 12.299 1.00 0.00 C ATOM 952 C ALA A 60 6.293 1.097 11.116 1.00 0.00 C ATOM 953 O ALA A 60 7.131 1.998 11.162 1.00 0.00 O ATOM 954 CB ALA A 60 6.023 -0.068 13.316 1.00 0.00 C ATOM 0 H ALA A 60 3.929 -0.677 12.157 1.00 0.00 H new ATOM 0 HA ALA A 60 5.161 1.814 12.765 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.977 0.360 13.625 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.375 -0.175 14.186 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.193 -1.047 12.867 1.00 0.00 H new ATOM 960 N PHE A 61 6.157 0.297 10.061 1.00 0.00 N ATOM 961 CA PHE A 61 7.005 0.449 8.885 1.00 0.00 C ATOM 962 C PHE A 61 6.385 1.407 7.876 1.00 0.00 C ATOM 963 O PHE A 61 7.026 2.356 7.429 1.00 0.00 O ATOM 964 CB PHE A 61 7.237 -0.912 8.238 1.00 0.00 C ATOM 965 CG PHE A 61 8.542 -1.030 7.508 1.00 0.00 C ATOM 966 CD1 PHE A 61 9.740 -1.041 8.204 1.00 0.00 C ATOM 967 CD2 PHE A 61 8.570 -1.140 6.128 1.00 0.00 C ATOM 968 CE1 PHE A 61 10.944 -1.157 7.534 1.00 0.00 C ATOM 969 CE2 PHE A 61 9.769 -1.257 5.453 1.00 0.00 C ATOM 970 CZ PHE A 61 10.958 -1.265 6.157 1.00 0.00 C ATOM 0 H PHE A 61 5.473 -0.457 9.998 1.00 0.00 H new ATOM 0 HA PHE A 61 7.959 0.869 9.204 1.00 0.00 H new ATOM 0 HB2 PHE A 61 7.194 -1.681 9.009 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.424 -1.114 7.541 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.733 -0.958 9.281 1.00 0.00 H new ATOM 0 HD2 PHE A 61 7.643 -1.134 5.573 1.00 0.00 H new ATOM 0 HE1 PHE A 61 11.872 -1.163 8.086 1.00 0.00 H new ATOM 0 HE2 PHE A 61 9.777 -1.342 4.376 1.00 0.00 H new ATOM 0 HZ PHE A 61 11.897 -1.356 5.631 1.00 0.00 H new ATOM 980 N THR A 62 5.135 1.145 7.517 1.00 0.00 N ATOM 981 CA THR A 62 4.418 1.973 6.553 1.00 0.00 C ATOM 982 C THR A 62 4.474 3.456 6.931 1.00 0.00 C ATOM 983 O THR A 62 5.071 4.264 6.219 1.00 0.00 O ATOM 984 CB THR A 62 2.964 1.503 6.457 1.00 0.00 C ATOM 985 OG1 THR A 62 2.887 0.258 5.786 1.00 0.00 O ATOM 986 CG2 THR A 62 2.055 2.470 5.725 1.00 0.00 C ATOM 0 H THR A 62 4.593 0.361 7.881 1.00 0.00 H new ATOM 0 HA THR A 62 4.902 1.865 5.583 1.00 0.00 H new ATOM 0 HB THR A 62 2.623 1.427 7.489 1.00 0.00 H new ATOM 0 HG1 THR A 62 2.644 -0.444 6.425 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.042 2.068 5.698 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.051 3.429 6.243 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.417 2.610 4.706 1.00 0.00 H new ATOM 994 N LYS A 63 3.840 3.806 8.046 1.00 0.00 N ATOM 995 CA LYS A 63 3.809 5.192 8.509 1.00 0.00 C ATOM 996 C LYS A 63 5.216 5.759 8.693 1.00 0.00 C ATOM 997 O LYS A 63 5.442 6.952 8.487 1.00 0.00 O ATOM 998 CB LYS A 63 3.035 5.286 9.827 1.00 0.00 C ATOM 999 CG LYS A 63 2.984 6.690 10.410 1.00 0.00 C ATOM 1000 CD LYS A 63 4.150 6.943 11.351 1.00 0.00 C ATOM 1001 CE LYS A 63 3.865 8.103 12.291 1.00 0.00 C ATOM 1002 NZ LYS A 63 4.654 8.006 13.550 1.00 0.00 N ATOM 0 H LYS A 63 3.340 3.150 8.647 1.00 0.00 H new ATOM 0 HA LYS A 63 3.307 5.785 7.745 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.017 4.932 9.666 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.493 4.617 10.555 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.001 7.422 9.602 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.045 6.829 10.946 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.352 6.043 11.932 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.048 7.156 10.771 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.097 9.042 11.789 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.802 8.124 12.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.430 8.816 14.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.414 7.122 14.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.669 8.012 13.325 1.00 0.00 H new ATOM 1016 N LYS A 64 6.152 4.907 9.092 1.00 0.00 N ATOM 1017 CA LYS A 64 7.530 5.337 9.316 1.00 0.00 C ATOM 1018 C LYS A 64 8.259 5.600 8.000 1.00 0.00 C ATOM 1019 O LYS A 64 8.818 6.678 7.794 1.00 0.00 O ATOM 1020 CB LYS A 64 8.284 4.283 10.128 1.00 0.00 C ATOM 1021 CG LYS A 64 9.713 4.678 10.462 1.00 0.00 C ATOM 1022 CD LYS A 64 10.697 4.116 9.449 1.00 0.00 C ATOM 1023 CE LYS A 64 11.359 2.847 9.961 1.00 0.00 C ATOM 1024 NZ LYS A 64 11.802 1.963 8.849 1.00 0.00 N ATOM 0 H LYS A 64 5.985 3.916 9.267 1.00 0.00 H new ATOM 0 HA LYS A 64 7.499 6.273 9.874 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.742 4.095 11.055 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.296 3.347 9.570 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.795 5.765 10.486 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.968 4.317 11.458 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.178 3.905 8.514 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.460 4.862 9.229 1.00 0.00 H new ATOM 0 HE2 LYS A 64 12.217 3.110 10.579 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.660 2.305 10.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.193 1.120 8.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.735 2.478 7.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.787 1.671 9.009 1.00 0.00 H new ATOM 1038 N MET A 65 8.262 4.606 7.116 1.00 0.00 N ATOM 1039 CA MET A 65 8.935 4.726 5.824 1.00 0.00 C ATOM 1040 C MET A 65 8.512 5.992 5.079 1.00 0.00 C ATOM 1041 O MET A 65 9.267 6.522 4.264 1.00 0.00 O ATOM 1042 CB MET A 65 8.651 3.492 4.961 1.00 0.00 C ATOM 1043 CG MET A 65 9.905 2.737 4.555 1.00 0.00 C ATOM 1044 SD MET A 65 9.791 2.043 2.894 1.00 0.00 S ATOM 1045 CE MET A 65 11.218 0.962 2.882 1.00 0.00 C ATOM 0 H MET A 65 7.806 3.707 7.270 1.00 0.00 H new ATOM 0 HA MET A 65 10.006 4.795 6.017 1.00 0.00 H new ATOM 0 HB2 MET A 65 7.992 2.819 5.509 1.00 0.00 H new ATOM 0 HB3 MET A 65 8.116 3.801 4.063 1.00 0.00 H new ATOM 0 HG2 MET A 65 10.762 3.409 4.606 1.00 0.00 H new ATOM 0 HG3 MET A 65 10.088 1.934 5.269 1.00 0.00 H new ATOM 0 HE1 MET A 65 10.970 0.038 2.359 1.00 0.00 H new ATOM 0 HE2 MET A 65 12.045 1.457 2.373 1.00 0.00 H new ATOM 0 HE3 MET A 65 11.509 0.732 3.907 1.00 0.00 H new ATOM 1055 N VAL A 66 7.303 6.469 5.356 1.00 0.00 N ATOM 1056 CA VAL A 66 6.790 7.669 4.702 1.00 0.00 C ATOM 1057 C VAL A 66 6.946 8.909 5.583 1.00 0.00 C ATOM 1058 O VAL A 66 6.730 10.032 5.128 1.00 0.00 O ATOM 1059 CB VAL A 66 5.305 7.510 4.319 1.00 0.00 C ATOM 1060 CG1 VAL A 66 5.123 6.347 3.354 1.00 0.00 C ATOM 1061 CG2 VAL A 66 4.446 7.319 5.561 1.00 0.00 C ATOM 0 H VAL A 66 6.662 6.045 6.026 1.00 0.00 H new ATOM 0 HA VAL A 66 7.384 7.802 3.798 1.00 0.00 H new ATOM 0 HB VAL A 66 4.981 8.423 3.819 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.069 6.251 3.095 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.703 6.530 2.450 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.467 5.426 3.825 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.402 7.209 5.268 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.770 6.425 6.093 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.550 8.187 6.212 1.00 0.00 H new ATOM 1071 N GLU A 67 7.314 8.702 6.844 1.00 0.00 N ATOM 1072 CA GLU A 67 7.489 9.809 7.779 1.00 0.00 C ATOM 1073 C GLU A 67 8.891 10.406 7.676 1.00 0.00 C ATOM 1074 O GLU A 67 9.097 11.581 7.980 1.00 0.00 O ATOM 1075 CB GLU A 67 7.225 9.337 9.212 1.00 0.00 C ATOM 1076 CG GLU A 67 5.940 9.888 9.809 1.00 0.00 C ATOM 1077 CD GLU A 67 6.194 10.931 10.879 1.00 0.00 C ATOM 1078 OE1 GLU A 67 7.250 11.595 10.823 1.00 0.00 O ATOM 1079 OE2 GLU A 67 5.336 11.085 11.775 1.00 0.00 O ATOM 0 H GLU A 67 7.496 7.780 7.241 1.00 0.00 H new ATOM 0 HA GLU A 67 6.770 10.585 7.518 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.184 8.248 9.225 1.00 0.00 H new ATOM 0 HB3 GLU A 67 8.064 9.631 9.843 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.334 10.327 9.016 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.362 9.069 10.236 1.00 0.00 H new ATOM 1086 N ASN A 68 9.853 9.591 7.252 1.00 0.00 N ATOM 1087 CA ASN A 68 11.233 10.046 7.119 1.00 0.00 C ATOM 1088 C ASN A 68 11.597 10.296 5.659 1.00 0.00 C ATOM 1089 O ASN A 68 12.460 11.120 5.358 1.00 0.00 O ATOM 1090 CB ASN A 68 12.191 9.017 7.723 1.00 0.00 C ATOM 1091 CG ASN A 68 12.123 7.677 7.016 1.00 0.00 C ATOM 1092 OD1 ASN A 68 12.242 7.601 5.793 1.00 0.00 O ATOM 1093 ND2 ASN A 68 11.931 6.613 7.785 1.00 0.00 N ATOM 0 H ASN A 68 9.703 8.615 6.995 1.00 0.00 H new ATOM 0 HA ASN A 68 11.326 10.988 7.660 1.00 0.00 H new ATOM 0 HB2 ASN A 68 13.210 9.400 7.672 1.00 0.00 H new ATOM 0 HB3 ASN A 68 11.954 8.880 8.778 1.00 0.00 H new ATOM 0 HD21 ASN A 68 11.877 5.684 7.366 1.00 0.00 H new ATOM 0 HD22 ASN A 68 11.838 6.724 8.795 1.00 0.00 H new ATOM 1100 N ALA A 69 10.939 9.577 4.755 1.00 0.00 N ATOM 1101 CA ALA A 69 11.203 9.724 3.329 1.00 0.00 C ATOM 1102 C ALA A 69 10.239 10.714 2.687 1.00 0.00 C ATOM 1103 O ALA A 69 9.033 10.666 2.925 1.00 0.00 O ATOM 1104 CB ALA A 69 11.114 8.372 2.636 1.00 0.00 C ATOM 0 H ALA A 69 10.222 8.889 4.984 1.00 0.00 H new ATOM 0 HA ALA A 69 12.213 10.117 3.211 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.313 8.495 1.571 1.00 0.00 H new ATOM 0 HB2 ALA A 69 11.850 7.693 3.067 1.00 0.00 H new ATOM 0 HB3 ALA A 69 10.115 7.958 2.773 1.00 0.00 H new ATOM 1110 N LYS A 70 10.781 11.611 1.867 1.00 0.00 N ATOM 1111 CA LYS A 70 9.969 12.611 1.185 1.00 0.00 C ATOM 1112 C LYS A 70 9.618 12.153 -0.229 1.00 0.00 C ATOM 1113 O LYS A 70 9.425 12.973 -1.127 1.00 0.00 O ATOM 1114 CB LYS A 70 10.710 13.949 1.129 1.00 0.00 C ATOM 1115 CG LYS A 70 10.512 14.807 2.369 1.00 0.00 C ATOM 1116 CD LYS A 70 11.167 16.171 2.213 1.00 0.00 C ATOM 1117 CE LYS A 70 12.560 16.194 2.820 1.00 0.00 C ATOM 1118 NZ LYS A 70 12.962 17.566 3.239 1.00 0.00 N ATOM 0 H LYS A 70 11.778 11.665 1.660 1.00 0.00 H new ATOM 0 HA LYS A 70 9.045 12.738 1.748 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.775 13.760 0.995 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.372 14.505 0.255 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.446 14.934 2.559 1.00 0.00 H new ATOM 0 HG3 LYS A 70 10.932 14.297 3.236 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.226 16.428 1.155 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.548 16.930 2.692 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.591 15.528 3.682 1.00 0.00 H new ATOM 0 HE3 LYS A 70 13.278 15.811 2.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 13.918 17.538 3.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.957 18.197 2.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.292 17.922 3.950 1.00 0.00 H new ATOM 1132 N LYS A 71 9.539 10.839 -0.419 1.00 0.00 N ATOM 1133 CA LYS A 71 9.214 10.273 -1.724 1.00 0.00 C ATOM 1134 C LYS A 71 8.250 9.100 -1.583 1.00 0.00 C ATOM 1135 O LYS A 71 8.658 7.981 -1.278 1.00 0.00 O ATOM 1136 CB LYS A 71 10.484 9.812 -2.449 1.00 0.00 C ATOM 1137 CG LYS A 71 11.559 9.253 -1.528 1.00 0.00 C ATOM 1138 CD LYS A 71 12.951 9.478 -2.098 1.00 0.00 C ATOM 1139 CE LYS A 71 13.381 10.931 -1.969 1.00 0.00 C ATOM 1140 NZ LYS A 71 14.401 11.117 -0.901 1.00 0.00 N ATOM 0 H LYS A 71 9.696 10.147 0.314 1.00 0.00 H new ATOM 0 HA LYS A 71 8.734 11.055 -2.313 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.215 9.050 -3.180 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.898 10.654 -3.004 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.484 9.727 -0.549 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.393 8.186 -1.379 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.665 8.839 -1.578 1.00 0.00 H new ATOM 0 HD3 LYS A 71 12.967 9.185 -3.148 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.785 11.275 -2.921 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.510 11.549 -1.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.667 12.121 -0.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.007 10.813 0.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 15.243 10.548 -1.122 1.00 0.00 H new ATOM 1154 N ILE A 72 6.967 9.363 -1.813 1.00 0.00 N ATOM 1155 CA ILE A 72 5.948 8.327 -1.714 1.00 0.00 C ATOM 1156 C ILE A 72 5.060 8.312 -2.952 1.00 0.00 C ATOM 1157 O ILE A 72 4.045 9.005 -3.007 1.00 0.00 O ATOM 1158 CB ILE A 72 5.065 8.519 -0.466 1.00 0.00 C ATOM 1159 CG1 ILE A 72 5.935 8.686 0.783 1.00 0.00 C ATOM 1160 CG2 ILE A 72 4.112 7.342 -0.305 1.00 0.00 C ATOM 1161 CD1 ILE A 72 5.815 10.051 1.424 1.00 0.00 C ATOM 0 H ILE A 72 6.610 10.284 -2.069 1.00 0.00 H new ATOM 0 HA ILE A 72 6.474 7.376 -1.633 1.00 0.00 H new ATOM 0 HB ILE A 72 4.473 9.425 -0.594 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.659 7.925 1.513 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.977 8.509 0.517 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.495 7.492 0.581 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.472 7.269 -1.185 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.686 6.422 -0.196 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.458 10.098 2.303 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.119 10.816 0.710 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.781 10.223 1.722 1.00 0.00 H new ATOM 1173 N GLU A 73 5.442 7.510 -3.939 1.00 0.00 N ATOM 1174 CA GLU A 73 4.670 7.401 -5.170 1.00 0.00 C ATOM 1175 C GLU A 73 3.802 6.149 -5.140 1.00 0.00 C ATOM 1176 O GLU A 73 4.191 5.127 -4.576 1.00 0.00 O ATOM 1177 CB GLU A 73 5.599 7.374 -6.385 1.00 0.00 C ATOM 1178 CG GLU A 73 5.457 8.590 -7.285 1.00 0.00 C ATOM 1179 CD GLU A 73 6.795 9.115 -7.771 1.00 0.00 C ATOM 1180 OE1 GLU A 73 7.791 8.367 -7.693 1.00 0.00 O ATOM 1181 OE2 GLU A 73 6.846 10.277 -8.228 1.00 0.00 O ATOM 0 H GLU A 73 6.279 6.928 -3.911 1.00 0.00 H new ATOM 0 HA GLU A 73 4.022 8.274 -5.250 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.631 7.305 -6.041 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.396 6.475 -6.967 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.838 8.331 -8.144 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.936 9.380 -6.743 1.00 0.00 H new ATOM 1188 N VAL A 74 2.617 6.235 -5.737 1.00 0.00 N ATOM 1189 CA VAL A 74 1.700 5.104 -5.756 1.00 0.00 C ATOM 1190 C VAL A 74 1.376 4.657 -7.176 1.00 0.00 C ATOM 1191 O VAL A 74 0.977 5.457 -8.022 1.00 0.00 O ATOM 1192 CB VAL A 74 0.389 5.431 -5.015 1.00 0.00 C ATOM 1193 CG1 VAL A 74 -0.369 6.551 -5.712 1.00 0.00 C ATOM 1194 CG2 VAL A 74 -0.478 4.188 -4.894 1.00 0.00 C ATOM 0 H VAL A 74 2.272 7.070 -6.210 1.00 0.00 H new ATOM 0 HA VAL A 74 2.209 4.288 -5.242 1.00 0.00 H new ATOM 0 HB VAL A 74 0.643 5.774 -4.012 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.290 6.761 -5.168 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.250 7.448 -5.738 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.611 6.248 -6.731 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.400 4.437 -4.368 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.718 3.813 -5.889 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.061 3.421 -4.338 1.00 0.00 H new ATOM 1204 N GLU A 75 1.535 3.362 -7.422 1.00 0.00 N ATOM 1205 CA GLU A 75 1.246 2.786 -8.728 1.00 0.00 C ATOM 1206 C GLU A 75 -0.207 2.326 -8.789 1.00 0.00 C ATOM 1207 O GLU A 75 -0.501 1.209 -9.217 1.00 0.00 O ATOM 1208 CB GLU A 75 2.184 1.608 -9.005 1.00 0.00 C ATOM 1209 CG GLU A 75 2.660 1.535 -10.446 1.00 0.00 C ATOM 1210 CD GLU A 75 4.113 1.941 -10.600 1.00 0.00 C ATOM 1211 OE1 GLU A 75 4.996 1.100 -10.335 1.00 0.00 O ATOM 1212 OE2 GLU A 75 4.366 3.101 -10.989 1.00 0.00 O ATOM 0 H GLU A 75 1.864 2.689 -6.730 1.00 0.00 H new ATOM 0 HA GLU A 75 1.406 3.548 -9.491 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.051 1.682 -8.348 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.672 0.679 -8.753 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.529 0.519 -10.817 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.038 2.183 -11.064 1.00 0.00 H new ATOM 1219 N PHE A 76 -1.111 3.190 -8.338 1.00 0.00 N ATOM 1220 CA PHE A 76 -2.531 2.874 -8.317 1.00 0.00 C ATOM 1221 C PHE A 76 -3.236 3.350 -9.591 1.00 0.00 C ATOM 1222 O PHE A 76 -2.849 4.353 -10.191 1.00 0.00 O ATOM 1223 CB PHE A 76 -3.162 3.490 -7.063 1.00 0.00 C ATOM 1224 CG PHE A 76 -3.928 4.761 -7.296 1.00 0.00 C ATOM 1225 CD1 PHE A 76 -3.306 5.870 -7.841 1.00 0.00 C ATOM 1226 CD2 PHE A 76 -5.266 4.846 -6.955 1.00 0.00 C ATOM 1227 CE1 PHE A 76 -4.006 7.043 -8.044 1.00 0.00 C ATOM 1228 CE2 PHE A 76 -5.972 6.014 -7.154 1.00 0.00 C ATOM 1229 CZ PHE A 76 -5.342 7.116 -7.699 1.00 0.00 C ATOM 0 H PHE A 76 -0.882 4.118 -7.981 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.652 1.791 -8.284 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.832 2.757 -6.614 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -2.373 3.687 -6.337 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.262 5.818 -8.111 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -5.764 3.988 -6.528 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.510 7.902 -8.472 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -7.016 6.067 -6.884 1.00 0.00 H new ATOM 0 HZ PHE A 76 -5.892 8.032 -7.855 1.00 0.00 H new ATOM 1239 N ASP A 77 -4.268 2.610 -10.000 1.00 0.00 N ATOM 1240 CA ASP A 77 -5.029 2.933 -11.206 1.00 0.00 C ATOM 1241 C ASP A 77 -5.994 4.095 -10.974 1.00 0.00 C ATOM 1242 O ASP A 77 -6.361 4.395 -9.838 1.00 0.00 O ATOM 1243 CB ASP A 77 -5.810 1.705 -11.682 1.00 0.00 C ATOM 1244 CG ASP A 77 -6.248 1.826 -13.128 1.00 0.00 C ATOM 1245 OD1 ASP A 77 -5.494 2.414 -13.930 1.00 0.00 O ATOM 1246 OD2 ASP A 77 -7.346 1.329 -13.458 1.00 0.00 O ATOM 0 H ASP A 77 -4.597 1.778 -9.510 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.315 3.235 -11.972 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.190 0.816 -11.566 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -6.687 1.567 -11.049 1.00 0.00 H new ATOM 1251 N LYS A 78 -6.402 4.738 -12.067 1.00 0.00 N ATOM 1252 CA LYS A 78 -7.329 5.864 -11.997 1.00 0.00 C ATOM 1253 C LYS A 78 -8.749 5.428 -12.364 1.00 0.00 C ATOM 1254 O LYS A 78 -9.506 6.183 -12.972 1.00 0.00 O ATOM 1255 CB LYS A 78 -6.864 6.988 -12.925 1.00 0.00 C ATOM 1256 CG LYS A 78 -6.268 8.176 -12.186 1.00 0.00 C ATOM 1257 CD LYS A 78 -7.126 9.422 -12.343 1.00 0.00 C ATOM 1258 CE LYS A 78 -8.154 9.534 -11.228 1.00 0.00 C ATOM 1259 NZ LYS A 78 -8.452 10.952 -10.889 1.00 0.00 N ATOM 0 H LYS A 78 -6.104 4.497 -13.012 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.341 6.233 -10.971 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.122 6.592 -13.619 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.710 7.329 -13.522 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.168 7.934 -11.128 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.265 8.374 -12.564 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.489 10.306 -12.342 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.634 9.396 -13.307 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.073 9.032 -11.530 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.786 9.018 -10.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.157 10.986 -10.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.580 11.425 -10.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.828 11.438 -11.728 1.00 0.00 H new ATOM 1273 N GLY A 79 -9.101 4.205 -11.982 1.00 0.00 N ATOM 1274 CA GLY A 79 -10.420 3.676 -12.261 1.00 0.00 C ATOM 1275 C GLY A 79 -10.689 2.471 -11.417 1.00 0.00 C ATOM 1276 O GLY A 79 -11.248 1.480 -11.883 1.00 0.00 O ATOM 0 H GLY A 79 -8.487 3.565 -11.478 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -11.173 4.439 -12.066 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.498 3.413 -13.316 1.00 0.00 H new ATOM 1280 N GLN A 80 -10.256 2.545 -10.176 1.00 0.00 N ATOM 1281 CA GLN A 80 -10.419 1.439 -9.274 1.00 0.00 C ATOM 1282 C GLN A 80 -11.824 1.357 -8.733 1.00 0.00 C ATOM 1283 O GLN A 80 -12.456 2.356 -8.390 1.00 0.00 O ATOM 1284 CB GLN A 80 -9.421 1.516 -8.125 1.00 0.00 C ATOM 1285 CG GLN A 80 -8.324 0.468 -8.197 1.00 0.00 C ATOM 1286 CD GLN A 80 -8.784 -0.864 -8.764 1.00 0.00 C ATOM 1287 OE1 GLN A 80 -9.346 -1.697 -8.052 1.00 0.00 O ATOM 1288 NE2 GLN A 80 -8.544 -1.070 -10.055 1.00 0.00 N ATOM 0 H GLN A 80 -9.791 3.359 -9.775 1.00 0.00 H new ATOM 0 HA GLN A 80 -10.226 0.533 -9.848 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -8.965 2.506 -8.117 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.957 1.404 -7.182 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -7.508 0.851 -8.810 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -7.922 0.307 -7.197 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.075 -0.352 -10.608 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -8.828 -1.946 -10.493 1.00 0.00 H new ATOM 1297 N ARG A 81 -12.281 0.132 -8.671 1.00 0.00 N ATOM 1298 CA ARG A 81 -13.616 -0.187 -8.175 1.00 0.00 C ATOM 1299 C ARG A 81 -13.729 0.139 -6.688 1.00 0.00 C ATOM 1300 O ARG A 81 -13.818 -0.757 -5.848 1.00 0.00 O ATOM 1301 CB ARG A 81 -13.932 -1.666 -8.416 1.00 0.00 C ATOM 1302 CG ARG A 81 -14.905 -1.904 -9.559 1.00 0.00 C ATOM 1303 CD ARG A 81 -15.561 -3.274 -9.459 1.00 0.00 C ATOM 1304 NE ARG A 81 -15.259 -4.112 -10.617 1.00 0.00 N ATOM 1305 CZ ARG A 81 -15.891 -4.018 -11.786 1.00 0.00 C ATOM 1306 NH1 ARG A 81 -16.863 -3.130 -11.955 1.00 0.00 N ATOM 1307 NH2 ARG A 81 -15.552 -4.817 -12.789 1.00 0.00 N ATOM 0 H ARG A 81 -11.742 -0.684 -8.962 1.00 0.00 H new ATOM 0 HA ARG A 81 -14.339 0.421 -8.719 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -13.003 -2.198 -8.624 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -14.346 -2.093 -7.503 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -15.673 -1.131 -9.551 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -14.378 -1.820 -10.510 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -15.221 -3.773 -8.552 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -16.641 -3.153 -9.371 1.00 0.00 H new ATOM 0 HE ARG A 81 -14.521 -4.810 -10.525 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -17.130 -2.514 -11.187 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -17.343 -3.063 -12.853 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -14.808 -5.503 -12.665 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -16.036 -4.745 -13.684 1.00 0.00 H new ATOM 1321 N THR A 82 -13.719 1.427 -6.371 1.00 0.00 N ATOM 1322 CA THR A 82 -13.816 1.874 -4.986 1.00 0.00 C ATOM 1323 C THR A 82 -15.271 2.106 -4.589 1.00 0.00 C ATOM 1324 O THR A 82 -16.151 2.191 -5.445 1.00 0.00 O ATOM 1325 CB THR A 82 -13.007 3.157 -4.787 1.00 0.00 C ATOM 1326 OG1 THR A 82 -12.645 3.724 -6.035 1.00 0.00 O ATOM 1327 CG2 THR A 82 -11.737 2.942 -3.997 1.00 0.00 C ATOM 0 H THR A 82 -13.645 2.181 -7.054 1.00 0.00 H new ATOM 0 HA THR A 82 -13.407 1.092 -4.347 1.00 0.00 H new ATOM 0 HB THR A 82 -13.660 3.826 -4.226 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.259 4.613 -5.891 1.00 0.00 H new ATOM 0 HG21 THR A 82 -11.209 3.890 -3.891 1.00 0.00 H new ATOM 0 HG22 THR A 82 -11.984 2.552 -3.010 1.00 0.00 H new ATOM 0 HG23 THR A 82 -11.100 2.229 -4.520 1.00 0.00 H new ATOM 1335 N ASP A 83 -15.515 2.211 -3.287 1.00 0.00 N ATOM 1336 CA ASP A 83 -16.864 2.437 -2.778 1.00 0.00 C ATOM 1337 C ASP A 83 -17.159 3.932 -2.680 1.00 0.00 C ATOM 1338 O ASP A 83 -18.241 4.389 -3.050 1.00 0.00 O ATOM 1339 CB ASP A 83 -17.032 1.777 -1.407 1.00 0.00 C ATOM 1340 CG ASP A 83 -18.173 0.779 -1.381 1.00 0.00 C ATOM 1341 OD1 ASP A 83 -17.975 -0.362 -1.846 1.00 0.00 O ATOM 1342 OD2 ASP A 83 -19.266 1.140 -0.895 1.00 0.00 O ATOM 0 H ASP A 83 -14.797 2.143 -2.565 1.00 0.00 H new ATOM 0 HA ASP A 83 -17.572 1.989 -3.475 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -16.105 1.272 -1.134 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -17.209 2.547 -0.656 1.00 0.00 H new ATOM 1347 N LYS A 84 -16.185 4.686 -2.183 1.00 0.00 N ATOM 1348 CA LYS A 84 -16.328 6.130 -2.035 1.00 0.00 C ATOM 1349 C LYS A 84 -14.999 6.759 -1.629 1.00 0.00 C ATOM 1350 O LYS A 84 -14.462 7.612 -2.335 1.00 0.00 O ATOM 1351 CB LYS A 84 -17.401 6.456 -0.993 1.00 0.00 C ATOM 1352 CG LYS A 84 -18.793 6.630 -1.583 1.00 0.00 C ATOM 1353 CD LYS A 84 -19.478 7.880 -1.046 1.00 0.00 C ATOM 1354 CE LYS A 84 -20.854 7.563 -0.480 1.00 0.00 C ATOM 1355 NZ LYS A 84 -21.724 6.884 -1.479 1.00 0.00 N ATOM 0 H LYS A 84 -15.284 4.320 -1.875 1.00 0.00 H new ATOM 0 HA LYS A 84 -16.633 6.544 -2.996 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -17.428 5.659 -0.250 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -17.121 7.370 -0.470 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -18.723 6.691 -2.669 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -19.399 5.754 -1.351 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -18.859 8.330 -0.270 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -19.573 8.616 -1.845 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -20.747 6.928 0.399 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -21.332 8.485 -0.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -22.721 7.086 -1.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -21.497 7.234 -2.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -21.562 5.857 -1.439 1.00 0.00 H new ATOM 1369 N TYR A 85 -14.470 6.310 -0.496 1.00 0.00 N ATOM 1370 CA TYR A 85 -13.190 6.800 0.016 1.00 0.00 C ATOM 1371 C TYR A 85 -12.625 5.856 1.070 1.00 0.00 C ATOM 1372 O TYR A 85 -11.470 6.000 1.471 1.00 0.00 O ATOM 1373 CB TYR A 85 -13.309 8.207 0.617 1.00 0.00 C ATOM 1374 CG TYR A 85 -14.028 9.201 -0.265 1.00 0.00 C ATOM 1375 CD1 TYR A 85 -13.341 9.928 -1.229 1.00 0.00 C ATOM 1376 CD2 TYR A 85 -15.395 9.413 -0.135 1.00 0.00 C ATOM 1377 CE1 TYR A 85 -13.994 10.837 -2.037 1.00 0.00 C ATOM 1378 CE2 TYR A 85 -16.057 10.321 -0.941 1.00 0.00 C ATOM 1379 CZ TYR A 85 -15.351 11.030 -1.889 1.00 0.00 C ATOM 1380 OH TYR A 85 -16.006 11.935 -2.694 1.00 0.00 O ATOM 0 H TYR A 85 -14.910 5.602 0.091 1.00 0.00 H new ATOM 0 HA TYR A 85 -12.513 6.844 -0.837 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -13.833 8.139 1.570 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -12.309 8.584 0.829 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -12.278 9.780 -1.348 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -15.950 8.859 0.608 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -13.445 11.394 -2.781 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -17.120 10.474 -0.828 1.00 0.00 H new ATOM 0 HH TYR A 85 -16.958 11.950 -2.462 1.00 0.00 H new ATOM 1390 N GLY A 86 -13.434 4.879 1.516 1.00 0.00 N ATOM 1391 CA GLY A 86 -12.968 3.927 2.509 1.00 0.00 C ATOM 1392 C GLY A 86 -11.532 3.538 2.256 1.00 0.00 C ATOM 1393 O GLY A 86 -10.757 3.337 3.190 1.00 0.00 O ATOM 0 H GLY A 86 -14.395 4.738 1.204 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -13.061 4.361 3.505 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -13.598 3.038 2.489 1.00 0.00 H new ATOM 1397 N ARG A 87 -11.183 3.476 0.969 1.00 0.00 N ATOM 1398 CA ARG A 87 -9.833 3.161 0.531 1.00 0.00 C ATOM 1399 C ARG A 87 -9.809 2.749 -0.939 1.00 0.00 C ATOM 1400 O ARG A 87 -10.833 2.402 -1.526 1.00 0.00 O ATOM 1401 CB ARG A 87 -9.185 2.086 1.404 1.00 0.00 C ATOM 1402 CG ARG A 87 -10.068 0.890 1.628 1.00 0.00 C ATOM 1403 CD ARG A 87 -10.114 0.029 0.392 1.00 0.00 C ATOM 1404 NE ARG A 87 -11.489 -0.321 0.031 1.00 0.00 N ATOM 1405 CZ ARG A 87 -11.879 -1.533 -0.360 1.00 0.00 C ATOM 1406 NH1 ARG A 87 -11.002 -2.525 -0.461 1.00 0.00 N ATOM 1407 NH2 ARG A 87 -13.153 -1.754 -0.657 1.00 0.00 N ATOM 0 H ARG A 87 -11.835 3.644 0.203 1.00 0.00 H new ATOM 0 HA ARG A 87 -9.244 4.072 0.640 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -8.255 1.760 0.937 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -8.922 2.521 2.368 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -9.695 0.308 2.470 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -11.075 1.217 1.888 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -9.642 0.556 -0.437 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -9.538 -0.881 0.560 1.00 0.00 H new ATOM 0 HE ARG A 87 -12.196 0.413 0.082 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -10.020 -2.362 -0.238 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -11.310 -3.450 -0.761 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -13.832 -0.996 -0.586 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -13.453 -2.682 -0.957 1.00 0.00 H new ATOM 1421 N TRP A 88 -8.622 2.824 -1.513 1.00 0.00 N ATOM 1422 CA TRP A 88 -8.380 2.504 -2.916 1.00 0.00 C ATOM 1423 C TRP A 88 -7.257 1.480 -3.062 1.00 0.00 C ATOM 1424 O TRP A 88 -6.561 1.180 -2.100 1.00 0.00 O ATOM 1425 CB TRP A 88 -7.937 3.777 -3.633 1.00 0.00 C ATOM 1426 CG TRP A 88 -9.053 4.641 -4.119 1.00 0.00 C ATOM 1427 CD1 TRP A 88 -9.923 5.371 -3.363 1.00 0.00 C ATOM 1428 CD2 TRP A 88 -9.400 4.879 -5.479 1.00 0.00 C ATOM 1429 NE1 TRP A 88 -10.799 6.046 -4.177 1.00 0.00 N ATOM 1430 CE2 TRP A 88 -10.497 5.758 -5.487 1.00 0.00 C ATOM 1431 CE3 TRP A 88 -8.884 4.427 -6.693 1.00 0.00 C ATOM 1432 CZ2 TRP A 88 -11.088 6.195 -6.670 1.00 0.00 C ATOM 1433 CZ3 TRP A 88 -9.466 4.857 -7.865 1.00 0.00 C ATOM 1434 CH2 TRP A 88 -10.560 5.735 -7.850 1.00 0.00 C ATOM 0 H TRP A 88 -7.782 3.114 -1.012 1.00 0.00 H new ATOM 0 HA TRP A 88 -9.298 2.096 -3.339 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -7.313 4.360 -2.956 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -7.313 3.500 -4.483 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -9.923 5.412 -2.284 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -11.550 6.660 -3.862 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -8.042 3.751 -6.714 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -11.930 6.871 -6.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -9.074 4.513 -8.811 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -10.995 6.055 -8.785 1.00 0.00 H new ATOM 1445 N LEU A 89 -7.036 0.987 -4.280 1.00 0.00 N ATOM 1446 CA LEU A 89 -5.932 0.053 -4.506 1.00 0.00 C ATOM 1447 C LEU A 89 -4.626 0.846 -4.546 1.00 0.00 C ATOM 1448 O LEU A 89 -4.658 2.062 -4.723 1.00 0.00 O ATOM 1449 CB LEU A 89 -6.131 -0.724 -5.816 1.00 0.00 C ATOM 1450 CG LEU A 89 -5.544 -0.088 -7.092 1.00 0.00 C ATOM 1451 CD1 LEU A 89 -5.821 1.409 -7.150 1.00 0.00 C ATOM 1452 CD2 LEU A 89 -4.049 -0.355 -7.183 1.00 0.00 C ATOM 0 H LEU A 89 -7.590 1.211 -5.107 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.899 -0.675 -3.696 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.691 -1.714 -5.695 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.201 -0.867 -5.968 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.036 -0.551 -7.947 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -5.393 1.823 -8.063 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.897 1.580 -7.144 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.371 1.896 -6.285 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.652 0.101 -8.090 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.550 0.072 -6.313 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.872 -1.430 -7.211 1.00 0.00 H new ATOM 1464 N ALA A 90 -3.480 0.188 -4.375 1.00 0.00 N ATOM 1465 CA ALA A 90 -2.210 0.916 -4.398 1.00 0.00 C ATOM 1466 C ALA A 90 -0.996 0.015 -4.195 1.00 0.00 C ATOM 1467 O ALA A 90 -1.116 -1.197 -4.020 1.00 0.00 O ATOM 1468 CB ALA A 90 -2.219 2.006 -3.339 1.00 0.00 C ATOM 0 H ALA A 90 -3.402 -0.818 -4.223 1.00 0.00 H new ATOM 0 HA ALA A 90 -2.119 1.352 -5.393 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -1.271 2.543 -3.362 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.035 2.701 -3.539 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.358 1.557 -2.356 1.00 0.00 H new ATOM 1474 N TYR A 91 0.176 0.646 -4.216 1.00 0.00 N ATOM 1475 CA TYR A 91 1.450 -0.041 -4.031 1.00 0.00 C ATOM 1476 C TYR A 91 2.488 0.942 -3.490 1.00 0.00 C ATOM 1477 O TYR A 91 3.650 0.928 -3.896 1.00 0.00 O ATOM 1478 CB TYR A 91 1.933 -0.633 -5.357 1.00 0.00 C ATOM 1479 CG TYR A 91 1.219 -1.904 -5.759 1.00 0.00 C ATOM 1480 CD1 TYR A 91 -0.009 -1.860 -6.411 1.00 0.00 C ATOM 1481 CD2 TYR A 91 1.774 -3.149 -5.489 1.00 0.00 C ATOM 1482 CE1 TYR A 91 -0.662 -3.021 -6.781 1.00 0.00 C ATOM 1483 CE2 TYR A 91 1.127 -4.313 -5.859 1.00 0.00 C ATOM 1484 CZ TYR A 91 -0.090 -4.244 -6.503 1.00 0.00 C ATOM 1485 OH TYR A 91 -0.735 -5.402 -6.873 1.00 0.00 O ATOM 0 H TYR A 91 0.268 1.651 -4.362 1.00 0.00 H new ATOM 0 HA TYR A 91 1.314 -0.853 -3.317 1.00 0.00 H new ATOM 0 HB2 TYR A 91 1.802 0.110 -6.144 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.002 -0.836 -5.285 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -0.459 -0.904 -6.632 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.726 -3.208 -4.982 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -1.616 -2.970 -7.285 1.00 0.00 H new ATOM 0 HE2 TYR A 91 1.573 -5.273 -5.644 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.197 -6.176 -6.605 1.00 0.00 H new ATOM 1495 N ILE A 92 2.038 1.808 -2.583 1.00 0.00 N ATOM 1496 CA ILE A 92 2.887 2.837 -1.973 1.00 0.00 C ATOM 1497 C ILE A 92 4.305 2.352 -1.693 1.00 0.00 C ATOM 1498 O ILE A 92 4.521 1.205 -1.301 1.00 0.00 O ATOM 1499 CB ILE A 92 2.280 3.347 -0.651 1.00 0.00 C ATOM 1500 CG1 ILE A 92 0.804 3.698 -0.840 1.00 0.00 C ATOM 1501 CG2 ILE A 92 3.058 4.552 -0.136 1.00 0.00 C ATOM 1502 CD1 ILE A 92 -0.140 2.676 -0.246 1.00 0.00 C ATOM 0 H ILE A 92 1.074 1.818 -2.249 1.00 0.00 H new ATOM 0 HA ILE A 92 2.937 3.643 -2.705 1.00 0.00 H new ATOM 0 HB ILE A 92 2.351 2.552 0.091 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.609 4.669 -0.385 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.596 3.797 -1.905 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.616 4.899 0.798 1.00 0.00 H new ATOM 0 HG22 ILE A 92 4.096 4.268 0.038 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.020 5.353 -0.875 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.170 2.989 -0.417 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.028 1.708 -0.718 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.041 2.593 0.826 1.00 0.00 H new ATOM 1514 N TYR A 93 5.266 3.256 -1.873 1.00 0.00 N ATOM 1515 CA TYR A 93 6.667 2.950 -1.618 1.00 0.00 C ATOM 1516 C TYR A 93 7.435 4.199 -1.210 1.00 0.00 C ATOM 1517 O TYR A 93 7.199 5.286 -1.736 1.00 0.00 O ATOM 1518 CB TYR A 93 7.339 2.308 -2.833 1.00 0.00 C ATOM 1519 CG TYR A 93 7.078 2.994 -4.154 1.00 0.00 C ATOM 1520 CD1 TYR A 93 7.608 4.249 -4.425 1.00 0.00 C ATOM 1521 CD2 TYR A 93 6.330 2.369 -5.141 1.00 0.00 C ATOM 1522 CE1 TYR A 93 7.399 4.863 -5.644 1.00 0.00 C ATOM 1523 CE2 TYR A 93 6.112 2.979 -6.363 1.00 0.00 C ATOM 1524 CZ TYR A 93 6.650 4.224 -6.610 1.00 0.00 C ATOM 1525 OH TYR A 93 6.446 4.828 -7.828 1.00 0.00 O ATOM 0 H TYR A 93 5.096 4.209 -2.196 1.00 0.00 H new ATOM 0 HA TYR A 93 6.688 2.234 -0.796 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.415 2.284 -2.662 1.00 0.00 H new ATOM 0 HB3 TYR A 93 7.005 1.273 -2.908 1.00 0.00 H new ATOM 0 HD1 TYR A 93 8.193 4.753 -3.670 1.00 0.00 H new ATOM 0 HD2 TYR A 93 5.912 1.391 -4.952 1.00 0.00 H new ATOM 0 HE1 TYR A 93 7.820 5.838 -5.840 1.00 0.00 H new ATOM 0 HE2 TYR A 93 5.523 2.482 -7.120 1.00 0.00 H new ATOM 0 HH TYR A 93 7.212 5.401 -8.042 1.00 0.00 H new ATOM 1535 N ALA A 94 8.362 4.029 -0.277 1.00 0.00 N ATOM 1536 CA ALA A 94 9.180 5.135 0.198 1.00 0.00 C ATOM 1537 C ALA A 94 10.611 4.987 -0.299 1.00 0.00 C ATOM 1538 O ALA A 94 11.345 4.106 0.148 1.00 0.00 O ATOM 1539 CB ALA A 94 9.147 5.205 1.718 1.00 0.00 C ATOM 0 H ALA A 94 8.566 3.133 0.166 1.00 0.00 H new ATOM 0 HA ALA A 94 8.772 6.065 -0.198 1.00 0.00 H new ATOM 0 HB1 ALA A 94 9.764 6.037 2.057 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.121 5.354 2.053 1.00 0.00 H new ATOM 0 HB3 ALA A 94 9.533 4.274 2.134 1.00 0.00 H new ATOM 1545 N ASP A 95 10.997 5.849 -1.238 1.00 0.00 N ATOM 1546 CA ASP A 95 12.338 5.819 -1.821 1.00 0.00 C ATOM 1547 C ASP A 95 12.429 4.766 -2.924 1.00 0.00 C ATOM 1548 O ASP A 95 13.514 4.280 -3.243 1.00 0.00 O ATOM 1549 CB ASP A 95 13.398 5.547 -0.747 1.00 0.00 C ATOM 1550 CG ASP A 95 14.628 6.416 -0.917 1.00 0.00 C ATOM 1551 OD1 ASP A 95 15.338 6.249 -1.931 1.00 0.00 O ATOM 1552 OD2 ASP A 95 14.883 7.263 -0.034 1.00 0.00 O ATOM 0 H ASP A 95 10.395 6.582 -1.614 1.00 0.00 H new ATOM 0 HA ASP A 95 12.530 6.799 -2.258 1.00 0.00 H new ATOM 0 HB2 ASP A 95 12.966 5.722 0.238 1.00 0.00 H new ATOM 0 HB3 ASP A 95 13.690 4.497 -0.786 1.00 0.00 H new ATOM 1557 N GLY A 96 11.283 4.428 -3.512 1.00 0.00 N ATOM 1558 CA GLY A 96 11.258 3.447 -4.583 1.00 0.00 C ATOM 1559 C GLY A 96 10.789 2.073 -4.133 1.00 0.00 C ATOM 1560 O GLY A 96 10.073 1.389 -4.865 1.00 0.00 O ATOM 0 H GLY A 96 10.373 4.816 -3.265 1.00 0.00 H new ATOM 0 HA2 GLY A 96 10.603 3.804 -5.377 1.00 0.00 H new ATOM 0 HA3 GLY A 96 12.257 3.360 -5.009 1.00 0.00 H new ATOM 1564 N LYS A 97 11.200 1.660 -2.938 1.00 0.00 N ATOM 1565 CA LYS A 97 10.821 0.351 -2.411 1.00 0.00 C ATOM 1566 C LYS A 97 9.510 0.422 -1.632 1.00 0.00 C ATOM 1567 O LYS A 97 9.318 1.309 -0.801 1.00 0.00 O ATOM 1568 CB LYS A 97 11.930 -0.199 -1.513 1.00 0.00 C ATOM 1569 CG LYS A 97 12.351 0.762 -0.411 1.00 0.00 C ATOM 1570 CD LYS A 97 13.801 1.195 -0.570 1.00 0.00 C ATOM 1571 CE LYS A 97 14.295 1.950 0.653 1.00 0.00 C ATOM 1572 NZ LYS A 97 14.501 1.045 1.817 1.00 0.00 N ATOM 0 H LYS A 97 11.794 2.210 -2.317 1.00 0.00 H new ATOM 0 HA LYS A 97 10.676 -0.319 -3.258 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.592 -1.132 -1.061 1.00 0.00 H new ATOM 0 HB3 LYS A 97 12.798 -0.438 -2.127 1.00 0.00 H new ATOM 0 HG2 LYS A 97 11.705 1.640 -0.426 1.00 0.00 H new ATOM 0 HG3 LYS A 97 12.217 0.285 0.560 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.427 0.318 -0.735 1.00 0.00 H new ATOM 0 HD3 LYS A 97 13.898 1.827 -1.453 1.00 0.00 H new ATOM 0 HE2 LYS A 97 15.231 2.454 0.415 1.00 0.00 H new ATOM 0 HE3 LYS A 97 13.575 2.724 0.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 14.222 1.535 2.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 13.921 0.190 1.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 15.504 0.777 1.875 1.00 0.00 H new ATOM 1586 N MET A 98 8.613 -0.522 -1.904 1.00 0.00 N ATOM 1587 CA MET A 98 7.322 -0.568 -1.223 1.00 0.00 C ATOM 1588 C MET A 98 7.504 -0.942 0.243 1.00 0.00 C ATOM 1589 O MET A 98 8.308 -1.811 0.575 1.00 0.00 O ATOM 1590 CB MET A 98 6.386 -1.574 -1.903 1.00 0.00 C ATOM 1591 CG MET A 98 6.220 -1.346 -3.398 1.00 0.00 C ATOM 1592 SD MET A 98 7.290 -2.406 -4.389 1.00 0.00 S ATOM 1593 CE MET A 98 7.927 -1.226 -5.576 1.00 0.00 C ATOM 0 H MET A 98 8.756 -1.264 -2.589 1.00 0.00 H new ATOM 0 HA MET A 98 6.874 0.424 -1.282 1.00 0.00 H new ATOM 0 HB2 MET A 98 6.770 -2.581 -1.739 1.00 0.00 H new ATOM 0 HB3 MET A 98 5.407 -1.524 -1.427 1.00 0.00 H new ATOM 0 HG2 MET A 98 5.181 -1.525 -3.675 1.00 0.00 H new ATOM 0 HG3 MET A 98 6.436 -0.303 -3.628 1.00 0.00 H new ATOM 0 HE1 MET A 98 8.107 -1.727 -6.527 1.00 0.00 H new ATOM 0 HE2 MET A 98 7.201 -0.426 -5.719 1.00 0.00 H new ATOM 0 HE3 MET A 98 8.862 -0.805 -5.205 1.00 0.00 H new ATOM 1603 N VAL A 99 6.748 -0.283 1.119 1.00 0.00 N ATOM 1604 CA VAL A 99 6.829 -0.555 2.551 1.00 0.00 C ATOM 1605 C VAL A 99 6.743 -2.052 2.824 1.00 0.00 C ATOM 1606 O VAL A 99 7.295 -2.548 3.806 1.00 0.00 O ATOM 1607 CB VAL A 99 5.710 0.165 3.325 1.00 0.00 C ATOM 1608 CG1 VAL A 99 5.947 1.667 3.338 1.00 0.00 C ATOM 1609 CG2 VAL A 99 4.351 -0.161 2.726 1.00 0.00 C ATOM 0 H VAL A 99 6.075 0.440 0.863 1.00 0.00 H new ATOM 0 HA VAL A 99 7.792 -0.178 2.894 1.00 0.00 H new ATOM 0 HB VAL A 99 5.723 -0.190 4.356 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.145 2.157 3.890 1.00 0.00 H new ATOM 0 HG12 VAL A 99 6.902 1.881 3.819 1.00 0.00 H new ATOM 0 HG13 VAL A 99 5.965 2.041 2.314 1.00 0.00 H new ATOM 0 HG21 VAL A 99 3.573 0.357 3.286 1.00 0.00 H new ATOM 0 HG22 VAL A 99 4.325 0.162 1.685 1.00 0.00 H new ATOM 0 HG23 VAL A 99 4.180 -1.236 2.776 1.00 0.00 H new ATOM 1619 N ASN A 100 6.057 -2.768 1.939 1.00 0.00 N ATOM 1620 CA ASN A 100 5.908 -4.209 2.072 1.00 0.00 C ATOM 1621 C ASN A 100 7.076 -4.928 1.403 1.00 0.00 C ATOM 1622 O ASN A 100 7.465 -6.020 1.815 1.00 0.00 O ATOM 1623 CB ASN A 100 4.585 -4.669 1.457 1.00 0.00 C ATOM 1624 CG ASN A 100 3.436 -4.602 2.443 1.00 0.00 C ATOM 1625 OD1 ASN A 100 3.620 -4.249 3.607 1.00 0.00 O ATOM 1626 ND2 ASN A 100 2.238 -4.942 1.980 1.00 0.00 N ATOM 0 H ASN A 100 5.595 -2.371 1.121 1.00 0.00 H new ATOM 0 HA ASN A 100 5.905 -4.458 3.133 1.00 0.00 H new ATOM 0 HB2 ASN A 100 4.354 -4.048 0.591 1.00 0.00 H new ATOM 0 HB3 ASN A 100 4.691 -5.692 1.096 1.00 0.00 H new ATOM 0 HD21 ASN A 100 1.426 -4.916 2.597 1.00 0.00 H new ATOM 0 HD22 ASN A 100 2.130 -5.229 1.007 1.00 0.00 H new ATOM 1633 N GLU A 101 7.634 -4.300 0.369 1.00 0.00 N ATOM 1634 CA GLU A 101 8.761 -4.873 -0.358 1.00 0.00 C ATOM 1635 C GLU A 101 9.940 -5.128 0.580 1.00 0.00 C ATOM 1636 O GLU A 101 10.764 -6.007 0.332 1.00 0.00 O ATOM 1637 CB GLU A 101 9.192 -3.944 -1.500 1.00 0.00 C ATOM 1638 CG GLU A 101 9.047 -4.569 -2.877 1.00 0.00 C ATOM 1639 CD GLU A 101 9.840 -5.853 -3.022 1.00 0.00 C ATOM 1640 OE1 GLU A 101 9.321 -6.918 -2.630 1.00 0.00 O ATOM 1641 OE2 GLU A 101 10.980 -5.792 -3.530 1.00 0.00 O ATOM 0 H GLU A 101 7.323 -3.395 0.017 1.00 0.00 H new ATOM 0 HA GLU A 101 8.440 -5.826 -0.779 1.00 0.00 H new ATOM 0 HB2 GLU A 101 8.597 -3.031 -1.459 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.232 -3.654 -1.349 1.00 0.00 H new ATOM 0 HG2 GLU A 101 7.994 -4.773 -3.070 1.00 0.00 H new ATOM 0 HG3 GLU A 101 9.377 -3.856 -3.632 1.00 0.00 H new ATOM 1648 N ALA A 102 10.013 -4.351 1.658 1.00 0.00 N ATOM 1649 CA ALA A 102 11.092 -4.491 2.628 1.00 0.00 C ATOM 1650 C ALA A 102 11.097 -5.880 3.256 1.00 0.00 C ATOM 1651 O ALA A 102 12.011 -6.671 3.025 1.00 0.00 O ATOM 1652 CB ALA A 102 10.978 -3.422 3.704 1.00 0.00 C ATOM 0 H ALA A 102 9.338 -3.619 1.880 1.00 0.00 H new ATOM 0 HA ALA A 102 12.037 -4.360 2.100 1.00 0.00 H new ATOM 0 HB1 ALA A 102 11.790 -3.539 4.421 1.00 0.00 H new ATOM 0 HB2 ALA A 102 11.039 -2.435 3.245 1.00 0.00 H new ATOM 0 HB3 ALA A 102 10.022 -3.524 4.218 1.00 0.00 H new ATOM 1658 N LEU A 103 10.070 -6.175 4.047 1.00 0.00 N ATOM 1659 CA LEU A 103 9.966 -7.474 4.696 1.00 0.00 C ATOM 1660 C LEU A 103 8.517 -7.899 4.858 1.00 0.00 C ATOM 1661 O LEU A 103 7.858 -7.534 5.826 1.00 0.00 O ATOM 1662 CB LEU A 103 10.673 -7.501 6.064 1.00 0.00 C ATOM 1663 CG LEU A 103 10.421 -6.320 7.018 1.00 0.00 C ATOM 1664 CD1 LEU A 103 11.402 -6.381 8.177 1.00 0.00 C ATOM 1665 CD2 LEU A 103 10.541 -4.977 6.313 1.00 0.00 C ATOM 0 H LEU A 103 9.303 -5.535 4.252 1.00 0.00 H new ATOM 0 HA LEU A 103 10.471 -8.184 4.041 1.00 0.00 H new ATOM 0 HB2 LEU A 103 10.378 -8.416 6.577 1.00 0.00 H new ATOM 0 HB3 LEU A 103 11.746 -7.567 5.887 1.00 0.00 H new ATOM 0 HG LEU A 103 9.399 -6.406 7.387 1.00 0.00 H new ATOM 0 HD11 LEU A 103 11.221 -5.544 8.851 1.00 0.00 H new ATOM 0 HD12 LEU A 103 11.268 -7.318 8.718 1.00 0.00 H new ATOM 0 HD13 LEU A 103 12.421 -6.325 7.794 1.00 0.00 H new ATOM 0 HD21 LEU A 103 10.355 -4.174 7.026 1.00 0.00 H new ATOM 0 HD22 LEU A 103 11.544 -4.871 5.901 1.00 0.00 H new ATOM 0 HD23 LEU A 103 9.810 -4.923 5.507 1.00 0.00 H new ATOM 1677 N VAL A 104 8.026 -8.679 3.902 1.00 0.00 N ATOM 1678 CA VAL A 104 6.650 -9.159 3.946 1.00 0.00 C ATOM 1679 C VAL A 104 6.568 -10.660 4.247 1.00 0.00 C ATOM 1680 O VAL A 104 5.934 -11.066 5.220 1.00 0.00 O ATOM 1681 CB VAL A 104 5.892 -8.844 2.636 1.00 0.00 C ATOM 1682 CG1 VAL A 104 6.560 -9.502 1.437 1.00 0.00 C ATOM 1683 CG2 VAL A 104 4.436 -9.276 2.744 1.00 0.00 C ATOM 0 H VAL A 104 8.558 -8.992 3.090 1.00 0.00 H new ATOM 0 HA VAL A 104 6.169 -8.623 4.764 1.00 0.00 H new ATOM 0 HB VAL A 104 5.924 -7.765 2.483 1.00 0.00 H new ATOM 0 HG11 VAL A 104 6.002 -9.261 0.532 1.00 0.00 H new ATOM 0 HG12 VAL A 104 7.582 -9.134 1.343 1.00 0.00 H new ATOM 0 HG13 VAL A 104 6.575 -10.583 1.577 1.00 0.00 H new ATOM 0 HG21 VAL A 104 3.918 -9.046 1.813 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.388 -10.349 2.931 1.00 0.00 H new ATOM 0 HG23 VAL A 104 3.958 -8.743 3.566 1.00 0.00 H new ATOM 1693 N ARG A 105 7.181 -11.487 3.401 1.00 0.00 N ATOM 1694 CA ARG A 105 7.134 -12.937 3.586 1.00 0.00 C ATOM 1695 C ARG A 105 8.457 -13.525 4.084 1.00 0.00 C ATOM 1696 O ARG A 105 8.468 -14.577 4.724 1.00 0.00 O ATOM 1697 CB ARG A 105 6.730 -13.612 2.276 1.00 0.00 C ATOM 1698 CG ARG A 105 5.325 -13.253 1.822 1.00 0.00 C ATOM 1699 CD ARG A 105 4.272 -13.847 2.743 1.00 0.00 C ATOM 1700 NE ARG A 105 4.531 -15.256 3.032 1.00 0.00 N ATOM 1701 CZ ARG A 105 4.357 -16.238 2.152 1.00 0.00 C ATOM 1702 NH1 ARG A 105 3.925 -15.970 0.925 1.00 0.00 N ATOM 1703 NH2 ARG A 105 4.617 -17.492 2.497 1.00 0.00 N ATOM 0 H ARG A 105 7.713 -11.181 2.586 1.00 0.00 H new ATOM 0 HA ARG A 105 6.391 -13.132 4.360 1.00 0.00 H new ATOM 0 HB2 ARG A 105 7.439 -13.331 1.497 1.00 0.00 H new ATOM 0 HB3 ARG A 105 6.800 -14.693 2.396 1.00 0.00 H new ATOM 0 HG2 ARG A 105 5.216 -12.169 1.795 1.00 0.00 H new ATOM 0 HG3 ARG A 105 5.167 -13.614 0.806 1.00 0.00 H new ATOM 0 HD2 ARG A 105 4.247 -13.284 3.676 1.00 0.00 H new ATOM 0 HD3 ARG A 105 3.289 -13.746 2.283 1.00 0.00 H new ATOM 0 HE ARG A 105 4.865 -15.501 3.964 1.00 0.00 H new ATOM 0 HH11 ARG A 105 3.725 -15.007 0.654 1.00 0.00 H new ATOM 0 HH12 ARG A 105 3.793 -16.727 0.254 1.00 0.00 H new ATOM 0 HH21 ARG A 105 4.950 -17.704 3.437 1.00 0.00 H new ATOM 0 HH22 ARG A 105 4.483 -18.245 1.822 1.00 0.00 H new ATOM 1717 N GLN A 106 9.570 -12.873 3.760 1.00 0.00 N ATOM 1718 CA GLN A 106 10.894 -13.373 4.152 1.00 0.00 C ATOM 1719 C GLN A 106 11.177 -13.248 5.657 1.00 0.00 C ATOM 1720 O GLN A 106 12.324 -13.388 6.079 1.00 0.00 O ATOM 1721 CB GLN A 106 11.995 -12.670 3.349 1.00 0.00 C ATOM 1722 CG GLN A 106 12.280 -11.249 3.801 1.00 0.00 C ATOM 1723 CD GLN A 106 11.013 -10.464 4.037 1.00 0.00 C ATOM 1724 OE1 GLN A 106 10.353 -10.030 3.094 1.00 0.00 O ATOM 1725 NE2 GLN A 106 10.657 -10.292 5.302 1.00 0.00 N ATOM 0 H GLN A 106 9.587 -12.002 3.230 1.00 0.00 H new ATOM 0 HA GLN A 106 10.893 -14.439 3.923 1.00 0.00 H new ATOM 0 HB2 GLN A 106 12.912 -13.254 3.422 1.00 0.00 H new ATOM 0 HB3 GLN A 106 11.710 -12.655 2.297 1.00 0.00 H new ATOM 0 HG2 GLN A 106 12.868 -11.272 4.718 1.00 0.00 H new ATOM 0 HG3 GLN A 106 12.884 -10.744 3.048 1.00 0.00 H new ATOM 0 HE21 GLN A 106 11.237 -10.671 6.051 1.00 0.00 H new ATOM 0 HE22 GLN A 106 9.803 -9.781 5.527 1.00 0.00 H new ATOM 1734 N GLY A 107 10.144 -13.015 6.468 1.00 0.00 N ATOM 1735 CA GLY A 107 10.352 -12.918 7.907 1.00 0.00 C ATOM 1736 C GLY A 107 9.718 -11.696 8.548 1.00 0.00 C ATOM 1737 O GLY A 107 9.770 -11.543 9.768 1.00 0.00 O ATOM 0 H GLY A 107 9.179 -12.893 6.160 1.00 0.00 H new ATOM 0 HA2 GLY A 107 9.950 -13.813 8.382 1.00 0.00 H new ATOM 0 HA3 GLY A 107 11.423 -12.905 8.108 1.00 0.00 H new ATOM 1741 N LEU A 108 9.102 -10.836 7.743 1.00 0.00 N ATOM 1742 CA LEU A 108 8.444 -9.641 8.268 1.00 0.00 C ATOM 1743 C LEU A 108 9.349 -8.870 9.228 1.00 0.00 C ATOM 1744 O LEU A 108 10.486 -9.266 9.487 1.00 0.00 O ATOM 1745 CB LEU A 108 7.143 -10.024 8.978 1.00 0.00 C ATOM 1746 CG LEU A 108 5.871 -9.812 8.158 1.00 0.00 C ATOM 1747 CD1 LEU A 108 4.673 -10.424 8.863 1.00 0.00 C ATOM 1748 CD2 LEU A 108 5.644 -8.330 7.899 1.00 0.00 C ATOM 0 H LEU A 108 9.044 -10.942 6.730 1.00 0.00 H new ATOM 0 HA LEU A 108 8.222 -8.991 7.422 1.00 0.00 H new ATOM 0 HB2 LEU A 108 7.200 -11.074 9.267 1.00 0.00 H new ATOM 0 HB3 LEU A 108 7.065 -9.444 9.898 1.00 0.00 H new ATOM 0 HG LEU A 108 5.993 -10.312 7.197 1.00 0.00 H new ATOM 0 HD11 LEU A 108 3.777 -10.263 8.264 1.00 0.00 H new ATOM 0 HD12 LEU A 108 4.835 -11.494 8.993 1.00 0.00 H new ATOM 0 HD13 LEU A 108 4.546 -9.955 9.839 1.00 0.00 H new ATOM 0 HD21 LEU A 108 4.734 -8.198 7.314 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.544 -7.806 8.849 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.492 -7.923 7.348 1.00 0.00 H new ATOM 1760 N ALA A 109 8.833 -7.763 9.750 1.00 0.00 N ATOM 1761 CA ALA A 109 9.583 -6.930 10.681 1.00 0.00 C ATOM 1762 C ALA A 109 9.119 -7.157 12.116 1.00 0.00 C ATOM 1763 O ALA A 109 7.922 -7.244 12.385 1.00 0.00 O ATOM 1764 CB ALA A 109 9.443 -5.465 10.303 1.00 0.00 C ATOM 0 H ALA A 109 7.895 -7.421 9.543 1.00 0.00 H new ATOM 0 HA ALA A 109 10.634 -7.211 10.620 1.00 0.00 H new ATOM 0 HB1 ALA A 109 10.008 -4.852 11.006 1.00 0.00 H new ATOM 0 HB2 ALA A 109 9.829 -5.311 9.295 1.00 0.00 H new ATOM 0 HB3 ALA A 109 8.392 -5.180 10.336 1.00 0.00 H new ATOM 1770 N LYS A 110 10.075 -7.250 13.036 1.00 0.00 N ATOM 1771 CA LYS A 110 9.764 -7.465 14.445 1.00 0.00 C ATOM 1772 C LYS A 110 10.793 -6.781 15.339 1.00 0.00 C ATOM 1773 O LYS A 110 12.003 -7.014 15.133 1.00 0.00 O ATOM 1774 CB LYS A 110 9.714 -8.962 14.756 1.00 0.00 C ATOM 1775 CG LYS A 110 8.644 -9.710 13.977 1.00 0.00 C ATOM 1776 CD LYS A 110 8.176 -10.950 14.724 1.00 0.00 C ATOM 1777 CE LYS A 110 7.538 -10.592 16.056 1.00 0.00 C ATOM 1778 NZ LYS A 110 6.401 -11.494 16.389 1.00 0.00 N ATOM 1779 OXT LYS A 110 10.381 -6.019 16.238 1.00 0.00 O ATOM 0 H LYS A 110 11.072 -7.180 12.831 1.00 0.00 H new ATOM 0 HA LYS A 110 8.786 -7.027 14.647 1.00 0.00 H new ATOM 0 HB2 LYS A 110 10.686 -9.403 14.536 1.00 0.00 H new ATOM 0 HB3 LYS A 110 9.536 -9.097 15.823 1.00 0.00 H new ATOM 0 HG2 LYS A 110 7.795 -9.050 13.797 1.00 0.00 H new ATOM 0 HG3 LYS A 110 9.037 -9.998 13.002 1.00 0.00 H new ATOM 0 HD2 LYS A 110 7.459 -11.496 14.111 1.00 0.00 H new ATOM 0 HD3 LYS A 110 9.023 -11.615 14.892 1.00 0.00 H new ATOM 0 HE2 LYS A 110 8.289 -10.648 16.844 1.00 0.00 H new ATOM 0 HE3 LYS A 110 7.186 -9.561 16.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 5.994 -11.216 17.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 5.673 -11.422 15.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 6.741 -12.475 16.445 1.00 0.00 H new TER 1793 LYS A 110