USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 687 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 Single : A 1 THR N :NH3+ -131:sc= 0.548 (180deg=0.0859) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.278 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot -89:sc= -0.445 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 146:sc= -0.0789 (180deg=-0.733) USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.3 USER MOD Single : A 16 TYR OH : rot 58:sc= -0.173 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0.0055) USER MOD Single : A 22 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0117) USER MOD Single : A 24 GLN : amide:sc= -0.894 K(o=-0.89,f=-2.4!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.499 X(o=-0.5,f=0) USER MOD Single : A 31 MET CE :methyl 156:sc= -3.38 (180deg=-5.1!) USER MOD Single : A 33 HIS : no HD1:sc= -1.27 X(o=-1.3,f=-1.3) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -110:sc= 1.24 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -4.57! C(o=-4.6!,f=-16!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 130:sc= -1.69 USER MOD Single : A 50 TYR OH : rot 157:sc= 1.45 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.013 USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 60 THR OG1 : rot 79:sc= 1.25 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -132:sc= 0.733 (180deg=-2.04!) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -32:sc= -0.461! USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.214 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 23.419 -7.134 -8.167 1.00 0.00 N ATOM 2 CA THR A 1 22.283 -6.600 -8.972 1.00 0.00 C ATOM 3 C THR A 1 21.010 -6.548 -8.123 1.00 0.00 C ATOM 4 O THR A 1 19.999 -7.130 -8.464 1.00 0.00 O ATOM 5 CB THR A 1 22.117 -7.588 -10.127 1.00 0.00 C ATOM 6 OG1 THR A 1 22.536 -8.881 -9.707 1.00 0.00 O ATOM 7 CG2 THR A 1 22.968 -7.133 -11.314 1.00 0.00 C ATOM 0 H1 THR A 1 24.244 -6.509 -8.273 1.00 0.00 H new ATOM 0 H2 THR A 1 23.144 -7.177 -7.165 1.00 0.00 H new ATOM 0 H3 THR A 1 23.662 -8.089 -8.501 1.00 0.00 H new ATOM 0 HA THR A 1 22.469 -5.586 -9.326 1.00 0.00 H new ATOM 0 HB THR A 1 21.070 -7.626 -10.427 1.00 0.00 H new ATOM 0 HG1 THR A 1 22.429 -9.516 -10.446 1.00 0.00 H new ATOM 0 HG21 THR A 1 22.850 -7.837 -12.138 1.00 0.00 H new ATOM 0 HG22 THR A 1 22.645 -6.142 -11.634 1.00 0.00 H new ATOM 0 HG23 THR A 1 24.016 -7.095 -11.017 1.00 0.00 H new ATOM 17 N LYS A 2 21.050 -5.854 -7.020 1.00 0.00 N ATOM 18 CA LYS A 2 19.841 -5.764 -6.152 1.00 0.00 C ATOM 19 C LYS A 2 19.806 -4.413 -5.435 1.00 0.00 C ATOM 20 O LYS A 2 20.218 -4.292 -4.298 1.00 0.00 O ATOM 21 CB LYS A 2 19.989 -6.909 -5.149 1.00 0.00 C ATOM 22 CG LYS A 2 19.836 -8.246 -5.877 1.00 0.00 C ATOM 23 CD LYS A 2 19.535 -9.350 -4.862 1.00 0.00 C ATOM 24 CE LYS A 2 20.848 -9.962 -4.370 1.00 0.00 C ATOM 25 NZ LYS A 2 20.965 -9.529 -2.950 1.00 0.00 N ATOM 0 H LYS A 2 21.867 -5.345 -6.681 1.00 0.00 H new ATOM 0 HA LYS A 2 18.914 -5.842 -6.720 1.00 0.00 H new ATOM 0 HB2 LYS A 2 20.963 -6.857 -4.662 1.00 0.00 H new ATOM 0 HB3 LYS A 2 19.236 -6.821 -4.366 1.00 0.00 H new ATOM 0 HG2 LYS A 2 19.032 -8.183 -6.610 1.00 0.00 H new ATOM 0 HG3 LYS A 2 20.749 -8.480 -6.425 1.00 0.00 H new ATOM 0 HD2 LYS A 2 18.974 -8.943 -4.021 1.00 0.00 H new ATOM 0 HD3 LYS A 2 18.912 -10.119 -5.319 1.00 0.00 H new ATOM 0 HE2 LYS A 2 20.832 -11.049 -4.451 1.00 0.00 H new ATOM 0 HE3 LYS A 2 21.694 -9.610 -4.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 21.843 -9.910 -2.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 20.984 -8.490 -2.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 20.150 -9.884 -2.411 1.00 0.00 H new ATOM 39 N ALA A 3 19.318 -3.398 -6.092 1.00 0.00 N ATOM 40 CA ALA A 3 19.255 -2.053 -5.452 1.00 0.00 C ATOM 41 C ALA A 3 17.927 -1.882 -4.710 1.00 0.00 C ATOM 42 O ALA A 3 16.901 -2.377 -5.132 1.00 0.00 O ATOM 43 CB ALA A 3 19.351 -1.059 -6.610 1.00 0.00 C ATOM 0 H ALA A 3 18.959 -3.441 -7.046 1.00 0.00 H new ATOM 0 HA ALA A 3 20.050 -1.907 -4.720 1.00 0.00 H new ATOM 0 HB1 ALA A 3 19.312 -0.042 -6.221 1.00 0.00 H new ATOM 0 HB2 ALA A 3 20.291 -1.208 -7.141 1.00 0.00 H new ATOM 0 HB3 ALA A 3 18.519 -1.218 -7.296 1.00 0.00 H new ATOM 49 N SER A 4 17.939 -1.185 -3.608 1.00 0.00 N ATOM 50 CA SER A 4 16.676 -0.981 -2.842 1.00 0.00 C ATOM 51 C SER A 4 15.668 -0.197 -3.688 1.00 0.00 C ATOM 52 O SER A 4 15.813 -0.075 -4.887 1.00 0.00 O ATOM 53 CB SER A 4 17.087 -0.174 -1.611 1.00 0.00 C ATOM 54 OG SER A 4 16.845 -0.945 -0.441 1.00 0.00 O ATOM 0 H SER A 4 18.767 -0.748 -3.204 1.00 0.00 H new ATOM 0 HA SER A 4 16.199 -1.923 -2.570 1.00 0.00 H new ATOM 0 HB2 SER A 4 18.142 0.093 -1.673 1.00 0.00 H new ATOM 0 HB3 SER A 4 16.524 0.758 -1.569 1.00 0.00 H new ATOM 0 HG SER A 4 15.934 -0.777 -0.121 1.00 0.00 H new ATOM 60 N CYS A 5 14.649 0.336 -3.070 1.00 0.00 N ATOM 61 CA CYS A 5 13.636 1.112 -3.840 1.00 0.00 C ATOM 62 C CYS A 5 13.564 2.549 -3.315 1.00 0.00 C ATOM 63 O CYS A 5 14.354 2.959 -2.489 1.00 0.00 O ATOM 64 CB CYS A 5 12.306 0.392 -3.603 1.00 0.00 C ATOM 65 SG CYS A 5 12.532 -1.396 -3.797 1.00 0.00 S ATOM 0 H CYS A 5 14.475 0.268 -2.067 1.00 0.00 H new ATOM 0 HA CYS A 5 13.883 1.167 -4.900 1.00 0.00 H new ATOM 0 HB2 CYS A 5 11.935 0.614 -2.603 1.00 0.00 H new ATOM 0 HB3 CYS A 5 11.557 0.752 -4.308 1.00 0.00 H new ATOM 70 N LYS A 6 12.620 3.315 -3.789 1.00 0.00 N ATOM 71 CA LYS A 6 12.494 4.724 -3.317 1.00 0.00 C ATOM 72 C LYS A 6 11.055 4.994 -2.864 1.00 0.00 C ATOM 73 O LYS A 6 10.168 5.164 -3.675 1.00 0.00 O ATOM 74 CB LYS A 6 12.845 5.581 -4.536 1.00 0.00 C ATOM 75 CG LYS A 6 13.783 6.715 -4.115 1.00 0.00 C ATOM 76 CD LYS A 6 15.235 6.289 -4.338 1.00 0.00 C ATOM 77 CE LYS A 6 16.039 7.473 -4.884 1.00 0.00 C ATOM 78 NZ LYS A 6 17.086 6.862 -5.749 1.00 0.00 N ATOM 0 H LYS A 6 11.930 3.027 -4.483 1.00 0.00 H new ATOM 0 HA LYS A 6 13.143 4.941 -2.469 1.00 0.00 H new ATOM 0 HB2 LYS A 6 13.321 4.966 -5.300 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.937 5.992 -4.978 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.565 7.614 -4.691 1.00 0.00 H new ATOM 0 HG3 LYS A 6 13.623 6.962 -3.066 1.00 0.00 H new ATOM 0 HD2 LYS A 6 15.671 5.941 -3.401 1.00 0.00 H new ATOM 0 HD3 LYS A 6 15.276 5.454 -5.038 1.00 0.00 H new ATOM 0 HE2 LYS A 6 15.404 8.152 -5.453 1.00 0.00 H new ATOM 0 HE3 LYS A 6 16.484 8.054 -4.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 17.678 7.612 -6.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 17.679 6.226 -5.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 16.633 6.321 -6.513 1.00 0.00 H new ATOM 92 N LEU A 7 10.822 5.025 -1.576 1.00 0.00 N ATOM 93 CA LEU A 7 9.441 5.275 -1.060 1.00 0.00 C ATOM 94 C LEU A 7 8.715 6.307 -1.935 1.00 0.00 C ATOM 95 O LEU A 7 8.915 7.496 -1.778 1.00 0.00 O ATOM 96 CB LEU A 7 9.639 5.816 0.357 1.00 0.00 C ATOM 97 CG LEU A 7 10.686 6.930 0.344 1.00 0.00 C ATOM 98 CD1 LEU A 7 10.166 8.126 1.144 1.00 0.00 C ATOM 99 CD2 LEU A 7 11.980 6.419 0.979 1.00 0.00 C ATOM 0 H LEU A 7 11.532 4.887 -0.857 1.00 0.00 H new ATOM 0 HA LEU A 7 8.831 4.372 -1.072 1.00 0.00 H new ATOM 0 HB2 LEU A 7 8.695 6.196 0.746 1.00 0.00 H new ATOM 0 HB3 LEU A 7 9.957 5.013 1.022 1.00 0.00 H new ATOM 0 HG LEU A 7 10.880 7.235 -0.684 1.00 0.00 H new ATOM 0 HD11 LEU A 7 10.911 8.921 1.136 1.00 0.00 H new ATOM 0 HD12 LEU A 7 9.242 8.490 0.695 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.974 7.820 2.172 1.00 0.00 H new ATOM 0 HD21 LEU A 7 12.727 7.212 0.970 1.00 0.00 H new ATOM 0 HD22 LEU A 7 11.785 6.115 2.007 1.00 0.00 H new ATOM 0 HD23 LEU A 7 12.351 5.565 0.412 1.00 0.00 H new ATOM 111 N PRO A 8 7.897 5.819 -2.839 1.00 0.00 N ATOM 112 CA PRO A 8 7.142 6.714 -3.752 1.00 0.00 C ATOM 113 C PRO A 8 6.150 7.580 -2.970 1.00 0.00 C ATOM 114 O PRO A 8 5.995 8.756 -3.235 1.00 0.00 O ATOM 115 CB PRO A 8 6.406 5.723 -4.661 1.00 0.00 C ATOM 116 CG PRO A 8 6.765 4.290 -4.227 1.00 0.00 C ATOM 117 CD PRO A 8 7.682 4.361 -2.999 1.00 0.00 C ATOM 0 HA PRO A 8 7.776 7.414 -4.297 1.00 0.00 H new ATOM 0 HB2 PRO A 8 5.329 5.879 -4.595 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.688 5.884 -5.701 1.00 0.00 H new ATOM 0 HG2 PRO A 8 5.861 3.729 -3.991 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.264 3.763 -5.040 1.00 0.00 H new ATOM 0 HD2 PRO A 8 7.214 3.921 -2.118 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.619 3.829 -3.162 1.00 0.00 H new ATOM 125 N VAL A 9 5.467 7.008 -2.016 1.00 0.00 N ATOM 126 CA VAL A 9 4.479 7.801 -1.229 1.00 0.00 C ATOM 127 C VAL A 9 4.998 8.043 0.191 1.00 0.00 C ATOM 128 O VAL A 9 5.999 7.488 0.599 1.00 0.00 O ATOM 129 CB VAL A 9 3.214 6.942 -1.195 1.00 0.00 C ATOM 130 CG1 VAL A 9 2.018 7.806 -0.791 1.00 0.00 C ATOM 131 CG2 VAL A 9 2.959 6.342 -2.580 1.00 0.00 C ATOM 0 H VAL A 9 5.550 6.027 -1.748 1.00 0.00 H new ATOM 0 HA VAL A 9 4.296 8.781 -1.671 1.00 0.00 H new ATOM 0 HB VAL A 9 3.347 6.139 -0.470 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.117 7.192 -0.767 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.194 8.231 0.197 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.890 8.611 -1.515 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.057 5.731 -2.551 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.831 7.145 -3.306 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.808 5.723 -2.870 1.00 0.00 H new ATOM 141 N LYS A 10 4.323 8.865 0.946 1.00 0.00 N ATOM 142 CA LYS A 10 4.774 9.143 2.340 1.00 0.00 C ATOM 143 C LYS A 10 3.664 8.790 3.335 1.00 0.00 C ATOM 144 O LYS A 10 3.676 9.219 4.471 1.00 0.00 O ATOM 145 CB LYS A 10 5.065 10.643 2.371 1.00 0.00 C ATOM 146 CG LYS A 10 3.792 11.416 2.028 1.00 0.00 C ATOM 147 CD LYS A 10 4.058 12.918 2.147 1.00 0.00 C ATOM 148 CE LYS A 10 2.747 13.686 1.973 1.00 0.00 C ATOM 149 NZ LYS A 10 3.155 15.102 1.764 1.00 0.00 N ATOM 0 H LYS A 10 3.477 9.357 0.658 1.00 0.00 H new ATOM 0 HA LYS A 10 5.648 8.553 2.617 1.00 0.00 H new ATOM 0 HB2 LYS A 10 5.425 10.934 3.358 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.854 10.886 1.659 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.468 11.173 1.016 1.00 0.00 H new ATOM 0 HG3 LYS A 10 2.985 11.125 2.700 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.497 13.144 3.119 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.778 13.231 1.391 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.179 13.309 1.122 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.110 13.584 2.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.308 15.692 1.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.688 15.436 2.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.754 15.169 0.917 1.00 0.00 H new ATOM 163 N LYS A 11 2.705 8.008 2.917 1.00 0.00 N ATOM 164 CA LYS A 11 1.597 7.627 3.839 1.00 0.00 C ATOM 165 C LYS A 11 0.893 6.367 3.327 1.00 0.00 C ATOM 166 O LYS A 11 -0.303 6.210 3.473 1.00 0.00 O ATOM 167 CB LYS A 11 0.640 8.820 3.826 1.00 0.00 C ATOM 168 CG LYS A 11 0.773 9.595 5.139 1.00 0.00 C ATOM 169 CD LYS A 11 1.228 11.025 4.842 1.00 0.00 C ATOM 170 CE LYS A 11 0.102 12.003 5.190 1.00 0.00 C ATOM 171 NZ LYS A 11 -0.360 12.537 3.879 1.00 0.00 N ATOM 0 H LYS A 11 2.641 7.617 1.977 1.00 0.00 H new ATOM 0 HA LYS A 11 1.955 7.404 4.844 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.866 9.472 2.982 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.386 8.475 3.697 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.182 9.607 5.665 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.491 9.102 5.794 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.121 11.261 5.421 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.495 11.122 3.790 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.708 11.501 5.720 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.460 12.803 5.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.384 12.714 3.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.137 13.427 3.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.156 11.844 3.131 1.00 0.00 H new ATOM 185 N ALA A 12 1.625 5.472 2.723 1.00 0.00 N ATOM 186 CA ALA A 12 0.999 4.223 2.197 1.00 0.00 C ATOM 187 C ALA A 12 1.031 3.115 3.257 1.00 0.00 C ATOM 188 O ALA A 12 2.008 2.939 3.956 1.00 0.00 O ATOM 189 CB ALA A 12 1.852 3.834 0.990 1.00 0.00 C ATOM 0 H ALA A 12 2.630 5.550 2.570 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.048 4.370 1.931 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.457 2.921 0.544 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.828 4.637 0.254 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.880 3.665 1.310 1.00 0.00 H new ATOM 195 N THR A 13 -0.031 2.362 3.374 1.00 0.00 N ATOM 196 CA THR A 13 -0.061 1.258 4.379 1.00 0.00 C ATOM 197 C THR A 13 -0.022 -0.094 3.665 1.00 0.00 C ATOM 198 O THR A 13 -1.030 -0.597 3.211 1.00 0.00 O ATOM 199 CB THR A 13 -1.385 1.433 5.127 1.00 0.00 C ATOM 200 OG1 THR A 13 -1.726 2.812 5.167 1.00 0.00 O ATOM 201 CG2 THR A 13 -1.240 0.897 6.552 1.00 0.00 C ATOM 0 H THR A 13 -0.879 2.464 2.817 1.00 0.00 H new ATOM 0 HA THR A 13 0.792 1.290 5.057 1.00 0.00 H new ATOM 0 HB THR A 13 -2.171 0.881 4.612 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.574 2.925 5.644 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.183 1.021 7.085 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.979 -0.161 6.518 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.455 1.448 7.070 1.00 0.00 H new ATOM 209 N VAL A 14 1.136 -0.684 3.556 1.00 0.00 N ATOM 210 CA VAL A 14 1.239 -1.999 2.864 1.00 0.00 C ATOM 211 C VAL A 14 1.289 -3.137 3.886 1.00 0.00 C ATOM 212 O VAL A 14 1.335 -2.914 5.079 1.00 0.00 O ATOM 213 CB VAL A 14 2.548 -1.930 2.079 1.00 0.00 C ATOM 214 CG1 VAL A 14 2.529 -0.707 1.161 1.00 0.00 C ATOM 215 CG2 VAL A 14 3.720 -1.815 3.057 1.00 0.00 C ATOM 0 H VAL A 14 2.015 -0.312 3.916 1.00 0.00 H new ATOM 0 HA VAL A 14 0.382 -2.192 2.218 1.00 0.00 H new ATOM 0 HB VAL A 14 2.661 -2.832 1.478 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.463 -0.658 0.601 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.693 -0.787 0.466 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.418 0.196 1.761 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.655 -1.766 2.500 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.606 -0.912 3.656 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.734 -2.686 3.712 1.00 0.00 H new ATOM 225 N VAL A 15 1.278 -4.357 3.422 1.00 0.00 N ATOM 226 CA VAL A 15 1.324 -5.514 4.361 1.00 0.00 C ATOM 227 C VAL A 15 2.543 -6.392 4.062 1.00 0.00 C ATOM 228 O VAL A 15 2.569 -7.121 3.090 1.00 0.00 O ATOM 229 CB VAL A 15 0.033 -6.286 4.095 1.00 0.00 C ATOM 230 CG1 VAL A 15 0.055 -7.603 4.875 1.00 0.00 C ATOM 231 CG2 VAL A 15 -1.167 -5.447 4.542 1.00 0.00 C ATOM 0 H VAL A 15 1.239 -4.603 2.433 1.00 0.00 H new ATOM 0 HA VAL A 15 1.407 -5.199 5.401 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.050 -6.497 3.029 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.866 -8.154 4.685 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.908 -8.201 4.555 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.139 -7.393 5.941 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.088 -5.999 4.352 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.085 -5.234 5.608 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.184 -4.510 3.985 1.00 0.00 H new ATOM 241 N TYR A 16 3.547 -6.333 4.891 1.00 0.00 N ATOM 242 CA TYR A 16 4.757 -7.170 4.657 1.00 0.00 C ATOM 243 C TYR A 16 4.499 -8.602 5.131 1.00 0.00 C ATOM 244 O TYR A 16 3.439 -9.152 4.912 1.00 0.00 O ATOM 245 CB TYR A 16 5.866 -6.514 5.484 1.00 0.00 C ATOM 246 CG TYR A 16 7.205 -6.738 4.816 1.00 0.00 C ATOM 247 CD1 TYR A 16 7.350 -7.739 3.845 1.00 0.00 C ATOM 248 CD2 TYR A 16 8.303 -5.945 5.170 1.00 0.00 C ATOM 249 CE1 TYR A 16 8.590 -7.944 3.229 1.00 0.00 C ATOM 250 CE2 TYR A 16 9.544 -6.151 4.554 1.00 0.00 C ATOM 251 CZ TYR A 16 9.687 -7.150 3.583 1.00 0.00 C ATOM 252 OH TYR A 16 10.911 -7.353 2.977 1.00 0.00 O ATOM 0 H TYR A 16 3.582 -5.741 5.721 1.00 0.00 H new ATOM 0 HA TYR A 16 5.026 -7.227 3.602 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.674 -5.446 5.584 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.877 -6.932 6.491 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.504 -8.352 3.572 1.00 0.00 H new ATOM 0 HD2 TYR A 16 8.193 -5.174 5.918 1.00 0.00 H new ATOM 0 HE1 TYR A 16 8.700 -8.715 2.481 1.00 0.00 H new ATOM 0 HE2 TYR A 16 10.391 -5.539 4.828 1.00 0.00 H new ATOM 0 HH TYR A 16 10.818 -7.245 2.007 1.00 0.00 H new ATOM 262 N GLN A 17 5.459 -9.208 5.769 1.00 0.00 N ATOM 263 CA GLN A 17 5.275 -10.606 6.253 1.00 0.00 C ATOM 264 C GLN A 17 4.059 -10.701 7.182 1.00 0.00 C ATOM 265 O GLN A 17 4.190 -10.744 8.389 1.00 0.00 O ATOM 266 CB GLN A 17 6.557 -10.934 7.016 1.00 0.00 C ATOM 267 CG GLN A 17 7.654 -11.326 6.024 1.00 0.00 C ATOM 268 CD GLN A 17 9.017 -10.908 6.576 1.00 0.00 C ATOM 269 OE1 GLN A 17 9.727 -10.141 5.958 1.00 0.00 O ATOM 270 NE2 GLN A 17 9.415 -11.384 7.724 1.00 0.00 N ATOM 0 H GLN A 17 6.368 -8.795 5.978 1.00 0.00 H new ATOM 0 HA GLN A 17 5.097 -11.301 5.432 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.874 -10.072 7.603 1.00 0.00 H new ATOM 0 HB3 GLN A 17 6.377 -11.749 7.717 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.635 -12.402 5.851 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.477 -10.845 5.062 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.819 -12.028 8.243 1.00 0.00 H new ATOM 0 HE22 GLN A 17 10.322 -11.112 8.102 1.00 0.00 H new ATOM 279 N GLY A 18 2.880 -10.738 6.626 1.00 0.00 N ATOM 280 CA GLY A 18 1.654 -10.838 7.467 1.00 0.00 C ATOM 281 C GLY A 18 1.638 -9.712 8.504 1.00 0.00 C ATOM 282 O GLY A 18 1.153 -9.880 9.606 1.00 0.00 O ATOM 0 H GLY A 18 2.712 -10.703 5.621 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.766 -10.777 6.838 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.624 -11.806 7.968 1.00 0.00 H new ATOM 286 N GLU A 19 2.157 -8.565 8.164 1.00 0.00 N ATOM 287 CA GLU A 19 2.162 -7.436 9.139 1.00 0.00 C ATOM 288 C GLU A 19 1.844 -6.119 8.427 1.00 0.00 C ATOM 289 O GLU A 19 2.168 -5.935 7.271 1.00 0.00 O ATOM 290 CB GLU A 19 3.578 -7.408 9.712 1.00 0.00 C ATOM 291 CG GLU A 19 3.572 -6.660 11.047 1.00 0.00 C ATOM 292 CD GLU A 19 4.247 -7.520 12.117 1.00 0.00 C ATOM 293 OE1 GLU A 19 5.458 -7.434 12.242 1.00 0.00 O ATOM 294 OE2 GLU A 19 3.542 -8.252 12.793 1.00 0.00 O ATOM 0 H GLU A 19 2.577 -8.360 7.257 1.00 0.00 H new ATOM 0 HA GLU A 19 1.411 -7.564 9.919 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.945 -8.425 9.854 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.256 -6.919 9.012 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.096 -5.709 10.946 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.548 -6.430 11.343 1.00 0.00 H new ATOM 301 N ARG A 20 1.211 -5.205 9.108 1.00 0.00 N ATOM 302 CA ARG A 20 0.870 -3.900 8.469 1.00 0.00 C ATOM 303 C ARG A 20 1.934 -2.850 8.807 1.00 0.00 C ATOM 304 O ARG A 20 2.451 -2.810 9.906 1.00 0.00 O ATOM 305 CB ARG A 20 -0.482 -3.509 9.067 1.00 0.00 C ATOM 306 CG ARG A 20 -1.536 -4.541 8.661 1.00 0.00 C ATOM 307 CD ARG A 20 -2.763 -4.404 9.564 1.00 0.00 C ATOM 308 NE ARG A 20 -3.310 -5.785 9.682 1.00 0.00 N ATOM 309 CZ ARG A 20 -4.537 -6.035 9.314 1.00 0.00 C ATOM 310 NH1 ARG A 20 -5.533 -5.491 9.957 1.00 0.00 N ATOM 311 NH2 ARG A 20 -4.764 -6.828 8.302 1.00 0.00 N ATOM 0 H ARG A 20 0.914 -5.304 10.079 1.00 0.00 H new ATOM 0 HA ARG A 20 0.830 -3.969 7.382 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.410 -3.455 10.153 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.774 -2.519 8.718 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.821 -4.394 7.619 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.124 -5.547 8.740 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.492 -4.002 10.540 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.497 -3.724 9.132 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.725 -6.535 10.050 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.353 -4.871 10.747 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.492 -5.686 9.670 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.983 -7.251 7.800 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.722 -7.025 8.013 1.00 0.00 H new ATOM 325 N VAL A 21 2.262 -2.000 7.871 1.00 0.00 N ATOM 326 CA VAL A 21 3.292 -0.955 8.140 1.00 0.00 C ATOM 327 C VAL A 21 3.158 0.190 7.134 1.00 0.00 C ATOM 328 O VAL A 21 2.586 0.033 6.073 1.00 0.00 O ATOM 329 CB VAL A 21 4.636 -1.663 7.964 1.00 0.00 C ATOM 330 CG1 VAL A 21 4.894 -2.582 9.159 1.00 0.00 C ATOM 331 CG2 VAL A 21 4.607 -2.496 6.679 1.00 0.00 C ATOM 0 H VAL A 21 1.862 -1.984 6.933 1.00 0.00 H new ATOM 0 HA VAL A 21 3.187 -0.522 9.135 1.00 0.00 H new ATOM 0 HB VAL A 21 5.431 -0.920 7.901 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.852 -3.085 9.031 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.914 -1.991 10.075 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.100 -3.326 9.224 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.564 -3.002 6.551 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.811 -3.238 6.744 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.425 -1.842 5.826 1.00 0.00 H new ATOM 341 N LYS A 22 3.680 1.342 7.457 1.00 0.00 N ATOM 342 CA LYS A 22 3.583 2.494 6.515 1.00 0.00 C ATOM 343 C LYS A 22 4.847 2.580 5.653 1.00 0.00 C ATOM 344 O LYS A 22 5.918 2.894 6.134 1.00 0.00 O ATOM 345 CB LYS A 22 3.457 3.726 7.412 1.00 0.00 C ATOM 346 CG LYS A 22 1.990 3.928 7.800 1.00 0.00 C ATOM 347 CD LYS A 22 1.187 4.341 6.565 1.00 0.00 C ATOM 348 CE LYS A 22 -0.232 4.730 6.984 1.00 0.00 C ATOM 349 NZ LYS A 22 -0.139 6.165 7.373 1.00 0.00 N ATOM 0 H LYS A 22 4.169 1.535 8.331 1.00 0.00 H new ATOM 0 HA LYS A 22 2.740 2.401 5.830 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.067 3.601 8.307 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.831 4.608 6.892 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.584 3.008 8.220 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.909 4.693 8.572 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.673 5.180 6.066 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.154 3.520 5.849 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.938 4.588 6.166 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.580 4.117 7.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.858 6.376 8.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.807 6.359 7.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.301 6.762 6.537 1.00 0.00 H new ATOM 363 N ILE A 23 4.730 2.300 4.384 1.00 0.00 N ATOM 364 CA ILE A 23 5.924 2.364 3.492 1.00 0.00 C ATOM 365 C ILE A 23 6.732 3.631 3.780 1.00 0.00 C ATOM 366 O ILE A 23 7.928 3.678 3.574 1.00 0.00 O ATOM 367 CB ILE A 23 5.356 2.407 2.074 1.00 0.00 C ATOM 368 CG1 ILE A 23 6.506 2.386 1.065 1.00 0.00 C ATOM 369 CG2 ILE A 23 4.541 3.689 1.890 1.00 0.00 C ATOM 370 CD1 ILE A 23 5.940 2.300 -0.354 1.00 0.00 C ATOM 0 H ILE A 23 3.860 2.030 3.926 1.00 0.00 H new ATOM 0 HA ILE A 23 6.594 1.517 3.640 1.00 0.00 H new ATOM 0 HB ILE A 23 4.714 1.541 1.913 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.114 3.285 1.172 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.159 1.535 1.260 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.136 3.720 0.879 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.723 3.706 2.610 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.184 4.555 2.050 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.760 2.285 -1.072 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.351 1.388 -0.456 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.305 3.165 -0.546 1.00 0.00 H new ATOM 382 N GLN A 24 6.085 4.661 4.253 1.00 0.00 N ATOM 383 CA GLN A 24 6.813 5.927 4.551 1.00 0.00 C ATOM 384 C GLN A 24 7.651 5.769 5.822 1.00 0.00 C ATOM 385 O GLN A 24 8.585 6.509 6.058 1.00 0.00 O ATOM 386 CB GLN A 24 5.717 6.972 4.755 1.00 0.00 C ATOM 387 CG GLN A 24 4.814 6.548 5.916 1.00 0.00 C ATOM 388 CD GLN A 24 4.667 7.709 6.901 1.00 0.00 C ATOM 389 OE1 GLN A 24 5.592 8.472 7.101 1.00 0.00 O ATOM 390 NE2 GLN A 24 3.535 7.879 7.528 1.00 0.00 N ATOM 0 H GLN A 24 5.084 4.681 4.446 1.00 0.00 H new ATOM 0 HA GLN A 24 7.500 6.208 3.753 1.00 0.00 H new ATOM 0 HB2 GLN A 24 6.162 7.945 4.964 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.129 7.080 3.844 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.835 6.251 5.539 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.238 5.680 6.421 1.00 0.00 H new ATOM 0 HE21 GLN A 24 2.758 7.239 7.361 1.00 0.00 H new ATOM 0 HE22 GLN A 24 3.427 8.652 8.185 1.00 0.00 H new ATOM 399 N GLU A 25 7.325 4.808 6.639 1.00 0.00 N ATOM 400 CA GLU A 25 8.103 4.602 7.894 1.00 0.00 C ATOM 401 C GLU A 25 8.892 3.291 7.815 1.00 0.00 C ATOM 402 O GLU A 25 10.105 3.284 7.870 1.00 0.00 O ATOM 403 CB GLU A 25 7.053 4.535 9.002 1.00 0.00 C ATOM 404 CG GLU A 25 6.232 5.826 9.004 1.00 0.00 C ATOM 405 CD GLU A 25 6.195 6.409 10.418 1.00 0.00 C ATOM 406 OE1 GLU A 25 6.604 5.715 11.334 1.00 0.00 O ATOM 407 OE2 GLU A 25 5.759 7.539 10.560 1.00 0.00 O ATOM 0 H GLU A 25 6.554 4.156 6.493 1.00 0.00 H new ATOM 0 HA GLU A 25 8.828 5.397 8.070 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.400 3.676 8.848 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.537 4.398 9.969 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.669 6.548 8.314 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.219 5.625 8.656 1.00 0.00 H new ATOM 414 N LYS A 26 8.213 2.184 7.683 1.00 0.00 N ATOM 415 CA LYS A 26 8.931 0.880 7.595 1.00 0.00 C ATOM 416 C LYS A 26 10.088 0.986 6.598 1.00 0.00 C ATOM 417 O LYS A 26 11.143 0.416 6.793 1.00 0.00 O ATOM 418 CB LYS A 26 7.884 -0.117 7.096 1.00 0.00 C ATOM 419 CG LYS A 26 8.211 -1.514 7.629 1.00 0.00 C ATOM 420 CD LYS A 26 9.652 -1.880 7.265 1.00 0.00 C ATOM 421 CE LYS A 26 9.897 -3.360 7.568 1.00 0.00 C ATOM 422 NZ LYS A 26 11.305 -3.610 7.151 1.00 0.00 N ATOM 0 H LYS A 26 7.196 2.126 7.632 1.00 0.00 H new ATOM 0 HA LYS A 26 9.358 0.576 8.551 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.891 0.187 7.427 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.867 -0.127 6.006 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.081 -1.541 8.711 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.522 -2.245 7.207 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.833 -1.680 6.209 1.00 0.00 H new ATOM 0 HD3 LYS A 26 10.349 -1.262 7.831 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.755 -3.575 8.627 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.203 -3.996 7.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.548 -4.606 7.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.409 -3.403 6.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.943 -2.996 7.696 1.00 0.00 H new ATOM 436 N PHE A 27 9.896 1.711 5.530 1.00 0.00 N ATOM 437 CA PHE A 27 10.984 1.855 4.521 1.00 0.00 C ATOM 438 C PHE A 27 11.435 3.316 4.429 1.00 0.00 C ATOM 439 O PHE A 27 11.715 3.821 3.360 1.00 0.00 O ATOM 440 CB PHE A 27 10.362 1.403 3.199 1.00 0.00 C ATOM 441 CG PHE A 27 10.070 -0.079 3.255 1.00 0.00 C ATOM 442 CD1 PHE A 27 11.089 -0.983 3.578 1.00 0.00 C ATOM 443 CD2 PHE A 27 8.779 -0.549 2.981 1.00 0.00 C ATOM 444 CE1 PHE A 27 10.818 -2.357 3.626 1.00 0.00 C ATOM 445 CE2 PHE A 27 8.509 -1.922 3.030 1.00 0.00 C ATOM 446 CZ PHE A 27 9.527 -2.826 3.352 1.00 0.00 C ATOM 0 H PHE A 27 9.033 2.210 5.312 1.00 0.00 H new ATOM 0 HA PHE A 27 11.865 1.268 4.780 1.00 0.00 H new ATOM 0 HB2 PHE A 27 9.443 1.958 3.010 1.00 0.00 H new ATOM 0 HB3 PHE A 27 11.041 1.619 2.374 1.00 0.00 H new ATOM 0 HD1 PHE A 27 12.084 -0.621 3.790 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.992 0.148 2.732 1.00 0.00 H new ATOM 0 HE1 PHE A 27 11.605 -3.054 3.874 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.513 -2.284 2.819 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.318 -3.885 3.389 1.00 0.00 H new ATOM 456 N LYS A 28 11.506 4.001 5.540 1.00 0.00 N ATOM 457 CA LYS A 28 11.941 5.428 5.510 1.00 0.00 C ATOM 458 C LYS A 28 13.125 5.598 4.555 1.00 0.00 C ATOM 459 O LYS A 28 13.260 6.604 3.887 1.00 0.00 O ATOM 460 CB LYS A 28 12.361 5.745 6.945 1.00 0.00 C ATOM 461 CG LYS A 28 11.968 7.182 7.289 1.00 0.00 C ATOM 462 CD LYS A 28 11.061 7.180 8.522 1.00 0.00 C ATOM 463 CE LYS A 28 11.308 8.451 9.340 1.00 0.00 C ATOM 464 NZ LYS A 28 9.974 8.826 9.887 1.00 0.00 N ATOM 0 H LYS A 28 11.282 3.635 6.465 1.00 0.00 H new ATOM 0 HA LYS A 28 11.152 6.093 5.161 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.883 5.051 7.636 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.437 5.615 7.057 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.860 7.779 7.481 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.453 7.642 6.446 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.016 7.128 8.218 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.260 6.298 9.131 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.026 8.271 10.140 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.717 9.247 8.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.064 9.689 10.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.313 8.998 9.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.613 8.053 10.481 1.00 0.00 H new ATOM 478 N ASN A 29 13.987 4.621 4.488 1.00 0.00 N ATOM 479 CA ASN A 29 15.165 4.724 3.580 1.00 0.00 C ATOM 480 C ASN A 29 14.938 3.887 2.317 1.00 0.00 C ATOM 481 O ASN A 29 15.830 3.217 1.836 1.00 0.00 O ATOM 482 CB ASN A 29 16.337 4.174 4.391 1.00 0.00 C ATOM 483 CG ASN A 29 16.887 5.275 5.300 1.00 0.00 C ATOM 484 OD1 ASN A 29 17.975 5.771 5.082 1.00 0.00 O ATOM 485 ND2 ASN A 29 16.175 5.682 6.314 1.00 0.00 N ATOM 0 H ASN A 29 13.927 3.755 5.023 1.00 0.00 H new ATOM 0 HA ASN A 29 15.344 5.747 3.249 1.00 0.00 H new ATOM 0 HB2 ASN A 29 16.012 3.322 4.989 1.00 0.00 H new ATOM 0 HB3 ASN A 29 17.119 3.814 3.722 1.00 0.00 H new ATOM 0 HD21 ASN A 29 16.531 6.417 6.925 1.00 0.00 H new ATOM 0 HD22 ASN A 29 15.262 5.265 6.496 1.00 0.00 H new ATOM 492 N GLY A 30 13.749 3.921 1.777 1.00 0.00 N ATOM 493 CA GLY A 30 13.465 3.131 0.545 1.00 0.00 C ATOM 494 C GLY A 30 13.203 1.671 0.918 1.00 0.00 C ATOM 495 O GLY A 30 13.341 1.278 2.060 1.00 0.00 O ATOM 0 H GLY A 30 12.962 4.462 2.136 1.00 0.00 H new ATOM 0 HA2 GLY A 30 12.600 3.545 0.027 1.00 0.00 H new ATOM 0 HA3 GLY A 30 14.309 3.195 -0.142 1.00 0.00 H new ATOM 499 N MET A 31 12.826 0.864 -0.035 1.00 0.00 N ATOM 500 CA MET A 31 12.556 -0.572 0.267 1.00 0.00 C ATOM 501 C MET A 31 13.703 -1.447 -0.245 1.00 0.00 C ATOM 502 O MET A 31 14.487 -1.036 -1.078 1.00 0.00 O ATOM 503 CB MET A 31 11.260 -0.895 -0.478 1.00 0.00 C ATOM 504 CG MET A 31 10.200 0.154 -0.138 1.00 0.00 C ATOM 505 SD MET A 31 8.669 -0.220 -1.028 1.00 0.00 S ATOM 506 CE MET A 31 8.514 -1.946 -0.505 1.00 0.00 C ATOM 0 H MET A 31 12.693 1.135 -1.009 1.00 0.00 H new ATOM 0 HA MET A 31 12.469 -0.760 1.337 1.00 0.00 H new ATOM 0 HB2 MET A 31 11.440 -0.910 -1.553 1.00 0.00 H new ATOM 0 HB3 MET A 31 10.906 -1.888 -0.200 1.00 0.00 H new ATOM 0 HG2 MET A 31 10.015 0.164 0.936 1.00 0.00 H new ATOM 0 HG3 MET A 31 10.557 1.148 -0.409 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.470 -2.253 -0.568 1.00 0.00 H new ATOM 0 HE2 MET A 31 9.118 -2.579 -1.155 1.00 0.00 H new ATOM 0 HE3 MET A 31 8.861 -2.047 0.523 1.00 0.00 H new ATOM 516 N LEU A 32 13.806 -2.653 0.244 1.00 0.00 N ATOM 517 CA LEU A 32 14.900 -3.553 -0.218 1.00 0.00 C ATOM 518 C LEU A 32 14.558 -4.134 -1.592 1.00 0.00 C ATOM 519 O LEU A 32 13.432 -4.061 -2.042 1.00 0.00 O ATOM 520 CB LEU A 32 14.968 -4.661 0.833 1.00 0.00 C ATOM 521 CG LEU A 32 15.552 -4.099 2.130 1.00 0.00 C ATOM 522 CD1 LEU A 32 14.794 -4.678 3.326 1.00 0.00 C ATOM 523 CD2 LEU A 32 17.031 -4.483 2.234 1.00 0.00 C ATOM 0 H LEU A 32 13.180 -3.053 0.943 1.00 0.00 H new ATOM 0 HA LEU A 32 15.852 -3.032 -0.322 1.00 0.00 H new ATOM 0 HB2 LEU A 32 13.972 -5.065 1.015 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.585 -5.483 0.470 1.00 0.00 H new ATOM 0 HG LEU A 32 15.456 -3.013 2.128 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.211 -4.277 4.250 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.741 -4.406 3.255 1.00 0.00 H new ATOM 0 HD13 LEU A 32 14.889 -5.764 3.326 1.00 0.00 H new ATOM 0 HD21 LEU A 32 17.447 -4.082 3.158 1.00 0.00 H new ATOM 0 HD22 LEU A 32 17.126 -5.569 2.234 1.00 0.00 H new ATOM 0 HD23 LEU A 32 17.574 -4.072 1.383 1.00 0.00 H new ATOM 535 N HIS A 33 15.517 -4.708 -2.263 1.00 0.00 N ATOM 536 CA HIS A 33 15.236 -5.291 -3.607 1.00 0.00 C ATOM 537 C HIS A 33 14.496 -6.623 -3.464 1.00 0.00 C ATOM 538 O HIS A 33 14.748 -7.389 -2.555 1.00 0.00 O ATOM 539 CB HIS A 33 16.609 -5.508 -4.242 1.00 0.00 C ATOM 540 CG HIS A 33 16.462 -6.383 -5.457 1.00 0.00 C ATOM 541 ND1 HIS A 33 16.018 -5.891 -6.674 1.00 0.00 N ATOM 542 CD2 HIS A 33 16.691 -7.723 -5.655 1.00 0.00 C ATOM 543 CE1 HIS A 33 15.993 -6.919 -7.543 1.00 0.00 C ATOM 544 NE2 HIS A 33 16.394 -8.059 -6.972 1.00 0.00 N ATOM 0 H HIS A 33 16.481 -4.799 -1.941 1.00 0.00 H new ATOM 0 HA HIS A 33 14.605 -4.641 -4.213 1.00 0.00 H new ATOM 0 HB2 HIS A 33 17.049 -4.550 -4.520 1.00 0.00 H new ATOM 0 HB3 HIS A 33 17.285 -5.973 -3.524 1.00 0.00 H new ATOM 0 HD2 HIS A 33 17.047 -8.411 -4.903 1.00 0.00 H new ATOM 0 HE1 HIS A 33 15.686 -6.833 -8.575 1.00 0.00 H new ATOM 0 HE2 HIS A 33 16.467 -8.978 -7.408 1.00 0.00 H new ATOM 552 N GLY A 34 13.586 -6.905 -4.355 1.00 0.00 N ATOM 553 CA GLY A 34 12.833 -8.189 -4.272 1.00 0.00 C ATOM 554 C GLY A 34 11.862 -8.145 -3.090 1.00 0.00 C ATOM 555 O GLY A 34 11.237 -9.131 -2.753 1.00 0.00 O ATOM 0 H GLY A 34 13.331 -6.302 -5.137 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.285 -8.360 -5.198 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.527 -9.021 -4.154 1.00 0.00 H new ATOM 559 N ASP A 35 11.727 -7.011 -2.458 1.00 0.00 N ATOM 560 CA ASP A 35 10.791 -6.913 -1.300 1.00 0.00 C ATOM 561 C ASP A 35 9.362 -7.229 -1.749 1.00 0.00 C ATOM 562 O ASP A 35 9.040 -7.169 -2.919 1.00 0.00 O ATOM 563 CB ASP A 35 10.894 -5.461 -0.829 1.00 0.00 C ATOM 564 CG ASP A 35 11.306 -5.432 0.645 1.00 0.00 C ATOM 565 OD1 ASP A 35 11.956 -6.370 1.077 1.00 0.00 O ATOM 566 OD2 ASP A 35 10.964 -4.473 1.317 1.00 0.00 O ATOM 0 H ASP A 35 12.222 -6.150 -2.692 1.00 0.00 H new ATOM 0 HA ASP A 35 11.040 -7.618 -0.507 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.624 -4.922 -1.433 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.937 -4.956 -0.960 1.00 0.00 H new ATOM 571 N LYS A 36 8.501 -7.563 -0.827 1.00 0.00 N ATOM 572 CA LYS A 36 7.092 -7.879 -1.201 1.00 0.00 C ATOM 573 C LYS A 36 6.124 -7.171 -0.251 1.00 0.00 C ATOM 574 O LYS A 36 6.187 -7.336 0.952 1.00 0.00 O ATOM 575 CB LYS A 36 6.969 -9.394 -1.053 1.00 0.00 C ATOM 576 CG LYS A 36 7.437 -10.077 -2.340 1.00 0.00 C ATOM 577 CD LYS A 36 6.237 -10.713 -3.044 1.00 0.00 C ATOM 578 CE LYS A 36 6.683 -11.987 -3.762 1.00 0.00 C ATOM 579 NZ LYS A 36 5.452 -12.508 -4.419 1.00 0.00 N ATOM 0 H LYS A 36 8.711 -7.631 0.169 1.00 0.00 H new ATOM 0 HA LYS A 36 6.851 -7.548 -2.211 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.568 -9.737 -0.209 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.935 -9.666 -0.841 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.915 -9.350 -2.997 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.183 -10.838 -2.110 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.458 -10.946 -2.318 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.808 -10.011 -3.759 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.462 -11.776 -4.494 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.094 -12.713 -3.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.677 -13.383 -4.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.730 -12.706 -3.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.088 -11.798 -5.086 1.00 0.00 H new ATOM 593 N VAL A 37 5.231 -6.383 -0.780 1.00 0.00 N ATOM 594 CA VAL A 37 4.260 -5.663 0.093 1.00 0.00 C ATOM 595 C VAL A 37 2.873 -5.636 -0.559 1.00 0.00 C ATOM 596 O VAL A 37 2.740 -5.399 -1.742 1.00 0.00 O ATOM 597 CB VAL A 37 4.819 -4.247 0.217 1.00 0.00 C ATOM 598 CG1 VAL A 37 6.258 -4.312 0.731 1.00 0.00 C ATOM 599 CG2 VAL A 37 4.799 -3.571 -1.156 1.00 0.00 C ATOM 0 H VAL A 37 5.131 -6.206 -1.779 1.00 0.00 H new ATOM 0 HA VAL A 37 4.143 -6.145 1.064 1.00 0.00 H new ATOM 0 HB VAL A 37 4.209 -3.674 0.915 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.659 -3.302 0.820 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.274 -4.796 1.707 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.868 -4.884 0.032 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.198 -2.560 -1.070 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.411 -4.144 -1.853 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.774 -3.527 -1.525 1.00 0.00 H new ATOM 609 N SER A 38 1.842 -5.872 0.204 1.00 0.00 N ATOM 610 CA SER A 38 0.467 -5.855 -0.376 1.00 0.00 C ATOM 611 C SER A 38 -0.230 -4.533 -0.042 1.00 0.00 C ATOM 612 O SER A 38 -0.023 -3.959 1.009 1.00 0.00 O ATOM 613 CB SER A 38 -0.259 -7.023 0.289 1.00 0.00 C ATOM 614 OG SER A 38 0.689 -8.014 0.663 1.00 0.00 O ATOM 0 H SER A 38 1.890 -6.076 1.202 1.00 0.00 H new ATOM 0 HA SER A 38 0.476 -5.946 -1.462 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.804 -6.675 1.167 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.994 -7.446 -0.396 1.00 0.00 H new ATOM 0 HG SER A 38 0.577 -8.805 0.095 1.00 0.00 H new ATOM 620 N PHE A 39 -1.057 -4.045 -0.924 1.00 0.00 N ATOM 621 CA PHE A 39 -1.766 -2.761 -0.649 1.00 0.00 C ATOM 622 C PHE A 39 -3.231 -3.035 -0.297 1.00 0.00 C ATOM 623 O PHE A 39 -3.852 -3.923 -0.841 1.00 0.00 O ATOM 624 CB PHE A 39 -1.662 -1.965 -1.950 1.00 0.00 C ATOM 625 CG PHE A 39 -0.268 -1.399 -2.080 1.00 0.00 C ATOM 626 CD1 PHE A 39 0.765 -2.191 -2.593 1.00 0.00 C ATOM 627 CD2 PHE A 39 -0.011 -0.081 -1.685 1.00 0.00 C ATOM 628 CE1 PHE A 39 2.057 -1.665 -2.712 1.00 0.00 C ATOM 629 CE2 PHE A 39 1.280 0.445 -1.805 1.00 0.00 C ATOM 630 CZ PHE A 39 2.315 -0.347 -2.319 1.00 0.00 C ATOM 0 H PHE A 39 -1.273 -4.478 -1.822 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.334 -2.219 0.192 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.887 -2.607 -2.801 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.396 -1.159 -1.956 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.566 -3.208 -2.897 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.809 0.529 -1.288 1.00 0.00 H new ATOM 0 HE1 PHE A 39 2.855 -2.277 -3.107 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.479 1.462 -1.501 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.311 0.059 -2.412 1.00 0.00 H new ATOM 640 N PHE A 40 -3.790 -2.285 0.610 1.00 0.00 N ATOM 641 CA PHE A 40 -5.212 -2.525 0.986 1.00 0.00 C ATOM 642 C PHE A 40 -6.148 -1.909 -0.054 1.00 0.00 C ATOM 643 O PHE A 40 -5.965 -0.789 -0.484 1.00 0.00 O ATOM 644 CB PHE A 40 -5.390 -1.837 2.340 1.00 0.00 C ATOM 645 CG PHE A 40 -4.934 -2.763 3.441 1.00 0.00 C ATOM 646 CD1 PHE A 40 -5.563 -3.999 3.621 1.00 0.00 C ATOM 647 CD2 PHE A 40 -3.881 -2.384 4.282 1.00 0.00 C ATOM 648 CE1 PHE A 40 -5.140 -4.859 4.642 1.00 0.00 C ATOM 649 CE2 PHE A 40 -3.457 -3.243 5.303 1.00 0.00 C ATOM 650 CZ PHE A 40 -4.086 -4.481 5.483 1.00 0.00 C ATOM 0 H PHE A 40 -3.329 -1.521 1.105 1.00 0.00 H new ATOM 0 HA PHE A 40 -5.448 -3.588 1.035 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -4.815 -0.912 2.368 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.436 -1.567 2.488 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -6.376 -4.290 2.972 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -3.396 -1.429 4.143 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.626 -5.813 4.781 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.645 -2.951 5.952 1.00 0.00 H new ATOM 0 HZ PHE A 40 -3.758 -5.144 6.270 1.00 0.00 H new ATOM 660 N CYS A 41 -7.151 -2.637 -0.459 1.00 0.00 N ATOM 661 CA CYS A 41 -8.105 -2.102 -1.471 1.00 0.00 C ATOM 662 C CYS A 41 -9.535 -2.512 -1.111 1.00 0.00 C ATOM 663 O CYS A 41 -9.758 -3.287 -0.202 1.00 0.00 O ATOM 664 CB CYS A 41 -7.680 -2.748 -2.789 1.00 0.00 C ATOM 665 SG CYS A 41 -7.584 -1.488 -4.084 1.00 0.00 S ATOM 0 H CYS A 41 -7.352 -3.582 -0.132 1.00 0.00 H new ATOM 0 HA CYS A 41 -8.088 -1.013 -1.525 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.712 -3.236 -2.671 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.394 -3.521 -3.073 1.00 0.00 H new ATOM 670 N LYS A 42 -10.506 -2.004 -1.819 1.00 0.00 N ATOM 671 CA LYS A 42 -11.918 -2.373 -1.517 1.00 0.00 C ATOM 672 C LYS A 42 -12.558 -3.062 -2.722 1.00 0.00 C ATOM 673 O LYS A 42 -12.272 -2.742 -3.859 1.00 0.00 O ATOM 674 CB LYS A 42 -12.625 -1.055 -1.213 1.00 0.00 C ATOM 675 CG LYS A 42 -12.415 -0.071 -2.367 1.00 0.00 C ATOM 676 CD LYS A 42 -13.119 1.247 -2.041 1.00 0.00 C ATOM 677 CE LYS A 42 -12.187 2.127 -1.206 1.00 0.00 C ATOM 678 NZ LYS A 42 -12.434 3.513 -1.691 1.00 0.00 N ATOM 0 H LYS A 42 -10.383 -1.350 -2.592 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.987 -3.070 -0.682 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.690 -1.230 -1.063 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.238 -0.630 -0.287 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.350 0.101 -2.524 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.810 -0.489 -3.293 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.396 1.762 -2.961 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.042 1.054 -1.494 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.405 2.036 -0.142 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.144 1.840 -1.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.830 4.177 -1.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.211 3.571 -2.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.433 3.760 -1.541 1.00 0.00 H new ATOM 692 N ASN A 43 -13.420 -4.007 -2.477 1.00 0.00 N ATOM 693 CA ASN A 43 -14.081 -4.725 -3.604 1.00 0.00 C ATOM 694 C ASN A 43 -15.549 -4.306 -3.713 1.00 0.00 C ATOM 695 O ASN A 43 -16.266 -4.257 -2.733 1.00 0.00 O ATOM 696 CB ASN A 43 -13.975 -6.208 -3.250 1.00 0.00 C ATOM 697 CG ASN A 43 -14.597 -7.046 -4.370 1.00 0.00 C ATOM 698 OD1 ASN A 43 -15.200 -6.513 -5.280 1.00 0.00 O ATOM 699 ND2 ASN A 43 -14.474 -8.345 -4.341 1.00 0.00 N ATOM 0 H ASN A 43 -13.697 -4.315 -1.545 1.00 0.00 H new ATOM 0 HA ASN A 43 -13.614 -4.500 -4.563 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.930 -6.486 -3.111 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -14.486 -6.405 -2.307 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -14.884 -8.913 -5.082 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -13.968 -8.792 -3.577 1.00 0.00 H new ATOM 706 N LYS A 44 -16.000 -4.006 -4.900 1.00 0.00 N ATOM 707 CA LYS A 44 -17.421 -3.593 -5.076 1.00 0.00 C ATOM 708 C LYS A 44 -18.298 -4.824 -5.314 1.00 0.00 C ATOM 709 O LYS A 44 -19.456 -4.856 -4.948 1.00 0.00 O ATOM 710 CB LYS A 44 -17.418 -2.689 -6.308 1.00 0.00 C ATOM 711 CG LYS A 44 -17.810 -1.268 -5.902 1.00 0.00 C ATOM 712 CD LYS A 44 -16.571 -0.372 -5.917 1.00 0.00 C ATOM 713 CE LYS A 44 -16.985 1.070 -6.218 1.00 0.00 C ATOM 714 NZ LYS A 44 -17.003 1.748 -4.892 1.00 0.00 N ATOM 0 H LYS A 44 -15.446 -4.029 -5.756 1.00 0.00 H new ATOM 0 HA LYS A 44 -17.819 -3.083 -4.198 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -16.430 -2.687 -6.768 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -18.116 -3.071 -7.053 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -18.562 -0.877 -6.587 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -18.256 -1.273 -4.908 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -16.062 -0.422 -4.954 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.865 -0.723 -6.669 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -16.281 1.550 -6.897 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -17.964 1.109 -6.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -17.279 2.743 -5.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.687 1.274 -4.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.056 1.701 -4.465 1.00 0.00 H new ATOM 728 N GLU A 45 -17.752 -5.840 -5.924 1.00 0.00 N ATOM 729 CA GLU A 45 -18.550 -7.072 -6.187 1.00 0.00 C ATOM 730 C GLU A 45 -18.819 -7.814 -4.875 1.00 0.00 C ATOM 731 O GLU A 45 -19.857 -8.421 -4.695 1.00 0.00 O ATOM 732 CB GLU A 45 -17.674 -7.918 -7.112 1.00 0.00 C ATOM 733 CG GLU A 45 -18.269 -7.916 -8.522 1.00 0.00 C ATOM 734 CD GLU A 45 -19.464 -8.870 -8.572 1.00 0.00 C ATOM 735 OE1 GLU A 45 -19.239 -10.062 -8.711 1.00 0.00 O ATOM 736 OE2 GLU A 45 -20.582 -8.394 -8.472 1.00 0.00 O ATOM 0 H GLU A 45 -16.787 -5.871 -6.252 1.00 0.00 H new ATOM 0 HA GLU A 45 -19.520 -6.852 -6.633 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.659 -7.520 -7.133 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.608 -8.939 -6.735 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -18.583 -6.908 -8.795 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.515 -8.222 -9.247 1.00 0.00 H new ATOM 743 N LYS A 46 -17.891 -7.771 -3.958 1.00 0.00 N ATOM 744 CA LYS A 46 -18.093 -8.474 -2.658 1.00 0.00 C ATOM 745 C LYS A 46 -18.265 -7.456 -1.528 1.00 0.00 C ATOM 746 O LYS A 46 -18.641 -7.798 -0.425 1.00 0.00 O ATOM 747 CB LYS A 46 -16.825 -9.299 -2.452 1.00 0.00 C ATOM 748 CG LYS A 46 -16.700 -10.332 -3.572 1.00 0.00 C ATOM 749 CD LYS A 46 -16.844 -11.739 -2.989 1.00 0.00 C ATOM 750 CE LYS A 46 -18.060 -12.428 -3.611 1.00 0.00 C ATOM 751 NZ LYS A 46 -19.137 -12.306 -2.588 1.00 0.00 N ATOM 0 H LYS A 46 -17.002 -7.280 -4.052 1.00 0.00 H new ATOM 0 HA LYS A 46 -18.987 -9.098 -2.660 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -15.952 -8.647 -2.445 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -16.857 -9.799 -1.484 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -17.467 -10.160 -4.327 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -15.735 -10.230 -4.069 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -15.943 -12.320 -3.187 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -16.958 -11.685 -1.906 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -18.349 -11.950 -4.547 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -17.848 -13.473 -3.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -20.005 -12.756 -2.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -18.837 -12.776 -1.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -19.322 -11.301 -2.397 1.00 0.00 H new ATOM 765 N LYS A 47 -17.997 -6.208 -1.801 1.00 0.00 N ATOM 766 CA LYS A 47 -18.147 -5.152 -0.758 1.00 0.00 C ATOM 767 C LYS A 47 -17.152 -5.366 0.388 1.00 0.00 C ATOM 768 O LYS A 47 -17.408 -5.005 1.518 1.00 0.00 O ATOM 769 CB LYS A 47 -19.583 -5.281 -0.248 1.00 0.00 C ATOM 770 CG LYS A 47 -20.555 -5.337 -1.430 1.00 0.00 C ATOM 771 CD LYS A 47 -21.042 -3.924 -1.758 1.00 0.00 C ATOM 772 CE LYS A 47 -22.572 -3.905 -1.784 1.00 0.00 C ATOM 773 NZ LYS A 47 -22.936 -2.471 -1.952 1.00 0.00 N ATOM 0 H LYS A 47 -17.678 -5.872 -2.710 1.00 0.00 H new ATOM 0 HA LYS A 47 -17.946 -4.161 -1.164 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -19.683 -6.181 0.359 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -19.827 -4.435 0.394 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -20.063 -5.774 -2.299 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -21.403 -5.978 -1.187 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -20.671 -3.218 -1.014 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -20.647 -3.607 -2.723 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -22.960 -4.510 -2.604 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -22.988 -4.313 -0.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -23.971 -2.376 -1.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -22.559 -1.921 -1.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -22.533 -2.112 -2.841 1.00 0.00 H new ATOM 787 N CYS A 48 -16.013 -5.938 0.106 1.00 0.00 N ATOM 788 CA CYS A 48 -15.001 -6.154 1.184 1.00 0.00 C ATOM 789 C CYS A 48 -13.637 -5.668 0.703 1.00 0.00 C ATOM 790 O CYS A 48 -13.429 -5.446 -0.473 1.00 0.00 O ATOM 791 CB CYS A 48 -14.932 -7.666 1.479 1.00 0.00 C ATOM 792 SG CYS A 48 -16.243 -8.592 0.626 1.00 0.00 S ATOM 0 H CYS A 48 -15.738 -6.265 -0.820 1.00 0.00 H new ATOM 0 HA CYS A 48 -15.279 -5.604 2.083 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -13.959 -8.050 1.172 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -15.015 -7.829 2.554 1.00 0.00 H new ATOM 797 N SER A 49 -12.703 -5.504 1.595 1.00 0.00 N ATOM 798 CA SER A 49 -11.357 -5.039 1.169 1.00 0.00 C ATOM 799 C SER A 49 -10.383 -6.216 1.116 1.00 0.00 C ATOM 800 O SER A 49 -10.680 -7.303 1.572 1.00 0.00 O ATOM 801 CB SER A 49 -10.930 -4.031 2.230 1.00 0.00 C ATOM 802 OG SER A 49 -11.050 -4.625 3.516 1.00 0.00 O ATOM 0 H SER A 49 -12.812 -5.671 2.595 1.00 0.00 H new ATOM 0 HA SER A 49 -11.369 -4.596 0.173 1.00 0.00 H new ATOM 0 HB2 SER A 49 -9.901 -3.717 2.056 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.551 -3.137 2.170 1.00 0.00 H new ATOM 0 HG SER A 49 -10.217 -4.494 4.016 1.00 0.00 H new ATOM 808 N TYR A 50 -9.225 -6.005 0.560 1.00 0.00 N ATOM 809 CA TYR A 50 -8.225 -7.105 0.472 1.00 0.00 C ATOM 810 C TYR A 50 -6.828 -6.523 0.246 1.00 0.00 C ATOM 811 O TYR A 50 -6.660 -5.327 0.112 1.00 0.00 O ATOM 812 CB TYR A 50 -8.664 -7.946 -0.728 1.00 0.00 C ATOM 813 CG TYR A 50 -8.909 -7.046 -1.916 1.00 0.00 C ATOM 814 CD1 TYR A 50 -10.162 -6.447 -2.095 1.00 0.00 C ATOM 815 CD2 TYR A 50 -7.883 -6.813 -2.840 1.00 0.00 C ATOM 816 CE1 TYR A 50 -10.389 -5.615 -3.200 1.00 0.00 C ATOM 817 CE2 TYR A 50 -8.110 -5.981 -3.943 1.00 0.00 C ATOM 818 CZ TYR A 50 -9.362 -5.382 -4.124 1.00 0.00 C ATOM 819 OH TYR A 50 -9.586 -4.563 -5.211 1.00 0.00 O ATOM 0 H TYR A 50 -8.926 -5.115 0.161 1.00 0.00 H new ATOM 0 HA TYR A 50 -8.177 -7.700 1.384 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -7.897 -8.682 -0.969 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -9.571 -8.499 -0.485 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -10.953 -6.626 -1.382 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.917 -7.275 -2.702 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -11.356 -5.154 -3.339 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -7.318 -5.801 -4.655 1.00 0.00 H new ATOM 0 HH TYR A 50 -8.731 -4.211 -5.537 1.00 0.00 H new ATOM 829 N THR A 51 -5.823 -7.352 0.202 1.00 0.00 N ATOM 830 CA THR A 51 -4.445 -6.826 -0.014 1.00 0.00 C ATOM 831 C THR A 51 -3.947 -7.182 -1.414 1.00 0.00 C ATOM 832 O THR A 51 -4.239 -8.236 -1.944 1.00 0.00 O ATOM 833 CB THR A 51 -3.578 -7.508 1.044 1.00 0.00 C ATOM 834 OG1 THR A 51 -3.758 -8.915 0.965 1.00 0.00 O ATOM 835 CG2 THR A 51 -3.980 -7.014 2.434 1.00 0.00 C ATOM 0 H THR A 51 -5.894 -8.364 0.305 1.00 0.00 H new ATOM 0 HA THR A 51 -4.412 -5.740 0.069 1.00 0.00 H new ATOM 0 HB THR A 51 -2.530 -7.266 0.867 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.202 -9.354 1.641 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.361 -7.502 3.187 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.839 -5.935 2.491 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.028 -7.253 2.616 1.00 0.00 H new ATOM 843 N GLU A 52 -3.185 -6.310 -2.009 1.00 0.00 N ATOM 844 CA GLU A 52 -2.645 -6.585 -3.370 1.00 0.00 C ATOM 845 C GLU A 52 -1.124 -6.723 -3.295 1.00 0.00 C ATOM 846 O GLU A 52 -0.395 -5.756 -3.393 1.00 0.00 O ATOM 847 CB GLU A 52 -3.040 -5.370 -4.211 1.00 0.00 C ATOM 848 CG GLU A 52 -4.564 -5.319 -4.352 1.00 0.00 C ATOM 849 CD GLU A 52 -5.007 -6.277 -5.461 1.00 0.00 C ATOM 850 OE1 GLU A 52 -4.787 -5.954 -6.618 1.00 0.00 O ATOM 851 OE2 GLU A 52 -5.559 -7.315 -5.135 1.00 0.00 O ATOM 0 H GLU A 52 -2.911 -5.413 -1.609 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.034 -7.509 -3.799 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.677 -4.456 -3.741 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.575 -5.429 -5.195 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.036 -5.594 -3.409 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.884 -4.303 -4.585 1.00 0.00 H new ATOM 858 N ASP A 53 -0.643 -7.918 -3.099 1.00 0.00 N ATOM 859 CA ASP A 53 0.829 -8.123 -2.991 1.00 0.00 C ATOM 860 C ASP A 53 1.580 -7.334 -4.065 1.00 0.00 C ATOM 861 O ASP A 53 1.142 -7.211 -5.192 1.00 0.00 O ATOM 862 CB ASP A 53 1.044 -9.620 -3.192 1.00 0.00 C ATOM 863 CG ASP A 53 0.218 -10.398 -2.167 1.00 0.00 C ATOM 864 OD1 ASP A 53 0.453 -10.214 -0.984 1.00 0.00 O ATOM 865 OD2 ASP A 53 -0.635 -11.165 -2.582 1.00 0.00 O ATOM 0 H ASP A 53 -1.206 -8.764 -3.009 1.00 0.00 H new ATOM 0 HA ASP A 53 1.207 -7.775 -2.029 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.753 -9.907 -4.202 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.101 -9.864 -3.083 1.00 0.00 H new ATOM 870 N ALA A 54 2.721 -6.818 -3.712 1.00 0.00 N ATOM 871 CA ALA A 54 3.543 -6.043 -4.685 1.00 0.00 C ATOM 872 C ALA A 54 4.998 -6.514 -4.600 1.00 0.00 C ATOM 873 O ALA A 54 5.358 -7.271 -3.721 1.00 0.00 O ATOM 874 CB ALA A 54 3.421 -4.585 -4.240 1.00 0.00 C ATOM 0 H ALA A 54 3.126 -6.900 -2.780 1.00 0.00 H new ATOM 0 HA ALA A 54 3.214 -6.173 -5.716 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.001 -3.950 -4.910 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.374 -4.282 -4.269 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.800 -4.482 -3.223 1.00 0.00 H new ATOM 880 N GLN A 55 5.838 -6.084 -5.500 1.00 0.00 N ATOM 881 CA GLN A 55 7.260 -6.530 -5.446 1.00 0.00 C ATOM 882 C GLN A 55 8.207 -5.359 -5.720 1.00 0.00 C ATOM 883 O GLN A 55 7.919 -4.485 -6.512 1.00 0.00 O ATOM 884 CB GLN A 55 7.384 -7.588 -6.543 1.00 0.00 C ATOM 885 CG GLN A 55 8.563 -8.511 -6.228 1.00 0.00 C ATOM 886 CD GLN A 55 8.674 -9.585 -7.313 1.00 0.00 C ATOM 887 OE1 GLN A 55 7.891 -9.610 -8.240 1.00 0.00 O ATOM 888 NE2 GLN A 55 9.623 -10.477 -7.234 1.00 0.00 N ATOM 0 H GLN A 55 5.606 -5.449 -6.264 1.00 0.00 H new ATOM 0 HA GLN A 55 7.527 -6.922 -4.464 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.463 -8.167 -6.611 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.532 -7.109 -7.511 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.486 -7.934 -6.176 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.423 -8.977 -5.253 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.280 -10.455 -6.454 1.00 0.00 H new ATOM 0 HE22 GLN A 55 9.708 -11.197 -7.952 1.00 0.00 H new ATOM 897 N CYS A 56 9.338 -5.342 -5.069 1.00 0.00 N ATOM 898 CA CYS A 56 10.310 -4.238 -5.288 1.00 0.00 C ATOM 899 C CYS A 56 11.430 -4.706 -6.220 1.00 0.00 C ATOM 900 O CYS A 56 11.771 -5.872 -6.261 1.00 0.00 O ATOM 901 CB CYS A 56 10.859 -3.921 -3.899 1.00 0.00 C ATOM 902 SG CYS A 56 10.673 -2.152 -3.566 1.00 0.00 S ATOM 0 H CYS A 56 9.630 -6.048 -4.393 1.00 0.00 H new ATOM 0 HA CYS A 56 9.855 -3.364 -5.754 1.00 0.00 H new ATOM 0 HB2 CYS A 56 10.328 -4.502 -3.145 1.00 0.00 H new ATOM 0 HB3 CYS A 56 11.910 -4.205 -3.838 1.00 0.00 H new ATOM 907 N ILE A 57 12.001 -3.808 -6.973 1.00 0.00 N ATOM 908 CA ILE A 57 13.092 -4.202 -7.908 1.00 0.00 C ATOM 909 C ILE A 57 14.208 -3.153 -7.897 1.00 0.00 C ATOM 910 O ILE A 57 14.136 -2.158 -7.203 1.00 0.00 O ATOM 911 CB ILE A 57 12.428 -4.267 -9.285 1.00 0.00 C ATOM 912 CG1 ILE A 57 11.106 -5.031 -9.182 1.00 0.00 C ATOM 913 CG2 ILE A 57 13.354 -4.990 -10.264 1.00 0.00 C ATOM 914 CD1 ILE A 57 11.389 -6.510 -8.921 1.00 0.00 C ATOM 0 H ILE A 57 11.759 -2.817 -6.982 1.00 0.00 H new ATOM 0 HA ILE A 57 13.550 -5.151 -7.630 1.00 0.00 H new ATOM 0 HB ILE A 57 12.237 -3.255 -9.641 1.00 0.00 H new ATOM 0 HG12 ILE A 57 10.498 -4.619 -8.377 1.00 0.00 H new ATOM 0 HG13 ILE A 57 10.535 -4.916 -10.103 1.00 0.00 H new ATOM 0 HG21 ILE A 57 12.881 -5.037 -11.245 1.00 0.00 H new ATOM 0 HG22 ILE A 57 14.297 -4.448 -10.341 1.00 0.00 H new ATOM 0 HG23 ILE A 57 13.545 -6.001 -9.905 1.00 0.00 H new ATOM 0 HD11 ILE A 57 10.447 -7.053 -8.848 1.00 0.00 H new ATOM 0 HD12 ILE A 57 11.980 -6.918 -9.741 1.00 0.00 H new ATOM 0 HD13 ILE A 57 11.942 -6.615 -7.988 1.00 0.00 H new ATOM 926 N ASP A 58 15.241 -3.374 -8.662 1.00 0.00 N ATOM 927 CA ASP A 58 16.372 -2.402 -8.704 1.00 0.00 C ATOM 928 C ASP A 58 15.859 -0.958 -8.700 1.00 0.00 C ATOM 929 O ASP A 58 15.573 -0.388 -9.733 1.00 0.00 O ATOM 930 CB ASP A 58 17.095 -2.702 -10.013 1.00 0.00 C ATOM 931 CG ASP A 58 18.514 -2.132 -9.955 1.00 0.00 C ATOM 932 OD1 ASP A 58 18.651 -0.973 -9.599 1.00 0.00 O ATOM 933 OD2 ASP A 58 19.438 -2.865 -10.267 1.00 0.00 O ATOM 0 H ASP A 58 15.352 -4.190 -9.263 1.00 0.00 H new ATOM 0 HA ASP A 58 17.022 -2.501 -7.835 1.00 0.00 H new ATOM 0 HB2 ASP A 58 17.131 -3.778 -10.183 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.550 -2.265 -10.850 1.00 0.00 H new ATOM 938 N GLY A 59 15.754 -0.362 -7.545 1.00 0.00 N ATOM 939 CA GLY A 59 15.277 1.048 -7.465 1.00 0.00 C ATOM 940 C GLY A 59 14.005 1.235 -8.297 1.00 0.00 C ATOM 941 O GLY A 59 13.659 2.337 -8.671 1.00 0.00 O ATOM 0 H GLY A 59 15.979 -0.793 -6.648 1.00 0.00 H new ATOM 0 HA2 GLY A 59 15.081 1.313 -6.426 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.055 1.722 -7.824 1.00 0.00 H new ATOM 945 N THR A 60 13.299 0.176 -8.590 1.00 0.00 N ATOM 946 CA THR A 60 12.051 0.324 -9.394 1.00 0.00 C ATOM 947 C THR A 60 10.935 -0.547 -8.817 1.00 0.00 C ATOM 948 O THR A 60 11.148 -1.677 -8.438 1.00 0.00 O ATOM 949 CB THR A 60 12.418 -0.147 -10.799 1.00 0.00 C ATOM 950 OG1 THR A 60 13.556 0.570 -11.257 1.00 0.00 O ATOM 951 CG2 THR A 60 11.239 0.097 -11.744 1.00 0.00 C ATOM 0 H THR A 60 13.529 -0.777 -8.310 1.00 0.00 H new ATOM 0 HA THR A 60 11.686 1.351 -9.390 1.00 0.00 H new ATOM 0 HB THR A 60 12.648 -1.212 -10.778 1.00 0.00 H new ATOM 0 HG1 THR A 60 14.366 0.188 -10.858 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.501 -0.239 -12.747 1.00 0.00 H new ATOM 0 HG22 THR A 60 10.369 -0.457 -11.391 1.00 0.00 H new ATOM 0 HG23 THR A 60 11.006 1.162 -11.768 1.00 0.00 H new ATOM 959 N ILE A 61 9.742 -0.028 -8.759 1.00 0.00 N ATOM 960 CA ILE A 61 8.604 -0.826 -8.216 1.00 0.00 C ATOM 961 C ILE A 61 7.305 -0.419 -8.914 1.00 0.00 C ATOM 962 O ILE A 61 7.073 0.741 -9.190 1.00 0.00 O ATOM 963 CB ILE A 61 8.548 -0.497 -6.719 1.00 0.00 C ATOM 964 CG1 ILE A 61 7.177 -0.890 -6.159 1.00 0.00 C ATOM 965 CG2 ILE A 61 8.772 1.002 -6.505 1.00 0.00 C ATOM 966 CD1 ILE A 61 7.363 -1.767 -4.921 1.00 0.00 C ATOM 0 H ILE A 61 9.503 0.916 -9.064 1.00 0.00 H new ATOM 0 HA ILE A 61 8.734 -1.896 -8.380 1.00 0.00 H new ATOM 0 HB ILE A 61 9.329 -1.055 -6.202 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.608 0.003 -5.902 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.604 -1.427 -6.915 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.731 1.228 -5.439 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.749 1.284 -6.898 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.996 1.564 -7.025 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.387 -2.046 -4.523 1.00 0.00 H new ATOM 0 HD12 ILE A 61 7.915 -2.667 -5.192 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.919 -1.214 -4.164 1.00 0.00 H new ATOM 978 N GLU A 62 6.460 -1.366 -9.205 1.00 0.00 N ATOM 979 CA GLU A 62 5.178 -1.036 -9.893 1.00 0.00 C ATOM 980 C GLU A 62 4.033 -0.977 -8.881 1.00 0.00 C ATOM 981 O GLU A 62 3.825 -1.891 -8.108 1.00 0.00 O ATOM 982 CB GLU A 62 4.956 -2.177 -10.886 1.00 0.00 C ATOM 983 CG GLU A 62 6.241 -2.413 -11.682 1.00 0.00 C ATOM 984 CD GLU A 62 6.681 -1.104 -12.338 1.00 0.00 C ATOM 985 OE1 GLU A 62 5.856 -0.483 -12.989 1.00 0.00 O ATOM 986 OE2 GLU A 62 7.834 -0.742 -12.178 1.00 0.00 O ATOM 0 H GLU A 62 6.599 -2.355 -8.997 1.00 0.00 H new ATOM 0 HA GLU A 62 5.214 -0.065 -10.388 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.671 -3.086 -10.355 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.136 -1.932 -11.561 1.00 0.00 H new ATOM 0 HG2 GLU A 62 7.026 -2.784 -11.024 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.075 -3.176 -12.443 1.00 0.00 H new ATOM 993 N VAL A 63 3.287 0.092 -8.882 1.00 0.00 N ATOM 994 CA VAL A 63 2.153 0.208 -7.923 1.00 0.00 C ATOM 995 C VAL A 63 0.901 -0.460 -8.511 1.00 0.00 C ATOM 996 O VAL A 63 0.567 -0.229 -9.657 1.00 0.00 O ATOM 997 CB VAL A 63 1.930 1.710 -7.757 1.00 0.00 C ATOM 998 CG1 VAL A 63 0.782 1.951 -6.776 1.00 0.00 C ATOM 999 CG2 VAL A 63 3.207 2.360 -7.217 1.00 0.00 C ATOM 0 H VAL A 63 3.413 0.890 -9.505 1.00 0.00 H new ATOM 0 HA VAL A 63 2.360 -0.280 -6.971 1.00 0.00 H new ATOM 0 HB VAL A 63 1.680 2.148 -8.723 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.623 3.023 -6.658 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.128 1.490 -7.160 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.031 1.512 -5.810 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.048 3.432 -7.099 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.458 1.922 -6.251 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.026 2.190 -7.916 1.00 0.00 H new ATOM 1009 N PRO A 64 0.243 -1.271 -7.717 1.00 0.00 N ATOM 1010 CA PRO A 64 -0.978 -1.966 -8.189 1.00 0.00 C ATOM 1011 C PRO A 64 -2.058 -0.951 -8.575 1.00 0.00 C ATOM 1012 O PRO A 64 -2.407 -0.076 -7.807 1.00 0.00 O ATOM 1013 CB PRO A 64 -1.395 -2.786 -6.964 1.00 0.00 C ATOM 1014 CG PRO A 64 -0.382 -2.533 -5.830 1.00 0.00 C ATOM 1015 CD PRO A 64 0.672 -1.532 -6.324 1.00 0.00 C ATOM 0 HA PRO A 64 -0.821 -2.578 -9.077 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -2.398 -2.504 -6.644 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.426 -3.847 -7.213 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -0.891 -2.141 -4.949 1.00 0.00 H new ATOM 0 HG3 PRO A 64 0.094 -3.468 -5.534 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.678 -0.622 -5.725 1.00 0.00 H new ATOM 0 HD3 PRO A 64 1.678 -1.949 -6.281 1.00 0.00 H new ATOM 1023 N LYS A 65 -2.586 -1.058 -9.765 1.00 0.00 N ATOM 1024 CA LYS A 65 -3.638 -0.098 -10.207 1.00 0.00 C ATOM 1025 C LYS A 65 -4.712 0.058 -9.125 1.00 0.00 C ATOM 1026 O LYS A 65 -5.386 1.065 -9.050 1.00 0.00 O ATOM 1027 CB LYS A 65 -4.234 -0.720 -11.471 1.00 0.00 C ATOM 1028 CG LYS A 65 -3.814 0.103 -12.690 1.00 0.00 C ATOM 1029 CD LYS A 65 -4.413 -0.516 -13.955 1.00 0.00 C ATOM 1030 CE LYS A 65 -5.085 0.579 -14.789 1.00 0.00 C ATOM 1031 NZ LYS A 65 -5.853 -0.151 -15.835 1.00 0.00 N ATOM 0 H LYS A 65 -2.334 -1.770 -10.451 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.234 0.897 -10.392 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.893 -1.750 -11.579 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.321 -0.751 -11.396 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.153 1.133 -12.581 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.727 0.131 -12.766 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.633 -1.005 -14.538 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.140 -1.283 -13.688 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.742 1.196 -14.175 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.346 1.245 -15.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -6.342 0.533 -16.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.201 -0.724 -16.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.553 -0.772 -15.382 1.00 0.00 H new ATOM 1045 N CYS A 66 -4.875 -0.930 -8.286 1.00 0.00 N ATOM 1046 CA CYS A 66 -5.907 -0.828 -7.211 1.00 0.00 C ATOM 1047 C CYS A 66 -5.563 0.319 -6.260 1.00 0.00 C ATOM 1048 O CYS A 66 -6.430 0.925 -5.662 1.00 0.00 O ATOM 1049 CB CYS A 66 -5.852 -2.167 -6.475 1.00 0.00 C ATOM 1050 SG CYS A 66 -7.488 -2.551 -5.802 1.00 0.00 S ATOM 0 H CYS A 66 -4.342 -1.799 -8.297 1.00 0.00 H new ATOM 0 HA CYS A 66 -6.900 -0.626 -7.611 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.532 -2.956 -7.156 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.117 -2.123 -5.671 1.00 0.00 H new ATOM 1055 N PHE A 67 -4.302 0.620 -6.112 1.00 0.00 N ATOM 1056 CA PHE A 67 -3.902 1.728 -5.201 1.00 0.00 C ATOM 1057 C PHE A 67 -4.627 3.017 -5.591 1.00 0.00 C ATOM 1058 O PHE A 67 -5.192 3.123 -6.661 1.00 0.00 O ATOM 1059 CB PHE A 67 -2.395 1.880 -5.401 1.00 0.00 C ATOM 1060 CG PHE A 67 -1.859 2.904 -4.430 1.00 0.00 C ATOM 1061 CD1 PHE A 67 -1.491 2.515 -3.136 1.00 0.00 C ATOM 1062 CD2 PHE A 67 -1.733 4.242 -4.821 1.00 0.00 C ATOM 1063 CE1 PHE A 67 -0.994 3.465 -2.235 1.00 0.00 C ATOM 1064 CE2 PHE A 67 -1.236 5.191 -3.921 1.00 0.00 C ATOM 1065 CZ PHE A 67 -0.867 4.802 -2.627 1.00 0.00 C ATOM 0 H PHE A 67 -3.531 0.146 -6.583 1.00 0.00 H new ATOM 0 HA PHE A 67 -4.156 1.521 -4.161 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.898 0.922 -5.247 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -2.182 2.188 -6.425 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -1.590 1.483 -2.833 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.020 4.542 -5.818 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.709 3.165 -1.237 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -1.137 6.223 -4.224 1.00 0.00 H new ATOM 0 HZ PHE A 67 -0.484 5.534 -1.932 1.00 0.00 H new ATOM 1075 N LYS A 68 -4.617 3.999 -4.732 1.00 0.00 N ATOM 1076 CA LYS A 68 -5.307 5.280 -5.060 1.00 0.00 C ATOM 1077 C LYS A 68 -4.889 6.373 -4.073 1.00 0.00 C ATOM 1078 O LYS A 68 -5.326 6.399 -2.939 1.00 0.00 O ATOM 1079 CB LYS A 68 -6.799 4.975 -4.919 1.00 0.00 C ATOM 1080 CG LYS A 68 -7.046 4.226 -3.607 1.00 0.00 C ATOM 1081 CD LYS A 68 -7.939 5.072 -2.698 1.00 0.00 C ATOM 1082 CE LYS A 68 -8.467 4.207 -1.551 1.00 0.00 C ATOM 1083 NZ LYS A 68 -7.814 4.752 -0.328 1.00 0.00 N ATOM 0 H LYS A 68 -4.162 3.971 -3.819 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.057 5.639 -6.058 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -7.373 5.901 -4.935 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.139 4.374 -5.762 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.520 3.265 -3.808 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.098 4.017 -3.111 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.376 5.916 -2.301 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -8.771 5.484 -3.269 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -9.553 4.266 -1.479 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.214 3.157 -1.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.416 3.970 0.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.052 5.404 -0.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.518 5.262 0.243 1.00 0.00 H new ATOM 1097 N GLU A 69 -4.048 7.276 -4.495 1.00 0.00 N ATOM 1098 CA GLU A 69 -3.605 8.366 -3.580 1.00 0.00 C ATOM 1099 C GLU A 69 -4.794 9.250 -3.197 1.00 0.00 C ATOM 1100 O GLU A 69 -4.763 9.956 -2.209 1.00 0.00 O ATOM 1101 CB GLU A 69 -2.581 9.167 -4.386 1.00 0.00 C ATOM 1102 CG GLU A 69 -1.234 9.153 -3.660 1.00 0.00 C ATOM 1103 CD GLU A 69 -1.287 10.108 -2.467 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -1.911 9.760 -1.479 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -0.701 11.175 -2.563 1.00 0.00 O ATOM 0 H GLU A 69 -3.648 7.307 -5.433 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.183 7.980 -2.652 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.473 8.740 -5.383 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.926 10.193 -4.514 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.002 8.143 -3.321 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.438 9.451 -4.343 1.00 0.00 H new ATOM 1112 N HIS A 70 -5.842 9.215 -3.972 1.00 0.00 N ATOM 1113 CA HIS A 70 -7.033 10.053 -3.655 1.00 0.00 C ATOM 1114 C HIS A 70 -8.222 9.165 -3.282 1.00 0.00 C ATOM 1115 O HIS A 70 -8.472 8.151 -3.902 1.00 0.00 O ATOM 1116 CB HIS A 70 -7.324 10.827 -4.941 1.00 0.00 C ATOM 1117 CG HIS A 70 -8.459 11.785 -4.705 1.00 0.00 C ATOM 1118 ND1 HIS A 70 -9.528 11.895 -5.581 1.00 0.00 N ATOM 1119 CD2 HIS A 70 -8.705 12.684 -3.697 1.00 0.00 C ATOM 1120 CE1 HIS A 70 -10.361 12.829 -5.088 1.00 0.00 C ATOM 1121 NE2 HIS A 70 -9.908 13.342 -3.941 1.00 0.00 N ATOM 0 H HIS A 70 -5.926 8.642 -4.812 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.857 10.718 -2.809 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -6.435 11.371 -5.259 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.579 10.136 -5.744 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -8.064 12.855 -2.845 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.284 13.128 -5.562 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -10.348 14.061 -3.367 1.00 0.00 H new ATOM 1129 N SER A 71 -8.958 9.539 -2.271 1.00 0.00 N ATOM 1130 CA SER A 71 -10.132 8.719 -1.856 1.00 0.00 C ATOM 1131 C SER A 71 -11.291 9.631 -1.447 1.00 0.00 C ATOM 1132 O SER A 71 -12.198 9.880 -2.217 1.00 0.00 O ATOM 1133 CB SER A 71 -9.645 7.901 -0.661 1.00 0.00 C ATOM 1134 OG SER A 71 -8.468 8.497 -0.131 1.00 0.00 O ATOM 0 H SER A 71 -8.797 10.378 -1.714 1.00 0.00 H new ATOM 0 HA SER A 71 -10.496 8.081 -2.661 1.00 0.00 H new ATOM 0 HB2 SER A 71 -10.420 7.857 0.104 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.441 6.875 -0.967 1.00 0.00 H new ATOM 0 HG SER A 71 -8.154 7.975 0.637 1.00 0.00 H new ATOM 1140 N SER A 72 -11.270 10.133 -0.243 1.00 0.00 N ATOM 1141 CA SER A 72 -12.372 11.029 0.210 1.00 0.00 C ATOM 1142 C SER A 72 -11.907 11.897 1.383 1.00 0.00 C ATOM 1143 O SER A 72 -11.744 13.094 1.255 1.00 0.00 O ATOM 1144 CB SER A 72 -13.491 10.087 0.652 1.00 0.00 C ATOM 1145 OG SER A 72 -13.679 9.086 -0.339 1.00 0.00 O ATOM 0 H SER A 72 -10.538 9.962 0.447 1.00 0.00 H new ATOM 0 HA SER A 72 -12.697 11.710 -0.576 1.00 0.00 H new ATOM 0 HB2 SER A 72 -13.239 9.627 1.607 1.00 0.00 H new ATOM 0 HB3 SER A 72 -14.415 10.646 0.801 1.00 0.00 H new ATOM 0 HG SER A 72 -13.477 9.458 -1.223 1.00 0.00 H new ATOM 1151 N LEU A 73 -11.691 11.304 2.525 1.00 0.00 N ATOM 1152 CA LEU A 73 -11.239 12.098 3.704 1.00 0.00 C ATOM 1153 C LEU A 73 -10.148 11.342 4.467 1.00 0.00 C ATOM 1154 O LEU A 73 -9.673 10.312 4.033 1.00 0.00 O ATOM 1155 CB LEU A 73 -12.483 12.260 4.577 1.00 0.00 C ATOM 1156 CG LEU A 73 -13.358 13.385 4.022 1.00 0.00 C ATOM 1157 CD1 LEU A 73 -14.821 13.112 4.372 1.00 0.00 C ATOM 1158 CD2 LEU A 73 -12.928 14.715 4.643 1.00 0.00 C ATOM 0 H LEU A 73 -11.808 10.305 2.693 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.816 13.059 3.412 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.046 11.327 4.602 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -12.192 12.485 5.603 1.00 0.00 H new ATOM 0 HG LEU A 73 -13.245 13.433 2.939 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -15.445 13.913 3.977 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -15.129 12.163 3.934 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -14.933 13.065 5.455 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -13.550 15.519 4.249 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -13.043 14.665 5.726 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.884 14.911 4.397 1.00 0.00 H new ATOM 1170 N ALA A 74 -9.750 11.845 5.604 1.00 0.00 N ATOM 1171 CA ALA A 74 -8.693 11.156 6.397 1.00 0.00 C ATOM 1172 C ALA A 74 -9.308 10.022 7.221 1.00 0.00 C ATOM 1173 O ALA A 74 -9.069 8.857 6.967 1.00 0.00 O ATOM 1174 CB ALA A 74 -8.121 12.237 7.315 1.00 0.00 C ATOM 0 H ALA A 74 -10.112 12.704 6.018 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.925 10.710 5.765 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.333 11.809 7.935 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.709 13.046 6.712 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.913 12.628 7.954 1.00 0.00 H new ATOM 1180 N PHE A 75 -10.103 10.352 8.202 1.00 0.00 N ATOM 1181 CA PHE A 75 -10.739 9.288 9.039 1.00 0.00 C ATOM 1182 C PHE A 75 -12.262 9.430 8.990 1.00 0.00 C ATOM 1183 O PHE A 75 -12.972 8.891 9.816 1.00 0.00 O ATOM 1184 CB PHE A 75 -10.236 9.485 10.484 1.00 0.00 C ATOM 1185 CG PHE A 75 -9.406 10.746 10.616 1.00 0.00 C ATOM 1186 CD1 PHE A 75 -8.044 10.723 10.292 1.00 0.00 C ATOM 1187 CD2 PHE A 75 -9.999 11.934 11.063 1.00 0.00 C ATOM 1188 CE1 PHE A 75 -7.276 11.886 10.415 1.00 0.00 C ATOM 1189 CE2 PHE A 75 -9.230 13.097 11.185 1.00 0.00 C ATOM 1190 CZ PHE A 75 -7.867 13.074 10.861 1.00 0.00 C ATOM 0 H PHE A 75 -10.341 11.309 8.462 1.00 0.00 H new ATOM 0 HA PHE A 75 -10.479 8.295 8.671 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -11.087 9.536 11.163 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -9.640 8.623 10.784 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -7.586 9.808 9.947 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -11.049 11.952 11.313 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -6.225 11.867 10.165 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -9.687 14.013 11.529 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.273 13.971 10.955 1.00 0.00 H new ATOM 1200 N TRP A 76 -12.768 10.149 8.026 1.00 0.00 N ATOM 1201 CA TRP A 76 -14.244 10.324 7.923 1.00 0.00 C ATOM 1202 C TRP A 76 -14.852 9.205 7.073 1.00 0.00 C ATOM 1203 O TRP A 76 -16.000 8.844 7.235 1.00 0.00 O ATOM 1204 CB TRP A 76 -14.433 11.679 7.249 1.00 0.00 C ATOM 1205 CG TRP A 76 -14.940 12.654 8.259 1.00 0.00 C ATOM 1206 CD1 TRP A 76 -16.230 12.776 8.639 1.00 0.00 C ATOM 1207 CD2 TRP A 76 -14.191 13.634 9.030 1.00 0.00 C ATOM 1208 NE1 TRP A 76 -16.325 13.778 9.589 1.00 0.00 N ATOM 1209 CE2 TRP A 76 -15.092 14.337 9.864 1.00 0.00 C ATOM 1210 CE3 TRP A 76 -12.831 13.980 9.083 1.00 0.00 C ATOM 1211 CZ2 TRP A 76 -14.656 15.349 10.721 1.00 0.00 C ATOM 1212 CZ3 TRP A 76 -12.387 14.996 9.944 1.00 0.00 C ATOM 1213 CH2 TRP A 76 -13.299 15.681 10.761 1.00 0.00 C ATOM 0 H TRP A 76 -12.223 10.623 7.305 1.00 0.00 H new ATOM 0 HA TRP A 76 -14.736 10.282 8.895 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -13.489 12.027 6.830 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -15.137 11.593 6.421 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -17.054 12.187 8.263 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -17.197 14.068 10.031 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -12.121 13.460 8.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -15.362 15.872 11.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -11.338 15.252 9.978 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -12.953 16.464 11.420 1.00 0.00 H new ATOM 1224 N LYS A 77 -14.089 8.653 6.168 1.00 0.00 N ATOM 1225 CA LYS A 77 -14.622 7.556 5.308 1.00 0.00 C ATOM 1226 C LYS A 77 -13.735 6.314 5.427 1.00 0.00 C ATOM 1227 O LYS A 77 -12.536 6.377 5.244 1.00 0.00 O ATOM 1228 CB LYS A 77 -14.579 8.112 3.885 1.00 0.00 C ATOM 1229 CG LYS A 77 -15.804 8.995 3.643 1.00 0.00 C ATOM 1230 CD LYS A 77 -16.887 8.180 2.932 1.00 0.00 C ATOM 1231 CE LYS A 77 -17.854 9.128 2.220 1.00 0.00 C ATOM 1232 NZ LYS A 77 -19.173 8.440 2.269 1.00 0.00 N ATOM 0 H LYS A 77 -13.120 8.914 5.987 1.00 0.00 H new ATOM 0 HA LYS A 77 -15.629 7.256 5.597 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -13.667 8.690 3.737 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -14.559 7.294 3.165 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -16.184 9.376 4.591 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -15.529 9.860 3.039 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -16.432 7.500 2.212 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -17.427 7.566 3.653 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -17.895 10.097 2.718 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -17.542 9.311 1.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -19.890 9.030 1.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -19.105 7.524 1.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -19.447 8.285 3.260 1.00 0.00 H new ATOM 1246 N THR A 78 -14.315 5.186 5.733 1.00 0.00 N ATOM 1247 CA THR A 78 -13.503 3.941 5.864 1.00 0.00 C ATOM 1248 C THR A 78 -12.818 3.611 4.535 1.00 0.00 C ATOM 1249 O THR A 78 -13.437 3.129 3.608 1.00 0.00 O ATOM 1250 CB THR A 78 -14.507 2.849 6.234 1.00 0.00 C ATOM 1251 OG1 THR A 78 -15.630 3.437 6.877 1.00 0.00 O ATOM 1252 CG2 THR A 78 -13.845 1.844 7.177 1.00 0.00 C ATOM 0 H THR A 78 -15.315 5.072 5.898 1.00 0.00 H new ATOM 0 HA THR A 78 -12.715 4.041 6.610 1.00 0.00 H new ATOM 0 HB THR A 78 -14.834 2.335 5.330 1.00 0.00 H new ATOM 0 HG1 THR A 78 -16.275 2.738 7.113 1.00 0.00 H new ATOM 0 HG21 THR A 78 -14.561 1.066 7.440 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.985 1.393 6.682 1.00 0.00 H new ATOM 0 HG23 THR A 78 -13.516 2.356 8.082 1.00 0.00 H new ATOM 1260 N ASP A 79 -11.540 3.865 4.437 1.00 0.00 N ATOM 1261 CA ASP A 79 -10.814 3.566 3.169 1.00 0.00 C ATOM 1262 C ASP A 79 -10.374 2.098 3.146 1.00 0.00 C ATOM 1263 O ASP A 79 -10.490 1.387 4.124 1.00 0.00 O ATOM 1264 CB ASP A 79 -9.594 4.488 3.184 1.00 0.00 C ATOM 1265 CG ASP A 79 -9.808 5.637 2.197 1.00 0.00 C ATOM 1266 OD1 ASP A 79 -9.846 5.370 1.007 1.00 0.00 O ATOM 1267 OD2 ASP A 79 -9.929 6.763 2.647 1.00 0.00 O ATOM 0 H ASP A 79 -10.968 4.266 5.180 1.00 0.00 H new ATOM 0 HA ASP A 79 -11.437 3.727 2.289 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.436 4.882 4.188 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -8.698 3.927 2.917 1.00 0.00 H new ATOM 1272 N ALA A 80 -9.868 1.642 2.032 1.00 0.00 N ATOM 1273 CA ALA A 80 -9.416 0.223 1.940 1.00 0.00 C ATOM 1274 C ALA A 80 -8.478 -0.107 3.103 1.00 0.00 C ATOM 1275 O ALA A 80 -8.643 -1.098 3.787 1.00 0.00 O ATOM 1276 CB ALA A 80 -8.672 0.136 0.608 1.00 0.00 C ATOM 0 H ALA A 80 -9.748 2.191 1.181 1.00 0.00 H new ATOM 0 HA ALA A 80 -10.245 -0.483 1.992 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.305 -0.880 0.462 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -9.349 0.398 -0.205 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -7.830 0.828 0.616 1.00 0.00 H new ATOM 1282 N SER A 81 -7.493 0.717 3.328 1.00 0.00 N ATOM 1283 CA SER A 81 -6.536 0.458 4.443 1.00 0.00 C ATOM 1284 C SER A 81 -7.284 0.296 5.774 1.00 0.00 C ATOM 1285 O SER A 81 -6.734 -0.180 6.747 1.00 0.00 O ATOM 1286 CB SER A 81 -5.638 1.692 4.482 1.00 0.00 C ATOM 1287 OG SER A 81 -6.331 2.760 5.117 1.00 0.00 O ATOM 0 H SER A 81 -7.308 1.562 2.787 1.00 0.00 H new ATOM 0 HA SER A 81 -5.970 -0.461 4.291 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.718 1.469 5.022 1.00 0.00 H new ATOM 0 HB3 SER A 81 -5.352 1.980 3.470 1.00 0.00 H new ATOM 0 HG SER A 81 -5.756 3.553 5.145 1.00 0.00 H new ATOM 1293 N ASP A 82 -8.529 0.692 5.830 1.00 0.00 N ATOM 1294 CA ASP A 82 -9.293 0.558 7.106 1.00 0.00 C ATOM 1295 C ASP A 82 -10.587 -0.233 6.887 1.00 0.00 C ATOM 1296 O ASP A 82 -11.571 -0.027 7.569 1.00 0.00 O ATOM 1297 CB ASP A 82 -9.611 1.990 7.527 1.00 0.00 C ATOM 1298 CG ASP A 82 -8.310 2.730 7.846 1.00 0.00 C ATOM 1299 OD1 ASP A 82 -7.542 2.219 8.645 1.00 0.00 O ATOM 1300 OD2 ASP A 82 -8.105 3.794 7.287 1.00 0.00 O ATOM 0 H ASP A 82 -9.047 1.100 5.052 1.00 0.00 H new ATOM 0 HA ASP A 82 -8.724 0.020 7.864 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.148 2.504 6.730 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.263 1.987 8.400 1.00 0.00 H new ATOM 1305 N VAL A 83 -10.595 -1.138 5.947 1.00 0.00 N ATOM 1306 CA VAL A 83 -11.830 -1.941 5.699 1.00 0.00 C ATOM 1307 C VAL A 83 -11.614 -3.393 6.130 1.00 0.00 C ATOM 1308 O VAL A 83 -10.499 -3.867 6.212 1.00 0.00 O ATOM 1309 CB VAL A 83 -12.066 -1.869 4.192 1.00 0.00 C ATOM 1310 CG1 VAL A 83 -13.233 -2.784 3.815 1.00 0.00 C ATOM 1311 CG2 VAL A 83 -12.400 -0.429 3.797 1.00 0.00 C ATOM 0 H VAL A 83 -9.804 -1.357 5.341 1.00 0.00 H new ATOM 0 HA VAL A 83 -12.681 -1.560 6.263 1.00 0.00 H new ATOM 0 HB VAL A 83 -11.167 -2.191 3.667 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.402 -2.733 2.739 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -12.997 -3.810 4.097 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -14.132 -2.461 4.339 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -12.569 -0.377 2.721 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -13.300 -0.107 4.321 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -11.570 0.224 4.066 1.00 0.00 H new ATOM 1321 N LYS A 84 -12.674 -4.104 6.402 1.00 0.00 N ATOM 1322 CA LYS A 84 -12.526 -5.525 6.822 1.00 0.00 C ATOM 1323 C LYS A 84 -12.360 -6.421 5.585 1.00 0.00 C ATOM 1324 O LYS A 84 -13.085 -6.270 4.621 1.00 0.00 O ATOM 1325 CB LYS A 84 -13.826 -5.857 7.554 1.00 0.00 C ATOM 1326 CG LYS A 84 -13.759 -7.291 8.085 1.00 0.00 C ATOM 1327 CD LYS A 84 -15.019 -7.595 8.898 1.00 0.00 C ATOM 1328 CE LYS A 84 -14.628 -8.292 10.203 1.00 0.00 C ATOM 1329 NZ LYS A 84 -14.651 -9.746 9.885 1.00 0.00 N ATOM 0 H LYS A 84 -13.634 -3.763 6.352 1.00 0.00 H new ATOM 0 HA LYS A 84 -11.652 -5.685 7.453 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -13.981 -5.160 8.377 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -14.675 -5.747 6.879 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -13.670 -7.993 7.256 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -12.873 -7.419 8.707 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -15.557 -6.672 9.113 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -15.692 -8.230 8.322 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -13.640 -7.977 10.538 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -15.328 -8.052 11.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -14.393 -10.291 10.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -15.606 -10.019 9.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -13.970 -9.946 9.124 1.00 0.00 H new ATOM 1343 N PRO A 85 -11.413 -7.328 5.642 1.00 0.00 N ATOM 1344 CA PRO A 85 -11.170 -8.241 4.500 1.00 0.00 C ATOM 1345 C PRO A 85 -12.402 -9.113 4.244 1.00 0.00 C ATOM 1346 O PRO A 85 -13.012 -9.626 5.160 1.00 0.00 O ATOM 1347 CB PRO A 85 -9.988 -9.086 4.989 1.00 0.00 C ATOM 1348 CG PRO A 85 -9.597 -8.621 6.406 1.00 0.00 C ATOM 1349 CD PRO A 85 -10.543 -7.489 6.831 1.00 0.00 C ATOM 0 HA PRO A 85 -10.969 -7.727 3.560 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -10.258 -10.142 4.999 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -9.142 -8.980 4.310 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -9.663 -9.452 7.108 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -8.564 -8.275 6.418 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -11.116 -7.753 7.720 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -10.000 -6.573 7.062 1.00 0.00 H new ATOM 1357 N CYS A 86 -12.776 -9.282 3.004 1.00 0.00 N ATOM 1358 CA CYS A 86 -13.970 -10.120 2.699 1.00 0.00 C ATOM 1359 C CYS A 86 -13.929 -11.417 3.512 1.00 0.00 C ATOM 1360 O CYS A 86 -14.484 -11.430 4.598 1.00 0.00 O ATOM 1361 CB CYS A 86 -13.876 -10.425 1.205 1.00 0.00 C ATOM 1362 SG CYS A 86 -15.541 -10.486 0.497 1.00 0.00 S ATOM 1363 OXT CYS A 86 -13.342 -12.374 3.034 1.00 0.00 O ATOM 0 H CYS A 86 -12.308 -8.878 2.193 1.00 0.00 H new ATOM 0 HA CYS A 86 -14.901 -9.613 2.953 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -13.283 -9.660 0.703 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -13.367 -11.376 1.048 1.00 0.00 H new TER 1368 CYS A 86