USER MOD reduce.3.24.130724 H: found=0, std=0, add=841, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 839 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 ALA N :NH3+ 171:sc= -0.0698 (180deg=-0.158) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -129:sc= -0.29 (180deg=-2.99!) USER MOD Single : A 15 HIS : no HE2:sc= -8.93! C(o=-8.9!,f=-6.4!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -6.52! C(o=-6.5!,f=-8.4!) USER MOD Single : A 22 LYS NZ :NH3+ -148:sc= -0.171 (180deg=-0.923) USER MOD Single : A 24 HIS : no HD1:sc= -8.13! C(o=-8.1!,f=-16!) USER MOD Single : A 27 LYS NZ :NH3+ 160:sc= -0.18 (180deg=-0.899) USER MOD Single : A 28 LYS NZ :NH3+ 173:sc= -2.89! (180deg=-3.26!) USER MOD Single : A 29 SER OG : rot 60:sc= 1.17 USER MOD Single : A 30 ASN : amide:sc= -7.49! C(o=-7.5!,f=-5!) USER MOD Single : A 32 GLN : amide:sc= -0.478 K(o=-0.48,f=-3.1!) USER MOD Single : A 36 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.34) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 48:sc= -1.76 USER MOD Single : A 46 THR OG1 : rot -36:sc= 0.755 USER MOD Single : A 53 SER OG : rot 180:sc= 0.00173 USER MOD Single : A 57 GLN : amide:sc= -0.334 K(o=-0.33,f=-0.97) USER MOD Single : A 62 CYS SG : rot 110:sc= -2.81 USER MOD Single : A 64 LYS NZ :NH3+ 139:sc= 0.00709 (180deg=-0.191) USER MOD Single : A 67 LYS NZ :NH3+ 138:sc= -0.236 (180deg=-1.36!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -51:sc= 0.253! USER MOD Single : A 82 LYS NZ :NH3+ 162:sc=-0.00537 (180deg=-0.143) USER MOD Single : A 83 ASN : amide:sc= -6.33! K(o=-6.3!,f=-3.3) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 90 LYS NZ :NH3+ 160:sc= -0.015 (180deg=-0.183) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -20.413 -13.272 6.580 1.00 0.00 N ATOM 2 CA ALA A 1 -20.257 -14.713 6.923 1.00 0.00 C ATOM 3 C ALA A 1 -19.979 -15.513 5.650 1.00 0.00 C ATOM 4 O ALA A 1 -20.138 -16.718 5.614 1.00 0.00 O ATOM 5 CB ALA A 1 -21.543 -15.223 7.577 1.00 0.00 C ATOM 0 H1 ALA A 1 -20.751 -12.751 7.414 1.00 0.00 H new ATOM 0 H2 ALA A 1 -19.496 -12.886 6.279 1.00 0.00 H new ATOM 0 H3 ALA A 1 -21.102 -13.172 5.807 1.00 0.00 H new ATOM 0 HA ALA A 1 -19.424 -14.834 7.616 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -21.430 -16.278 7.828 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -21.740 -14.653 8.485 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -22.376 -15.102 6.884 1.00 0.00 H new ATOM 11 N GLY A 2 -19.565 -14.853 4.604 1.00 0.00 N ATOM 12 CA GLY A 2 -19.276 -15.575 3.333 1.00 0.00 C ATOM 13 C GLY A 2 -18.795 -14.575 2.280 1.00 0.00 C ATOM 14 O GLY A 2 -19.574 -14.037 1.518 1.00 0.00 O ATOM 0 H GLY A 2 -19.414 -13.845 4.574 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -18.516 -16.338 3.500 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -20.171 -16.088 2.981 1.00 0.00 H new ATOM 18 N TYR A 3 -17.516 -14.320 2.231 1.00 0.00 N ATOM 19 CA TYR A 3 -16.987 -13.355 1.228 1.00 0.00 C ATOM 20 C TYR A 3 -16.981 -14.012 -0.155 1.00 0.00 C ATOM 21 O TYR A 3 -16.077 -14.746 -0.501 1.00 0.00 O ATOM 22 CB TYR A 3 -15.559 -12.955 1.609 1.00 0.00 C ATOM 23 CG TYR A 3 -15.599 -11.883 2.675 1.00 0.00 C ATOM 24 CD1 TYR A 3 -15.938 -10.569 2.332 1.00 0.00 C ATOM 25 CD2 TYR A 3 -15.297 -12.204 4.004 1.00 0.00 C ATOM 26 CE1 TYR A 3 -15.975 -9.576 3.317 1.00 0.00 C ATOM 27 CE2 TYR A 3 -15.334 -11.210 4.989 1.00 0.00 C ATOM 28 CZ TYR A 3 -15.672 -9.896 4.646 1.00 0.00 C ATOM 29 OH TYR A 3 -15.709 -8.916 5.617 1.00 0.00 O ATOM 0 H TYR A 3 -16.815 -14.739 2.843 1.00 0.00 H new ATOM 0 HA TYR A 3 -17.619 -12.467 1.207 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -15.012 -13.824 1.974 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -15.027 -12.589 0.731 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -16.171 -10.322 1.307 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -15.036 -13.218 4.269 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -16.237 -8.562 3.052 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -15.102 -11.457 6.014 1.00 0.00 H new ATOM 0 HH TYR A 3 -15.474 -9.306 6.485 1.00 0.00 H new ATOM 39 N THR A 4 -17.984 -13.753 -0.948 1.00 0.00 N ATOM 40 CA THR A 4 -18.034 -14.361 -2.307 1.00 0.00 C ATOM 41 C THR A 4 -17.125 -13.571 -3.250 1.00 0.00 C ATOM 42 O THR A 4 -16.993 -12.368 -3.137 1.00 0.00 O ATOM 43 CB THR A 4 -19.471 -14.322 -2.830 1.00 0.00 C ATOM 44 OG1 THR A 4 -19.832 -12.978 -3.115 1.00 0.00 O ATOM 45 CG2 THR A 4 -20.416 -14.893 -1.772 1.00 0.00 C ATOM 0 H THR A 4 -18.770 -13.147 -0.714 1.00 0.00 H new ATOM 0 HA THR A 4 -17.695 -15.396 -2.257 1.00 0.00 H new ATOM 0 HB THR A 4 -19.544 -14.919 -3.739 1.00 0.00 H new ATOM 0 HG1 THR A 4 -20.752 -12.951 -3.452 1.00 0.00 H new ATOM 0 HG21 THR A 4 -21.440 -14.865 -2.145 1.00 0.00 H new ATOM 0 HG22 THR A 4 -20.138 -15.924 -1.554 1.00 0.00 H new ATOM 0 HG23 THR A 4 -20.345 -14.298 -0.862 1.00 0.00 H new ATOM 53 N GLU A 5 -16.495 -14.236 -4.179 1.00 0.00 N ATOM 54 CA GLU A 5 -15.594 -13.521 -5.128 1.00 0.00 C ATOM 55 C GLU A 5 -16.298 -12.275 -5.667 1.00 0.00 C ATOM 56 O GLU A 5 -15.705 -11.224 -5.803 1.00 0.00 O ATOM 57 CB GLU A 5 -15.240 -14.449 -6.293 1.00 0.00 C ATOM 58 CG GLU A 5 -14.109 -13.831 -7.117 1.00 0.00 C ATOM 59 CD GLU A 5 -12.780 -14.016 -6.382 1.00 0.00 C ATOM 60 OE1 GLU A 5 -12.806 -14.514 -5.268 1.00 0.00 O ATOM 61 OE2 GLU A 5 -11.758 -13.659 -6.946 1.00 0.00 O ATOM 0 H GLU A 5 -16.565 -15.243 -4.322 1.00 0.00 H new ATOM 0 HA GLU A 5 -14.684 -13.225 -4.607 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -14.936 -15.425 -5.914 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -16.116 -14.610 -6.922 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.062 -14.301 -8.099 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.302 -12.771 -7.280 1.00 0.00 H new ATOM 68 N ILE A 6 -17.560 -12.385 -5.979 1.00 0.00 N ATOM 69 CA ILE A 6 -18.301 -11.207 -6.513 1.00 0.00 C ATOM 70 C ILE A 6 -18.272 -10.073 -5.486 1.00 0.00 C ATOM 71 O ILE A 6 -17.965 -8.943 -5.806 1.00 0.00 O ATOM 72 CB ILE A 6 -19.751 -11.605 -6.797 1.00 0.00 C ATOM 73 CG1 ILE A 6 -19.773 -12.752 -7.809 1.00 0.00 C ATOM 74 CG2 ILE A 6 -20.510 -10.407 -7.371 1.00 0.00 C ATOM 75 CD1 ILE A 6 -21.197 -13.297 -7.933 1.00 0.00 C ATOM 0 H ILE A 6 -18.110 -13.239 -5.887 1.00 0.00 H new ATOM 0 HA ILE A 6 -17.829 -10.869 -7.436 1.00 0.00 H new ATOM 0 HB ILE A 6 -20.227 -11.925 -5.870 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -19.421 -12.402 -8.779 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -19.096 -13.544 -7.491 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -21.542 -10.693 -7.572 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -20.494 -9.588 -6.652 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -20.035 -10.086 -8.298 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -21.212 -14.114 -8.654 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -21.532 -13.663 -6.963 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -21.863 -12.503 -8.271 1.00 0.00 H new ATOM 87 N GLU A 7 -18.588 -10.365 -4.254 1.00 0.00 N ATOM 88 CA GLU A 7 -18.578 -9.300 -3.212 1.00 0.00 C ATOM 89 C GLU A 7 -17.239 -8.561 -3.248 1.00 0.00 C ATOM 90 O GLU A 7 -17.186 -7.364 -3.451 1.00 0.00 O ATOM 91 CB GLU A 7 -18.773 -9.935 -1.831 1.00 0.00 C ATOM 92 CG GLU A 7 -20.247 -10.296 -1.636 1.00 0.00 C ATOM 93 CD GLU A 7 -20.401 -11.157 -0.381 1.00 0.00 C ATOM 94 OE1 GLU A 7 -19.651 -10.941 0.556 1.00 0.00 O ATOM 95 OE2 GLU A 7 -21.267 -12.016 -0.378 1.00 0.00 O ATOM 0 H GLU A 7 -18.852 -11.293 -3.924 1.00 0.00 H new ATOM 0 HA GLU A 7 -19.387 -8.595 -3.406 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -18.154 -10.828 -1.739 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -18.451 -9.243 -1.053 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -20.845 -9.389 -1.543 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -20.618 -10.835 -2.507 1.00 0.00 H new ATOM 102 N LYS A 8 -16.157 -9.262 -3.050 1.00 0.00 N ATOM 103 CA LYS A 8 -14.822 -8.598 -3.069 1.00 0.00 C ATOM 104 C LYS A 8 -14.681 -7.747 -4.331 1.00 0.00 C ATOM 105 O LYS A 8 -14.201 -6.636 -4.286 1.00 0.00 O ATOM 106 CB LYS A 8 -13.722 -9.661 -3.055 1.00 0.00 C ATOM 107 CG LYS A 8 -13.684 -10.353 -1.690 1.00 0.00 C ATOM 108 CD LYS A 8 -12.384 -11.148 -1.561 1.00 0.00 C ATOM 109 CE LYS A 8 -12.367 -11.897 -0.226 1.00 0.00 C ATOM 110 NZ LYS A 8 -10.966 -12.270 0.114 1.00 0.00 N ATOM 0 H LYS A 8 -16.139 -10.267 -2.876 1.00 0.00 H new ATOM 0 HA LYS A 8 -14.730 -7.960 -2.190 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -13.904 -10.395 -3.840 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -12.757 -9.201 -3.266 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -13.752 -9.613 -0.893 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -14.542 -11.017 -1.582 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.295 -11.854 -2.386 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -11.528 -10.476 -1.623 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -12.789 -11.271 0.560 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -12.988 -12.791 -0.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -10.953 -12.779 1.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -10.579 -12.882 -0.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -10.387 -11.410 0.191 1.00 0.00 H new ATOM 124 N LEU A 9 -15.087 -8.254 -5.462 1.00 0.00 N ATOM 125 CA LEU A 9 -14.960 -7.458 -6.715 1.00 0.00 C ATOM 126 C LEU A 9 -15.828 -6.202 -6.611 1.00 0.00 C ATOM 127 O LEU A 9 -15.417 -5.118 -6.978 1.00 0.00 O ATOM 128 CB LEU A 9 -15.420 -8.307 -7.908 1.00 0.00 C ATOM 129 CG LEU A 9 -15.043 -7.616 -9.233 1.00 0.00 C ATOM 130 CD1 LEU A 9 -14.684 -8.673 -10.280 1.00 0.00 C ATOM 131 CD2 LEU A 9 -16.226 -6.785 -9.745 1.00 0.00 C ATOM 0 H LEU A 9 -15.499 -9.180 -5.573 1.00 0.00 H new ATOM 0 HA LEU A 9 -13.920 -7.167 -6.859 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -14.959 -9.294 -7.860 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -16.499 -8.457 -7.862 1.00 0.00 H new ATOM 0 HG LEU A 9 -14.188 -6.963 -9.060 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -14.418 -8.182 -11.216 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -13.838 -9.263 -9.926 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -15.540 -9.328 -10.444 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -15.952 -6.300 -10.682 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -17.084 -7.437 -9.912 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -16.485 -6.027 -9.006 1.00 0.00 H new ATOM 143 N GLU A 10 -17.027 -6.340 -6.116 1.00 0.00 N ATOM 144 CA GLU A 10 -17.927 -5.159 -5.994 1.00 0.00 C ATOM 145 C GLU A 10 -17.254 -4.078 -5.141 1.00 0.00 C ATOM 146 O GLU A 10 -17.073 -2.957 -5.572 1.00 0.00 O ATOM 147 CB GLU A 10 -19.242 -5.594 -5.335 1.00 0.00 C ATOM 148 CG GLU A 10 -20.391 -4.719 -5.844 1.00 0.00 C ATOM 149 CD GLU A 10 -20.764 -5.142 -7.267 1.00 0.00 C ATOM 150 OE1 GLU A 10 -20.598 -6.309 -7.581 1.00 0.00 O ATOM 151 OE2 GLU A 10 -21.209 -4.291 -8.019 1.00 0.00 O ATOM 0 H GLU A 10 -17.423 -7.222 -5.790 1.00 0.00 H new ATOM 0 HA GLU A 10 -18.131 -4.753 -6.985 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -19.443 -6.641 -5.560 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -19.161 -5.510 -4.251 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -21.255 -4.816 -5.186 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -20.096 -3.670 -5.831 1.00 0.00 H new ATOM 158 N ILE A 11 -16.892 -4.404 -3.930 1.00 0.00 N ATOM 159 CA ILE A 11 -16.242 -3.390 -3.048 1.00 0.00 C ATOM 160 C ILE A 11 -14.858 -3.029 -3.592 1.00 0.00 C ATOM 161 O ILE A 11 -14.607 -1.900 -3.954 1.00 0.00 O ATOM 162 CB ILE A 11 -16.101 -3.952 -1.625 1.00 0.00 C ATOM 163 CG1 ILE A 11 -15.986 -5.484 -1.670 1.00 0.00 C ATOM 164 CG2 ILE A 11 -17.325 -3.561 -0.792 1.00 0.00 C ATOM 165 CD1 ILE A 11 -15.137 -5.969 -0.492 1.00 0.00 C ATOM 0 H ILE A 11 -17.017 -5.326 -3.513 1.00 0.00 H new ATOM 0 HA ILE A 11 -16.863 -2.494 -3.026 1.00 0.00 H new ATOM 0 HB ILE A 11 -15.201 -3.538 -1.171 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -16.977 -5.935 -1.627 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -15.534 -5.798 -2.611 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -17.222 -3.961 0.217 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -17.401 -2.475 -0.745 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -18.224 -3.968 -1.254 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -15.056 -7.055 -0.525 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -14.142 -5.529 -0.555 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -15.608 -5.668 0.444 1.00 0.00 H new ATOM 177 N VAL A 12 -13.957 -3.970 -3.634 1.00 0.00 N ATOM 178 CA VAL A 12 -12.579 -3.677 -4.134 1.00 0.00 C ATOM 179 C VAL A 12 -12.630 -2.728 -5.329 1.00 0.00 C ATOM 180 O VAL A 12 -11.795 -1.860 -5.468 1.00 0.00 O ATOM 181 CB VAL A 12 -11.892 -4.980 -4.549 1.00 0.00 C ATOM 182 CG1 VAL A 12 -10.529 -4.663 -5.168 1.00 0.00 C ATOM 183 CG2 VAL A 12 -11.701 -5.869 -3.318 1.00 0.00 C ATOM 0 H VAL A 12 -14.114 -4.935 -3.343 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.014 -3.202 -3.332 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.510 -5.501 -5.281 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.039 -5.591 -5.464 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.666 -4.029 -6.044 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.910 -4.143 -4.437 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.212 -6.798 -3.612 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.083 -5.349 -2.586 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.672 -6.094 -2.878 1.00 0.00 H new ATOM 193 N LYS A 13 -13.578 -2.881 -6.203 1.00 0.00 N ATOM 194 CA LYS A 13 -13.631 -1.967 -7.375 1.00 0.00 C ATOM 195 C LYS A 13 -14.305 -0.646 -6.995 1.00 0.00 C ATOM 196 O LYS A 13 -13.797 0.422 -7.271 1.00 0.00 O ATOM 197 CB LYS A 13 -14.408 -2.632 -8.515 1.00 0.00 C ATOM 198 CG LYS A 13 -13.670 -3.894 -8.982 1.00 0.00 C ATOM 199 CD LYS A 13 -12.625 -3.526 -10.046 1.00 0.00 C ATOM 200 CE LYS A 13 -13.278 -3.513 -11.431 1.00 0.00 C ATOM 201 NZ LYS A 13 -13.824 -4.865 -11.737 1.00 0.00 N ATOM 0 H LYS A 13 -14.311 -3.589 -6.161 1.00 0.00 H new ATOM 0 HA LYS A 13 -12.612 -1.759 -7.701 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -15.413 -2.890 -8.180 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -14.518 -1.936 -9.346 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -13.184 -4.376 -8.134 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -14.381 -4.611 -9.391 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.198 -2.548 -9.826 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.805 -4.244 -10.027 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -14.076 -2.772 -11.461 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -12.547 -3.225 -12.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -13.485 -5.173 -12.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.505 -5.540 -11.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.863 -4.827 -11.741 1.00 0.00 H new ATOM 215 N ASP A 14 -15.454 -0.707 -6.381 1.00 0.00 N ATOM 216 CA ASP A 14 -16.165 0.549 -6.005 1.00 0.00 C ATOM 217 C ASP A 14 -15.405 1.285 -4.898 1.00 0.00 C ATOM 218 O ASP A 14 -14.866 2.351 -5.108 1.00 0.00 O ATOM 219 CB ASP A 14 -17.571 0.204 -5.511 1.00 0.00 C ATOM 220 CG ASP A 14 -18.382 -0.401 -6.657 1.00 0.00 C ATOM 221 OD1 ASP A 14 -18.674 0.321 -7.597 1.00 0.00 O ATOM 222 OD2 ASP A 14 -18.700 -1.577 -6.577 1.00 0.00 O ATOM 0 H ASP A 14 -15.932 -1.571 -6.123 1.00 0.00 H new ATOM 0 HA ASP A 14 -16.224 1.196 -6.880 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -17.513 -0.500 -4.681 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -18.066 1.100 -5.135 1.00 0.00 H new ATOM 227 N HIS A 15 -15.377 0.727 -3.718 1.00 0.00 N ATOM 228 CA HIS A 15 -14.677 1.387 -2.577 1.00 0.00 C ATOM 229 C HIS A 15 -13.361 2.020 -3.040 1.00 0.00 C ATOM 230 O HIS A 15 -12.986 3.087 -2.601 1.00 0.00 O ATOM 231 CB HIS A 15 -14.406 0.341 -1.483 1.00 0.00 C ATOM 232 CG HIS A 15 -12.986 -0.169 -1.561 1.00 0.00 C ATOM 233 ND1 HIS A 15 -12.127 -0.102 -0.470 1.00 0.00 N ATOM 234 CD2 HIS A 15 -12.260 -0.768 -2.571 1.00 0.00 C ATOM 235 CE1 HIS A 15 -10.953 -0.643 -0.841 1.00 0.00 C ATOM 236 NE2 HIS A 15 -10.983 -1.064 -2.105 1.00 0.00 N ATOM 0 H HIS A 15 -15.814 -0.167 -3.493 1.00 0.00 H new ATOM 0 HA HIS A 15 -15.310 2.180 -2.180 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -14.585 0.781 -0.502 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -15.102 -0.491 -1.590 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -12.347 0.287 0.447 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -12.626 -0.974 -3.566 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -10.092 -0.726 -0.194 1.00 0.00 H new ATOM 245 N LEU A 16 -12.653 1.356 -3.904 1.00 0.00 N ATOM 246 CA LEU A 16 -11.350 1.892 -4.388 1.00 0.00 C ATOM 247 C LEU A 16 -11.431 3.408 -4.616 1.00 0.00 C ATOM 248 O LEU A 16 -10.491 4.131 -4.350 1.00 0.00 O ATOM 249 CB LEU A 16 -10.986 1.193 -5.705 1.00 0.00 C ATOM 250 CG LEU A 16 -9.531 0.704 -5.679 1.00 0.00 C ATOM 251 CD1 LEU A 16 -8.583 1.900 -5.540 1.00 0.00 C ATOM 252 CD2 LEU A 16 -9.313 -0.271 -4.513 1.00 0.00 C ATOM 0 H LEU A 16 -12.922 0.456 -4.301 1.00 0.00 H new ATOM 0 HA LEU A 16 -10.586 1.701 -3.634 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -11.655 0.349 -5.871 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -11.128 1.881 -6.538 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.321 0.184 -6.613 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.552 1.547 -5.522 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.721 2.574 -6.385 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.801 2.431 -4.613 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.276 -0.608 -4.509 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.534 0.232 -3.572 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.973 -1.130 -4.629 1.00 0.00 H new ATOM 264 N LEU A 17 -12.526 3.895 -5.131 1.00 0.00 N ATOM 265 CA LEU A 17 -12.628 5.359 -5.397 1.00 0.00 C ATOM 266 C LEU A 17 -12.637 6.153 -4.079 1.00 0.00 C ATOM 267 O LEU A 17 -11.705 6.872 -3.792 1.00 0.00 O ATOM 268 CB LEU A 17 -13.899 5.650 -6.212 1.00 0.00 C ATOM 269 CG LEU A 17 -13.549 5.778 -7.702 1.00 0.00 C ATOM 270 CD1 LEU A 17 -14.792 5.495 -8.547 1.00 0.00 C ATOM 271 CD2 LEU A 17 -13.054 7.197 -7.995 1.00 0.00 C ATOM 0 H LEU A 17 -13.350 3.347 -5.378 1.00 0.00 H new ATOM 0 HA LEU A 17 -11.757 5.674 -5.972 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -14.625 4.850 -6.068 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -14.365 6.570 -5.859 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.767 5.060 -7.949 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -14.542 5.586 -9.604 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -15.148 4.485 -8.344 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -15.574 6.212 -8.296 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -12.806 7.285 -9.053 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -13.836 7.914 -7.745 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -12.167 7.404 -7.396 1.00 0.00 H new ATOM 283 N PRO A 18 -13.676 6.040 -3.290 1.00 0.00 N ATOM 284 CA PRO A 18 -13.787 6.787 -1.997 1.00 0.00 C ATOM 285 C PRO A 18 -12.683 6.417 -0.999 1.00 0.00 C ATOM 286 O PRO A 18 -12.071 7.272 -0.392 1.00 0.00 O ATOM 287 CB PRO A 18 -15.161 6.374 -1.446 1.00 0.00 C ATOM 288 CG PRO A 18 -15.491 5.097 -2.139 1.00 0.00 C ATOM 289 CD PRO A 18 -14.857 5.195 -3.523 1.00 0.00 C ATOM 0 HA PRO A 18 -13.681 7.861 -2.152 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -15.127 6.238 -0.365 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.912 7.137 -1.648 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -15.098 4.242 -1.589 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -16.570 4.960 -2.213 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -14.581 4.214 -3.910 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -15.537 5.644 -4.247 1.00 0.00 H new ATOM 297 N LYS A 19 -12.436 5.151 -0.815 1.00 0.00 N ATOM 298 CA LYS A 19 -11.384 4.728 0.154 1.00 0.00 C ATOM 299 C LYS A 19 -10.092 5.513 -0.094 1.00 0.00 C ATOM 300 O LYS A 19 -9.699 6.348 0.697 1.00 0.00 O ATOM 301 CB LYS A 19 -11.112 3.232 -0.014 1.00 0.00 C ATOM 302 CG LYS A 19 -10.330 2.706 1.196 1.00 0.00 C ATOM 303 CD LYS A 19 -11.275 2.504 2.387 1.00 0.00 C ATOM 304 CE LYS A 19 -10.634 1.542 3.391 1.00 0.00 C ATOM 305 NZ LYS A 19 -11.321 1.668 4.709 1.00 0.00 N ATOM 0 H LYS A 19 -12.917 4.389 -1.293 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.731 4.928 1.168 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -12.053 2.691 -0.113 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.546 3.057 -0.929 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.844 1.763 0.943 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.541 3.409 1.463 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -11.483 3.461 2.866 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -12.230 2.105 2.044 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.708 0.517 3.027 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.573 1.766 3.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.886 1.015 5.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.229 2.644 5.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -12.328 1.434 4.599 1.00 0.00 H new ATOM 319 N GLN A 20 -9.424 5.241 -1.178 1.00 0.00 N ATOM 320 CA GLN A 20 -8.149 5.955 -1.476 1.00 0.00 C ATOM 321 C GLN A 20 -8.392 7.466 -1.546 1.00 0.00 C ATOM 322 O GLN A 20 -7.723 8.238 -0.893 1.00 0.00 O ATOM 323 CB GLN A 20 -7.600 5.462 -2.818 1.00 0.00 C ATOM 324 CG GLN A 20 -6.968 4.075 -2.645 1.00 0.00 C ATOM 325 CD GLN A 20 -7.831 3.214 -1.719 1.00 0.00 C ATOM 326 OE1 GLN A 20 -8.646 2.437 -2.176 1.00 0.00 O ATOM 327 NE2 GLN A 20 -7.684 3.320 -0.427 1.00 0.00 N ATOM 0 H GLN A 20 -9.706 4.552 -1.875 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.430 5.751 -0.683 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.402 5.416 -3.554 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.858 6.165 -3.198 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.867 3.590 -3.616 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -5.964 4.173 -2.232 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.000 3.972 -0.043 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.253 2.751 0.199 1.00 0.00 H new ATOM 336 N ILE A 21 -9.335 7.893 -2.338 1.00 0.00 N ATOM 337 CA ILE A 21 -9.608 9.356 -2.456 1.00 0.00 C ATOM 338 C ILE A 21 -9.655 10.003 -1.067 1.00 0.00 C ATOM 339 O ILE A 21 -9.214 11.116 -0.891 1.00 0.00 O ATOM 340 CB ILE A 21 -10.943 9.581 -3.180 1.00 0.00 C ATOM 341 CG1 ILE A 21 -10.755 9.368 -4.692 1.00 0.00 C ATOM 342 CG2 ILE A 21 -11.444 11.007 -2.922 1.00 0.00 C ATOM 343 CD1 ILE A 21 -9.764 10.392 -5.267 1.00 0.00 C ATOM 0 H ILE A 21 -9.930 7.293 -2.910 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.805 9.817 -3.031 1.00 0.00 H new ATOM 0 HB ILE A 21 -11.677 8.869 -2.802 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -10.391 8.358 -4.879 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -11.715 9.460 -5.199 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -12.392 11.159 -3.439 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -11.587 11.154 -1.852 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -10.710 11.723 -3.292 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -9.646 10.223 -6.337 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -10.143 11.400 -5.098 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -8.798 10.281 -4.774 1.00 0.00 H new ATOM 355 N LYS A 22 -10.206 9.342 -0.088 1.00 0.00 N ATOM 356 CA LYS A 22 -10.285 9.967 1.267 1.00 0.00 C ATOM 357 C LYS A 22 -8.889 10.089 1.888 1.00 0.00 C ATOM 358 O LYS A 22 -8.273 11.142 1.856 1.00 0.00 O ATOM 359 CB LYS A 22 -11.170 9.109 2.172 1.00 0.00 C ATOM 360 CG LYS A 22 -11.306 9.783 3.541 1.00 0.00 C ATOM 361 CD LYS A 22 -12.298 8.998 4.411 1.00 0.00 C ATOM 362 CE LYS A 22 -13.720 9.511 4.166 1.00 0.00 C ATOM 363 NZ LYS A 22 -13.833 10.915 4.651 1.00 0.00 N ATOM 0 H LYS A 22 -10.602 8.405 -0.163 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.712 10.965 1.167 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -12.153 8.979 1.720 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.737 8.115 2.285 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.334 9.828 4.032 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.649 10.810 3.418 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -12.239 7.935 4.177 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.038 9.107 5.464 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.957 9.462 3.103 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -14.441 8.877 4.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.799 11.087 4.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.157 11.070 5.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.622 11.570 3.871 1.00 0.00 H new ATOM 377 N GLU A 23 -8.387 9.025 2.459 1.00 0.00 N ATOM 378 CA GLU A 23 -7.034 9.078 3.089 1.00 0.00 C ATOM 379 C GLU A 23 -6.091 9.875 2.188 1.00 0.00 C ATOM 380 O GLU A 23 -5.270 10.643 2.647 1.00 0.00 O ATOM 381 CB GLU A 23 -6.499 7.652 3.265 1.00 0.00 C ATOM 382 CG GLU A 23 -5.325 7.658 4.246 1.00 0.00 C ATOM 383 CD GLU A 23 -4.128 8.370 3.613 1.00 0.00 C ATOM 384 OE1 GLU A 23 -3.792 8.037 2.489 1.00 0.00 O ATOM 385 OE2 GLU A 23 -3.568 9.238 4.264 1.00 0.00 O ATOM 0 H GLU A 23 -8.856 8.121 2.516 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.099 9.561 4.064 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.290 7.000 3.634 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.179 7.252 2.303 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.613 8.161 5.169 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.054 6.636 4.510 1.00 0.00 H new ATOM 392 N HIS A 24 -6.217 9.697 0.906 1.00 0.00 N ATOM 393 CA HIS A 24 -5.350 10.438 -0.049 1.00 0.00 C ATOM 394 C HIS A 24 -5.922 11.842 -0.242 1.00 0.00 C ATOM 395 O HIS A 24 -5.199 12.811 -0.343 1.00 0.00 O ATOM 396 CB HIS A 24 -5.308 9.686 -1.381 1.00 0.00 C ATOM 397 CG HIS A 24 -5.000 8.234 -1.117 1.00 0.00 C ATOM 398 ND1 HIS A 24 -5.474 7.570 0.007 1.00 0.00 N ATOM 399 CD2 HIS A 24 -4.258 7.309 -1.810 1.00 0.00 C ATOM 400 CE1 HIS A 24 -5.015 6.306 -0.042 1.00 0.00 C ATOM 401 NE2 HIS A 24 -4.270 6.098 -1.129 1.00 0.00 N ATOM 0 H HIS A 24 -6.890 9.064 0.474 1.00 0.00 H new ATOM 0 HA HIS A 24 -4.334 10.515 0.339 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -6.264 9.780 -1.896 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -4.550 10.119 -2.034 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.744 7.495 -2.742 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -5.224 5.554 0.705 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -3.806 5.232 -1.403 1.00 0.00 H new ATOM 410 N GLY A 25 -7.224 11.947 -0.287 1.00 0.00 N ATOM 411 CA GLY A 25 -7.883 13.277 -0.460 1.00 0.00 C ATOM 412 C GLY A 25 -7.141 14.332 0.357 1.00 0.00 C ATOM 413 O GLY A 25 -7.013 15.468 -0.055 1.00 0.00 O ATOM 0 H GLY A 25 -7.867 11.159 -0.210 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.888 13.557 -1.514 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.924 13.222 -0.140 1.00 0.00 H new ATOM 417 N LEU A 26 -6.667 13.967 1.520 1.00 0.00 N ATOM 418 CA LEU A 26 -5.942 14.956 2.377 1.00 0.00 C ATOM 419 C LEU A 26 -5.104 15.883 1.485 1.00 0.00 C ATOM 420 O LEU A 26 -5.033 17.074 1.712 1.00 0.00 O ATOM 421 CB LEU A 26 -5.021 14.201 3.353 1.00 0.00 C ATOM 422 CG LEU A 26 -5.511 14.385 4.793 1.00 0.00 C ATOM 423 CD1 LEU A 26 -4.884 13.313 5.687 1.00 0.00 C ATOM 424 CD2 LEU A 26 -5.102 15.772 5.300 1.00 0.00 C ATOM 0 H LEU A 26 -6.750 13.030 1.914 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.659 15.551 2.942 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.002 13.141 3.100 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.999 14.569 3.259 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.597 14.293 4.820 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.233 13.444 6.711 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.174 12.325 5.329 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.798 13.405 5.659 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.451 15.902 6.324 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.016 15.864 5.272 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.548 16.538 4.665 1.00 0.00 H new ATOM 436 N LYS A 27 -4.491 15.348 0.462 1.00 0.00 N ATOM 437 CA LYS A 27 -3.684 16.199 -0.459 1.00 0.00 C ATOM 438 C LYS A 27 -4.492 16.422 -1.741 1.00 0.00 C ATOM 439 O LYS A 27 -5.505 15.788 -1.961 1.00 0.00 O ATOM 440 CB LYS A 27 -2.364 15.485 -0.791 1.00 0.00 C ATOM 441 CG LYS A 27 -1.220 16.079 0.043 1.00 0.00 C ATOM 442 CD LYS A 27 -0.697 17.350 -0.632 1.00 0.00 C ATOM 443 CE LYS A 27 0.385 17.984 0.245 1.00 0.00 C ATOM 444 NZ LYS A 27 1.331 16.930 0.708 1.00 0.00 N ATOM 0 H LYS A 27 -4.515 14.356 0.225 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.458 17.157 0.010 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.457 14.418 -0.588 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.142 15.589 -1.853 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.571 16.308 1.049 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.415 15.351 0.144 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.290 17.112 -1.615 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.514 18.055 -0.787 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.922 18.748 -0.317 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.071 18.480 1.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.225 17.371 1.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.915 16.419 1.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.514 16.263 -0.068 1.00 0.00 H new ATOM 458 N LYS A 28 -4.058 17.315 -2.588 1.00 0.00 N ATOM 459 CA LYS A 28 -4.811 17.569 -3.852 1.00 0.00 C ATOM 460 C LYS A 28 -5.181 16.233 -4.502 1.00 0.00 C ATOM 461 O LYS A 28 -4.523 15.233 -4.296 1.00 0.00 O ATOM 462 CB LYS A 28 -3.937 18.376 -4.814 1.00 0.00 C ATOM 463 CG LYS A 28 -2.558 17.720 -4.930 1.00 0.00 C ATOM 464 CD LYS A 28 -1.880 18.175 -6.224 1.00 0.00 C ATOM 465 CE LYS A 28 -0.522 17.486 -6.360 1.00 0.00 C ATOM 466 NZ LYS A 28 0.009 17.701 -7.735 1.00 0.00 N ATOM 0 H LYS A 28 -3.217 17.879 -2.461 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.718 18.130 -3.627 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.410 18.427 -5.795 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.834 19.400 -4.456 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.943 17.989 -4.071 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.659 16.635 -4.923 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.509 17.934 -7.081 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.751 19.257 -6.218 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.175 17.885 -5.623 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.622 16.419 -6.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.981 17.336 -7.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.590 17.199 -8.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.007 18.718 -7.953 1.00 0.00 H new ATOM 480 N SER A 29 -6.226 16.207 -5.289 1.00 0.00 N ATOM 481 CA SER A 29 -6.626 14.931 -5.952 1.00 0.00 C ATOM 482 C SER A 29 -5.384 14.268 -6.547 1.00 0.00 C ATOM 483 O SER A 29 -4.983 14.559 -7.657 1.00 0.00 O ATOM 484 CB SER A 29 -7.634 15.226 -7.066 1.00 0.00 C ATOM 485 OG SER A 29 -6.977 15.910 -8.123 1.00 0.00 O ATOM 0 H SER A 29 -6.817 17.011 -5.500 1.00 0.00 H new ATOM 0 HA SER A 29 -7.084 14.264 -5.222 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.070 14.297 -7.434 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.454 15.831 -6.680 1.00 0.00 H new ATOM 0 HG SER A 29 -6.256 15.349 -8.478 1.00 0.00 H new ATOM 491 N ASN A 30 -4.759 13.392 -5.807 1.00 0.00 N ATOM 492 CA ASN A 30 -3.525 12.720 -6.309 1.00 0.00 C ATOM 493 C ASN A 30 -3.789 11.227 -6.525 1.00 0.00 C ATOM 494 O ASN A 30 -3.139 10.385 -5.939 1.00 0.00 O ATOM 495 CB ASN A 30 -2.412 12.902 -5.271 1.00 0.00 C ATOM 496 CG ASN A 30 -1.046 12.805 -5.954 1.00 0.00 C ATOM 497 OD1 ASN A 30 -0.867 13.293 -7.052 1.00 0.00 O ATOM 498 ND2 ASN A 30 -0.068 12.194 -5.344 1.00 0.00 N ATOM 0 H ASN A 30 -5.052 13.111 -4.871 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.227 13.162 -7.260 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.515 13.869 -4.779 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.496 12.140 -4.496 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.847 12.126 -5.789 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -0.219 11.784 -4.422 1.00 0.00 H new ATOM 505 N LEU A 31 -4.734 10.888 -7.361 1.00 0.00 N ATOM 506 CA LEU A 31 -5.020 9.445 -7.601 1.00 0.00 C ATOM 507 C LEU A 31 -5.802 9.267 -8.907 1.00 0.00 C ATOM 508 O LEU A 31 -6.876 9.808 -9.076 1.00 0.00 O ATOM 509 CB LEU A 31 -5.850 8.895 -6.438 1.00 0.00 C ATOM 510 CG LEU A 31 -5.953 7.366 -6.548 1.00 0.00 C ATOM 511 CD1 LEU A 31 -4.774 6.717 -5.819 1.00 0.00 C ATOM 512 CD2 LEU A 31 -7.265 6.896 -5.912 1.00 0.00 C ATOM 0 H LEU A 31 -5.316 11.543 -7.884 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.076 8.905 -7.676 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.390 9.170 -5.489 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.846 9.337 -6.449 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.932 7.078 -7.599 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.849 5.633 -5.899 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.839 7.050 -6.270 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.792 7.006 -4.768 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.339 5.811 -5.990 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.285 7.187 -4.862 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.106 7.355 -6.432 1.00 0.00 H new ATOM 524 N GLN A 32 -5.280 8.495 -9.823 1.00 0.00 N ATOM 525 CA GLN A 32 -6.004 8.263 -11.108 1.00 0.00 C ATOM 526 C GLN A 32 -5.676 6.858 -11.621 1.00 0.00 C ATOM 527 O GLN A 32 -4.881 6.682 -12.521 1.00 0.00 O ATOM 528 CB GLN A 32 -5.580 9.312 -12.139 1.00 0.00 C ATOM 529 CG GLN A 32 -6.549 9.287 -13.323 1.00 0.00 C ATOM 530 CD GLN A 32 -7.848 10.000 -12.938 1.00 0.00 C ATOM 531 OE1 GLN A 32 -8.072 10.297 -11.781 1.00 0.00 O ATOM 532 NE2 GLN A 32 -8.719 10.288 -13.866 1.00 0.00 N ATOM 0 H GLN A 32 -4.384 8.015 -9.737 1.00 0.00 H new ATOM 0 HA GLN A 32 -7.078 8.348 -10.945 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.572 10.302 -11.683 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.565 9.110 -12.482 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -6.097 9.775 -14.187 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -6.759 8.257 -13.612 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -8.531 10.039 -14.837 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -9.588 10.762 -13.620 1.00 0.00 H new ATOM 541 N LEU A 33 -6.286 5.853 -11.045 1.00 0.00 N ATOM 542 CA LEU A 33 -6.012 4.454 -11.485 1.00 0.00 C ATOM 543 C LEU A 33 -7.142 3.957 -12.389 1.00 0.00 C ATOM 544 O LEU A 33 -8.149 4.614 -12.563 1.00 0.00 O ATOM 545 CB LEU A 33 -5.895 3.544 -10.251 1.00 0.00 C ATOM 546 CG LEU A 33 -7.283 3.238 -9.670 1.00 0.00 C ATOM 547 CD1 LEU A 33 -7.125 2.421 -8.386 1.00 0.00 C ATOM 548 CD2 LEU A 33 -8.012 4.547 -9.349 1.00 0.00 C ATOM 0 H LEU A 33 -6.963 5.943 -10.288 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.077 4.431 -12.045 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.396 2.614 -10.524 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.277 4.027 -9.494 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.862 2.672 -10.400 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.109 2.202 -7.971 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.610 1.487 -8.610 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.544 2.991 -7.661 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.996 4.324 -8.937 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.434 5.116 -8.621 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.125 5.134 -10.261 1.00 0.00 H new ATOM 560 N ARG A 34 -6.973 2.796 -12.963 1.00 0.00 N ATOM 561 CA ARG A 34 -8.023 2.228 -13.862 1.00 0.00 C ATOM 562 C ARG A 34 -8.532 0.907 -13.280 1.00 0.00 C ATOM 563 O ARG A 34 -8.197 0.534 -12.173 1.00 0.00 O ATOM 564 CB ARG A 34 -7.426 1.976 -15.248 1.00 0.00 C ATOM 565 CG ARG A 34 -7.030 3.308 -15.886 1.00 0.00 C ATOM 566 CD ARG A 34 -6.159 3.047 -17.116 1.00 0.00 C ATOM 567 NE ARG A 34 -5.801 4.344 -17.757 1.00 0.00 N ATOM 568 CZ ARG A 34 -4.807 4.403 -18.601 1.00 0.00 C ATOM 569 NH1 ARG A 34 -4.127 3.326 -18.885 1.00 0.00 N ATOM 570 NH2 ARG A 34 -4.493 5.540 -19.160 1.00 0.00 N ATOM 0 H ARG A 34 -6.146 2.211 -12.847 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.850 2.933 -13.945 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.554 1.327 -15.167 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -8.150 1.460 -15.879 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -7.922 3.866 -16.171 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -6.487 3.921 -15.166 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.255 2.510 -16.827 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -6.693 2.414 -17.825 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.333 5.186 -17.536 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.372 2.438 -18.447 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.350 3.372 -19.545 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.024 6.382 -18.937 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.716 5.587 -19.820 1.00 0.00 H new ATOM 584 N ASP A 35 -9.339 0.194 -14.019 1.00 0.00 N ATOM 585 CA ASP A 35 -9.867 -1.103 -13.510 1.00 0.00 C ATOM 586 C ASP A 35 -8.806 -2.193 -13.681 1.00 0.00 C ATOM 587 O ASP A 35 -8.470 -2.897 -12.751 1.00 0.00 O ATOM 588 CB ASP A 35 -11.121 -1.489 -14.298 1.00 0.00 C ATOM 589 CG ASP A 35 -10.867 -1.287 -15.793 1.00 0.00 C ATOM 590 OD1 ASP A 35 -10.972 -0.159 -16.246 1.00 0.00 O ATOM 591 OD2 ASP A 35 -10.573 -2.265 -16.461 1.00 0.00 O ATOM 0 H ASP A 35 -9.655 0.454 -14.953 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.116 -1.001 -12.454 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -11.382 -2.529 -14.100 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.967 -0.881 -13.977 1.00 0.00 H new ATOM 596 N GLN A 36 -8.280 -2.337 -14.867 1.00 0.00 N ATOM 597 CA GLN A 36 -7.244 -3.381 -15.104 1.00 0.00 C ATOM 598 C GLN A 36 -6.207 -3.351 -13.978 1.00 0.00 C ATOM 599 O GLN A 36 -5.743 -4.377 -13.526 1.00 0.00 O ATOM 600 CB GLN A 36 -6.549 -3.118 -16.442 1.00 0.00 C ATOM 601 CG GLN A 36 -7.553 -3.292 -17.583 1.00 0.00 C ATOM 602 CD GLN A 36 -7.908 -4.773 -17.730 1.00 0.00 C ATOM 603 OE1 GLN A 36 -8.915 -5.222 -17.219 1.00 0.00 O ATOM 604 NE2 GLN A 36 -7.118 -5.557 -18.410 1.00 0.00 N ATOM 0 H GLN A 36 -8.524 -1.776 -15.683 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.722 -4.360 -15.126 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.137 -2.109 -16.457 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.713 -3.806 -16.571 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -8.452 -2.710 -17.382 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.130 -2.914 -18.514 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.273 -5.181 -18.839 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.346 -6.546 -18.512 1.00 0.00 H new ATOM 613 N ALA A 37 -5.836 -2.184 -13.525 1.00 0.00 N ATOM 614 CA ALA A 37 -4.824 -2.100 -12.433 1.00 0.00 C ATOM 615 C ALA A 37 -5.347 -2.817 -11.184 1.00 0.00 C ATOM 616 O ALA A 37 -4.774 -3.786 -10.727 1.00 0.00 O ATOM 617 CB ALA A 37 -4.556 -0.631 -12.097 1.00 0.00 C ATOM 0 H ALA A 37 -6.188 -1.288 -13.862 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.901 -2.576 -12.763 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.816 -0.569 -11.299 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.179 -0.118 -12.982 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.482 -0.158 -11.771 1.00 0.00 H new ATOM 623 N ILE A 38 -6.428 -2.345 -10.628 1.00 0.00 N ATOM 624 CA ILE A 38 -6.988 -2.992 -9.405 1.00 0.00 C ATOM 625 C ILE A 38 -7.035 -4.511 -9.592 1.00 0.00 C ATOM 626 O ILE A 38 -6.775 -5.267 -8.677 1.00 0.00 O ATOM 627 CB ILE A 38 -8.408 -2.475 -9.159 1.00 0.00 C ATOM 628 CG1 ILE A 38 -8.398 -0.945 -9.096 1.00 0.00 C ATOM 629 CG2 ILE A 38 -8.932 -3.036 -7.835 1.00 0.00 C ATOM 630 CD1 ILE A 38 -9.840 -0.428 -9.067 1.00 0.00 C ATOM 0 H ILE A 38 -6.950 -1.537 -10.968 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.352 -2.751 -8.553 1.00 0.00 H new ATOM 0 HB ILE A 38 -9.055 -2.798 -9.975 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -7.862 -0.610 -8.208 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -7.871 -0.538 -9.959 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.943 -2.669 -7.659 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.945 -4.125 -7.881 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.282 -2.715 -7.021 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -9.835 0.661 -9.022 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -10.361 -0.752 -9.968 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -10.351 -0.825 -8.190 1.00 0.00 H new ATOM 642 N LEU A 39 -7.380 -4.965 -10.764 1.00 0.00 N ATOM 643 CA LEU A 39 -7.459 -6.435 -11.004 1.00 0.00 C ATOM 644 C LEU A 39 -6.053 -7.036 -11.072 1.00 0.00 C ATOM 645 O LEU A 39 -5.811 -8.125 -10.597 1.00 0.00 O ATOM 646 CB LEU A 39 -8.188 -6.696 -12.325 1.00 0.00 C ATOM 647 CG LEU A 39 -9.551 -6.000 -12.310 1.00 0.00 C ATOM 648 CD1 LEU A 39 -10.219 -6.161 -13.677 1.00 0.00 C ATOM 649 CD2 LEU A 39 -10.442 -6.629 -11.231 1.00 0.00 C ATOM 0 H LEU A 39 -7.611 -4.382 -11.568 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.004 -6.900 -10.183 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.591 -6.329 -13.160 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.318 -7.768 -12.474 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.413 -4.941 -12.092 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.190 -5.666 -13.668 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.589 -5.711 -14.445 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.354 -7.221 -13.893 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.411 -6.131 -11.224 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.580 -7.689 -11.446 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.968 -6.515 -10.256 1.00 0.00 H new ATOM 661 N ASP A 40 -5.130 -6.343 -11.675 1.00 0.00 N ATOM 662 CA ASP A 40 -3.744 -6.883 -11.792 1.00 0.00 C ATOM 663 C ASP A 40 -3.120 -7.070 -10.405 1.00 0.00 C ATOM 664 O ASP A 40 -2.629 -8.130 -10.078 1.00 0.00 O ATOM 665 CB ASP A 40 -2.888 -5.912 -12.605 1.00 0.00 C ATOM 666 CG ASP A 40 -1.595 -6.605 -13.037 1.00 0.00 C ATOM 667 OD1 ASP A 40 -1.258 -7.612 -12.437 1.00 0.00 O ATOM 668 OD2 ASP A 40 -0.964 -6.118 -13.960 1.00 0.00 O ATOM 0 H ASP A 40 -5.274 -5.424 -12.093 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.786 -7.851 -12.292 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.440 -5.571 -13.481 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -2.657 -5.029 -12.010 1.00 0.00 H new ATOM 673 N ILE A 41 -3.117 -6.048 -9.592 1.00 0.00 N ATOM 674 CA ILE A 41 -2.502 -6.178 -8.237 1.00 0.00 C ATOM 675 C ILE A 41 -3.152 -7.338 -7.471 1.00 0.00 C ATOM 676 O ILE A 41 -2.493 -8.286 -7.096 1.00 0.00 O ATOM 677 CB ILE A 41 -2.681 -4.866 -7.458 1.00 0.00 C ATOM 678 CG1 ILE A 41 -2.187 -5.051 -6.017 1.00 0.00 C ATOM 679 CG2 ILE A 41 -4.157 -4.457 -7.442 1.00 0.00 C ATOM 680 CD1 ILE A 41 -2.281 -3.725 -5.254 1.00 0.00 C ATOM 0 H ILE A 41 -3.512 -5.132 -9.805 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.438 -6.385 -8.348 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.100 -4.084 -7.947 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.784 -5.812 -5.514 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.156 -5.405 -6.020 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.271 -3.526 -6.887 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.506 -4.315 -8.465 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.746 -5.239 -6.963 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.928 -3.867 -4.233 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.664 -2.975 -5.750 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.317 -3.388 -5.236 1.00 0.00 H new ATOM 692 N ILE A 42 -4.431 -7.269 -7.226 1.00 0.00 N ATOM 693 CA ILE A 42 -5.105 -8.367 -6.472 1.00 0.00 C ATOM 694 C ILE A 42 -4.887 -9.703 -7.188 1.00 0.00 C ATOM 695 O ILE A 42 -4.674 -10.724 -6.567 1.00 0.00 O ATOM 696 CB ILE A 42 -6.605 -8.074 -6.381 1.00 0.00 C ATOM 697 CG1 ILE A 42 -7.275 -9.119 -5.485 1.00 0.00 C ATOM 698 CG2 ILE A 42 -7.223 -8.129 -7.779 1.00 0.00 C ATOM 699 CD1 ILE A 42 -8.712 -8.689 -5.184 1.00 0.00 C ATOM 0 H ILE A 42 -5.039 -6.502 -7.514 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.681 -8.427 -5.469 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.756 -7.081 -5.957 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -7.271 -10.092 -5.977 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.715 -9.229 -4.556 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -8.291 -7.920 -7.713 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -6.746 -7.385 -8.417 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -7.073 -9.121 -8.204 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -9.188 -9.433 -4.546 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.704 -7.726 -4.674 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -9.269 -8.601 -6.117 1.00 0.00 H new ATOM 711 N ARG A 43 -4.947 -9.703 -8.491 1.00 0.00 N ATOM 712 CA ARG A 43 -4.754 -10.972 -9.253 1.00 0.00 C ATOM 713 C ARG A 43 -3.338 -11.515 -9.030 1.00 0.00 C ATOM 714 O ARG A 43 -3.135 -12.708 -8.918 1.00 0.00 O ATOM 715 CB ARG A 43 -4.962 -10.702 -10.747 1.00 0.00 C ATOM 716 CG ARG A 43 -4.622 -11.960 -11.551 1.00 0.00 C ATOM 717 CD ARG A 43 -5.045 -11.768 -13.008 1.00 0.00 C ATOM 718 NE ARG A 43 -4.533 -12.904 -13.825 1.00 0.00 N ATOM 719 CZ ARG A 43 -4.947 -13.062 -15.053 1.00 0.00 C ATOM 720 NH1 ARG A 43 -5.805 -12.223 -15.565 1.00 0.00 N ATOM 721 NH2 ARG A 43 -4.501 -14.058 -15.769 1.00 0.00 N ATOM 0 H ARG A 43 -5.122 -8.877 -9.064 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.477 -11.709 -8.903 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -5.995 -10.408 -10.933 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.332 -9.872 -11.068 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -3.552 -12.161 -11.496 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.131 -12.825 -11.125 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -6.131 -11.715 -13.079 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.654 -10.825 -13.391 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.860 -13.558 -13.425 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.152 -11.444 -15.006 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.129 -12.346 -16.524 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.829 -14.713 -15.369 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.824 -14.181 -16.728 1.00 0.00 H new ATOM 735 N TYR A 44 -2.357 -10.658 -8.981 1.00 0.00 N ATOM 736 CA TYR A 44 -0.961 -11.135 -8.787 1.00 0.00 C ATOM 737 C TYR A 44 -0.776 -11.595 -7.343 1.00 0.00 C ATOM 738 O TYR A 44 -0.101 -12.568 -7.072 1.00 0.00 O ATOM 739 CB TYR A 44 0.012 -9.989 -9.089 1.00 0.00 C ATOM 740 CG TYR A 44 0.279 -9.914 -10.576 1.00 0.00 C ATOM 741 CD1 TYR A 44 -0.754 -10.149 -11.494 1.00 0.00 C ATOM 742 CD2 TYR A 44 1.565 -9.608 -11.037 1.00 0.00 C ATOM 743 CE1 TYR A 44 -0.500 -10.076 -12.868 1.00 0.00 C ATOM 744 CE2 TYR A 44 1.819 -9.535 -12.410 1.00 0.00 C ATOM 745 CZ TYR A 44 0.787 -9.770 -13.327 1.00 0.00 C ATOM 746 OH TYR A 44 1.038 -9.699 -14.683 1.00 0.00 O ATOM 0 H TYR A 44 -2.462 -9.647 -9.067 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.762 -11.969 -9.460 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.405 -9.045 -8.738 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.947 -10.144 -8.551 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.746 -10.387 -11.141 1.00 0.00 H new ATOM 0 HD2 TYR A 44 2.362 -9.428 -10.331 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.297 -10.256 -13.575 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.811 -9.297 -12.763 1.00 0.00 H new ATOM 0 HH TYR A 44 1.981 -9.475 -14.830 1.00 0.00 H new ATOM 756 N TYR A 45 -1.354 -10.892 -6.413 1.00 0.00 N ATOM 757 CA TYR A 45 -1.198 -11.272 -4.981 1.00 0.00 C ATOM 758 C TYR A 45 -2.291 -12.253 -4.565 1.00 0.00 C ATOM 759 O TYR A 45 -2.032 -13.416 -4.328 1.00 0.00 O ATOM 760 CB TYR A 45 -1.279 -10.011 -4.125 1.00 0.00 C ATOM 761 CG TYR A 45 -0.040 -9.192 -4.373 1.00 0.00 C ATOM 762 CD1 TYR A 45 1.203 -9.673 -3.954 1.00 0.00 C ATOM 763 CD2 TYR A 45 -0.131 -7.964 -5.036 1.00 0.00 C ATOM 764 CE1 TYR A 45 2.358 -8.926 -4.195 1.00 0.00 C ATOM 765 CE2 TYR A 45 1.025 -7.216 -5.281 1.00 0.00 C ATOM 766 CZ TYR A 45 2.270 -7.698 -4.858 1.00 0.00 C ATOM 767 OH TYR A 45 3.411 -6.966 -5.097 1.00 0.00 O ATOM 0 H TYR A 45 -1.930 -10.067 -6.582 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.232 -11.757 -4.840 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -2.171 -9.437 -4.378 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -1.357 -10.273 -3.070 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.271 -10.622 -3.444 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.093 -7.594 -5.358 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.319 -9.297 -3.869 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.958 -6.269 -5.795 1.00 0.00 H new ATOM 0 HH TYR A 45 4.102 -7.551 -5.473 1.00 0.00 H new ATOM 777 N THR A 46 -3.509 -11.802 -4.459 1.00 0.00 N ATOM 778 CA THR A 46 -4.597 -12.723 -4.042 1.00 0.00 C ATOM 779 C THR A 46 -4.153 -13.478 -2.785 1.00 0.00 C ATOM 780 O THR A 46 -4.757 -14.454 -2.383 1.00 0.00 O ATOM 781 CB THR A 46 -4.877 -13.719 -5.171 1.00 0.00 C ATOM 782 OG1 THR A 46 -4.663 -13.082 -6.424 1.00 0.00 O ATOM 783 CG2 THR A 46 -6.324 -14.200 -5.085 1.00 0.00 C ATOM 0 H THR A 46 -3.796 -10.840 -4.642 1.00 0.00 H new ATOM 0 HA THR A 46 -5.504 -12.158 -3.829 1.00 0.00 H new ATOM 0 HB THR A 46 -4.207 -14.574 -5.075 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.947 -12.146 -6.368 1.00 0.00 H new ATOM 0 HG21 THR A 46 -6.520 -14.909 -5.890 1.00 0.00 H new ATOM 0 HG22 THR A 46 -6.489 -14.687 -4.124 1.00 0.00 H new ATOM 0 HG23 THR A 46 -6.997 -13.348 -5.180 1.00 0.00 H new ATOM 791 N ARG A 47 -3.090 -13.033 -2.167 1.00 0.00 N ATOM 792 CA ARG A 47 -2.585 -13.716 -0.940 1.00 0.00 C ATOM 793 C ARG A 47 -3.115 -13.002 0.307 1.00 0.00 C ATOM 794 O ARG A 47 -2.577 -12.000 0.735 1.00 0.00 O ATOM 795 CB ARG A 47 -1.053 -13.677 -0.937 1.00 0.00 C ATOM 796 CG ARG A 47 -0.569 -12.306 -1.432 1.00 0.00 C ATOM 797 CD ARG A 47 0.822 -12.003 -0.862 1.00 0.00 C ATOM 798 NE ARG A 47 1.091 -10.539 -0.965 1.00 0.00 N ATOM 799 CZ ARG A 47 0.673 -9.730 -0.029 1.00 0.00 C ATOM 800 NH1 ARG A 47 0.014 -10.198 0.995 1.00 0.00 N ATOM 801 NH2 ARG A 47 0.914 -8.450 -0.119 1.00 0.00 N ATOM 0 H ARG A 47 -2.547 -12.221 -2.462 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.928 -14.750 -0.933 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.677 -13.865 0.069 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.658 -14.466 -1.577 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.535 -12.295 -2.521 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.272 -11.531 -1.127 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.878 -12.322 0.179 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.581 -12.563 -1.408 1.00 0.00 H new ATOM 0 HE ARG A 47 1.602 -10.170 -1.767 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.176 -11.198 1.066 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.312 -9.564 1.725 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.428 -8.083 -0.920 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.588 -7.817 0.611 1.00 0.00 H new ATOM 815 N GLU A 48 -4.160 -13.513 0.900 1.00 0.00 N ATOM 816 CA GLU A 48 -4.713 -12.864 2.125 1.00 0.00 C ATOM 817 C GLU A 48 -5.914 -13.666 2.632 1.00 0.00 C ATOM 818 O GLU A 48 -6.324 -14.639 2.030 1.00 0.00 O ATOM 819 CB GLU A 48 -5.158 -11.432 1.800 1.00 0.00 C ATOM 820 CG GLU A 48 -5.908 -11.403 0.458 1.00 0.00 C ATOM 821 CD GLU A 48 -5.036 -10.738 -0.612 1.00 0.00 C ATOM 822 OE1 GLU A 48 -4.444 -9.715 -0.314 1.00 0.00 O ATOM 823 OE2 GLU A 48 -4.978 -11.263 -1.711 1.00 0.00 O ATOM 0 H GLU A 48 -4.654 -14.350 0.591 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.941 -12.836 2.894 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.802 -11.054 2.594 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.290 -10.775 1.754 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.164 -12.418 0.152 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.845 -10.857 0.567 1.00 0.00 H new ATOM 830 N ALA A 49 -6.480 -13.262 3.737 1.00 0.00 N ATOM 831 CA ALA A 49 -7.657 -13.992 4.293 1.00 0.00 C ATOM 832 C ALA A 49 -8.618 -12.988 4.932 1.00 0.00 C ATOM 833 O ALA A 49 -8.984 -13.109 6.085 1.00 0.00 O ATOM 834 CB ALA A 49 -7.186 -14.992 5.351 1.00 0.00 C ATOM 0 H ALA A 49 -6.177 -12.454 4.281 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.166 -14.527 3.492 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.046 -15.525 5.757 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.498 -15.705 4.897 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.677 -14.459 6.154 1.00 0.00 H new ATOM 840 N GLY A 50 -9.027 -11.994 4.192 1.00 0.00 N ATOM 841 CA GLY A 50 -9.963 -10.977 4.752 1.00 0.00 C ATOM 842 C GLY A 50 -9.966 -9.745 3.847 1.00 0.00 C ATOM 843 O GLY A 50 -8.991 -9.447 3.185 1.00 0.00 O ATOM 0 H GLY A 50 -8.753 -11.842 3.221 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.968 -11.392 4.825 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.658 -10.701 5.761 1.00 0.00 H new ATOM 847 N VAL A 51 -11.054 -9.028 3.808 1.00 0.00 N ATOM 848 CA VAL A 51 -11.115 -7.820 2.938 1.00 0.00 C ATOM 849 C VAL A 51 -10.289 -6.692 3.558 1.00 0.00 C ATOM 850 O VAL A 51 -9.574 -5.989 2.872 1.00 0.00 O ATOM 851 CB VAL A 51 -12.568 -7.365 2.787 1.00 0.00 C ATOM 852 CG1 VAL A 51 -13.357 -8.424 2.015 1.00 0.00 C ATOM 853 CG2 VAL A 51 -13.195 -7.169 4.169 1.00 0.00 C ATOM 0 H VAL A 51 -11.902 -9.225 4.339 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.709 -8.067 1.957 1.00 0.00 H new ATOM 0 HB VAL A 51 -12.594 -6.421 2.242 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -14.392 -8.100 1.907 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -12.915 -8.560 1.028 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -13.327 -9.368 2.559 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -14.230 -6.845 4.057 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -13.167 -8.110 4.718 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -12.635 -6.412 4.718 1.00 0.00 H new ATOM 863 N ARG A 52 -10.379 -6.509 4.848 1.00 0.00 N ATOM 864 CA ARG A 52 -9.597 -5.421 5.505 1.00 0.00 C ATOM 865 C ARG A 52 -8.168 -5.412 4.958 1.00 0.00 C ATOM 866 O ARG A 52 -7.666 -4.395 4.523 1.00 0.00 O ATOM 867 CB ARG A 52 -9.559 -5.659 7.019 1.00 0.00 C ATOM 868 CG ARG A 52 -8.981 -4.420 7.724 1.00 0.00 C ATOM 869 CD ARG A 52 -7.965 -4.852 8.784 1.00 0.00 C ATOM 870 NE ARG A 52 -8.642 -5.695 9.810 1.00 0.00 N ATOM 871 CZ ARG A 52 -9.295 -5.134 10.790 1.00 0.00 C ATOM 872 NH1 ARG A 52 -9.361 -3.833 10.872 1.00 0.00 N ATOM 873 NH2 ARG A 52 -9.884 -5.873 11.690 1.00 0.00 N ATOM 0 H ARG A 52 -10.960 -7.065 5.475 1.00 0.00 H new ATOM 0 HA ARG A 52 -10.072 -4.462 5.298 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.563 -5.865 7.390 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.950 -6.535 7.244 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.503 -3.765 6.995 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -9.784 -3.847 8.189 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.153 -5.410 8.318 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.520 -3.975 9.255 1.00 0.00 H new ATOM 0 HE ARG A 52 -8.595 -6.712 9.746 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.902 -3.254 10.169 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -9.872 -3.396 11.639 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.834 -6.890 11.627 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.394 -5.434 12.456 1.00 0.00 H new ATOM 887 N SER A 53 -7.508 -6.538 4.974 1.00 0.00 N ATOM 888 CA SER A 53 -6.113 -6.590 4.454 1.00 0.00 C ATOM 889 C SER A 53 -6.098 -6.150 2.992 1.00 0.00 C ATOM 890 O SER A 53 -5.279 -5.352 2.581 1.00 0.00 O ATOM 891 CB SER A 53 -5.580 -8.017 4.562 1.00 0.00 C ATOM 892 OG SER A 53 -5.922 -8.552 5.834 1.00 0.00 O ATOM 0 H SER A 53 -7.874 -7.423 5.324 1.00 0.00 H new ATOM 0 HA SER A 53 -5.482 -5.922 5.041 1.00 0.00 H new ATOM 0 HB2 SER A 53 -6.001 -8.636 3.769 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.498 -8.024 4.431 1.00 0.00 H new ATOM 0 HG SER A 53 -5.583 -9.469 5.905 1.00 0.00 H new ATOM 898 N LEU A 54 -7.000 -6.662 2.202 1.00 0.00 N ATOM 899 CA LEU A 54 -7.037 -6.268 0.767 1.00 0.00 C ATOM 900 C LEU A 54 -7.072 -4.741 0.679 1.00 0.00 C ATOM 901 O LEU A 54 -6.388 -4.138 -0.124 1.00 0.00 O ATOM 902 CB LEU A 54 -8.291 -6.863 0.106 1.00 0.00 C ATOM 903 CG LEU A 54 -7.896 -7.696 -1.120 1.00 0.00 C ATOM 904 CD1 LEU A 54 -9.097 -8.521 -1.583 1.00 0.00 C ATOM 905 CD2 LEU A 54 -7.453 -6.762 -2.251 1.00 0.00 C ATOM 0 H LEU A 54 -7.712 -7.335 2.487 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.154 -6.644 0.250 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.828 -7.486 0.821 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.969 -6.063 -0.191 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.075 -8.363 -0.857 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.817 -9.113 -2.454 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -9.414 -9.185 -0.779 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -9.917 -7.853 -1.846 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.172 -7.354 -3.122 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.274 -6.095 -2.514 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.597 -6.172 -1.922 1.00 0.00 H new ATOM 917 N GLU A 55 -7.858 -4.113 1.509 1.00 0.00 N ATOM 918 CA GLU A 55 -7.936 -2.628 1.486 1.00 0.00 C ATOM 919 C GLU A 55 -6.576 -2.047 1.872 1.00 0.00 C ATOM 920 O GLU A 55 -6.135 -1.058 1.323 1.00 0.00 O ATOM 921 CB GLU A 55 -8.996 -2.152 2.482 1.00 0.00 C ATOM 922 CG GLU A 55 -10.336 -2.821 2.166 1.00 0.00 C ATOM 923 CD GLU A 55 -11.332 -2.529 3.289 1.00 0.00 C ATOM 924 OE1 GLU A 55 -11.101 -1.585 4.029 1.00 0.00 O ATOM 925 OE2 GLU A 55 -12.309 -3.252 3.391 1.00 0.00 O ATOM 0 H GLU A 55 -8.451 -4.567 2.204 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.208 -2.293 0.485 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.688 -2.394 3.499 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.098 -1.068 2.429 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.724 -2.451 1.217 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.200 -3.897 2.057 1.00 0.00 H new ATOM 932 N ARG A 56 -5.907 -2.650 2.816 1.00 0.00 N ATOM 933 CA ARG A 56 -4.578 -2.126 3.234 1.00 0.00 C ATOM 934 C ARG A 56 -3.587 -2.275 2.075 1.00 0.00 C ATOM 935 O ARG A 56 -2.772 -1.409 1.829 1.00 0.00 O ATOM 936 CB ARG A 56 -4.082 -2.909 4.460 1.00 0.00 C ATOM 937 CG ARG A 56 -3.361 -1.967 5.433 1.00 0.00 C ATOM 938 CD ARG A 56 -3.051 -2.714 6.731 1.00 0.00 C ATOM 939 NE ARG A 56 -2.023 -1.964 7.507 1.00 0.00 N ATOM 940 CZ ARG A 56 -2.336 -0.839 8.089 1.00 0.00 C ATOM 941 NH1 ARG A 56 -3.545 -0.361 7.979 1.00 0.00 N ATOM 942 NH2 ARG A 56 -1.439 -0.190 8.781 1.00 0.00 N ATOM 0 H ARG A 56 -6.223 -3.482 3.315 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.662 -1.072 3.497 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.924 -3.386 4.961 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.407 -3.704 4.144 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.439 -1.599 4.983 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.983 -1.097 5.642 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.959 -2.825 7.324 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.691 -3.718 6.507 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.074 -2.330 7.583 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.246 -0.867 7.438 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.789 0.519 8.434 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.493 -0.562 8.867 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.684 0.689 9.236 1.00 0.00 H new ATOM 956 N GLN A 57 -3.649 -3.367 1.361 1.00 0.00 N ATOM 957 CA GLN A 57 -2.709 -3.563 0.219 1.00 0.00 C ATOM 958 C GLN A 57 -3.014 -2.529 -0.871 1.00 0.00 C ATOM 959 O GLN A 57 -2.126 -1.878 -1.388 1.00 0.00 O ATOM 960 CB GLN A 57 -2.882 -4.980 -0.349 1.00 0.00 C ATOM 961 CG GLN A 57 -1.788 -5.898 0.206 1.00 0.00 C ATOM 962 CD GLN A 57 -1.842 -5.891 1.735 1.00 0.00 C ATOM 963 OE1 GLN A 57 -2.825 -6.297 2.322 1.00 0.00 O ATOM 964 NE2 GLN A 57 -0.818 -5.446 2.409 1.00 0.00 N ATOM 0 H GLN A 57 -4.308 -4.130 1.518 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.682 -3.436 0.563 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.865 -5.370 -0.085 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -2.831 -4.954 -1.437 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.925 -6.912 -0.169 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -0.809 -5.562 -0.135 1.00 0.00 H new ATOM 0 HE21 GLN A 57 0.008 -5.105 1.916 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -0.843 -5.439 3.429 1.00 0.00 H new ATOM 973 N LEU A 58 -4.261 -2.372 -1.224 1.00 0.00 N ATOM 974 CA LEU A 58 -4.618 -1.381 -2.277 1.00 0.00 C ATOM 975 C LEU A 58 -4.285 0.020 -1.774 1.00 0.00 C ATOM 976 O LEU A 58 -3.733 0.834 -2.485 1.00 0.00 O ATOM 977 CB LEU A 58 -6.114 -1.481 -2.584 1.00 0.00 C ATOM 978 CG LEU A 58 -6.464 -2.934 -2.930 1.00 0.00 C ATOM 979 CD1 LEU A 58 -7.938 -3.204 -2.615 1.00 0.00 C ATOM 980 CD2 LEU A 58 -6.210 -3.182 -4.420 1.00 0.00 C ATOM 0 H LEU A 58 -5.047 -2.887 -0.828 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.053 -1.585 -3.186 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.696 -1.149 -1.724 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.371 -0.825 -3.416 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.840 -3.602 -2.336 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.180 -4.238 -2.863 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.121 -3.033 -1.554 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.565 -2.534 -3.203 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.459 -4.215 -4.665 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.831 -2.509 -5.012 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.159 -2.999 -4.645 1.00 0.00 H new ATOM 992 N ALA A 59 -4.593 0.300 -0.542 1.00 0.00 N ATOM 993 CA ALA A 59 -4.268 1.637 0.013 1.00 0.00 C ATOM 994 C ALA A 59 -2.751 1.809 -0.017 1.00 0.00 C ATOM 995 O ALA A 59 -2.238 2.882 -0.265 1.00 0.00 O ATOM 996 CB ALA A 59 -4.771 1.733 1.455 1.00 0.00 C ATOM 0 H ALA A 59 -5.056 -0.340 0.104 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.748 2.418 -0.577 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.531 2.716 1.860 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.851 1.587 1.474 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.290 0.964 2.060 1.00 0.00 H new ATOM 1002 N ALA A 60 -2.034 0.751 0.248 1.00 0.00 N ATOM 1003 CA ALA A 60 -0.543 0.827 0.255 1.00 0.00 C ATOM 1004 C ALA A 60 -0.019 1.242 -1.123 1.00 0.00 C ATOM 1005 O ALA A 60 0.757 2.166 -1.241 1.00 0.00 O ATOM 1006 CB ALA A 60 0.034 -0.543 0.620 1.00 0.00 C ATOM 0 H ALA A 60 -2.419 -0.169 0.461 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.235 1.571 0.989 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.123 -0.490 0.626 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.320 -0.835 1.609 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.289 -1.281 -0.114 1.00 0.00 H new ATOM 1012 N ILE A 61 -0.414 0.562 -2.165 1.00 0.00 N ATOM 1013 CA ILE A 61 0.095 0.928 -3.521 1.00 0.00 C ATOM 1014 C ILE A 61 -0.330 2.361 -3.866 1.00 0.00 C ATOM 1015 O ILE A 61 0.456 3.157 -4.346 1.00 0.00 O ATOM 1016 CB ILE A 61 -0.455 -0.065 -4.566 1.00 0.00 C ATOM 1017 CG1 ILE A 61 0.552 -0.214 -5.711 1.00 0.00 C ATOM 1018 CG2 ILE A 61 -1.790 0.430 -5.138 1.00 0.00 C ATOM 1019 CD1 ILE A 61 -0.015 -1.167 -6.768 1.00 0.00 C ATOM 0 H ILE A 61 -1.062 -0.225 -2.139 1.00 0.00 H new ATOM 0 HA ILE A 61 1.184 0.877 -3.527 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.614 -1.026 -4.076 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.759 0.759 -6.157 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.498 -0.598 -5.330 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.159 -0.286 -5.873 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.517 0.530 -4.332 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.644 1.398 -5.617 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.701 -1.274 -7.583 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.200 -2.142 -6.317 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.950 -0.764 -7.157 1.00 0.00 H new ATOM 1031 N CYS A 62 -1.569 2.693 -3.633 1.00 0.00 N ATOM 1032 CA CYS A 62 -2.051 4.063 -3.955 1.00 0.00 C ATOM 1033 C CYS A 62 -1.213 5.105 -3.212 1.00 0.00 C ATOM 1034 O CYS A 62 -0.460 5.847 -3.812 1.00 0.00 O ATOM 1035 CB CYS A 62 -3.517 4.192 -3.545 1.00 0.00 C ATOM 1036 SG CYS A 62 -4.548 3.311 -4.744 1.00 0.00 S ATOM 0 H CYS A 62 -2.271 2.071 -3.232 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.954 4.235 -5.027 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -3.666 3.780 -2.547 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.804 5.243 -3.502 1.00 0.00 H new ATOM 0 HG CYS A 62 -5.045 2.246 -4.189 1.00 0.00 H new ATOM 1042 N ARG A 63 -1.335 5.179 -1.914 1.00 0.00 N ATOM 1043 CA ARG A 63 -0.540 6.188 -1.162 1.00 0.00 C ATOM 1044 C ARG A 63 0.938 6.027 -1.506 1.00 0.00 C ATOM 1045 O ARG A 63 1.629 6.997 -1.745 1.00 0.00 O ATOM 1046 CB ARG A 63 -0.750 6.010 0.340 1.00 0.00 C ATOM 1047 CG ARG A 63 -0.287 4.613 0.785 1.00 0.00 C ATOM 1048 CD ARG A 63 1.085 4.710 1.461 1.00 0.00 C ATOM 1049 NE ARG A 63 0.977 5.551 2.686 1.00 0.00 N ATOM 1050 CZ ARG A 63 0.455 5.054 3.774 1.00 0.00 C ATOM 1051 NH1 ARG A 63 0.030 3.820 3.791 1.00 0.00 N ATOM 1052 NH2 ARG A 63 0.358 5.793 4.846 1.00 0.00 N ATOM 0 H ARG A 63 -1.945 4.590 -1.347 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.870 7.188 -1.443 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.195 6.774 0.884 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.803 6.146 0.585 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -1.013 4.182 1.475 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.232 3.947 -0.076 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.445 3.715 1.721 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.811 5.142 0.773 1.00 0.00 H new ATOM 0 HE ARG A 63 1.311 6.515 2.674 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.106 3.243 2.953 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -0.378 3.433 4.642 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.690 6.757 4.832 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.050 5.406 5.697 1.00 0.00 H new ATOM 1066 N LYS A 64 1.430 4.815 -1.563 1.00 0.00 N ATOM 1067 CA LYS A 64 2.861 4.622 -1.928 1.00 0.00 C ATOM 1068 C LYS A 64 3.134 5.513 -3.132 1.00 0.00 C ATOM 1069 O LYS A 64 4.158 6.158 -3.235 1.00 0.00 O ATOM 1070 CB LYS A 64 3.107 3.152 -2.292 1.00 0.00 C ATOM 1071 CG LYS A 64 4.501 2.992 -2.906 1.00 0.00 C ATOM 1072 CD LYS A 64 5.552 3.584 -1.963 1.00 0.00 C ATOM 1073 CE LYS A 64 6.920 2.970 -2.269 1.00 0.00 C ATOM 1074 NZ LYS A 64 7.274 3.226 -3.693 1.00 0.00 N ATOM 0 H LYS A 64 0.906 3.960 -1.374 1.00 0.00 H new ATOM 0 HA LYS A 64 3.519 4.880 -1.098 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.018 2.529 -1.402 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.349 2.811 -2.997 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.711 1.937 -3.084 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.543 3.493 -3.873 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.593 4.667 -2.082 1.00 0.00 H new ATOM 0 HD3 LYS A 64 5.277 3.387 -0.927 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.677 3.398 -1.613 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.900 1.897 -2.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.281 3.476 -3.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.091 2.370 -4.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.697 4.010 -4.059 1.00 0.00 H new ATOM 1088 N ALA A 65 2.188 5.574 -4.025 1.00 0.00 N ATOM 1089 CA ALA A 65 2.333 6.445 -5.216 1.00 0.00 C ATOM 1090 C ALA A 65 2.243 7.903 -4.759 1.00 0.00 C ATOM 1091 O ALA A 65 2.950 8.763 -5.247 1.00 0.00 O ATOM 1092 CB ALA A 65 1.209 6.140 -6.207 1.00 0.00 C ATOM 0 H ALA A 65 1.313 5.052 -3.978 1.00 0.00 H new ATOM 0 HA ALA A 65 3.291 6.267 -5.704 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.313 6.779 -7.084 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.266 5.095 -6.511 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.245 6.328 -5.733 1.00 0.00 H new ATOM 1098 N ALA A 66 1.377 8.189 -3.817 1.00 0.00 N ATOM 1099 CA ALA A 66 1.245 9.589 -3.326 1.00 0.00 C ATOM 1100 C ALA A 66 2.594 10.062 -2.782 1.00 0.00 C ATOM 1101 O ALA A 66 2.992 11.193 -2.974 1.00 0.00 O ATOM 1102 CB ALA A 66 0.199 9.641 -2.210 1.00 0.00 C ATOM 0 H ALA A 66 0.759 7.512 -3.370 1.00 0.00 H new ATOM 0 HA ALA A 66 0.933 10.237 -4.146 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.102 10.665 -1.850 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.762 9.299 -2.595 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.511 8.996 -1.389 1.00 0.00 H new ATOM 1108 N LYS A 67 3.300 9.203 -2.102 1.00 0.00 N ATOM 1109 CA LYS A 67 4.622 9.599 -1.543 1.00 0.00 C ATOM 1110 C LYS A 67 5.582 9.931 -2.685 1.00 0.00 C ATOM 1111 O LYS A 67 6.356 10.865 -2.608 1.00 0.00 O ATOM 1112 CB LYS A 67 5.190 8.443 -0.718 1.00 0.00 C ATOM 1113 CG LYS A 67 6.462 8.904 -0.005 1.00 0.00 C ATOM 1114 CD LYS A 67 6.943 7.806 0.948 1.00 0.00 C ATOM 1115 CE LYS A 67 7.947 8.396 1.939 1.00 0.00 C ATOM 1116 NZ LYS A 67 7.296 9.495 2.708 1.00 0.00 N ATOM 0 H LYS A 67 3.018 8.242 -1.909 1.00 0.00 H new ATOM 0 HA LYS A 67 4.500 10.476 -0.907 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.453 8.106 0.011 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.410 7.594 -1.365 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.238 9.131 -0.735 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.268 9.822 0.550 1.00 0.00 H new ATOM 0 HD2 LYS A 67 6.096 7.378 1.484 1.00 0.00 H new ATOM 0 HD3 LYS A 67 7.406 6.996 0.383 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.301 7.622 2.619 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.819 8.776 1.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.570 9.428 3.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.601 10.413 2.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.263 9.412 2.625 1.00 0.00 H new ATOM 1130 N ALA A 68 5.540 9.173 -3.745 1.00 0.00 N ATOM 1131 CA ALA A 68 6.451 9.443 -4.893 1.00 0.00 C ATOM 1132 C ALA A 68 6.293 10.898 -5.341 1.00 0.00 C ATOM 1133 O ALA A 68 7.019 11.377 -6.189 1.00 0.00 O ATOM 1134 CB ALA A 68 6.101 8.512 -6.055 1.00 0.00 C ATOM 0 H ALA A 68 4.914 8.377 -3.866 1.00 0.00 H new ATOM 0 HA ALA A 68 7.482 9.267 -4.585 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.768 8.711 -6.894 1.00 0.00 H new ATOM 0 HB2 ALA A 68 6.215 7.475 -5.738 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.070 8.686 -6.362 1.00 0.00 H new ATOM 1140 N ILE A 69 5.353 11.606 -4.777 1.00 0.00 N ATOM 1141 CA ILE A 69 5.154 13.030 -5.171 1.00 0.00 C ATOM 1142 C ILE A 69 6.509 13.745 -5.177 1.00 0.00 C ATOM 1143 O ILE A 69 6.661 14.801 -5.757 1.00 0.00 O ATOM 1144 CB ILE A 69 4.207 13.705 -4.168 1.00 0.00 C ATOM 1145 CG1 ILE A 69 2.750 13.365 -4.528 1.00 0.00 C ATOM 1146 CG2 ILE A 69 4.407 15.226 -4.195 1.00 0.00 C ATOM 1147 CD1 ILE A 69 2.209 14.358 -5.562 1.00 0.00 C ATOM 0 H ILE A 69 4.714 11.260 -4.061 1.00 0.00 H new ATOM 0 HA ILE A 69 4.716 13.083 -6.168 1.00 0.00 H new ATOM 0 HB ILE A 69 4.428 13.338 -3.166 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.694 12.351 -4.924 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.131 13.391 -3.631 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.731 15.695 -3.480 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.437 15.462 -3.929 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.195 15.603 -5.196 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.178 14.104 -5.806 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.247 15.367 -5.152 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.818 14.311 -6.465 1.00 0.00 H new ATOM 1159 N VAL A 70 7.494 13.176 -4.537 1.00 0.00 N ATOM 1160 CA VAL A 70 8.836 13.823 -4.511 1.00 0.00 C ATOM 1161 C VAL A 70 9.579 13.497 -5.809 1.00 0.00 C ATOM 1162 O VAL A 70 10.575 14.111 -6.136 1.00 0.00 O ATOM 1163 CB VAL A 70 9.636 13.294 -3.319 1.00 0.00 C ATOM 1164 CG1 VAL A 70 9.783 11.776 -3.435 1.00 0.00 C ATOM 1165 CG2 VAL A 70 11.022 13.941 -3.310 1.00 0.00 C ATOM 0 H VAL A 70 7.427 12.292 -4.032 1.00 0.00 H new ATOM 0 HA VAL A 70 8.719 14.903 -4.417 1.00 0.00 H new ATOM 0 HB VAL A 70 9.114 13.538 -2.394 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.353 11.400 -2.586 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.796 11.314 -3.443 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.305 11.531 -4.360 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.593 13.565 -2.461 1.00 0.00 H new ATOM 0 HG22 VAL A 70 11.544 13.697 -4.235 1.00 0.00 H new ATOM 0 HG23 VAL A 70 10.918 15.023 -3.227 1.00 0.00 H new ATOM 1175 N ALA A 71 9.100 12.535 -6.550 1.00 0.00 N ATOM 1176 CA ALA A 71 9.775 12.169 -7.826 1.00 0.00 C ATOM 1177 C ALA A 71 9.299 13.102 -8.940 1.00 0.00 C ATOM 1178 O ALA A 71 8.649 14.099 -8.692 1.00 0.00 O ATOM 1179 CB ALA A 71 9.429 10.723 -8.190 1.00 0.00 C ATOM 0 H ALA A 71 8.270 11.987 -6.326 1.00 0.00 H new ATOM 0 HA ALA A 71 10.854 12.266 -7.707 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.923 10.455 -9.124 1.00 0.00 H new ATOM 0 HB2 ALA A 71 9.767 10.057 -7.396 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.350 10.626 -8.309 1.00 0.00 H new ATOM 1185 N GLU A 72 9.616 12.788 -10.166 1.00 0.00 N ATOM 1186 CA GLU A 72 9.181 13.658 -11.298 1.00 0.00 C ATOM 1187 C GLU A 72 7.854 13.143 -11.858 1.00 0.00 C ATOM 1188 O GLU A 72 7.771 12.719 -12.994 1.00 0.00 O ATOM 1189 CB GLU A 72 10.242 13.629 -12.399 1.00 0.00 C ATOM 1190 CG GLU A 72 11.470 14.422 -11.948 1.00 0.00 C ATOM 1191 CD GLU A 72 11.156 15.919 -11.981 1.00 0.00 C ATOM 1192 OE1 GLU A 72 10.173 16.285 -12.604 1.00 0.00 O ATOM 1193 OE2 GLU A 72 11.905 16.675 -11.384 1.00 0.00 O ATOM 0 H GLU A 72 10.158 11.966 -10.434 1.00 0.00 H new ATOM 0 HA GLU A 72 9.053 14.680 -10.941 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.523 12.599 -12.621 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.839 14.055 -13.318 1.00 0.00 H new ATOM 0 HG2 GLU A 72 11.758 14.123 -10.940 1.00 0.00 H new ATOM 0 HG3 GLU A 72 12.316 14.203 -12.600 1.00 0.00 H new ATOM 1200 N GLU A 73 6.811 13.174 -11.073 1.00 0.00 N ATOM 1201 CA GLU A 73 5.494 12.685 -11.567 1.00 0.00 C ATOM 1202 C GLU A 73 4.382 13.173 -10.635 1.00 0.00 C ATOM 1203 O GLU A 73 3.733 12.393 -9.966 1.00 0.00 O ATOM 1204 CB GLU A 73 5.499 11.154 -11.598 1.00 0.00 C ATOM 1205 CG GLU A 73 4.312 10.657 -12.426 1.00 0.00 C ATOM 1206 CD GLU A 73 4.236 9.131 -12.343 1.00 0.00 C ATOM 1207 OE1 GLU A 73 3.725 8.637 -11.352 1.00 0.00 O ATOM 1208 OE2 GLU A 73 4.689 8.485 -13.273 1.00 0.00 O ATOM 0 H GLU A 73 6.815 13.517 -10.112 1.00 0.00 H new ATOM 0 HA GLU A 73 5.318 13.070 -12.571 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.433 10.791 -12.027 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.440 10.759 -10.584 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.387 11.099 -12.056 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.422 10.970 -13.464 1.00 0.00 H new ATOM 1215 N ARG A 74 4.155 14.460 -10.589 1.00 0.00 N ATOM 1216 CA ARG A 74 3.085 15.004 -9.702 1.00 0.00 C ATOM 1217 C ARG A 74 1.845 15.329 -10.538 1.00 0.00 C ATOM 1218 O ARG A 74 1.813 15.106 -11.731 1.00 0.00 O ATOM 1219 CB ARG A 74 3.585 16.284 -9.026 1.00 0.00 C ATOM 1220 CG ARG A 74 4.919 16.009 -8.329 1.00 0.00 C ATOM 1221 CD ARG A 74 5.419 17.291 -7.659 1.00 0.00 C ATOM 1222 NE ARG A 74 6.592 16.977 -6.794 1.00 0.00 N ATOM 1223 CZ ARG A 74 7.769 16.808 -7.330 1.00 0.00 C ATOM 1224 NH1 ARG A 74 7.918 16.910 -8.623 1.00 0.00 N ATOM 1225 NH2 ARG A 74 8.798 16.536 -6.574 1.00 0.00 N ATOM 0 H ARG A 74 4.666 15.159 -11.129 1.00 0.00 H new ATOM 0 HA ARG A 74 2.832 14.263 -8.944 1.00 0.00 H new ATOM 0 HB2 ARG A 74 3.706 17.075 -9.766 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.850 16.636 -8.302 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.797 15.221 -7.586 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.653 15.654 -9.052 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.698 18.024 -8.416 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.623 17.736 -7.062 1.00 0.00 H new ATOM 0 HE ARG A 74 6.474 16.894 -5.784 1.00 0.00 H new ATOM 0 HH11 ARG A 74 7.114 17.122 -9.214 1.00 0.00 H new ATOM 0 HH12 ARG A 74 8.838 16.778 -9.042 1.00 0.00 H new ATOM 0 HH21 ARG A 74 8.682 16.456 -5.564 1.00 0.00 H new ATOM 0 HH22 ARG A 74 9.718 16.404 -6.993 1.00 0.00 H new ATOM 1239 N LYS A 75 0.825 15.860 -9.919 1.00 0.00 N ATOM 1240 CA LYS A 75 -0.413 16.209 -10.673 1.00 0.00 C ATOM 1241 C LYS A 75 -1.191 14.932 -11.015 1.00 0.00 C ATOM 1242 O LYS A 75 -0.965 14.311 -12.033 1.00 0.00 O ATOM 1243 CB LYS A 75 -0.033 16.950 -11.964 1.00 0.00 C ATOM 1244 CG LYS A 75 -1.114 17.978 -12.312 1.00 0.00 C ATOM 1245 CD LYS A 75 -0.978 18.385 -13.782 1.00 0.00 C ATOM 1246 CE LYS A 75 -1.868 19.598 -14.063 1.00 0.00 C ATOM 1247 NZ LYS A 75 -1.157 20.842 -13.653 1.00 0.00 N ATOM 0 H LYS A 75 0.796 16.068 -8.921 1.00 0.00 H new ATOM 0 HA LYS A 75 -1.042 16.853 -10.058 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.928 17.448 -11.838 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.081 16.239 -12.782 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.103 17.557 -12.130 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.018 18.854 -11.671 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.061 18.623 -14.009 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.263 17.554 -14.428 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.117 19.642 -15.123 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.808 19.507 -13.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.762 21.666 -13.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.941 20.799 -12.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.272 20.930 -14.192 1.00 0.00 H new ATOM 1261 N ARG A 76 -2.108 14.541 -10.170 1.00 0.00 N ATOM 1262 CA ARG A 76 -2.907 13.310 -10.442 1.00 0.00 C ATOM 1263 C ARG A 76 -1.984 12.173 -10.887 1.00 0.00 C ATOM 1264 O ARG A 76 -1.579 12.102 -12.030 1.00 0.00 O ATOM 1265 CB ARG A 76 -3.925 13.598 -11.549 1.00 0.00 C ATOM 1266 CG ARG A 76 -4.960 14.604 -11.043 1.00 0.00 C ATOM 1267 CD ARG A 76 -5.764 15.148 -12.226 1.00 0.00 C ATOM 1268 NE ARG A 76 -6.696 16.210 -11.750 1.00 0.00 N ATOM 1269 CZ ARG A 76 -6.230 17.371 -11.383 1.00 0.00 C ATOM 1270 NH1 ARG A 76 -4.947 17.604 -11.430 1.00 0.00 N ATOM 1271 NH2 ARG A 76 -7.047 18.302 -10.970 1.00 0.00 N ATOM 0 H ARG A 76 -2.339 15.022 -9.301 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.426 13.014 -9.530 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -3.418 13.993 -12.429 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.418 12.675 -11.853 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.627 14.126 -10.326 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.463 15.422 -10.521 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -5.090 15.553 -12.981 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -6.326 14.342 -12.699 1.00 0.00 H new ATOM 0 HE ARG A 76 -7.699 16.028 -11.711 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.308 16.878 -11.754 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.583 18.512 -11.143 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -8.050 18.121 -10.934 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.682 19.210 -10.683 1.00 0.00 H new ATOM 1285 N ILE A 77 -1.652 11.279 -9.997 1.00 0.00 N ATOM 1286 CA ILE A 77 -0.761 10.149 -10.384 1.00 0.00 C ATOM 1287 C ILE A 77 -1.575 9.100 -11.141 1.00 0.00 C ATOM 1288 O ILE A 77 -2.599 8.636 -10.674 1.00 0.00 O ATOM 1289 CB ILE A 77 -0.152 9.519 -9.133 1.00 0.00 C ATOM 1290 CG1 ILE A 77 0.595 10.592 -8.339 1.00 0.00 C ATOM 1291 CG2 ILE A 77 0.828 8.421 -9.546 1.00 0.00 C ATOM 1292 CD1 ILE A 77 0.933 10.053 -6.950 1.00 0.00 C ATOM 0 H ILE A 77 -1.957 11.281 -9.024 1.00 0.00 H new ATOM 0 HA ILE A 77 0.040 10.522 -11.023 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.942 9.091 -8.516 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.508 10.878 -8.862 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.018 11.489 -8.254 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.265 7.969 -8.655 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.300 7.658 -10.118 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.619 8.852 -10.159 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.465 10.817 -6.383 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.013 9.789 -6.428 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.562 9.168 -7.046 1.00 0.00 H new ATOM 1304 N THR A 78 -1.130 8.726 -12.311 1.00 0.00 N ATOM 1305 CA THR A 78 -1.878 7.712 -13.106 1.00 0.00 C ATOM 1306 C THR A 78 -1.290 6.325 -12.859 1.00 0.00 C ATOM 1307 O THR A 78 -0.102 6.109 -12.999 1.00 0.00 O ATOM 1308 CB THR A 78 -1.774 8.052 -14.595 1.00 0.00 C ATOM 1309 OG1 THR A 78 -1.876 9.460 -14.766 1.00 0.00 O ATOM 1310 CG2 THR A 78 -2.904 7.360 -15.361 1.00 0.00 C ATOM 0 H THR A 78 -0.280 9.080 -12.750 1.00 0.00 H new ATOM 0 HA THR A 78 -2.925 7.718 -12.802 1.00 0.00 H new ATOM 0 HB THR A 78 -0.814 7.707 -14.980 1.00 0.00 H new ATOM 0 HG1 THR A 78 -1.808 9.680 -15.719 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.828 7.604 -16.421 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.825 6.281 -15.230 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.866 7.702 -14.978 1.00 0.00 H new ATOM 1318 N VAL A 79 -2.116 5.381 -12.500 1.00 0.00 N ATOM 1319 CA VAL A 79 -1.609 3.999 -12.252 1.00 0.00 C ATOM 1320 C VAL A 79 -1.845 3.146 -13.500 1.00 0.00 C ATOM 1321 O VAL A 79 -2.630 3.494 -14.359 1.00 0.00 O ATOM 1322 CB VAL A 79 -2.353 3.386 -11.064 1.00 0.00 C ATOM 1323 CG1 VAL A 79 -1.608 2.142 -10.579 1.00 0.00 C ATOM 1324 CG2 VAL A 79 -2.428 4.408 -9.927 1.00 0.00 C ATOM 0 H VAL A 79 -3.120 5.505 -12.367 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.543 4.034 -12.029 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.361 3.108 -11.373 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.139 1.707 -9.733 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.553 1.413 -11.387 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.600 2.419 -10.271 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.958 3.972 -9.080 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.420 4.685 -9.620 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.960 5.295 -10.270 1.00 0.00 H new ATOM 1334 N THR A 80 -1.174 2.033 -13.607 1.00 0.00 N ATOM 1335 CA THR A 80 -1.363 1.163 -14.802 1.00 0.00 C ATOM 1336 C THR A 80 -0.747 -0.211 -14.531 1.00 0.00 C ATOM 1337 O THR A 80 0.194 -0.340 -13.776 1.00 0.00 O ATOM 1338 CB THR A 80 -0.681 1.805 -16.016 1.00 0.00 C ATOM 1339 OG1 THR A 80 -0.834 3.217 -15.949 1.00 0.00 O ATOM 1340 CG2 THR A 80 -1.319 1.284 -17.306 1.00 0.00 C ATOM 0 H THR A 80 -0.504 1.688 -12.920 1.00 0.00 H new ATOM 0 HA THR A 80 -2.428 1.049 -15.007 1.00 0.00 H new ATOM 0 HB THR A 80 0.379 1.549 -16.012 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.779 3.437 -15.811 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.830 1.744 -18.165 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.202 0.202 -17.358 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.380 1.535 -17.315 1.00 0.00 H new ATOM 1348 N GLU A 81 -1.276 -1.239 -15.140 1.00 0.00 N ATOM 1349 CA GLU A 81 -0.730 -2.610 -14.919 1.00 0.00 C ATOM 1350 C GLU A 81 0.801 -2.578 -14.940 1.00 0.00 C ATOM 1351 O GLU A 81 1.453 -3.213 -14.136 1.00 0.00 O ATOM 1352 CB GLU A 81 -1.239 -3.542 -16.022 1.00 0.00 C ATOM 1353 CG GLU A 81 -0.787 -3.019 -17.393 1.00 0.00 C ATOM 1354 CD GLU A 81 -1.836 -3.371 -18.453 1.00 0.00 C ATOM 1355 OE1 GLU A 81 -2.431 -4.429 -18.340 1.00 0.00 O ATOM 1356 OE2 GLU A 81 -2.025 -2.575 -19.358 1.00 0.00 O ATOM 0 H GLU A 81 -2.066 -1.188 -15.783 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.062 -2.975 -13.947 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.858 -4.551 -15.863 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -2.327 -3.603 -15.986 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.646 -1.939 -17.352 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.175 -3.456 -17.660 1.00 0.00 H new ATOM 1363 N LYS A 82 1.381 -1.848 -15.854 1.00 0.00 N ATOM 1364 CA LYS A 82 2.870 -1.787 -15.919 1.00 0.00 C ATOM 1365 C LYS A 82 3.391 -0.830 -14.845 1.00 0.00 C ATOM 1366 O LYS A 82 4.496 -0.968 -14.360 1.00 0.00 O ATOM 1367 CB LYS A 82 3.303 -1.289 -17.300 1.00 0.00 C ATOM 1368 CG LYS A 82 4.813 -1.495 -17.469 1.00 0.00 C ATOM 1369 CD LYS A 82 5.332 -0.635 -18.630 1.00 0.00 C ATOM 1370 CE LYS A 82 5.709 0.758 -18.117 1.00 0.00 C ATOM 1371 NZ LYS A 82 7.012 0.686 -17.397 1.00 0.00 N ATOM 0 H LYS A 82 0.891 -1.293 -16.556 1.00 0.00 H new ATOM 0 HA LYS A 82 3.280 -2.782 -15.748 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.763 -1.828 -18.078 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.055 -0.234 -17.412 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.330 -1.228 -16.548 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.026 -2.547 -17.661 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.199 -1.111 -19.087 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.568 -0.553 -19.403 1.00 0.00 H new ATOM 0 HE2 LYS A 82 5.780 1.457 -18.950 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.933 1.134 -17.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.417 1.640 -17.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.862 0.292 -16.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.667 0.075 -17.925 1.00 0.00 H new ATOM 1385 N ASN A 83 2.604 0.139 -14.470 1.00 0.00 N ATOM 1386 CA ASN A 83 3.052 1.104 -13.428 1.00 0.00 C ATOM 1387 C ASN A 83 3.219 0.375 -12.092 1.00 0.00 C ATOM 1388 O ASN A 83 4.131 0.647 -11.334 1.00 0.00 O ATOM 1389 CB ASN A 83 2.011 2.217 -13.282 1.00 0.00 C ATOM 1390 CG ASN A 83 2.663 3.448 -12.648 1.00 0.00 C ATOM 1391 OD1 ASN A 83 2.263 4.564 -12.910 1.00 0.00 O ATOM 1392 ND2 ASN A 83 3.659 3.288 -11.819 1.00 0.00 N ATOM 0 H ASN A 83 1.668 0.305 -14.841 1.00 0.00 H new ATOM 0 HA ASN A 83 4.007 1.539 -13.722 1.00 0.00 H new ATOM 0 HB2 ASN A 83 1.598 2.473 -14.258 1.00 0.00 H new ATOM 0 HB3 ASN A 83 1.181 1.874 -12.665 1.00 0.00 H new ATOM 0 HD21 ASN A 83 4.102 4.101 -11.391 1.00 0.00 H new ATOM 0 HD22 ASN A 83 3.994 2.350 -11.600 1.00 0.00 H new ATOM 1399 N LEU A 84 2.340 -0.545 -11.792 1.00 0.00 N ATOM 1400 CA LEU A 84 2.446 -1.285 -10.500 1.00 0.00 C ATOM 1401 C LEU A 84 3.901 -1.694 -10.263 1.00 0.00 C ATOM 1402 O LEU A 84 4.434 -1.535 -9.185 1.00 0.00 O ATOM 1403 CB LEU A 84 1.565 -2.538 -10.547 1.00 0.00 C ATOM 1404 CG LEU A 84 0.226 -2.207 -11.211 1.00 0.00 C ATOM 1405 CD1 LEU A 84 -0.748 -3.368 -11.008 1.00 0.00 C ATOM 1406 CD2 LEU A 84 -0.362 -0.938 -10.586 1.00 0.00 C ATOM 0 H LEU A 84 1.555 -0.815 -12.384 1.00 0.00 H new ATOM 0 HA LEU A 84 2.112 -0.639 -9.688 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.071 -3.328 -11.102 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.398 -2.914 -9.538 1.00 0.00 H new ATOM 0 HG LEU A 84 0.386 -2.046 -12.277 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.701 -3.131 -11.481 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.335 -4.272 -11.456 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.903 -3.530 -9.941 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.315 -0.706 -11.062 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.518 -1.097 -9.519 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.328 -0.107 -10.732 1.00 0.00 H new ATOM 1418 N GLN A 85 4.549 -2.215 -11.268 1.00 0.00 N ATOM 1419 CA GLN A 85 5.971 -2.629 -11.104 1.00 0.00 C ATOM 1420 C GLN A 85 6.793 -1.435 -10.610 1.00 0.00 C ATOM 1421 O GLN A 85 7.671 -1.570 -9.782 1.00 0.00 O ATOM 1422 CB GLN A 85 6.518 -3.104 -12.452 1.00 0.00 C ATOM 1423 CG GLN A 85 7.923 -3.678 -12.263 1.00 0.00 C ATOM 1424 CD GLN A 85 8.465 -4.151 -13.614 1.00 0.00 C ATOM 1425 OE1 GLN A 85 8.413 -3.428 -14.588 1.00 0.00 O ATOM 1426 NE2 GLN A 85 8.986 -5.343 -13.713 1.00 0.00 N ATOM 0 H GLN A 85 4.155 -2.372 -12.196 1.00 0.00 H new ATOM 0 HA GLN A 85 6.036 -3.440 -10.379 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.859 -3.861 -12.877 1.00 0.00 H new ATOM 0 HB3 GLN A 85 6.545 -2.274 -13.158 1.00 0.00 H new ATOM 0 HG2 GLN A 85 8.583 -2.921 -11.839 1.00 0.00 H new ATOM 0 HG3 GLN A 85 7.896 -4.509 -11.558 1.00 0.00 H new ATOM 0 HE21 GLN A 85 9.030 -5.950 -12.895 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.350 -5.668 -14.609 1.00 0.00 H new ATOM 1435 N ASP A 86 6.518 -0.267 -11.120 1.00 0.00 N ATOM 1436 CA ASP A 86 7.282 0.937 -10.691 1.00 0.00 C ATOM 1437 C ASP A 86 6.982 1.259 -9.224 1.00 0.00 C ATOM 1438 O ASP A 86 7.855 1.653 -8.478 1.00 0.00 O ATOM 1439 CB ASP A 86 6.887 2.130 -11.564 1.00 0.00 C ATOM 1440 CG ASP A 86 7.318 1.870 -13.008 1.00 0.00 C ATOM 1441 OD1 ASP A 86 7.247 0.728 -13.430 1.00 0.00 O ATOM 1442 OD2 ASP A 86 7.712 2.818 -13.668 1.00 0.00 O ATOM 0 H ASP A 86 5.794 -0.094 -11.818 1.00 0.00 H new ATOM 0 HA ASP A 86 8.348 0.737 -10.800 1.00 0.00 H new ATOM 0 HB2 ASP A 86 5.809 2.287 -11.518 1.00 0.00 H new ATOM 0 HB3 ASP A 86 7.358 3.039 -11.191 1.00 0.00 H new ATOM 1447 N PHE A 87 5.754 1.105 -8.801 1.00 0.00 N ATOM 1448 CA PHE A 87 5.419 1.417 -7.382 1.00 0.00 C ATOM 1449 C PHE A 87 5.912 0.288 -6.479 1.00 0.00 C ATOM 1450 O PHE A 87 6.746 0.486 -5.618 1.00 0.00 O ATOM 1451 CB PHE A 87 3.901 1.559 -7.227 1.00 0.00 C ATOM 1452 CG PHE A 87 3.419 2.797 -7.952 1.00 0.00 C ATOM 1453 CD1 PHE A 87 3.896 4.061 -7.580 1.00 0.00 C ATOM 1454 CD2 PHE A 87 2.488 2.682 -8.993 1.00 0.00 C ATOM 1455 CE1 PHE A 87 3.444 5.204 -8.248 1.00 0.00 C ATOM 1456 CE2 PHE A 87 2.037 3.826 -9.660 1.00 0.00 C ATOM 1457 CZ PHE A 87 2.515 5.087 -9.289 1.00 0.00 C ATOM 0 H PHE A 87 4.975 0.779 -9.373 1.00 0.00 H new ATOM 0 HA PHE A 87 5.903 2.352 -7.099 1.00 0.00 H new ATOM 0 HB2 PHE A 87 3.402 0.676 -7.627 1.00 0.00 H new ATOM 0 HB3 PHE A 87 3.639 1.621 -6.171 1.00 0.00 H new ATOM 0 HD1 PHE A 87 4.613 4.153 -6.777 1.00 0.00 H new ATOM 0 HD2 PHE A 87 2.118 1.709 -9.281 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.812 6.178 -7.960 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.319 3.735 -10.462 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.168 5.970 -9.805 1.00 0.00 H new ATOM 1467 N ILE A 88 5.396 -0.895 -6.663 1.00 0.00 N ATOM 1468 CA ILE A 88 5.823 -2.038 -5.812 1.00 0.00 C ATOM 1469 C ILE A 88 7.165 -2.586 -6.318 1.00 0.00 C ATOM 1470 O ILE A 88 8.104 -2.740 -5.562 1.00 0.00 O ATOM 1471 CB ILE A 88 4.733 -3.121 -5.859 1.00 0.00 C ATOM 1472 CG1 ILE A 88 3.919 -3.086 -4.562 1.00 0.00 C ATOM 1473 CG2 ILE A 88 5.352 -4.511 -6.030 1.00 0.00 C ATOM 1474 CD1 ILE A 88 2.609 -3.854 -4.753 1.00 0.00 C ATOM 0 H ILE A 88 4.695 -1.119 -7.369 1.00 0.00 H new ATOM 0 HA ILE A 88 5.958 -1.714 -4.780 1.00 0.00 H new ATOM 0 HB ILE A 88 4.085 -2.920 -6.712 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.495 -3.527 -3.748 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.709 -2.054 -4.281 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.561 -5.260 -6.060 1.00 0.00 H new ATOM 0 HG22 ILE A 88 5.920 -4.545 -6.960 1.00 0.00 H new ATOM 0 HG23 ILE A 88 6.017 -4.719 -5.191 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.033 -3.827 -3.828 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.031 -3.394 -5.554 1.00 0.00 H new ATOM 0 HD13 ILE A 88 2.829 -4.889 -5.013 1.00 0.00 H new ATOM 1486 N GLY A 89 7.263 -2.888 -7.584 1.00 0.00 N ATOM 1487 CA GLY A 89 8.544 -3.433 -8.121 1.00 0.00 C ATOM 1488 C GLY A 89 8.911 -4.712 -7.366 1.00 0.00 C ATOM 1489 O GLY A 89 10.023 -4.874 -6.903 1.00 0.00 O ATOM 0 H GLY A 89 6.514 -2.782 -8.269 1.00 0.00 H new ATOM 0 HA2 GLY A 89 8.444 -3.643 -9.186 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.339 -2.695 -8.015 1.00 0.00 H new ATOM 1493 N LYS A 90 7.985 -5.623 -7.244 1.00 0.00 N ATOM 1494 CA LYS A 90 8.271 -6.897 -6.524 1.00 0.00 C ATOM 1495 C LYS A 90 7.077 -7.839 -6.681 1.00 0.00 C ATOM 1496 O LYS A 90 6.019 -7.611 -6.128 1.00 0.00 O ATOM 1497 CB LYS A 90 8.498 -6.604 -5.036 1.00 0.00 C ATOM 1498 CG LYS A 90 9.106 -7.838 -4.352 1.00 0.00 C ATOM 1499 CD LYS A 90 10.634 -7.817 -4.495 1.00 0.00 C ATOM 1500 CE LYS A 90 11.250 -7.004 -3.352 1.00 0.00 C ATOM 1501 NZ LYS A 90 11.221 -7.808 -2.099 1.00 0.00 N ATOM 0 H LYS A 90 7.038 -5.540 -7.614 1.00 0.00 H new ATOM 0 HA LYS A 90 9.164 -7.362 -6.941 1.00 0.00 H new ATOM 0 HB2 LYS A 90 9.163 -5.748 -4.921 1.00 0.00 H new ATOM 0 HB3 LYS A 90 7.554 -6.340 -4.559 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.831 -7.852 -3.297 1.00 0.00 H new ATOM 0 HG3 LYS A 90 8.703 -8.747 -4.798 1.00 0.00 H new ATOM 0 HD2 LYS A 90 11.024 -8.835 -4.481 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.913 -7.382 -5.455 1.00 0.00 H new ATOM 0 HE2 LYS A 90 12.276 -6.731 -3.598 1.00 0.00 H new ATOM 0 HE3 LYS A 90 10.697 -6.075 -3.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 11.916 -7.426 -1.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 10.271 -7.762 -1.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 11.457 -8.797 -2.316 1.00 0.00 H new ATOM 1515 N ARG A 91 7.235 -8.893 -7.439 1.00 0.00 N ATOM 1516 CA ARG A 91 6.106 -9.850 -7.645 1.00 0.00 C ATOM 1517 C ARG A 91 6.408 -11.171 -6.934 1.00 0.00 C ATOM 1518 O ARG A 91 7.540 -11.472 -6.615 1.00 0.00 O ATOM 1519 CB ARG A 91 5.938 -10.113 -9.143 1.00 0.00 C ATOM 1520 CG ARG A 91 7.297 -10.469 -9.751 1.00 0.00 C ATOM 1521 CD ARG A 91 7.110 -10.908 -11.204 1.00 0.00 C ATOM 1522 NE ARG A 91 8.432 -11.278 -11.783 1.00 0.00 N ATOM 1523 CZ ARG A 91 8.491 -12.035 -12.845 1.00 0.00 C ATOM 1524 NH1 ARG A 91 7.392 -12.466 -13.400 1.00 0.00 N ATOM 1525 NH2 ARG A 91 9.650 -12.359 -13.351 1.00 0.00 N ATOM 0 H ARG A 91 8.099 -9.133 -7.925 1.00 0.00 H new ATOM 0 HA ARG A 91 5.191 -9.422 -7.236 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.231 -10.927 -9.304 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.527 -9.231 -9.635 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.965 -9.609 -9.704 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.766 -11.268 -9.177 1.00 0.00 H new ATOM 0 HD2 ARG A 91 6.428 -11.757 -11.254 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.659 -10.103 -11.784 1.00 0.00 H new ATOM 0 HE ARG A 91 9.291 -10.940 -11.350 1.00 0.00 H new ATOM 0 HH11 ARG A 91 6.487 -12.212 -13.004 1.00 0.00 H new ATOM 0 HH12 ARG A 91 7.438 -13.057 -14.230 1.00 0.00 H new ATOM 0 HH21 ARG A 91 10.509 -12.021 -12.917 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.697 -12.950 -14.181 1.00 0.00 H new ATOM 1539 N ILE A 92 5.395 -11.963 -6.691 1.00 0.00 N ATOM 1540 CA ILE A 92 5.605 -13.275 -6.009 1.00 0.00 C ATOM 1541 C ILE A 92 5.051 -14.392 -6.894 1.00 0.00 C ATOM 1542 O ILE A 92 5.743 -15.330 -7.236 1.00 0.00 O ATOM 1543 CB ILE A 92 4.868 -13.282 -4.668 1.00 0.00 C ATOM 1544 CG1 ILE A 92 5.326 -12.084 -3.831 1.00 0.00 C ATOM 1545 CG2 ILE A 92 5.185 -14.578 -3.919 1.00 0.00 C ATOM 1546 CD1 ILE A 92 4.540 -12.050 -2.521 1.00 0.00 C ATOM 0 H ILE A 92 4.427 -11.756 -6.937 1.00 0.00 H new ATOM 0 HA ILE A 92 6.670 -13.430 -5.837 1.00 0.00 H new ATOM 0 HB ILE A 92 3.794 -13.217 -4.842 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.394 -12.157 -3.625 1.00 0.00 H new ATOM 0 HG13 ILE A 92 5.171 -11.158 -4.385 1.00 0.00 H new ATOM 0 HG21 ILE A 92 4.660 -14.584 -2.964 1.00 0.00 H new ATOM 0 HG22 ILE A 92 4.862 -15.431 -4.515 1.00 0.00 H new ATOM 0 HG23 ILE A 92 6.259 -14.644 -3.744 1.00 0.00 H new ATOM 0 HD11 ILE A 92 4.865 -11.198 -1.924 1.00 0.00 H new ATOM 0 HD12 ILE A 92 3.476 -11.957 -2.738 1.00 0.00 H new ATOM 0 HD13 ILE A 92 4.718 -12.971 -1.966 1.00 0.00 H new ATOM 1558 N PHE A 93 3.805 -14.294 -7.274 1.00 0.00 N ATOM 1559 CA PHE A 93 3.205 -15.345 -8.142 1.00 0.00 C ATOM 1560 C PHE A 93 3.821 -15.254 -9.540 1.00 0.00 C ATOM 1561 O PHE A 93 3.421 -14.445 -10.352 1.00 0.00 O ATOM 1562 CB PHE A 93 1.692 -15.127 -8.238 1.00 0.00 C ATOM 1563 CG PHE A 93 1.053 -15.394 -6.895 1.00 0.00 C ATOM 1564 CD1 PHE A 93 1.204 -14.472 -5.851 1.00 0.00 C ATOM 1565 CD2 PHE A 93 0.303 -16.559 -6.695 1.00 0.00 C ATOM 1566 CE1 PHE A 93 0.608 -14.718 -4.609 1.00 0.00 C ATOM 1567 CE2 PHE A 93 -0.293 -16.805 -5.453 1.00 0.00 C ATOM 1568 CZ PHE A 93 -0.141 -15.884 -4.410 1.00 0.00 C ATOM 0 H PHE A 93 3.178 -13.531 -7.020 1.00 0.00 H new ATOM 0 HA PHE A 93 3.403 -16.329 -7.716 1.00 0.00 H new ATOM 0 HB2 PHE A 93 1.481 -14.106 -8.555 1.00 0.00 H new ATOM 0 HB3 PHE A 93 1.267 -15.789 -8.992 1.00 0.00 H new ATOM 0 HD1 PHE A 93 1.780 -13.572 -6.005 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.184 -17.269 -7.500 1.00 0.00 H new ATOM 0 HE1 PHE A 93 0.726 -14.008 -3.804 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -0.870 -17.705 -5.299 1.00 0.00 H new ATOM 0 HZ PHE A 93 -0.602 -16.073 -3.452 1.00 0.00 H new ATOM 1578 N ARG A 94 4.793 -16.078 -9.825 1.00 0.00 N ATOM 1579 CA ARG A 94 5.436 -16.035 -11.172 1.00 0.00 C ATOM 1580 C ARG A 94 4.685 -16.968 -12.127 1.00 0.00 C ATOM 1581 O ARG A 94 5.194 -17.988 -12.545 1.00 0.00 O ATOM 1582 CB ARG A 94 6.908 -16.470 -11.061 1.00 0.00 C ATOM 1583 CG ARG A 94 7.099 -17.405 -9.861 1.00 0.00 C ATOM 1584 CD ARG A 94 6.251 -18.667 -10.044 1.00 0.00 C ATOM 1585 NE ARG A 94 6.535 -19.619 -8.933 1.00 0.00 N ATOM 1586 CZ ARG A 94 5.667 -20.546 -8.631 1.00 0.00 C ATOM 1587 NH1 ARG A 94 4.552 -20.638 -9.302 1.00 0.00 N ATOM 1588 NH2 ARG A 94 5.915 -21.381 -7.659 1.00 0.00 N ATOM 0 H ARG A 94 5.170 -16.778 -9.186 1.00 0.00 H new ATOM 0 HA ARG A 94 5.397 -15.017 -11.560 1.00 0.00 H new ATOM 0 HB2 ARG A 94 7.215 -16.976 -11.977 1.00 0.00 H new ATOM 0 HB3 ARG A 94 7.546 -15.593 -10.952 1.00 0.00 H new ATOM 0 HG2 ARG A 94 8.151 -17.674 -9.762 1.00 0.00 H new ATOM 0 HG3 ARG A 94 6.813 -16.894 -8.942 1.00 0.00 H new ATOM 0 HD2 ARG A 94 5.192 -18.409 -10.055 1.00 0.00 H new ATOM 0 HD3 ARG A 94 6.475 -19.133 -11.003 1.00 0.00 H new ATOM 0 HE ARG A 94 7.407 -19.546 -8.409 1.00 0.00 H new ATOM 0 HH11 ARG A 94 4.359 -19.986 -10.062 1.00 0.00 H new ATOM 0 HH12 ARG A 94 3.873 -21.362 -9.067 1.00 0.00 H new ATOM 0 HH21 ARG A 94 6.787 -21.309 -7.135 1.00 0.00 H new ATOM 0 HH22 ARG A 94 5.237 -22.105 -7.423 1.00 0.00 H new ATOM 1602 N TYR A 95 3.477 -16.621 -12.480 1.00 0.00 N ATOM 1603 CA TYR A 95 2.695 -17.483 -13.410 1.00 0.00 C ATOM 1604 C TYR A 95 2.574 -18.892 -12.822 1.00 0.00 C ATOM 1605 O TYR A 95 3.527 -19.646 -12.790 1.00 0.00 O ATOM 1606 CB TYR A 95 3.412 -17.542 -14.768 1.00 0.00 C ATOM 1607 CG TYR A 95 2.421 -17.305 -15.886 1.00 0.00 C ATOM 1608 CD1 TYR A 95 1.550 -18.328 -16.279 1.00 0.00 C ATOM 1609 CD2 TYR A 95 2.375 -16.060 -16.526 1.00 0.00 C ATOM 1610 CE1 TYR A 95 0.633 -18.106 -17.314 1.00 0.00 C ATOM 1611 CE2 TYR A 95 1.458 -15.840 -17.561 1.00 0.00 C ATOM 1612 CZ TYR A 95 0.588 -16.863 -17.955 1.00 0.00 C ATOM 1613 OH TYR A 95 -0.316 -16.644 -18.975 1.00 0.00 O ATOM 0 H TYR A 95 2.998 -15.778 -12.164 1.00 0.00 H new ATOM 0 HA TYR A 95 1.697 -17.067 -13.546 1.00 0.00 H new ATOM 0 HB2 TYR A 95 4.201 -16.791 -14.805 1.00 0.00 H new ATOM 0 HB3 TYR A 95 3.890 -18.513 -14.894 1.00 0.00 H new ATOM 0 HD1 TYR A 95 1.585 -19.288 -15.785 1.00 0.00 H new ATOM 0 HD2 TYR A 95 3.046 -15.271 -16.221 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -0.040 -18.895 -17.618 1.00 0.00 H new ATOM 0 HE2 TYR A 95 1.422 -14.881 -18.055 1.00 0.00 H new ATOM 0 HH TYR A 95 -0.216 -15.729 -19.310 1.00 0.00 H new TER 1623 TYR A 95