USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 460 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 SER OG : rot 116:sc= 0.129 USER MOD Set 1.2: A 43 GLN : amide:sc= 0.126 X(o=0.25,f=0) USER MOD Single : A 1 GLN : amide:sc= -0.163 K(o=-0.16,f=-4.2!) USER MOD Single : A 1 GLN N :NH3+ 136:sc= 0.864 (180deg=-0.891) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 17:sc= -0.143 USER MOD Single : A 30 ASN : amide:sc= 0.725 K(o=0.73,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 24.851 -31.352 10.158 1.00 0.00 N ATOM 2 CA GLN A 1 23.675 -30.625 10.735 1.00 0.00 C ATOM 3 C GLN A 1 22.976 -29.788 9.659 1.00 0.00 C ATOM 4 O GLN A 1 23.486 -29.604 8.568 1.00 0.00 O ATOM 5 CB GLN A 1 24.240 -29.714 11.837 1.00 0.00 C ATOM 6 CG GLN A 1 25.324 -28.788 11.263 1.00 0.00 C ATOM 7 CD GLN A 1 26.707 -29.250 11.737 1.00 0.00 C ATOM 8 OE1 GLN A 1 26.994 -30.431 11.754 1.00 0.00 O ATOM 9 NE2 GLN A 1 27.584 -28.362 12.121 1.00 0.00 N ATOM 0 H1 GLN A 1 25.660 -31.274 10.807 1.00 0.00 H new ATOM 0 H2 GLN A 1 24.609 -32.355 10.026 1.00 0.00 H new ATOM 0 H3 GLN A 1 25.102 -30.933 9.240 1.00 0.00 H new ATOM 0 HA GLN A 1 22.934 -31.321 11.129 1.00 0.00 H new ATOM 0 HB2 GLN A 1 23.437 -29.119 12.273 1.00 0.00 H new ATOM 0 HB3 GLN A 1 24.659 -30.321 12.640 1.00 0.00 H new ATOM 0 HG2 GLN A 1 25.282 -28.795 10.174 1.00 0.00 H new ATOM 0 HG3 GLN A 1 25.144 -27.761 11.582 1.00 0.00 H new ATOM 0 HE21 GLN A 1 27.345 -27.370 12.108 1.00 0.00 H new ATOM 0 HE22 GLN A 1 28.508 -28.660 12.434 1.00 0.00 H new ATOM 20 N VAL A 2 21.814 -29.276 9.968 1.00 0.00 N ATOM 21 CA VAL A 2 21.065 -28.442 8.980 1.00 0.00 C ATOM 22 C VAL A 2 20.986 -26.992 9.476 1.00 0.00 C ATOM 23 O VAL A 2 20.790 -26.745 10.653 1.00 0.00 O ATOM 24 CB VAL A 2 19.666 -29.067 8.900 1.00 0.00 C ATOM 25 CG1 VAL A 2 18.803 -28.276 7.912 1.00 0.00 C ATOM 26 CG2 VAL A 2 19.777 -30.518 8.420 1.00 0.00 C ATOM 0 H VAL A 2 21.348 -29.400 10.867 1.00 0.00 H new ATOM 0 HA VAL A 2 21.549 -28.420 8.004 1.00 0.00 H new ATOM 0 HB VAL A 2 19.207 -29.042 9.888 1.00 0.00 H new ATOM 0 HG11 VAL A 2 17.810 -28.723 7.858 1.00 0.00 H new ATOM 0 HG12 VAL A 2 18.718 -27.243 8.249 1.00 0.00 H new ATOM 0 HG13 VAL A 2 19.266 -28.299 6.925 1.00 0.00 H new ATOM 0 HG21 VAL A 2 18.782 -30.960 8.364 1.00 0.00 H new ATOM 0 HG22 VAL A 2 20.240 -30.540 7.434 1.00 0.00 H new ATOM 0 HG23 VAL A 2 20.388 -31.087 9.121 1.00 0.00 H new ATOM 36 N TYR A 3 21.138 -26.039 8.582 1.00 0.00 N ATOM 37 CA TYR A 3 21.078 -24.589 8.970 1.00 0.00 C ATOM 38 C TYR A 3 22.255 -24.214 9.884 1.00 0.00 C ATOM 39 O TYR A 3 22.954 -25.067 10.401 1.00 0.00 O ATOM 40 CB TYR A 3 19.741 -24.407 9.701 1.00 0.00 C ATOM 41 CG TYR A 3 19.052 -23.162 9.197 1.00 0.00 C ATOM 42 CD1 TYR A 3 18.311 -23.203 8.010 1.00 0.00 C ATOM 43 CD2 TYR A 3 19.154 -21.965 9.917 1.00 0.00 C ATOM 44 CE1 TYR A 3 17.671 -22.049 7.543 1.00 0.00 C ATOM 45 CE2 TYR A 3 18.515 -20.811 9.450 1.00 0.00 C ATOM 46 CZ TYR A 3 17.774 -20.853 8.263 1.00 0.00 C ATOM 47 OH TYR A 3 17.144 -19.715 7.801 1.00 0.00 O ATOM 0 H TYR A 3 21.303 -26.206 7.589 1.00 0.00 H new ATOM 0 HA TYR A 3 21.148 -23.941 8.096 1.00 0.00 H new ATOM 0 HB2 TYR A 3 19.105 -25.277 9.539 1.00 0.00 H new ATOM 0 HB3 TYR A 3 19.910 -24.331 10.775 1.00 0.00 H new ATOM 0 HD1 TYR A 3 18.233 -24.126 7.454 1.00 0.00 H new ATOM 0 HD2 TYR A 3 19.726 -21.933 10.833 1.00 0.00 H new ATOM 0 HE1 TYR A 3 17.098 -22.081 6.628 1.00 0.00 H new ATOM 0 HE2 TYR A 3 18.593 -19.888 10.005 1.00 0.00 H new ATOM 0 HH TYR A 3 17.315 -18.973 8.418 1.00 0.00 H new ATOM 57 N LYS A 4 22.480 -22.937 10.077 1.00 0.00 N ATOM 58 CA LYS A 4 23.609 -22.489 10.949 1.00 0.00 C ATOM 59 C LYS A 4 23.145 -21.366 11.887 1.00 0.00 C ATOM 60 O LYS A 4 22.270 -20.588 11.553 1.00 0.00 O ATOM 61 CB LYS A 4 24.675 -21.969 9.982 1.00 0.00 C ATOM 62 CG LYS A 4 25.484 -23.144 9.423 1.00 0.00 C ATOM 63 CD LYS A 4 25.231 -23.272 7.918 1.00 0.00 C ATOM 64 CE LYS A 4 25.699 -24.648 7.432 1.00 0.00 C ATOM 65 NZ LYS A 4 27.122 -24.459 7.025 1.00 0.00 N ATOM 0 H LYS A 4 21.928 -22.184 9.666 1.00 0.00 H new ATOM 0 HA LYS A 4 23.986 -23.295 11.579 1.00 0.00 H new ATOM 0 HB2 LYS A 4 24.203 -21.420 9.167 1.00 0.00 H new ATOM 0 HB3 LYS A 4 25.336 -21.272 10.496 1.00 0.00 H new ATOM 0 HG2 LYS A 4 26.546 -22.990 9.612 1.00 0.00 H new ATOM 0 HG3 LYS A 4 25.201 -24.067 9.929 1.00 0.00 H new ATOM 0 HD2 LYS A 4 24.170 -23.142 7.705 1.00 0.00 H new ATOM 0 HD3 LYS A 4 25.762 -22.486 7.382 1.00 0.00 H new ATOM 0 HE2 LYS A 4 25.612 -25.395 8.221 1.00 0.00 H new ATOM 0 HE3 LYS A 4 25.094 -24.996 6.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 27.508 -25.362 6.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 27.175 -23.749 6.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 27.677 -24.135 7.843 1.00 0.00 H new ATOM 79 N GLY A 5 23.731 -21.277 13.056 1.00 0.00 N ATOM 80 CA GLY A 5 23.335 -20.209 14.020 1.00 0.00 C ATOM 81 C GLY A 5 23.887 -18.860 13.549 1.00 0.00 C ATOM 82 O GLY A 5 23.218 -18.116 12.859 1.00 0.00 O ATOM 0 H GLY A 5 24.469 -21.901 13.383 1.00 0.00 H new ATOM 0 HA2 GLY A 5 22.249 -20.161 14.099 1.00 0.00 H new ATOM 0 HA3 GLY A 5 23.717 -20.442 15.014 1.00 0.00 H new ATOM 86 N GLY A 6 25.105 -18.541 13.918 1.00 0.00 N ATOM 87 CA GLY A 6 25.704 -17.244 13.493 1.00 0.00 C ATOM 88 C GLY A 6 25.236 -16.125 14.428 1.00 0.00 C ATOM 89 O GLY A 6 24.171 -16.197 15.015 1.00 0.00 O ATOM 0 H GLY A 6 25.708 -19.126 14.496 1.00 0.00 H new ATOM 0 HA2 GLY A 6 26.792 -17.313 13.509 1.00 0.00 H new ATOM 0 HA3 GLY A 6 25.414 -17.018 12.467 1.00 0.00 H new ATOM 93 N TYR A 7 26.026 -15.091 14.570 1.00 0.00 N ATOM 94 CA TYR A 7 25.637 -13.960 15.463 1.00 0.00 C ATOM 95 C TYR A 7 26.132 -12.629 14.880 1.00 0.00 C ATOM 96 O TYR A 7 27.141 -12.090 15.298 1.00 0.00 O ATOM 97 CB TYR A 7 26.315 -14.260 16.805 1.00 0.00 C ATOM 98 CG TYR A 7 25.622 -13.491 17.904 1.00 0.00 C ATOM 99 CD1 TYR A 7 24.366 -13.908 18.366 1.00 0.00 C ATOM 100 CD2 TYR A 7 26.232 -12.361 18.461 1.00 0.00 C ATOM 101 CE1 TYR A 7 23.724 -13.195 19.384 1.00 0.00 C ATOM 102 CE2 TYR A 7 25.589 -11.648 19.478 1.00 0.00 C ATOM 103 CZ TYR A 7 24.335 -12.064 19.940 1.00 0.00 C ATOM 104 OH TYR A 7 23.701 -11.361 20.943 1.00 0.00 O ATOM 0 H TYR A 7 26.927 -14.982 14.104 1.00 0.00 H new ATOM 0 HA TYR A 7 24.556 -13.869 15.571 1.00 0.00 H new ATOM 0 HB2 TYR A 7 26.274 -15.329 17.014 1.00 0.00 H new ATOM 0 HB3 TYR A 7 27.368 -13.983 16.762 1.00 0.00 H new ATOM 0 HD1 TYR A 7 23.894 -14.779 17.936 1.00 0.00 H new ATOM 0 HD2 TYR A 7 27.200 -12.040 18.105 1.00 0.00 H new ATOM 0 HE1 TYR A 7 22.757 -13.517 19.741 1.00 0.00 H new ATOM 0 HE2 TYR A 7 26.060 -10.776 19.907 1.00 0.00 H new ATOM 0 HH TYR A 7 24.261 -10.605 21.217 1.00 0.00 H new ATOM 114 N ALA A 8 25.424 -12.097 13.914 1.00 0.00 N ATOM 115 CA ALA A 8 25.836 -10.802 13.292 1.00 0.00 C ATOM 116 C ALA A 8 24.630 -10.126 12.629 1.00 0.00 C ATOM 117 O ALA A 8 23.956 -10.715 11.805 1.00 0.00 O ATOM 118 CB ALA A 8 26.886 -11.178 12.243 1.00 0.00 C ATOM 0 H ALA A 8 24.574 -12.507 13.528 1.00 0.00 H new ATOM 0 HA ALA A 8 26.230 -10.099 14.026 1.00 0.00 H new ATOM 0 HB1 ALA A 8 27.238 -10.277 11.741 1.00 0.00 H new ATOM 0 HB2 ALA A 8 27.726 -11.674 12.730 1.00 0.00 H new ATOM 0 HB3 ALA A 8 26.443 -11.852 11.510 1.00 0.00 H new ATOM 124 N ARG A 9 24.352 -8.896 12.987 1.00 0.00 N ATOM 125 CA ARG A 9 23.190 -8.181 12.382 1.00 0.00 C ATOM 126 C ARG A 9 23.558 -6.717 12.094 1.00 0.00 C ATOM 127 O ARG A 9 23.320 -5.847 12.912 1.00 0.00 O ATOM 128 CB ARG A 9 22.079 -8.269 13.435 1.00 0.00 C ATOM 129 CG ARG A 9 20.709 -8.206 12.749 1.00 0.00 C ATOM 130 CD ARG A 9 19.905 -7.026 13.307 1.00 0.00 C ATOM 131 NE ARG A 9 19.602 -7.393 14.722 1.00 0.00 N ATOM 132 CZ ARG A 9 18.392 -7.750 15.064 1.00 0.00 C ATOM 133 NH1 ARG A 9 17.999 -8.984 14.887 1.00 0.00 N ATOM 134 NH2 ARG A 9 17.576 -6.870 15.584 1.00 0.00 N ATOM 0 H ARG A 9 24.881 -8.358 13.673 1.00 0.00 H new ATOM 0 HA ARG A 9 22.882 -8.618 11.432 1.00 0.00 H new ATOM 0 HB2 ARG A 9 22.172 -9.197 13.998 1.00 0.00 H new ATOM 0 HB3 ARG A 9 22.176 -7.452 14.149 1.00 0.00 H new ATOM 0 HG2 ARG A 9 20.836 -8.095 11.672 1.00 0.00 H new ATOM 0 HG3 ARG A 9 20.167 -9.137 12.912 1.00 0.00 H new ATOM 0 HD2 ARG A 9 20.477 -6.100 13.254 1.00 0.00 H new ATOM 0 HD3 ARG A 9 18.990 -6.868 12.736 1.00 0.00 H new ATOM 0 HE ARG A 9 20.341 -7.365 15.424 1.00 0.00 H new ATOM 0 HH11 ARG A 9 18.637 -9.669 14.482 1.00 0.00 H new ATOM 0 HH12 ARG A 9 17.055 -9.262 15.154 1.00 0.00 H new ATOM 0 HH21 ARG A 9 17.884 -5.908 15.722 1.00 0.00 H new ATOM 0 HH22 ARG A 9 16.631 -7.146 15.852 1.00 0.00 H new ATOM 148 N PRO A 10 24.127 -6.495 10.932 1.00 0.00 N ATOM 149 CA PRO A 10 24.528 -5.121 10.530 1.00 0.00 C ATOM 150 C PRO A 10 23.290 -4.286 10.176 1.00 0.00 C ATOM 151 O PRO A 10 22.448 -4.715 9.411 1.00 0.00 O ATOM 152 CB PRO A 10 25.403 -5.349 9.298 1.00 0.00 C ATOM 153 CG PRO A 10 24.955 -6.663 8.741 1.00 0.00 C ATOM 154 CD PRO A 10 24.447 -7.487 9.895 1.00 0.00 C ATOM 0 HA PRO A 10 25.047 -4.576 11.319 1.00 0.00 H new ATOM 0 HB2 PRO A 10 25.275 -4.548 8.570 1.00 0.00 H new ATOM 0 HB3 PRO A 10 26.460 -5.373 9.564 1.00 0.00 H new ATOM 0 HG2 PRO A 10 24.171 -6.518 7.997 1.00 0.00 H new ATOM 0 HG3 PRO A 10 25.780 -7.170 8.240 1.00 0.00 H new ATOM 0 HD2 PRO A 10 23.568 -8.067 9.614 1.00 0.00 H new ATOM 0 HD3 PRO A 10 25.200 -8.196 10.240 1.00 0.00 H new ATOM 162 N ILE A 11 23.185 -3.098 10.738 1.00 0.00 N ATOM 163 CA ILE A 11 22.011 -2.196 10.466 1.00 0.00 C ATOM 164 C ILE A 11 20.709 -2.824 11.001 1.00 0.00 C ATOM 165 O ILE A 11 20.305 -3.886 10.565 1.00 0.00 O ATOM 166 CB ILE A 11 21.947 -2.019 8.939 1.00 0.00 C ATOM 167 CG1 ILE A 11 23.270 -1.432 8.429 1.00 0.00 C ATOM 168 CG2 ILE A 11 20.804 -1.064 8.581 1.00 0.00 C ATOM 169 CD1 ILE A 11 23.405 -1.705 6.929 1.00 0.00 C ATOM 0 H ILE A 11 23.874 -2.710 11.383 1.00 0.00 H new ATOM 0 HA ILE A 11 22.126 -1.235 10.967 1.00 0.00 H new ATOM 0 HB ILE A 11 21.775 -2.990 8.474 1.00 0.00 H new ATOM 0 HG12 ILE A 11 23.301 -0.359 8.618 1.00 0.00 H new ATOM 0 HG13 ILE A 11 24.108 -1.875 8.967 1.00 0.00 H new ATOM 0 HG21 ILE A 11 20.759 -0.939 7.499 1.00 0.00 H new ATOM 0 HG22 ILE A 11 19.860 -1.476 8.938 1.00 0.00 H new ATOM 0 HG23 ILE A 11 20.978 -0.096 9.051 1.00 0.00 H new ATOM 0 HD11 ILE A 11 24.345 -1.288 6.566 1.00 0.00 H new ATOM 0 HD12 ILE A 11 23.393 -2.781 6.752 1.00 0.00 H new ATOM 0 HD13 ILE A 11 22.574 -1.241 6.398 1.00 0.00 H new ATOM 181 N PRO A 12 20.089 -2.139 11.937 1.00 0.00 N ATOM 182 CA PRO A 12 18.824 -2.637 12.534 1.00 0.00 C ATOM 183 C PRO A 12 17.646 -2.404 11.571 1.00 0.00 C ATOM 184 O PRO A 12 16.746 -1.633 11.849 1.00 0.00 O ATOM 185 CB PRO A 12 18.674 -1.799 13.802 1.00 0.00 C ATOM 186 CG PRO A 12 19.437 -0.538 13.536 1.00 0.00 C ATOM 187 CD PRO A 12 20.507 -0.857 12.522 1.00 0.00 C ATOM 0 HA PRO A 12 18.836 -3.708 12.738 1.00 0.00 H new ATOM 0 HB2 PRO A 12 17.625 -1.587 14.012 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.073 -2.324 14.670 1.00 0.00 H new ATOM 0 HG2 PRO A 12 18.772 0.239 13.159 1.00 0.00 H new ATOM 0 HG3 PRO A 12 19.882 -0.159 14.456 1.00 0.00 H new ATOM 0 HD2 PRO A 12 20.579 -0.079 11.762 1.00 0.00 H new ATOM 0 HD3 PRO A 12 21.488 -0.936 12.991 1.00 0.00 H new ATOM 195 N ARG A 13 17.653 -3.066 10.440 1.00 0.00 N ATOM 196 CA ARG A 13 16.547 -2.894 9.452 1.00 0.00 C ATOM 197 C ARG A 13 16.575 -4.040 8.429 1.00 0.00 C ATOM 198 O ARG A 13 17.635 -4.453 7.996 1.00 0.00 O ATOM 199 CB ARG A 13 16.823 -1.551 8.766 1.00 0.00 C ATOM 200 CG ARG A 13 15.612 -0.628 8.941 1.00 0.00 C ATOM 201 CD ARG A 13 16.009 0.817 8.617 1.00 0.00 C ATOM 202 NE ARG A 13 16.714 1.316 9.835 1.00 0.00 N ATOM 203 CZ ARG A 13 16.028 1.758 10.856 1.00 0.00 C ATOM 204 NH1 ARG A 13 15.585 2.990 10.863 1.00 0.00 N ATOM 205 NH2 ARG A 13 15.786 0.967 11.870 1.00 0.00 N ATOM 0 H ARG A 13 18.382 -3.721 10.159 1.00 0.00 H new ATOM 0 HA ARG A 13 15.565 -2.910 9.924 1.00 0.00 H new ATOM 0 HB2 ARG A 13 17.712 -1.088 9.195 1.00 0.00 H new ATOM 0 HB3 ARG A 13 17.025 -1.707 7.706 1.00 0.00 H new ATOM 0 HG2 ARG A 13 14.802 -0.948 8.286 1.00 0.00 H new ATOM 0 HG3 ARG A 13 15.239 -0.692 9.963 1.00 0.00 H new ATOM 0 HD2 ARG A 13 16.658 0.860 7.742 1.00 0.00 H new ATOM 0 HD3 ARG A 13 15.132 1.425 8.394 1.00 0.00 H new ATOM 0 HE ARG A 13 17.733 1.312 9.870 1.00 0.00 H new ATOM 0 HH11 ARG A 13 15.775 3.605 10.072 1.00 0.00 H new ATOM 0 HH12 ARG A 13 15.050 3.335 11.660 1.00 0.00 H new ATOM 0 HH21 ARG A 13 16.133 0.008 11.863 1.00 0.00 H new ATOM 0 HH22 ARG A 13 15.251 1.310 12.668 1.00 0.00 H new ATOM 219 N PRO A 14 15.404 -4.517 8.075 1.00 0.00 N ATOM 220 CA PRO A 14 15.294 -5.627 7.092 1.00 0.00 C ATOM 221 C PRO A 14 15.605 -5.127 5.671 1.00 0.00 C ATOM 222 O PRO A 14 15.152 -4.067 5.278 1.00 0.00 O ATOM 223 CB PRO A 14 13.836 -6.066 7.208 1.00 0.00 C ATOM 224 CG PRO A 14 13.107 -4.865 7.723 1.00 0.00 C ATOM 225 CD PRO A 14 14.086 -4.073 8.552 1.00 0.00 C ATOM 0 HA PRO A 14 15.996 -6.438 7.285 1.00 0.00 H new ATOM 0 HB2 PRO A 14 13.442 -6.382 6.242 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.732 -6.912 7.888 1.00 0.00 H new ATOM 0 HG2 PRO A 14 12.726 -4.263 6.898 1.00 0.00 H new ATOM 0 HG3 PRO A 14 12.248 -5.164 8.323 1.00 0.00 H new ATOM 0 HD2 PRO A 14 13.952 -3.001 8.410 1.00 0.00 H new ATOM 0 HD3 PRO A 14 13.960 -4.272 9.616 1.00 0.00 H new ATOM 233 N PRO A 15 16.369 -5.913 4.945 1.00 0.00 N ATOM 234 CA PRO A 15 16.740 -5.543 3.553 1.00 0.00 C ATOM 235 C PRO A 15 15.550 -5.746 2.600 1.00 0.00 C ATOM 236 O PRO A 15 14.815 -6.709 2.726 1.00 0.00 O ATOM 237 CB PRO A 15 17.872 -6.511 3.216 1.00 0.00 C ATOM 238 CG PRO A 15 17.654 -7.694 4.107 1.00 0.00 C ATOM 239 CD PRO A 15 16.955 -7.199 5.347 1.00 0.00 C ATOM 0 HA PRO A 15 17.031 -4.497 3.454 1.00 0.00 H new ATOM 0 HB2 PRO A 15 17.844 -6.799 2.165 1.00 0.00 H new ATOM 0 HB3 PRO A 15 18.846 -6.056 3.396 1.00 0.00 H new ATOM 0 HG2 PRO A 15 17.052 -8.449 3.602 1.00 0.00 H new ATOM 0 HG3 PRO A 15 18.604 -8.163 4.363 1.00 0.00 H new ATOM 0 HD2 PRO A 15 16.188 -7.899 5.678 1.00 0.00 H new ATOM 0 HD3 PRO A 15 17.653 -7.076 6.175 1.00 0.00 H new ATOM 247 N PRO A 16 15.399 -4.826 1.673 1.00 0.00 N ATOM 248 CA PRO A 16 14.287 -4.908 0.689 1.00 0.00 C ATOM 249 C PRO A 16 14.580 -5.992 -0.362 1.00 0.00 C ATOM 250 O PRO A 16 15.030 -5.706 -1.457 1.00 0.00 O ATOM 251 CB PRO A 16 14.265 -3.517 0.057 1.00 0.00 C ATOM 252 CG PRO A 16 15.653 -2.985 0.230 1.00 0.00 C ATOM 253 CD PRO A 16 16.236 -3.636 1.459 1.00 0.00 C ATOM 0 HA PRO A 16 13.332 -5.178 1.139 1.00 0.00 H new ATOM 0 HB2 PRO A 16 13.991 -3.568 -0.997 1.00 0.00 H new ATOM 0 HB3 PRO A 16 13.533 -2.874 0.546 1.00 0.00 H new ATOM 0 HG2 PRO A 16 16.261 -3.207 -0.647 1.00 0.00 H new ATOM 0 HG3 PRO A 16 15.637 -1.901 0.341 1.00 0.00 H new ATOM 0 HD2 PRO A 16 17.281 -3.907 1.308 1.00 0.00 H new ATOM 0 HD3 PRO A 16 16.202 -2.966 2.318 1.00 0.00 H new ATOM 261 N PHE A 17 14.330 -7.235 -0.032 1.00 0.00 N ATOM 262 CA PHE A 17 14.593 -8.340 -1.003 1.00 0.00 C ATOM 263 C PHE A 17 13.448 -8.449 -2.014 1.00 0.00 C ATOM 264 O PHE A 17 12.320 -8.085 -1.737 1.00 0.00 O ATOM 265 CB PHE A 17 14.683 -9.611 -0.153 1.00 0.00 C ATOM 266 CG PHE A 17 15.483 -10.660 -0.890 1.00 0.00 C ATOM 267 CD1 PHE A 17 16.882 -10.648 -0.827 1.00 0.00 C ATOM 268 CD2 PHE A 17 14.826 -11.646 -1.636 1.00 0.00 C ATOM 269 CE1 PHE A 17 17.622 -11.621 -1.509 1.00 0.00 C ATOM 270 CE2 PHE A 17 15.566 -12.618 -2.318 1.00 0.00 C ATOM 271 CZ PHE A 17 16.964 -12.606 -2.255 1.00 0.00 C ATOM 0 H PHE A 17 13.955 -7.532 0.869 1.00 0.00 H new ATOM 0 HA PHE A 17 15.504 -8.170 -1.577 1.00 0.00 H new ATOM 0 HB2 PHE A 17 15.153 -9.387 0.805 1.00 0.00 H new ATOM 0 HB3 PHE A 17 13.683 -9.987 0.063 1.00 0.00 H new ATOM 0 HD1 PHE A 17 17.390 -9.888 -0.252 1.00 0.00 H new ATOM 0 HD2 PHE A 17 13.747 -11.656 -1.685 1.00 0.00 H new ATOM 0 HE1 PHE A 17 18.701 -11.612 -1.460 1.00 0.00 H new ATOM 0 HE2 PHE A 17 15.058 -13.378 -2.893 1.00 0.00 H new ATOM 0 HZ PHE A 17 17.535 -13.356 -2.782 1.00 0.00 H new ATOM 281 N VAL A 18 13.738 -8.953 -3.184 1.00 0.00 N ATOM 282 CA VAL A 18 12.678 -9.097 -4.228 1.00 0.00 C ATOM 283 C VAL A 18 11.929 -10.420 -4.037 1.00 0.00 C ATOM 284 O VAL A 18 12.514 -11.433 -3.700 1.00 0.00 O ATOM 285 CB VAL A 18 13.420 -9.086 -5.570 1.00 0.00 C ATOM 286 CG1 VAL A 18 12.416 -9.235 -6.717 1.00 0.00 C ATOM 287 CG2 VAL A 18 14.176 -7.762 -5.732 1.00 0.00 C ATOM 0 H VAL A 18 14.665 -9.272 -3.464 1.00 0.00 H new ATOM 0 HA VAL A 18 11.938 -8.298 -4.173 1.00 0.00 H new ATOM 0 HB VAL A 18 14.126 -9.916 -5.592 1.00 0.00 H new ATOM 0 HG11 VAL A 18 12.947 -9.227 -7.669 1.00 0.00 H new ATOM 0 HG12 VAL A 18 11.878 -10.177 -6.610 1.00 0.00 H new ATOM 0 HG13 VAL A 18 11.707 -8.407 -6.690 1.00 0.00 H new ATOM 0 HG21 VAL A 18 14.702 -7.758 -6.687 1.00 0.00 H new ATOM 0 HG22 VAL A 18 13.469 -6.933 -5.704 1.00 0.00 H new ATOM 0 HG23 VAL A 18 14.896 -7.652 -4.921 1.00 0.00 H new ATOM 297 N ARG A 19 10.637 -10.416 -4.250 1.00 0.00 N ATOM 298 CA ARG A 19 9.842 -11.668 -4.084 1.00 0.00 C ATOM 299 C ARG A 19 9.351 -12.168 -5.450 1.00 0.00 C ATOM 300 O ARG A 19 8.729 -11.430 -6.192 1.00 0.00 O ATOM 301 CB ARG A 19 8.659 -11.275 -3.193 1.00 0.00 C ATOM 302 CG ARG A 19 8.209 -12.491 -2.380 1.00 0.00 C ATOM 303 CD ARG A 19 7.143 -12.067 -1.364 1.00 0.00 C ATOM 304 NE ARG A 19 7.275 -13.033 -0.235 1.00 0.00 N ATOM 305 CZ ARG A 19 6.707 -14.208 -0.307 1.00 0.00 C ATOM 306 NH1 ARG A 19 7.310 -15.188 -0.928 1.00 0.00 N ATOM 307 NH2 ARG A 19 5.536 -14.399 0.242 1.00 0.00 N ATOM 0 H ARG A 19 10.099 -9.597 -4.532 1.00 0.00 H new ATOM 0 HA ARG A 19 10.428 -12.475 -3.644 1.00 0.00 H new ATOM 0 HB2 ARG A 19 8.947 -10.463 -2.525 1.00 0.00 H new ATOM 0 HB3 ARG A 19 7.835 -10.908 -3.805 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.808 -13.257 -3.044 1.00 0.00 H new ATOM 0 HG3 ARG A 19 9.062 -12.932 -1.864 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.305 -11.043 -1.027 1.00 0.00 H new ATOM 0 HD3 ARG A 19 6.145 -12.105 -1.801 1.00 0.00 H new ATOM 0 HE ARG A 19 7.810 -12.776 0.595 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.223 -15.035 -1.356 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.867 -16.105 -0.984 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.068 -13.632 0.725 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.090 -15.315 0.187 1.00 0.00 H new ATOM 321 N PRO A 20 9.646 -13.416 -5.737 1.00 0.00 N ATOM 322 CA PRO A 20 9.225 -14.023 -7.026 1.00 0.00 C ATOM 323 C PRO A 20 7.714 -14.290 -7.031 1.00 0.00 C ATOM 324 O PRO A 20 7.026 -14.050 -6.055 1.00 0.00 O ATOM 325 CB PRO A 20 10.007 -15.334 -7.079 1.00 0.00 C ATOM 326 CG PRO A 20 10.296 -15.670 -5.652 1.00 0.00 C ATOM 327 CD PRO A 20 10.393 -14.368 -4.902 1.00 0.00 C ATOM 0 HA PRO A 20 9.421 -13.379 -7.883 1.00 0.00 H new ATOM 0 HB2 PRO A 20 9.426 -16.121 -7.560 1.00 0.00 H new ATOM 0 HB3 PRO A 20 10.927 -15.222 -7.652 1.00 0.00 H new ATOM 0 HG2 PRO A 20 9.507 -16.296 -5.236 1.00 0.00 H new ATOM 0 HG3 PRO A 20 11.226 -16.232 -5.569 1.00 0.00 H new ATOM 0 HD2 PRO A 20 9.960 -14.449 -3.905 1.00 0.00 H new ATOM 0 HD3 PRO A 20 11.430 -14.058 -4.774 1.00 0.00 H new ATOM 335 N LEU A 21 7.197 -14.787 -8.126 1.00 0.00 N ATOM 336 CA LEU A 21 5.732 -15.076 -8.208 1.00 0.00 C ATOM 337 C LEU A 21 5.479 -16.271 -9.139 1.00 0.00 C ATOM 338 O LEU A 21 5.027 -16.103 -10.257 1.00 0.00 O ATOM 339 CB LEU A 21 5.107 -13.795 -8.773 1.00 0.00 C ATOM 340 CG LEU A 21 3.663 -13.665 -8.281 1.00 0.00 C ATOM 341 CD1 LEU A 21 3.652 -13.060 -6.875 1.00 0.00 C ATOM 342 CD2 LEU A 21 2.884 -12.754 -9.232 1.00 0.00 C ATOM 0 H LEU A 21 7.727 -15.006 -8.969 1.00 0.00 H new ATOM 0 HA LEU A 21 5.304 -15.340 -7.241 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.687 -12.927 -8.460 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.130 -13.818 -9.863 1.00 0.00 H new ATOM 0 HG LEU A 21 3.198 -14.651 -8.255 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.623 -12.968 -6.526 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.209 -13.706 -6.196 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.116 -12.074 -6.900 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.855 -12.660 -8.884 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.351 -11.769 -9.256 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.890 -13.183 -10.234 1.00 0.00 H new ATOM 354 N PRO A 22 5.781 -17.448 -8.643 1.00 0.00 N ATOM 355 CA PRO A 22 5.585 -18.686 -9.439 1.00 0.00 C ATOM 356 C PRO A 22 4.092 -19.031 -9.532 1.00 0.00 C ATOM 357 O PRO A 22 3.451 -19.321 -8.539 1.00 0.00 O ATOM 358 CB PRO A 22 6.348 -19.746 -8.649 1.00 0.00 C ATOM 359 CG PRO A 22 6.382 -19.238 -7.243 1.00 0.00 C ATOM 360 CD PRO A 22 6.330 -17.733 -7.309 1.00 0.00 C ATOM 0 HA PRO A 22 5.938 -18.598 -10.467 1.00 0.00 H new ATOM 0 HB2 PRO A 22 5.850 -20.714 -8.706 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.355 -19.882 -9.043 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.538 -19.627 -6.673 1.00 0.00 H new ATOM 0 HG3 PRO A 22 7.288 -19.569 -6.736 1.00 0.00 H new ATOM 0 HD2 PRO A 22 5.698 -17.322 -6.522 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.320 -17.295 -7.184 1.00 0.00 H new ATOM 368 N GLY A 23 3.537 -18.997 -10.719 1.00 0.00 N ATOM 369 CA GLY A 23 2.088 -19.319 -10.884 1.00 0.00 C ATOM 370 C GLY A 23 1.352 -18.100 -11.447 1.00 0.00 C ATOM 371 O GLY A 23 0.867 -18.122 -12.561 1.00 0.00 O ATOM 0 H GLY A 23 4.027 -18.760 -11.581 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.968 -20.170 -11.554 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.657 -19.606 -9.925 1.00 0.00 H new ATOM 375 N GLY A 24 1.264 -17.038 -10.682 1.00 0.00 N ATOM 376 CA GLY A 24 0.557 -15.815 -11.169 1.00 0.00 C ATOM 377 C GLY A 24 -0.953 -15.975 -10.949 1.00 0.00 C ATOM 378 O GLY A 24 -1.634 -16.567 -11.764 1.00 0.00 O ATOM 0 H GLY A 24 1.652 -16.967 -9.741 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.921 -14.936 -10.638 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.766 -15.658 -12.227 1.00 0.00 H new ATOM 382 N PRO A 25 -1.429 -15.440 -9.847 1.00 0.00 N ATOM 383 CA PRO A 25 -2.877 -15.529 -9.518 1.00 0.00 C ATOM 384 C PRO A 25 -3.701 -14.601 -10.423 1.00 0.00 C ATOM 385 O PRO A 25 -3.281 -13.507 -10.752 1.00 0.00 O ATOM 386 CB PRO A 25 -2.944 -15.069 -8.063 1.00 0.00 C ATOM 387 CG PRO A 25 -1.735 -14.208 -7.871 1.00 0.00 C ATOM 388 CD PRO A 25 -0.675 -14.711 -8.816 1.00 0.00 C ATOM 0 HA PRO A 25 -3.284 -16.529 -9.665 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -3.860 -14.512 -7.867 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.936 -15.918 -7.380 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -1.970 -13.164 -8.077 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -1.386 -14.259 -6.840 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -0.103 -13.889 -9.247 1.00 0.00 H new ATOM 0 HD3 PRO A 25 0.036 -15.362 -8.307 1.00 0.00 H new ATOM 396 N ILE A 26 -4.871 -15.034 -10.824 1.00 0.00 N ATOM 397 CA ILE A 26 -5.729 -14.185 -11.705 1.00 0.00 C ATOM 398 C ILE A 26 -6.777 -13.445 -10.863 1.00 0.00 C ATOM 399 O ILE A 26 -7.318 -13.985 -9.917 1.00 0.00 O ATOM 400 CB ILE A 26 -6.407 -15.161 -12.678 1.00 0.00 C ATOM 401 CG1 ILE A 26 -5.340 -15.938 -13.460 1.00 0.00 C ATOM 402 CG2 ILE A 26 -7.284 -14.380 -13.662 1.00 0.00 C ATOM 403 CD1 ILE A 26 -5.545 -17.440 -13.254 1.00 0.00 C ATOM 0 H ILE A 26 -5.269 -15.941 -10.578 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.151 -13.428 -12.235 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.024 -15.859 -12.112 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -5.402 -15.694 -14.521 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.345 -15.647 -13.124 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.764 -15.074 -14.352 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.047 -13.829 -13.112 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -6.666 -13.680 -14.224 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.786 -17.990 -13.810 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.460 -17.677 -12.193 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.535 -17.725 -13.611 1.00 0.00 H new ATOM 415 N GLY A 27 -7.063 -12.214 -11.204 1.00 0.00 N ATOM 416 CA GLY A 27 -8.073 -11.431 -10.430 1.00 0.00 C ATOM 417 C GLY A 27 -7.377 -10.682 -9.286 1.00 0.00 C ATOM 418 O GLY A 27 -7.343 -11.160 -8.168 1.00 0.00 O ATOM 0 H GLY A 27 -6.639 -11.716 -11.987 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.580 -10.723 -11.086 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.836 -12.098 -10.030 1.00 0.00 H new ATOM 422 N PRO A 28 -6.843 -9.527 -9.608 1.00 0.00 N ATOM 423 CA PRO A 28 -6.135 -8.700 -8.593 1.00 0.00 C ATOM 424 C PRO A 28 -7.130 -8.059 -7.613 1.00 0.00 C ATOM 425 O PRO A 28 -6.828 -7.875 -6.449 1.00 0.00 O ATOM 426 CB PRO A 28 -5.426 -7.637 -9.429 1.00 0.00 C ATOM 427 CG PRO A 28 -6.220 -7.537 -10.692 1.00 0.00 C ATOM 428 CD PRO A 28 -6.848 -8.886 -10.931 1.00 0.00 C ATOM 0 HA PRO A 28 -5.449 -9.281 -7.977 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.395 -6.681 -8.906 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.394 -7.921 -9.634 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.986 -6.766 -10.605 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.579 -7.257 -11.528 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -7.861 -8.790 -11.323 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.279 -9.467 -11.657 1.00 0.00 H new ATOM 436 N TYR A 29 -8.312 -7.720 -8.073 1.00 0.00 N ATOM 437 CA TYR A 29 -9.320 -7.095 -7.166 1.00 0.00 C ATOM 438 C TYR A 29 -10.030 -8.192 -6.362 1.00 0.00 C ATOM 439 O TYR A 29 -11.148 -8.572 -6.658 1.00 0.00 O ATOM 440 CB TYR A 29 -10.306 -6.382 -8.099 1.00 0.00 C ATOM 441 CG TYR A 29 -10.849 -5.147 -7.420 1.00 0.00 C ATOM 442 CD1 TYR A 29 -11.995 -5.222 -6.623 1.00 0.00 C ATOM 443 CD2 TYR A 29 -10.210 -3.918 -7.610 1.00 0.00 C ATOM 444 CE1 TYR A 29 -12.492 -4.065 -6.010 1.00 0.00 C ATOM 445 CE2 TYR A 29 -10.709 -2.765 -7.003 1.00 0.00 C ATOM 446 CZ TYR A 29 -11.849 -2.838 -6.201 1.00 0.00 C ATOM 447 OH TYR A 29 -12.339 -1.699 -5.601 1.00 0.00 O ATOM 0 H TYR A 29 -8.619 -7.850 -9.037 1.00 0.00 H new ATOM 0 HA TYR A 29 -8.875 -6.404 -6.451 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -9.808 -6.108 -9.029 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -11.124 -7.054 -8.361 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -12.495 -6.169 -6.481 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.327 -3.861 -8.229 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -13.374 -4.121 -5.389 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.214 -1.817 -7.154 1.00 0.00 H new ATOM 0 HH TYR A 29 -12.948 -1.948 -4.875 1.00 0.00 H new ATOM 457 N ASN A 30 -9.380 -8.714 -5.352 1.00 0.00 N ATOM 458 CA ASN A 30 -10.004 -9.799 -4.535 1.00 0.00 C ATOM 459 C ASN A 30 -10.257 -9.330 -3.096 1.00 0.00 C ATOM 460 O ASN A 30 -10.030 -10.060 -2.148 1.00 0.00 O ATOM 461 CB ASN A 30 -8.988 -10.947 -4.565 1.00 0.00 C ATOM 462 CG ASN A 30 -9.625 -12.178 -5.214 1.00 0.00 C ATOM 463 OD1 ASN A 30 -10.433 -12.850 -4.604 1.00 0.00 O ATOM 464 ND2 ASN A 30 -9.297 -12.503 -6.435 1.00 0.00 N ATOM 0 H ASN A 30 -8.444 -8.435 -5.058 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.975 -10.099 -4.929 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.101 -10.647 -5.123 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -8.662 -11.185 -3.552 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -9.719 -13.320 -6.876 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -8.619 -11.940 -6.948 1.00 0.00 H new ATOM 471 N GLY A 31 -10.732 -8.122 -2.922 1.00 0.00 N ATOM 472 CA GLY A 31 -11.004 -7.619 -1.542 1.00 0.00 C ATOM 473 C GLY A 31 -12.052 -6.500 -1.574 1.00 0.00 C ATOM 474 O GLY A 31 -12.017 -5.593 -0.763 1.00 0.00 O ATOM 0 H GLY A 31 -10.942 -7.465 -3.673 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.356 -8.437 -0.913 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.081 -7.248 -1.095 1.00 0.00 H new ATOM 478 N CYS A 32 -12.987 -6.564 -2.496 1.00 0.00 N ATOM 479 CA CYS A 32 -14.048 -5.509 -2.583 1.00 0.00 C ATOM 480 C CYS A 32 -14.984 -5.781 -3.772 1.00 0.00 C ATOM 481 O CYS A 32 -14.543 -5.792 -4.904 1.00 0.00 O ATOM 482 CB CYS A 32 -13.301 -4.189 -2.817 1.00 0.00 C ATOM 483 SG CYS A 32 -14.513 -2.858 -3.006 1.00 0.00 S ATOM 0 H CYS A 32 -13.060 -7.305 -3.194 1.00 0.00 H new ATOM 0 HA CYS A 32 -14.658 -5.487 -1.680 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -12.636 -3.978 -1.979 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -12.678 -4.261 -3.708 1.00 0.00 H new ATOM 488 N PRO A 33 -16.254 -5.971 -3.490 1.00 0.00 N ATOM 489 CA PRO A 33 -17.234 -6.208 -4.580 1.00 0.00 C ATOM 490 C PRO A 33 -17.550 -4.883 -5.297 1.00 0.00 C ATOM 491 O PRO A 33 -17.624 -3.837 -4.679 1.00 0.00 O ATOM 492 CB PRO A 33 -18.461 -6.747 -3.852 1.00 0.00 C ATOM 493 CG PRO A 33 -18.354 -6.223 -2.455 1.00 0.00 C ATOM 494 CD PRO A 33 -16.891 -5.998 -2.163 1.00 0.00 C ATOM 0 HA PRO A 33 -16.874 -6.894 -5.347 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -19.381 -6.409 -4.329 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -18.477 -7.837 -3.863 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -18.913 -5.293 -2.351 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -18.781 -6.932 -1.746 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -16.732 -5.063 -1.627 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -16.482 -6.795 -1.542 1.00 0.00 H new ATOM 502 N VAL A 34 -17.728 -4.919 -6.595 1.00 0.00 N ATOM 503 CA VAL A 34 -18.031 -3.662 -7.354 1.00 0.00 C ATOM 504 C VAL A 34 -19.479 -3.201 -7.100 1.00 0.00 C ATOM 505 O VAL A 34 -19.772 -2.021 -7.136 1.00 0.00 O ATOM 506 CB VAL A 34 -17.826 -4.024 -8.834 1.00 0.00 C ATOM 507 CG1 VAL A 34 -18.400 -2.919 -9.727 1.00 0.00 C ATOM 508 CG2 VAL A 34 -16.327 -4.172 -9.122 1.00 0.00 C ATOM 0 H VAL A 34 -17.677 -5.764 -7.163 1.00 0.00 H new ATOM 0 HA VAL A 34 -17.388 -2.838 -7.044 1.00 0.00 H new ATOM 0 HB VAL A 34 -18.339 -4.963 -9.044 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -18.251 -3.183 -10.774 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -19.466 -2.808 -9.529 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -17.892 -1.978 -9.514 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -16.182 -4.429 -10.171 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -15.820 -3.232 -8.905 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -15.912 -4.961 -8.495 1.00 0.00 H new ATOM 518 N SER A 35 -20.382 -4.120 -6.849 1.00 0.00 N ATOM 519 CA SER A 35 -21.809 -3.733 -6.601 1.00 0.00 C ATOM 520 C SER A 35 -21.995 -3.089 -5.214 1.00 0.00 C ATOM 521 O SER A 35 -23.045 -2.546 -4.924 1.00 0.00 O ATOM 522 CB SER A 35 -22.597 -5.042 -6.690 1.00 0.00 C ATOM 523 OG SER A 35 -23.947 -4.759 -7.033 1.00 0.00 O ATOM 0 H SER A 35 -20.193 -5.121 -6.805 1.00 0.00 H new ATOM 0 HA SER A 35 -22.147 -2.990 -7.324 1.00 0.00 H new ATOM 0 HB2 SER A 35 -22.150 -5.698 -7.437 1.00 0.00 H new ATOM 0 HB3 SER A 35 -22.555 -5.570 -5.737 1.00 0.00 H new ATOM 0 HG SER A 35 -24.452 -5.597 -7.092 1.00 0.00 H new ATOM 529 N CYS A 36 -20.997 -3.150 -4.355 1.00 0.00 N ATOM 530 CA CYS A 36 -21.123 -2.547 -2.982 1.00 0.00 C ATOM 531 C CYS A 36 -22.318 -3.152 -2.225 1.00 0.00 C ATOM 532 O CYS A 36 -22.921 -2.509 -1.381 1.00 0.00 O ATOM 533 CB CYS A 36 -21.328 -1.042 -3.204 1.00 0.00 C ATOM 534 SG CYS A 36 -19.864 -0.330 -4.003 1.00 0.00 S ATOM 0 H CYS A 36 -20.098 -3.593 -4.547 1.00 0.00 H new ATOM 0 HA CYS A 36 -20.238 -2.747 -2.377 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -22.209 -0.874 -3.823 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -21.510 -0.546 -2.250 1.00 0.00 H new ATOM 539 N ARG A 37 -22.661 -4.385 -2.517 1.00 0.00 N ATOM 540 CA ARG A 37 -23.810 -5.038 -1.822 1.00 0.00 C ATOM 541 C ARG A 37 -23.394 -6.401 -1.253 1.00 0.00 C ATOM 542 O ARG A 37 -22.426 -6.997 -1.688 1.00 0.00 O ATOM 543 CB ARG A 37 -24.881 -5.215 -2.901 1.00 0.00 C ATOM 544 CG ARG A 37 -25.659 -3.907 -3.071 1.00 0.00 C ATOM 545 CD ARG A 37 -26.645 -3.740 -1.910 1.00 0.00 C ATOM 546 NE ARG A 37 -26.210 -2.499 -1.208 1.00 0.00 N ATOM 547 CZ ARG A 37 -26.898 -1.398 -1.344 1.00 0.00 C ATOM 548 NH1 ARG A 37 -27.917 -1.166 -0.558 1.00 0.00 N ATOM 549 NH2 ARG A 37 -26.567 -0.532 -2.266 1.00 0.00 N ATOM 0 H ARG A 37 -22.191 -4.967 -3.210 1.00 0.00 H new ATOM 0 HA ARG A 37 -24.168 -4.443 -0.982 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -24.417 -5.499 -3.845 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -25.561 -6.021 -2.624 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -24.970 -3.063 -3.100 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -26.196 -3.912 -4.019 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -27.669 -3.650 -2.272 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -26.618 -4.601 -1.242 1.00 0.00 H new ATOM 0 HE ARG A 37 -25.375 -2.510 -0.622 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -28.173 -1.845 0.159 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -28.456 -0.306 -0.662 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -25.772 -0.717 -2.878 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -27.104 0.329 -2.373 1.00 0.00 H new ATOM 563 N GLY A 38 -24.124 -6.894 -0.283 1.00 0.00 N ATOM 564 CA GLY A 38 -23.787 -8.218 0.325 1.00 0.00 C ATOM 565 C GLY A 38 -22.498 -8.107 1.147 1.00 0.00 C ATOM 566 O GLY A 38 -21.693 -9.019 1.170 1.00 0.00 O ATOM 0 H GLY A 38 -24.943 -6.434 0.115 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -24.606 -8.554 0.962 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -23.665 -8.966 -0.458 1.00 0.00 H new ATOM 570 N ILE A 39 -22.299 -7.002 1.825 1.00 0.00 N ATOM 571 CA ILE A 39 -21.064 -6.831 2.651 1.00 0.00 C ATOM 572 C ILE A 39 -21.382 -6.050 3.927 1.00 0.00 C ATOM 573 O ILE A 39 -22.371 -5.341 4.006 1.00 0.00 O ATOM 574 CB ILE A 39 -20.072 -6.047 1.777 1.00 0.00 C ATOM 575 CG1 ILE A 39 -20.690 -4.699 1.372 1.00 0.00 C ATOM 576 CG2 ILE A 39 -19.732 -6.862 0.527 1.00 0.00 C ATOM 577 CD1 ILE A 39 -19.774 -3.980 0.378 1.00 0.00 C ATOM 0 H ILE A 39 -22.941 -6.210 1.841 1.00 0.00 H new ATOM 0 HA ILE A 39 -20.652 -7.793 2.955 1.00 0.00 H new ATOM 0 HB ILE A 39 -19.159 -5.864 2.343 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -21.671 -4.859 0.925 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -20.840 -4.078 2.255 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -19.029 -6.304 -0.091 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -19.283 -7.810 0.822 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -20.642 -7.053 -0.042 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -20.220 -3.026 0.097 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -18.802 -3.804 0.840 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -19.647 -4.597 -0.511 1.00 0.00 H new ATOM 589 N SER A 40 -20.544 -6.169 4.920 1.00 0.00 N ATOM 590 CA SER A 40 -20.772 -5.431 6.194 1.00 0.00 C ATOM 591 C SER A 40 -20.403 -3.959 6.010 1.00 0.00 C ATOM 592 O SER A 40 -19.667 -3.608 5.105 1.00 0.00 O ATOM 593 CB SER A 40 -19.837 -6.086 7.214 1.00 0.00 C ATOM 594 OG SER A 40 -19.934 -7.500 7.112 1.00 0.00 O ATOM 0 H SER A 40 -19.706 -6.750 4.903 1.00 0.00 H new ATOM 0 HA SER A 40 -21.813 -5.472 6.514 1.00 0.00 H new ATOM 0 HB2 SER A 40 -18.810 -5.768 7.037 1.00 0.00 H new ATOM 0 HB3 SER A 40 -20.100 -5.765 8.222 1.00 0.00 H new ATOM 0 HG SER A 40 -19.071 -7.867 6.827 1.00 0.00 H new ATOM 600 N PHE A 41 -20.894 -3.098 6.863 1.00 0.00 N ATOM 601 CA PHE A 41 -20.555 -1.647 6.740 1.00 0.00 C ATOM 602 C PHE A 41 -19.033 -1.469 6.816 1.00 0.00 C ATOM 603 O PHE A 41 -18.448 -0.747 6.032 1.00 0.00 O ATOM 604 CB PHE A 41 -21.241 -0.963 7.927 1.00 0.00 C ATOM 605 CG PHE A 41 -21.239 0.534 7.714 1.00 0.00 C ATOM 606 CD1 PHE A 41 -22.198 1.124 6.882 1.00 0.00 C ATOM 607 CD2 PHE A 41 -20.276 1.330 8.346 1.00 0.00 C ATOM 608 CE1 PHE A 41 -22.194 2.511 6.683 1.00 0.00 C ATOM 609 CE2 PHE A 41 -20.273 2.716 8.148 1.00 0.00 C ATOM 610 CZ PHE A 41 -21.231 3.306 7.316 1.00 0.00 C ATOM 0 H PHE A 41 -21.514 -3.335 7.638 1.00 0.00 H new ATOM 0 HA PHE A 41 -20.887 -1.221 5.793 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -22.264 -1.326 8.028 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -20.722 -1.210 8.853 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -22.941 0.510 6.394 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -19.535 0.875 8.987 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -22.934 2.967 6.041 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -19.531 3.330 8.637 1.00 0.00 H new ATOM 0 HZ PHE A 41 -21.228 4.375 7.162 1.00 0.00 H new ATOM 620 N SER A 42 -18.392 -2.137 7.746 1.00 0.00 N ATOM 621 CA SER A 42 -16.906 -2.025 7.867 1.00 0.00 C ATOM 622 C SER A 42 -16.238 -2.551 6.593 1.00 0.00 C ATOM 623 O SER A 42 -15.259 -2.001 6.127 1.00 0.00 O ATOM 624 CB SER A 42 -16.531 -2.894 9.072 1.00 0.00 C ATOM 625 OG SER A 42 -15.297 -2.439 9.617 1.00 0.00 O ATOM 0 H SER A 42 -18.835 -2.755 8.426 1.00 0.00 H new ATOM 0 HA SER A 42 -16.578 -0.994 7.999 1.00 0.00 H new ATOM 0 HB2 SER A 42 -17.315 -2.845 9.828 1.00 0.00 H new ATOM 0 HB3 SER A 42 -16.445 -3.938 8.769 1.00 0.00 H new ATOM 0 HG SER A 42 -15.056 -2.993 10.389 1.00 0.00 H new ATOM 631 N GLN A 43 -16.774 -3.601 6.018 1.00 0.00 N ATOM 632 CA GLN A 43 -16.185 -4.154 4.759 1.00 0.00 C ATOM 633 C GLN A 43 -16.317 -3.125 3.633 1.00 0.00 C ATOM 634 O GLN A 43 -15.381 -2.865 2.900 1.00 0.00 O ATOM 635 CB GLN A 43 -17.020 -5.399 4.440 1.00 0.00 C ATOM 636 CG GLN A 43 -16.158 -6.652 4.581 1.00 0.00 C ATOM 637 CD GLN A 43 -17.030 -7.825 5.042 1.00 0.00 C ATOM 638 OE1 GLN A 43 -16.987 -8.212 6.193 1.00 0.00 O ATOM 639 NE2 GLN A 43 -17.827 -8.411 4.189 1.00 0.00 N ATOM 0 H GLN A 43 -17.594 -4.098 6.367 1.00 0.00 H new ATOM 0 HA GLN A 43 -15.126 -4.391 4.864 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -17.875 -5.457 5.114 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -17.417 -5.332 3.427 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -15.685 -6.890 3.628 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -15.357 -6.476 5.299 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -17.865 -8.088 3.222 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -18.411 -9.191 4.490 1.00 0.00 H new ATOM 648 N ALA A 44 -17.478 -2.535 3.505 1.00 0.00 N ATOM 649 CA ALA A 44 -17.695 -1.510 2.439 1.00 0.00 C ATOM 650 C ALA A 44 -16.865 -0.257 2.742 1.00 0.00 C ATOM 651 O ALA A 44 -16.326 0.372 1.848 1.00 0.00 O ATOM 652 CB ALA A 44 -19.194 -1.201 2.485 1.00 0.00 C ATOM 0 H ALA A 44 -18.289 -2.720 4.096 1.00 0.00 H new ATOM 0 HA ALA A 44 -17.389 -1.859 1.453 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -19.435 -0.454 1.729 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -19.759 -2.112 2.288 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -19.456 -0.817 3.471 1.00 0.00 H new ATOM 658 N ARG A 45 -16.743 0.096 3.999 1.00 0.00 N ATOM 659 CA ARG A 45 -15.932 1.291 4.372 1.00 0.00 C ATOM 660 C ARG A 45 -14.444 1.001 4.137 1.00 0.00 C ATOM 661 O ARG A 45 -13.691 1.863 3.722 1.00 0.00 O ATOM 662 CB ARG A 45 -16.206 1.516 5.862 1.00 0.00 C ATOM 663 CG ARG A 45 -15.762 2.927 6.261 1.00 0.00 C ATOM 664 CD ARG A 45 -16.584 3.407 7.462 1.00 0.00 C ATOM 665 NE ARG A 45 -16.089 2.609 8.621 1.00 0.00 N ATOM 666 CZ ARG A 45 -15.055 3.019 9.307 1.00 0.00 C ATOM 667 NH1 ARG A 45 -15.182 4.014 10.147 1.00 0.00 N ATOM 668 NH2 ARG A 45 -13.895 2.435 9.152 1.00 0.00 N ATOM 0 H ARG A 45 -17.173 -0.395 4.783 1.00 0.00 H new ATOM 0 HA ARG A 45 -16.189 2.169 3.779 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -17.268 1.386 6.070 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -15.672 0.775 6.456 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -14.701 2.928 6.511 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -15.893 3.611 5.422 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -16.446 4.475 7.632 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -17.650 3.245 7.299 1.00 0.00 H new ATOM 0 HE ARG A 45 -16.559 1.741 8.879 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -16.087 4.469 10.266 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -14.376 4.335 10.683 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -13.798 1.660 8.496 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -13.088 2.755 9.687 1.00 0.00 H new ATOM 682 N SER A 46 -14.022 -0.214 4.403 1.00 0.00 N ATOM 683 CA SER A 46 -12.586 -0.586 4.204 1.00 0.00 C ATOM 684 C SER A 46 -12.193 -0.476 2.723 1.00 0.00 C ATOM 685 O SER A 46 -11.110 -0.025 2.402 1.00 0.00 O ATOM 686 CB SER A 46 -12.479 -2.038 4.676 1.00 0.00 C ATOM 687 OG SER A 46 -11.108 -2.390 4.813 1.00 0.00 O ATOM 0 H SER A 46 -14.615 -0.967 4.751 1.00 0.00 H new ATOM 0 HA SER A 46 -11.918 0.076 4.755 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.994 -2.161 5.628 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.967 -2.701 3.961 1.00 0.00 H new ATOM 0 HG SER A 46 -11.038 -3.319 5.117 1.00 0.00 H new ATOM 693 N CYS A 47 -13.059 -0.884 1.821 1.00 0.00 N ATOM 694 CA CYS A 47 -12.718 -0.797 0.366 1.00 0.00 C ATOM 695 C CYS A 47 -12.634 0.664 -0.085 1.00 0.00 C ATOM 696 O CYS A 47 -11.774 1.027 -0.861 1.00 0.00 O ATOM 697 CB CYS A 47 -13.852 -1.504 -0.377 1.00 0.00 C ATOM 698 SG CYS A 47 -13.629 -1.258 -2.157 1.00 0.00 S ATOM 0 H CYS A 47 -13.980 -1.270 2.030 1.00 0.00 H new ATOM 0 HA CYS A 47 -11.750 -1.256 0.163 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -13.852 -2.568 -0.141 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -14.816 -1.107 -0.059 1.00 0.00 H new ATOM 703 N CYS A 48 -13.523 1.500 0.387 1.00 0.00 N ATOM 704 CA CYS A 48 -13.492 2.940 -0.028 1.00 0.00 C ATOM 705 C CYS A 48 -12.149 3.584 0.343 1.00 0.00 C ATOM 706 O CYS A 48 -11.580 4.332 -0.428 1.00 0.00 O ATOM 707 CB CYS A 48 -14.628 3.611 0.745 1.00 0.00 C ATOM 708 SG CYS A 48 -14.640 5.387 0.394 1.00 0.00 S ATOM 0 H CYS A 48 -14.267 1.252 1.039 1.00 0.00 H new ATOM 0 HA CYS A 48 -13.609 3.048 -1.106 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -15.583 3.168 0.463 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -14.502 3.443 1.815 1.00 0.00 H new ATOM 713 N SER A 49 -11.648 3.307 1.520 1.00 0.00 N ATOM 714 CA SER A 49 -10.350 3.915 1.952 1.00 0.00 C ATOM 715 C SER A 49 -9.142 3.179 1.347 1.00 0.00 C ATOM 716 O SER A 49 -8.048 3.710 1.312 1.00 0.00 O ATOM 717 CB SER A 49 -10.340 3.789 3.477 1.00 0.00 C ATOM 718 OG SER A 49 -9.928 5.022 4.050 1.00 0.00 O ATOM 0 H SER A 49 -12.082 2.685 2.203 1.00 0.00 H new ATOM 0 HA SER A 49 -10.269 4.949 1.615 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.333 3.522 3.837 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.665 2.990 3.782 1.00 0.00 H new ATOM 0 HG SER A 49 -9.923 4.943 5.027 1.00 0.00 H new ATOM 724 N ARG A 50 -9.320 1.966 0.886 1.00 0.00 N ATOM 725 CA ARG A 50 -8.165 1.212 0.306 1.00 0.00 C ATOM 726 C ARG A 50 -8.206 1.198 -1.231 1.00 0.00 C ATOM 727 O ARG A 50 -7.187 1.035 -1.874 1.00 0.00 O ATOM 728 CB ARG A 50 -8.308 -0.212 0.852 1.00 0.00 C ATOM 729 CG ARG A 50 -6.919 -0.811 1.091 1.00 0.00 C ATOM 730 CD ARG A 50 -6.682 -0.973 2.595 1.00 0.00 C ATOM 731 NE ARG A 50 -6.923 -2.419 2.869 1.00 0.00 N ATOM 732 CZ ARG A 50 -5.993 -3.138 3.437 1.00 0.00 C ATOM 733 NH1 ARG A 50 -5.057 -3.687 2.708 1.00 0.00 N ATOM 734 NH2 ARG A 50 -5.999 -3.306 4.734 1.00 0.00 N ATOM 0 H ARG A 50 -10.210 1.467 0.886 1.00 0.00 H new ATOM 0 HA ARG A 50 -7.216 1.675 0.578 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.875 -0.200 1.783 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -8.865 -0.829 0.147 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -6.838 -1.778 0.594 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -6.154 -0.165 0.659 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -5.667 -0.683 2.868 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -7.360 -0.344 3.172 1.00 0.00 H new ATOM 0 HE ARG A 50 -7.813 -2.846 2.613 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.054 -3.553 1.697 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -4.330 -4.249 3.150 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -6.730 -2.876 5.301 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.273 -3.868 5.179 1.00 0.00 H new ATOM 748 N LEU A 51 -9.368 1.342 -1.827 1.00 0.00 N ATOM 749 CA LEU A 51 -9.451 1.307 -3.324 1.00 0.00 C ATOM 750 C LEU A 51 -10.341 2.428 -3.896 1.00 0.00 C ATOM 751 O LEU A 51 -10.426 2.590 -5.099 1.00 0.00 O ATOM 752 CB LEU A 51 -10.057 -0.063 -3.646 1.00 0.00 C ATOM 753 CG LEU A 51 -8.958 -1.131 -3.619 1.00 0.00 C ATOM 754 CD1 LEU A 51 -9.566 -2.489 -3.259 1.00 0.00 C ATOM 755 CD2 LEU A 51 -8.297 -1.219 -4.998 1.00 0.00 C ATOM 0 H LEU A 51 -10.256 1.481 -1.346 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.469 1.461 -3.770 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.834 -0.308 -2.921 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.532 -0.040 -4.627 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.211 -0.860 -2.872 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.782 -3.246 -3.241 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.035 -2.429 -2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -10.315 -2.761 -4.003 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.515 -1.978 -4.979 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.045 -1.487 -5.744 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.859 -0.254 -5.254 1.00 0.00 H new ATOM 767 N GLY A 52 -11.008 3.195 -3.065 1.00 0.00 N ATOM 768 CA GLY A 52 -11.887 4.285 -3.593 1.00 0.00 C ATOM 769 C GLY A 52 -13.196 3.688 -4.138 1.00 0.00 C ATOM 770 O GLY A 52 -13.859 4.287 -4.964 1.00 0.00 O ATOM 0 H GLY A 52 -10.981 3.113 -2.049 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.106 5.002 -2.802 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.370 4.830 -4.383 1.00 0.00 H new ATOM 774 N ARG A 53 -13.572 2.513 -3.684 1.00 0.00 N ATOM 775 CA ARG A 53 -14.832 1.882 -4.179 1.00 0.00 C ATOM 776 C ARG A 53 -15.836 1.719 -3.036 1.00 0.00 C ATOM 777 O ARG A 53 -15.469 1.535 -1.890 1.00 0.00 O ATOM 778 CB ARG A 53 -14.412 0.514 -4.721 1.00 0.00 C ATOM 779 CG ARG A 53 -14.090 0.628 -6.214 1.00 0.00 C ATOM 780 CD ARG A 53 -14.759 -0.525 -6.972 1.00 0.00 C ATOM 781 NE ARG A 53 -15.626 0.124 -8.003 1.00 0.00 N ATOM 782 CZ ARG A 53 -16.654 0.847 -7.640 1.00 0.00 C ATOM 783 NH1 ARG A 53 -17.612 0.308 -6.929 1.00 0.00 N ATOM 784 NH2 ARG A 53 -16.722 2.106 -7.989 1.00 0.00 N ATOM 0 H ARG A 53 -13.058 1.967 -2.992 1.00 0.00 H new ATOM 0 HA ARG A 53 -15.318 2.491 -4.941 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -13.540 0.149 -4.178 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -15.211 -0.211 -4.566 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -14.442 1.584 -6.601 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -13.011 0.600 -6.367 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -14.016 -1.173 -7.436 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -15.349 -1.147 -6.299 1.00 0.00 H new ATOM 0 HE ARG A 53 -15.415 0.002 -8.994 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -17.556 -0.674 -6.659 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -18.414 0.870 -6.645 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -15.974 2.523 -8.543 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -17.523 2.671 -7.707 1.00 0.00 H new ATOM 798 N CYS A 54 -17.105 1.810 -3.353 1.00 0.00 N ATOM 799 CA CYS A 54 -18.182 1.684 -2.320 1.00 0.00 C ATOM 800 C CYS A 54 -18.020 2.802 -1.290 1.00 0.00 C ATOM 801 O CYS A 54 -18.045 2.584 -0.093 1.00 0.00 O ATOM 802 CB CYS A 54 -18.009 0.299 -1.675 1.00 0.00 C ATOM 803 SG CYS A 54 -18.302 -0.999 -2.907 1.00 0.00 S ATOM 0 H CYS A 54 -17.446 1.969 -4.301 1.00 0.00 H new ATOM 0 HA CYS A 54 -19.180 1.775 -2.749 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -17.004 0.203 -1.265 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -18.705 0.186 -0.843 1.00 0.00 H new ATOM 808 N CYS A 55 -17.839 4.003 -1.769 1.00 0.00 N ATOM 809 CA CYS A 55 -17.652 5.169 -0.863 1.00 0.00 C ATOM 810 C CYS A 55 -18.997 5.842 -0.536 1.00 0.00 C ATOM 811 O CYS A 55 -19.065 6.716 0.307 1.00 0.00 O ATOM 812 CB CYS A 55 -16.745 6.112 -1.656 1.00 0.00 C ATOM 813 SG CYS A 55 -15.038 5.510 -1.583 1.00 0.00 S ATOM 0 H CYS A 55 -17.813 4.227 -2.764 1.00 0.00 H new ATOM 0 HA CYS A 55 -17.224 4.885 0.099 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -17.078 6.168 -2.692 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -16.804 7.121 -1.247 1.00 0.00 H new ATOM 818 N HIS A 56 -20.066 5.440 -1.186 1.00 0.00 N ATOM 819 CA HIS A 56 -21.398 6.051 -0.904 1.00 0.00 C ATOM 820 C HIS A 56 -22.405 4.956 -0.519 1.00 0.00 C ATOM 821 O HIS A 56 -23.523 4.929 -1.000 1.00 0.00 O ATOM 822 CB HIS A 56 -21.800 6.733 -2.215 1.00 0.00 C ATOM 823 CG HIS A 56 -22.658 7.932 -1.918 1.00 0.00 C ATOM 824 ND1 HIS A 56 -22.118 9.161 -1.570 1.00 0.00 N ATOM 825 CD2 HIS A 56 -24.021 8.107 -1.914 1.00 0.00 C ATOM 826 CE1 HIS A 56 -23.142 10.012 -1.374 1.00 0.00 C ATOM 827 NE2 HIS A 56 -24.323 9.422 -1.571 1.00 0.00 N ATOM 0 H HIS A 56 -20.069 4.713 -1.901 1.00 0.00 H new ATOM 0 HA HIS A 56 -21.372 6.758 -0.074 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -20.910 7.038 -2.766 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -22.343 6.033 -2.849 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -24.747 7.341 -2.142 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -23.023 11.048 -1.091 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -25.248 9.844 -1.488 1.00 0.00 H new ATOM 835 N VAL A 57 -22.010 4.051 0.345 1.00 0.00 N ATOM 836 CA VAL A 57 -22.935 2.951 0.765 1.00 0.00 C ATOM 837 C VAL A 57 -23.891 3.443 1.860 1.00 0.00 C ATOM 838 O VAL A 57 -23.492 4.128 2.783 1.00 0.00 O ATOM 839 CB VAL A 57 -22.027 1.838 1.309 1.00 0.00 C ATOM 840 CG1 VAL A 57 -22.878 0.633 1.722 1.00 0.00 C ATOM 841 CG2 VAL A 57 -21.036 1.403 0.227 1.00 0.00 C ATOM 0 H VAL A 57 -21.087 4.027 0.777 1.00 0.00 H new ATOM 0 HA VAL A 57 -23.552 2.603 -0.064 1.00 0.00 H new ATOM 0 HB VAL A 57 -21.482 2.216 2.174 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -22.231 -0.155 2.107 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -23.584 0.934 2.496 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -23.426 0.261 0.856 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -20.394 0.613 0.618 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -21.583 1.031 -0.639 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -20.424 2.255 -0.069 1.00 0.00 H new ATOM 851 N GLY A 58 -25.149 3.086 1.765 1.00 0.00 N ATOM 852 CA GLY A 58 -26.138 3.519 2.797 1.00 0.00 C ATOM 853 C GLY A 58 -26.629 4.936 2.485 1.00 0.00 C ATOM 854 O GLY A 58 -25.883 5.893 2.569 1.00 0.00 O ATOM 0 H GLY A 58 -25.533 2.512 1.014 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -26.981 2.829 2.818 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -25.680 3.493 3.786 1.00 0.00 H new ATOM 858 N LYS A 59 -27.882 5.076 2.129 1.00 0.00 N ATOM 859 CA LYS A 59 -28.430 6.428 1.813 1.00 0.00 C ATOM 860 C LYS A 59 -29.492 6.821 2.848 1.00 0.00 C ATOM 861 O LYS A 59 -30.635 6.408 2.767 1.00 0.00 O ATOM 862 CB LYS A 59 -29.050 6.295 0.416 1.00 0.00 C ATOM 863 CG LYS A 59 -28.140 6.973 -0.613 1.00 0.00 C ATOM 864 CD LYS A 59 -28.765 6.859 -2.006 1.00 0.00 C ATOM 865 CE LYS A 59 -28.295 5.563 -2.676 1.00 0.00 C ATOM 866 NZ LYS A 59 -28.672 5.705 -4.113 1.00 0.00 N ATOM 0 H LYS A 59 -28.549 4.309 2.044 1.00 0.00 H new ATOM 0 HA LYS A 59 -27.663 7.202 1.838 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -29.182 5.243 0.164 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -30.039 6.753 0.400 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -27.997 8.022 -0.352 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -27.155 6.506 -0.606 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -29.852 6.867 -1.930 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -28.482 7.718 -2.614 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -27.219 5.429 -2.563 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -28.774 4.692 -2.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -28.381 4.853 -4.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -29.702 5.823 -4.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -28.196 6.537 -4.516 1.00 0.00 H new ATOM 880 N GLY A 60 -29.117 7.612 3.822 1.00 0.00 N ATOM 881 CA GLY A 60 -30.092 8.035 4.872 1.00 0.00 C ATOM 882 C GLY A 60 -30.054 7.043 6.038 1.00 0.00 C ATOM 883 O GLY A 60 -30.200 5.849 5.854 1.00 0.00 O ATOM 0 H GLY A 60 -28.174 7.984 3.935 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -29.849 9.037 5.226 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -31.097 8.080 4.452 1.00 0.00 H new ATOM 887 N TYR A 61 -29.859 7.531 7.238 1.00 0.00 N ATOM 888 CA TYR A 61 -29.810 6.622 8.424 1.00 0.00 C ATOM 889 C TYR A 61 -31.204 6.057 8.720 1.00 0.00 C ATOM 890 O TYR A 61 -32.210 6.629 8.344 1.00 0.00 O ATOM 891 CB TYR A 61 -29.325 7.498 9.583 1.00 0.00 C ATOM 892 CG TYR A 61 -28.917 6.624 10.745 1.00 0.00 C ATOM 893 CD1 TYR A 61 -27.686 5.956 10.724 1.00 0.00 C ATOM 894 CD2 TYR A 61 -29.772 6.477 11.845 1.00 0.00 C ATOM 895 CE1 TYR A 61 -27.310 5.145 11.800 1.00 0.00 C ATOM 896 CE2 TYR A 61 -29.396 5.665 12.920 1.00 0.00 C ATOM 897 CZ TYR A 61 -28.165 4.999 12.898 1.00 0.00 C ATOM 898 OH TYR A 61 -27.795 4.197 13.958 1.00 0.00 O ATOM 0 H TYR A 61 -29.731 8.521 7.447 1.00 0.00 H new ATOM 0 HA TYR A 61 -29.152 5.769 8.259 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -28.482 8.109 9.261 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -30.116 8.182 9.890 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -27.026 6.067 9.876 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -30.722 6.991 11.863 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -26.360 4.632 11.783 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -30.056 5.552 13.767 1.00 0.00 H new ATOM 0 HH TYR A 61 -28.501 4.206 14.637 1.00 0.00 H new ATOM 908 N SER A 62 -31.265 4.936 9.391 1.00 0.00 N ATOM 909 CA SER A 62 -32.585 4.319 9.718 1.00 0.00 C ATOM 910 C SER A 62 -32.652 3.938 11.201 1.00 0.00 C ATOM 911 O SER A 62 -31.646 3.868 11.883 1.00 0.00 O ATOM 912 CB SER A 62 -32.678 3.066 8.843 1.00 0.00 C ATOM 913 OG SER A 62 -31.444 2.357 8.888 1.00 0.00 O ATOM 0 H SER A 62 -30.453 4.419 9.728 1.00 0.00 H new ATOM 0 HA SER A 62 -33.408 5.009 9.531 1.00 0.00 H new ATOM 0 HB2 SER A 62 -33.489 2.427 9.192 1.00 0.00 H new ATOM 0 HB3 SER A 62 -32.911 3.345 7.815 1.00 0.00 H new ATOM 0 HG SER A 62 -31.507 1.555 8.329 1.00 0.00 H new ATOM 919 N GLY A 63 -33.835 3.689 11.699 1.00 0.00 N ATOM 920 CA GLY A 63 -33.985 3.309 13.135 1.00 0.00 C ATOM 921 C GLY A 63 -35.467 3.306 13.510 1.00 0.00 C ATOM 922 O GLY A 63 -36.074 2.251 13.437 1.00 0.00 O ATOM 923 OXT GLY A 63 -35.969 4.361 13.863 1.00 0.00 O ATOM 0 H GLY A 63 -34.707 3.733 11.171 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -33.553 2.323 13.308 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -33.441 4.011 13.767 1.00 0.00 H new TER 927 GLY A 63