USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 727 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 33 CYS SG : rot -22:sc= 1.9 USER MOD Set 1.2: A 83 CYS SG : rot 173:sc= 1.4 USER MOD Single : A 1 GLY N :NH3+ -177:sc= 0 (180deg=-0.00633) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 32:sc= 0.626 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -127:sc= -1.18 (180deg=-2.05!) USER MOD Single : A 13 LYS NZ :NH3+ -161:sc= -0.0256 (180deg=-0.26) USER MOD Single : A 15 GLN : amide:sc= -7.32! C(o=-7.3!,f=-7.1!) USER MOD Single : A 18 HIS : no HD1:sc= -3.35 X(o=-3.4,f=-3.8!) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 28 SER OG : rot 180:sc= -0.35 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.22 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc=-0.00469 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -140:sc= 0.351 (180deg=-0.00501) USER MOD Single : A 49 LYS NZ :NH3+ 144:sc= 0.56 (180deg=-1.44!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 33:sc= 0.932 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 CYS SG : rot 180:sc= -1.74! USER MOD Single : A 65 THR OG1 : rot 6:sc= 0.108 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 72 GLN : amide:sc= -0.0235 K(o=-0.023,f=-1.5!) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 TYR OH : rot -17:sc= 0.465 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.529 K(o=-0.53,f=-2.6!) USER MOD Single : A 89 GLN : amide:sc= -0.356 X(o=-0.36,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= -0.0324 USER MOD Single : A 95 GLN : amide:sc= -0.0508 K(o=-0.051,f=-0.87) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.0088) USER MOD Single : A 100 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.774 33.601 19.919 1.00 0.00 N ATOM 2 CA GLY A 1 3.441 33.630 19.346 1.00 0.00 C ATOM 3 C GLY A 1 3.366 32.907 18.016 1.00 0.00 C ATOM 4 O GLY A 1 2.440 32.133 17.774 1.00 0.00 O ATOM 0 H1 GLY A 1 4.762 34.064 20.850 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.084 32.614 20.027 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.433 34.104 19.291 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.739 33.174 20.044 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.129 34.666 19.211 1.00 0.00 H new ATOM 8 N SER A 2 4.342 33.160 17.150 1.00 0.00 N ATOM 9 CA SER A 2 4.380 32.532 15.835 1.00 0.00 C ATOM 10 C SER A 2 5.398 31.396 15.804 1.00 0.00 C ATOM 11 O SER A 2 6.593 31.613 16.008 1.00 0.00 O ATOM 12 CB SER A 2 4.721 33.567 14.761 1.00 0.00 C ATOM 13 OG SER A 2 5.036 32.940 13.530 1.00 0.00 O ATOM 0 H SER A 2 5.117 33.796 17.336 1.00 0.00 H new ATOM 0 HA SER A 2 3.393 32.118 15.630 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.878 34.244 14.623 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.565 34.173 15.090 1.00 0.00 H new ATOM 0 HG SER A 2 5.249 33.623 12.860 1.00 0.00 H new ATOM 19 N SER A 3 4.916 30.184 15.549 1.00 0.00 N ATOM 20 CA SER A 3 5.783 29.012 15.495 1.00 0.00 C ATOM 21 C SER A 3 5.131 27.891 14.692 1.00 0.00 C ATOM 22 O SER A 3 3.911 27.851 14.537 1.00 0.00 O ATOM 23 CB SER A 3 6.102 28.523 16.909 1.00 0.00 C ATOM 24 OG SER A 3 7.228 29.200 17.441 1.00 0.00 O ATOM 0 H SER A 3 3.930 29.988 15.377 1.00 0.00 H new ATOM 0 HA SER A 3 6.710 29.298 14.999 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.239 28.682 17.556 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.294 27.450 16.892 1.00 0.00 H new ATOM 0 HG SER A 3 7.257 30.114 17.089 1.00 0.00 H new ATOM 30 N GLY A 4 5.955 26.980 14.182 1.00 0.00 N ATOM 31 CA GLY A 4 5.442 25.871 13.401 1.00 0.00 C ATOM 32 C GLY A 4 6.101 25.767 12.039 1.00 0.00 C ATOM 33 O GLY A 4 6.036 26.700 11.238 1.00 0.00 O ATOM 0 H GLY A 4 6.969 26.991 14.296 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.598 24.942 13.949 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.366 25.988 13.273 1.00 0.00 H new ATOM 37 N SER A 5 6.737 24.630 11.776 1.00 0.00 N ATOM 38 CA SER A 5 7.415 24.410 10.504 1.00 0.00 C ATOM 39 C SER A 5 6.417 24.407 9.350 1.00 0.00 C ATOM 40 O SER A 5 5.207 24.327 9.561 1.00 0.00 O ATOM 41 CB SER A 5 8.182 23.087 10.533 1.00 0.00 C ATOM 42 OG SER A 5 7.295 21.985 10.609 1.00 0.00 O ATOM 0 H SER A 5 6.797 23.847 12.427 1.00 0.00 H new ATOM 0 HA SER A 5 8.120 25.227 10.350 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.798 23.001 9.638 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.858 23.074 11.388 1.00 0.00 H new ATOM 0 HG SER A 5 7.810 21.151 10.624 1.00 0.00 H new ATOM 48 N SER A 6 6.934 24.496 8.129 1.00 0.00 N ATOM 49 CA SER A 6 6.089 24.507 6.940 1.00 0.00 C ATOM 50 C SER A 6 6.718 23.685 5.819 1.00 0.00 C ATOM 51 O SER A 6 7.867 23.257 5.917 1.00 0.00 O ATOM 52 CB SER A 6 5.858 25.944 6.467 1.00 0.00 C ATOM 53 OG SER A 6 7.088 26.624 6.281 1.00 0.00 O ATOM 0 H SER A 6 7.934 24.562 7.937 1.00 0.00 H new ATOM 0 HA SER A 6 5.130 24.059 7.201 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.298 25.937 5.532 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.251 26.478 7.198 1.00 0.00 H new ATOM 0 HG SER A 6 6.913 27.539 5.977 1.00 0.00 H new ATOM 59 N GLY A 7 5.954 23.469 4.752 1.00 0.00 N ATOM 60 CA GLY A 7 6.452 22.699 3.627 1.00 0.00 C ATOM 61 C GLY A 7 7.217 21.465 4.062 1.00 0.00 C ATOM 62 O GLY A 7 8.444 21.422 3.975 1.00 0.00 O ATOM 0 H GLY A 7 5.000 23.813 4.647 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.615 22.400 2.996 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.101 23.329 3.018 1.00 0.00 H new ATOM 66 N LYS A 8 6.491 20.457 4.534 1.00 0.00 N ATOM 67 CA LYS A 8 7.108 19.215 4.986 1.00 0.00 C ATOM 68 C LYS A 8 6.841 18.084 3.998 1.00 0.00 C ATOM 69 O LYS A 8 5.690 17.727 3.744 1.00 0.00 O ATOM 70 CB LYS A 8 6.579 18.833 6.370 1.00 0.00 C ATOM 71 CG LYS A 8 7.501 17.901 7.138 1.00 0.00 C ATOM 72 CD LYS A 8 6.730 17.044 8.127 1.00 0.00 C ATOM 73 CE LYS A 8 7.542 15.837 8.570 1.00 0.00 C ATOM 74 NZ LYS A 8 7.686 14.835 7.478 1.00 0.00 N ATOM 0 H LYS A 8 5.474 20.476 4.614 1.00 0.00 H new ATOM 0 HA LYS A 8 8.185 19.374 5.047 1.00 0.00 H new ATOM 0 HB2 LYS A 8 6.425 19.740 6.954 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.605 18.356 6.259 1.00 0.00 H new ATOM 0 HG2 LYS A 8 8.036 17.259 6.438 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.251 18.487 7.670 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.462 17.643 8.997 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.798 16.709 7.671 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.530 16.163 8.896 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.060 15.371 9.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.380 13.902 7.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.097 15.117 6.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.682 14.785 7.182 1.00 0.00 H new ATOM 88 N VAL A 9 7.911 17.524 3.443 1.00 0.00 N ATOM 89 CA VAL A 9 7.792 16.431 2.485 1.00 0.00 C ATOM 90 C VAL A 9 8.305 15.123 3.076 1.00 0.00 C ATOM 91 O VAL A 9 9.438 15.047 3.553 1.00 0.00 O ATOM 92 CB VAL A 9 8.566 16.735 1.189 1.00 0.00 C ATOM 93 CG1 VAL A 9 8.430 15.584 0.203 1.00 0.00 C ATOM 94 CG2 VAL A 9 8.079 18.037 0.571 1.00 0.00 C ATOM 0 H VAL A 9 8.870 17.809 3.640 1.00 0.00 H new ATOM 0 HA VAL A 9 6.732 16.329 2.251 1.00 0.00 H new ATOM 0 HB VAL A 9 9.622 16.848 1.435 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.983 15.817 -0.707 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.831 14.674 0.649 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.378 15.436 -0.040 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.637 18.236 -0.344 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.017 17.955 0.338 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.233 18.854 1.275 1.00 0.00 H new ATOM 104 N VAL A 10 7.464 14.094 3.041 1.00 0.00 N ATOM 105 CA VAL A 10 7.833 12.787 3.572 1.00 0.00 C ATOM 106 C VAL A 10 8.394 11.887 2.476 1.00 0.00 C ATOM 107 O VAL A 10 9.463 11.296 2.630 1.00 0.00 O ATOM 108 CB VAL A 10 6.628 12.088 4.229 1.00 0.00 C ATOM 109 CG1 VAL A 10 7.057 10.777 4.872 1.00 0.00 C ATOM 110 CG2 VAL A 10 5.974 13.004 5.252 1.00 0.00 C ATOM 0 H VAL A 10 6.523 14.140 2.651 1.00 0.00 H new ATOM 0 HA VAL A 10 8.601 12.957 4.327 1.00 0.00 H new ATOM 0 HB VAL A 10 5.894 11.863 3.455 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.193 10.297 5.331 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.476 10.119 4.111 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.810 10.975 5.635 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.124 12.494 5.706 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.698 13.262 6.025 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.630 13.913 4.759 1.00 0.00 H new ATOM 120 N PHE A 11 7.666 11.788 1.370 1.00 0.00 N ATOM 121 CA PHE A 11 8.090 10.960 0.247 1.00 0.00 C ATOM 122 C PHE A 11 8.799 11.800 -0.812 1.00 0.00 C ATOM 123 O PHE A 11 8.972 13.007 -0.648 1.00 0.00 O ATOM 124 CB PHE A 11 6.885 10.248 -0.373 1.00 0.00 C ATOM 125 CG PHE A 11 6.240 9.250 0.546 1.00 0.00 C ATOM 126 CD1 PHE A 11 5.234 9.639 1.415 1.00 0.00 C ATOM 127 CD2 PHE A 11 6.640 7.924 0.540 1.00 0.00 C ATOM 128 CE1 PHE A 11 4.639 8.723 2.262 1.00 0.00 C ATOM 129 CE2 PHE A 11 6.049 7.003 1.384 1.00 0.00 C ATOM 130 CZ PHE A 11 5.046 7.403 2.246 1.00 0.00 C ATOM 0 H PHE A 11 6.779 12.271 1.227 1.00 0.00 H new ATOM 0 HA PHE A 11 8.791 10.214 0.622 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.144 10.992 -0.665 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.202 9.739 -1.283 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.911 10.669 1.431 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.423 7.606 -0.132 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.856 9.039 2.936 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.371 5.972 1.370 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.581 6.685 2.906 1.00 0.00 H new ATOM 140 N ALA A 12 9.207 11.151 -1.897 1.00 0.00 N ATOM 141 CA ALA A 12 9.896 11.837 -2.983 1.00 0.00 C ATOM 142 C ALA A 12 8.931 12.704 -3.784 1.00 0.00 C ATOM 143 O ALA A 12 7.744 12.786 -3.467 1.00 0.00 O ATOM 144 CB ALA A 12 10.582 10.829 -3.893 1.00 0.00 C ATOM 0 H ALA A 12 9.072 10.151 -2.048 1.00 0.00 H new ATOM 0 HA ALA A 12 10.652 12.489 -2.546 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.092 11.355 -4.700 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.308 10.255 -3.318 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.837 10.154 -4.315 1.00 0.00 H new ATOM 150 N LYS A 13 9.448 13.352 -4.823 1.00 0.00 N ATOM 151 CA LYS A 13 8.633 14.214 -5.670 1.00 0.00 C ATOM 152 C LYS A 13 8.402 13.574 -7.035 1.00 0.00 C ATOM 153 O LYS A 13 7.529 14.000 -7.791 1.00 0.00 O ATOM 154 CB LYS A 13 9.304 15.578 -5.842 1.00 0.00 C ATOM 155 CG LYS A 13 10.811 15.497 -6.012 1.00 0.00 C ATOM 156 CD LYS A 13 11.527 15.545 -4.672 1.00 0.00 C ATOM 157 CE LYS A 13 11.619 16.967 -4.140 1.00 0.00 C ATOM 158 NZ LYS A 13 12.544 17.805 -4.952 1.00 0.00 N ATOM 0 H LYS A 13 10.429 13.296 -5.098 1.00 0.00 H new ATOM 0 HA LYS A 13 7.667 14.350 -5.183 1.00 0.00 H new ATOM 0 HB2 LYS A 13 8.875 16.078 -6.711 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.077 16.197 -4.974 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.070 14.574 -6.531 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.152 16.322 -6.638 1.00 0.00 H new ATOM 0 HD2 LYS A 13 10.998 14.920 -3.953 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.529 15.130 -4.779 1.00 0.00 H new ATOM 0 HE2 LYS A 13 10.627 17.419 -4.138 1.00 0.00 H new ATOM 0 HE3 LYS A 13 11.962 16.946 -3.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 12.832 18.639 -4.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 13.386 17.249 -5.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 12.061 18.114 -5.820 1.00 0.00 H new ATOM 172 N GLU A 14 9.190 12.548 -7.344 1.00 0.00 N ATOM 173 CA GLU A 14 9.070 11.850 -8.618 1.00 0.00 C ATOM 174 C GLU A 14 8.276 10.557 -8.457 1.00 0.00 C ATOM 175 O GLU A 14 8.490 9.591 -9.189 1.00 0.00 O ATOM 176 CB GLU A 14 10.456 11.543 -9.189 1.00 0.00 C ATOM 177 CG GLU A 14 11.170 12.764 -9.744 1.00 0.00 C ATOM 178 CD GLU A 14 10.304 13.563 -10.699 1.00 0.00 C ATOM 179 OE1 GLU A 14 9.809 12.974 -11.683 1.00 0.00 O ATOM 180 OE2 GLU A 14 10.122 14.775 -10.463 1.00 0.00 O ATOM 0 H GLU A 14 9.918 12.183 -6.729 1.00 0.00 H new ATOM 0 HA GLU A 14 8.536 12.500 -9.311 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.071 11.097 -8.407 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.357 10.800 -9.980 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.481 13.405 -8.919 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.076 12.447 -10.260 1.00 0.00 H new ATOM 187 N GLN A 15 7.360 10.547 -7.494 1.00 0.00 N ATOM 188 CA GLN A 15 6.536 9.373 -7.236 1.00 0.00 C ATOM 189 C GLN A 15 5.108 9.592 -7.725 1.00 0.00 C ATOM 190 O GLN A 15 4.526 10.664 -7.555 1.00 0.00 O ATOM 191 CB GLN A 15 6.531 9.045 -5.742 1.00 0.00 C ATOM 192 CG GLN A 15 7.844 9.363 -5.045 1.00 0.00 C ATOM 193 CD GLN A 15 8.056 8.536 -3.792 1.00 0.00 C ATOM 194 OE1 GLN A 15 7.131 8.336 -3.004 1.00 0.00 O ATOM 195 NE2 GLN A 15 9.277 8.051 -3.602 1.00 0.00 N ATOM 0 H GLN A 15 7.170 11.339 -6.880 1.00 0.00 H new ATOM 0 HA GLN A 15 6.964 8.533 -7.784 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.728 9.602 -5.259 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.307 7.986 -5.612 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.669 9.187 -5.735 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.866 10.421 -4.785 1.00 0.00 H new ATOM 0 HE21 GLN A 15 10.013 8.242 -4.282 1.00 0.00 H new ATOM 0 HE22 GLN A 15 9.479 7.487 -2.776 1.00 0.00 H new ATOM 204 N PRO A 16 4.529 8.555 -8.347 1.00 0.00 N ATOM 205 CA PRO A 16 3.162 8.610 -8.873 1.00 0.00 C ATOM 206 C PRO A 16 2.116 8.655 -7.765 1.00 0.00 C ATOM 207 O PRO A 16 2.418 8.392 -6.602 1.00 0.00 O ATOM 208 CB PRO A 16 3.037 7.311 -9.674 1.00 0.00 C ATOM 209 CG PRO A 16 4.023 6.385 -9.049 1.00 0.00 C ATOM 210 CD PRO A 16 5.164 7.248 -8.585 1.00 0.00 C ATOM 0 HA PRO A 16 2.989 9.509 -9.464 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.026 6.908 -9.620 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.259 7.473 -10.729 1.00 0.00 H new ATOM 0 HG2 PRO A 16 3.577 5.846 -8.214 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.365 5.638 -9.765 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.623 6.854 -7.679 1.00 0.00 H new ATOM 0 HD3 PRO A 16 5.950 7.314 -9.338 1.00 0.00 H new ATOM 218 N ALA A 17 0.884 8.991 -8.134 1.00 0.00 N ATOM 219 CA ALA A 17 -0.208 9.068 -7.171 1.00 0.00 C ATOM 220 C ALA A 17 -0.900 7.719 -7.017 1.00 0.00 C ATOM 221 O ALA A 17 -1.640 7.495 -6.058 1.00 0.00 O ATOM 222 CB ALA A 17 -1.210 10.133 -7.593 1.00 0.00 C ATOM 0 H ALA A 17 0.617 9.214 -9.093 1.00 0.00 H new ATOM 0 HA ALA A 17 0.212 9.343 -6.204 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.020 10.179 -6.865 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.712 11.101 -7.644 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.617 9.882 -8.573 1.00 0.00 H new ATOM 228 N HIS A 18 -0.657 6.822 -7.967 1.00 0.00 N ATOM 229 CA HIS A 18 -1.258 5.493 -7.937 1.00 0.00 C ATOM 230 C HIS A 18 -0.383 4.484 -8.674 1.00 0.00 C ATOM 231 O HIS A 18 -0.243 4.545 -9.896 1.00 0.00 O ATOM 232 CB HIS A 18 -2.654 5.527 -8.560 1.00 0.00 C ATOM 233 CG HIS A 18 -3.446 4.278 -8.323 1.00 0.00 C ATOM 234 ND1 HIS A 18 -2.874 3.025 -8.260 1.00 0.00 N ATOM 235 CD2 HIS A 18 -4.773 4.094 -8.133 1.00 0.00 C ATOM 236 CE1 HIS A 18 -3.815 2.124 -8.042 1.00 0.00 C ATOM 237 NE2 HIS A 18 -4.977 2.747 -7.961 1.00 0.00 N ATOM 0 H HIS A 18 -0.048 6.991 -8.768 1.00 0.00 H new ATOM 0 HA HIS A 18 -1.341 5.182 -6.895 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -3.203 6.378 -8.156 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -2.560 5.690 -9.634 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -5.531 4.863 -8.119 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -3.661 1.059 -7.946 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -5.879 2.300 -7.797 1.00 0.00 H new ATOM 246 N ARG A 19 0.204 3.557 -7.924 1.00 0.00 N ATOM 247 CA ARG A 19 1.067 2.536 -8.507 1.00 0.00 C ATOM 248 C ARG A 19 0.325 1.209 -8.640 1.00 0.00 C ATOM 249 O ARG A 19 0.297 0.408 -7.706 1.00 0.00 O ATOM 250 CB ARG A 19 2.321 2.349 -7.651 1.00 0.00 C ATOM 251 CG ARG A 19 3.352 3.450 -7.832 1.00 0.00 C ATOM 252 CD ARG A 19 4.763 2.939 -7.585 1.00 0.00 C ATOM 253 NE ARG A 19 5.762 3.713 -8.316 1.00 0.00 N ATOM 254 CZ ARG A 19 7.047 3.756 -7.983 1.00 0.00 C ATOM 255 NH1 ARG A 19 7.487 3.071 -6.936 1.00 0.00 N ATOM 256 NH2 ARG A 19 7.896 4.483 -8.698 1.00 0.00 N ATOM 0 H ARG A 19 0.098 3.492 -6.912 1.00 0.00 H new ATOM 0 HA ARG A 19 1.362 2.869 -9.502 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.031 2.304 -6.601 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.779 1.391 -7.897 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.282 3.853 -8.842 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.135 4.269 -7.146 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.982 2.981 -6.518 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.827 1.892 -7.883 1.00 0.00 H new ATOM 0 HE ARG A 19 5.456 4.250 -9.127 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.838 2.510 -6.385 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.474 3.106 -6.682 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.562 5.010 -9.505 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.883 4.515 -8.441 1.00 0.00 H new ATOM 270 N GLU A 20 -0.273 0.985 -9.806 1.00 0.00 N ATOM 271 CA GLU A 20 -1.015 -0.244 -10.059 1.00 0.00 C ATOM 272 C GLU A 20 -0.067 -1.428 -10.221 1.00 0.00 C ATOM 273 O GLU A 20 0.622 -1.553 -11.234 1.00 0.00 O ATOM 274 CB GLU A 20 -1.880 -0.094 -11.312 1.00 0.00 C ATOM 275 CG GLU A 20 -2.742 1.157 -11.311 1.00 0.00 C ATOM 276 CD GLU A 20 -2.038 2.351 -11.925 1.00 0.00 C ATOM 277 OE1 GLU A 20 -1.260 2.153 -12.881 1.00 0.00 O ATOM 278 OE2 GLU A 20 -2.264 3.483 -11.449 1.00 0.00 O ATOM 0 H GLU A 20 -0.258 1.638 -10.589 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.660 -0.432 -9.201 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.234 -0.079 -12.190 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.524 -0.969 -11.405 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.662 0.960 -11.861 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.028 1.396 -10.287 1.00 0.00 H new ATOM 285 N VAL A 21 -0.036 -2.296 -9.214 1.00 0.00 N ATOM 286 CA VAL A 21 0.827 -3.471 -9.244 1.00 0.00 C ATOM 287 C VAL A 21 0.022 -4.737 -9.515 1.00 0.00 C ATOM 288 O VAL A 21 -1.112 -4.873 -9.056 1.00 0.00 O ATOM 289 CB VAL A 21 1.595 -3.638 -7.919 1.00 0.00 C ATOM 290 CG1 VAL A 21 2.438 -4.903 -7.946 1.00 0.00 C ATOM 291 CG2 VAL A 21 2.460 -2.416 -7.649 1.00 0.00 C ATOM 0 H VAL A 21 -0.599 -2.207 -8.368 1.00 0.00 H new ATOM 0 HA VAL A 21 1.542 -3.318 -10.053 1.00 0.00 H new ATOM 0 HB VAL A 21 0.872 -3.730 -7.108 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.973 -5.004 -7.002 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.791 -5.768 -8.091 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.155 -4.845 -8.765 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.996 -2.550 -6.709 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.177 -2.291 -8.461 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.828 -1.530 -7.583 1.00 0.00 H new ATOM 301 N GLN A 22 0.617 -5.662 -10.261 1.00 0.00 N ATOM 302 CA GLN A 22 -0.046 -6.918 -10.593 1.00 0.00 C ATOM 303 C GLN A 22 0.707 -8.104 -9.999 1.00 0.00 C ATOM 304 O GLN A 22 1.935 -8.096 -9.922 1.00 0.00 O ATOM 305 CB GLN A 22 -0.156 -7.076 -12.110 1.00 0.00 C ATOM 306 CG GLN A 22 -1.300 -7.976 -12.547 1.00 0.00 C ATOM 307 CD GLN A 22 -1.479 -8.003 -14.052 1.00 0.00 C ATOM 308 OE1 GLN A 22 -0.915 -7.178 -14.771 1.00 0.00 O ATOM 309 NE2 GLN A 22 -2.268 -8.955 -14.538 1.00 0.00 N ATOM 0 H GLN A 22 1.556 -5.566 -10.647 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.048 -6.895 -10.164 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.286 -6.092 -12.561 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.781 -7.481 -12.494 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -1.118 -8.989 -12.188 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.224 -7.634 -12.081 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.716 -9.618 -13.906 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.426 -9.023 -15.543 1.00 0.00 H new ATOM 318 N ALA A 23 -0.038 -9.122 -9.581 1.00 0.00 N ATOM 319 CA ALA A 23 0.559 -10.316 -8.996 1.00 0.00 C ATOM 320 C ALA A 23 -0.253 -11.560 -9.338 1.00 0.00 C ATOM 321 O ALA A 23 -1.431 -11.468 -9.682 1.00 0.00 O ATOM 322 CB ALA A 23 0.679 -10.161 -7.487 1.00 0.00 C ATOM 0 H ALA A 23 -1.056 -9.144 -9.637 1.00 0.00 H new ATOM 0 HA ALA A 23 1.556 -10.437 -9.419 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.126 -11.060 -7.063 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.308 -9.300 -7.258 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.311 -10.011 -7.057 1.00 0.00 H new ATOM 328 N GLU A 24 0.385 -12.723 -9.243 1.00 0.00 N ATOM 329 CA GLU A 24 -0.279 -13.985 -9.545 1.00 0.00 C ATOM 330 C GLU A 24 -0.757 -14.668 -8.267 1.00 0.00 C ATOM 331 O GLU A 24 -0.184 -14.473 -7.195 1.00 0.00 O ATOM 332 CB GLU A 24 0.666 -14.914 -10.310 1.00 0.00 C ATOM 333 CG GLU A 24 1.009 -14.420 -11.705 1.00 0.00 C ATOM 334 CD GLU A 24 1.608 -15.505 -12.578 1.00 0.00 C ATOM 335 OE1 GLU A 24 0.839 -16.333 -13.109 1.00 0.00 O ATOM 336 OE2 GLU A 24 2.848 -15.526 -12.730 1.00 0.00 O ATOM 0 H GLU A 24 1.360 -12.817 -8.959 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.147 -13.769 -10.168 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.587 -15.032 -9.739 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.209 -15.901 -10.385 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.108 -14.032 -12.181 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.712 -13.590 -11.630 1.00 0.00 H new ATOM 343 N ALA A 25 -1.811 -15.468 -8.389 1.00 0.00 N ATOM 344 CA ALA A 25 -2.365 -16.181 -7.244 1.00 0.00 C ATOM 345 C ALA A 25 -1.329 -17.111 -6.622 1.00 0.00 C ATOM 346 O ALA A 25 -0.811 -18.009 -7.284 1.00 0.00 O ATOM 347 CB ALA A 25 -3.600 -16.966 -7.660 1.00 0.00 C ATOM 0 H ALA A 25 -2.298 -15.639 -9.269 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.651 -15.445 -6.492 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.004 -17.494 -6.796 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.352 -16.281 -8.051 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.330 -17.687 -8.432 1.00 0.00 H new ATOM 353 N GLY A 26 -1.032 -16.889 -5.346 1.00 0.00 N ATOM 354 CA GLY A 26 -0.058 -17.715 -4.656 1.00 0.00 C ATOM 355 C GLY A 26 1.347 -17.152 -4.745 1.00 0.00 C ATOM 356 O GLY A 26 2.269 -17.663 -4.110 1.00 0.00 O ATOM 0 H GLY A 26 -1.448 -16.152 -4.777 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.343 -17.809 -3.608 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.071 -18.719 -5.081 1.00 0.00 H new ATOM 360 N ALA A 27 1.511 -16.097 -5.536 1.00 0.00 N ATOM 361 CA ALA A 27 2.813 -15.464 -5.705 1.00 0.00 C ATOM 362 C ALA A 27 3.098 -14.483 -4.572 1.00 0.00 C ATOM 363 O ALA A 27 2.256 -14.264 -3.702 1.00 0.00 O ATOM 364 CB ALA A 27 2.885 -14.755 -7.050 1.00 0.00 C ATOM 0 H ALA A 27 0.758 -15.663 -6.070 1.00 0.00 H new ATOM 0 HA ALA A 27 3.575 -16.243 -5.676 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.863 -14.287 -7.163 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.735 -15.479 -7.851 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.109 -13.991 -7.101 1.00 0.00 H new ATOM 370 N SER A 28 4.290 -13.896 -4.590 1.00 0.00 N ATOM 371 CA SER A 28 4.688 -12.942 -3.561 1.00 0.00 C ATOM 372 C SER A 28 4.826 -11.540 -4.146 1.00 0.00 C ATOM 373 O SER A 28 5.773 -11.250 -4.876 1.00 0.00 O ATOM 374 CB SER A 28 6.008 -13.372 -2.920 1.00 0.00 C ATOM 375 OG SER A 28 6.267 -12.631 -1.740 1.00 0.00 O ATOM 0 H SER A 28 4.997 -14.064 -5.306 1.00 0.00 H new ATOM 0 HA SER A 28 3.911 -12.924 -2.797 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.972 -14.436 -2.685 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.824 -13.230 -3.629 1.00 0.00 H new ATOM 0 HG SER A 28 7.116 -12.926 -1.348 1.00 0.00 H new ATOM 381 N ALA A 29 3.874 -10.672 -3.818 1.00 0.00 N ATOM 382 CA ALA A 29 3.889 -9.300 -4.308 1.00 0.00 C ATOM 383 C ALA A 29 4.956 -8.475 -3.596 1.00 0.00 C ATOM 384 O ALA A 29 5.517 -8.903 -2.587 1.00 0.00 O ATOM 385 CB ALA A 29 2.520 -8.661 -4.131 1.00 0.00 C ATOM 0 H ALA A 29 3.083 -10.896 -3.215 1.00 0.00 H new ATOM 0 HA ALA A 29 4.132 -9.322 -5.370 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.546 -7.636 -4.501 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.778 -9.230 -4.691 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.254 -8.658 -3.074 1.00 0.00 H new ATOM 391 N THR A 30 5.234 -7.289 -4.129 1.00 0.00 N ATOM 392 CA THR A 30 6.235 -6.405 -3.546 1.00 0.00 C ATOM 393 C THR A 30 5.976 -4.952 -3.928 1.00 0.00 C ATOM 394 O THR A 30 6.122 -4.570 -5.090 1.00 0.00 O ATOM 395 CB THR A 30 7.657 -6.795 -3.991 1.00 0.00 C ATOM 396 OG1 THR A 30 7.908 -8.170 -3.679 1.00 0.00 O ATOM 397 CG2 THR A 30 8.697 -5.917 -3.311 1.00 0.00 C ATOM 0 H THR A 30 4.779 -6.919 -4.964 1.00 0.00 H new ATOM 0 HA THR A 30 6.159 -6.512 -2.464 1.00 0.00 H new ATOM 0 HB THR A 30 7.730 -6.648 -5.069 1.00 0.00 H new ATOM 0 HG1 THR A 30 8.813 -8.411 -3.966 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.693 -6.211 -3.641 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.521 -4.874 -3.574 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.623 -6.036 -2.230 1.00 0.00 H new ATOM 405 N LEU A 31 5.591 -4.146 -2.945 1.00 0.00 N ATOM 406 CA LEU A 31 5.312 -2.733 -3.179 1.00 0.00 C ATOM 407 C LEU A 31 6.433 -1.858 -2.628 1.00 0.00 C ATOM 408 O LEU A 31 6.481 -1.573 -1.431 1.00 0.00 O ATOM 409 CB LEU A 31 3.981 -2.343 -2.534 1.00 0.00 C ATOM 410 CG LEU A 31 2.873 -3.394 -2.593 1.00 0.00 C ATOM 411 CD1 LEU A 31 1.637 -2.910 -1.850 1.00 0.00 C ATOM 412 CD2 LEU A 31 2.531 -3.729 -4.038 1.00 0.00 C ATOM 0 H LEU A 31 5.465 -4.446 -1.978 1.00 0.00 H new ATOM 0 HA LEU A 31 5.248 -2.574 -4.255 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.165 -2.097 -1.488 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.619 -1.435 -3.016 1.00 0.00 H new ATOM 0 HG LEU A 31 3.233 -4.300 -2.106 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.859 -3.672 -1.903 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.890 -2.722 -0.807 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.275 -1.989 -2.307 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.740 -4.479 -4.060 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.192 -2.828 -4.550 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.416 -4.120 -4.540 1.00 0.00 H new ATOM 424 N SER A 32 7.333 -1.433 -3.509 1.00 0.00 N ATOM 425 CA SER A 32 8.455 -0.592 -3.110 1.00 0.00 C ATOM 426 C SER A 32 8.118 0.885 -3.293 1.00 0.00 C ATOM 427 O SER A 32 7.340 1.251 -4.174 1.00 0.00 O ATOM 428 CB SER A 32 9.701 -0.947 -3.924 1.00 0.00 C ATOM 429 OG SER A 32 10.749 -0.024 -3.682 1.00 0.00 O ATOM 0 H SER A 32 7.307 -1.657 -4.504 1.00 0.00 H new ATOM 0 HA SER A 32 8.656 -0.773 -2.054 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.032 -1.953 -3.667 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.456 -0.953 -4.986 1.00 0.00 H new ATOM 0 HG SER A 32 11.534 -0.274 -4.213 1.00 0.00 H new ATOM 435 N CYS A 33 8.710 1.728 -2.454 1.00 0.00 N ATOM 436 CA CYS A 33 8.472 3.166 -2.521 1.00 0.00 C ATOM 437 C CYS A 33 9.587 3.934 -1.818 1.00 0.00 C ATOM 438 O CYS A 33 9.968 3.605 -0.695 1.00 0.00 O ATOM 439 CB CYS A 33 7.123 3.511 -1.890 1.00 0.00 C ATOM 440 SG CYS A 33 6.818 2.695 -0.305 1.00 0.00 S ATOM 0 H CYS A 33 9.358 1.441 -1.720 1.00 0.00 H new ATOM 0 HA CYS A 33 8.459 3.459 -3.571 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.066 4.590 -1.748 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.329 3.239 -2.585 1.00 0.00 H new ATOM 0 HG CYS A 33 7.558 1.630 -0.216 1.00 0.00 H new ATOM 446 N GLU A 34 10.107 4.958 -2.489 1.00 0.00 N ATOM 447 CA GLU A 34 11.180 5.771 -1.929 1.00 0.00 C ATOM 448 C GLU A 34 10.641 6.730 -0.872 1.00 0.00 C ATOM 449 O GLU A 34 9.438 6.982 -0.801 1.00 0.00 O ATOM 450 CB GLU A 34 11.885 6.557 -3.036 1.00 0.00 C ATOM 451 CG GLU A 34 13.004 5.785 -3.713 1.00 0.00 C ATOM 452 CD GLU A 34 13.997 6.692 -4.414 1.00 0.00 C ATOM 453 OE1 GLU A 34 13.609 7.343 -5.406 1.00 0.00 O ATOM 454 OE2 GLU A 34 15.163 6.750 -3.970 1.00 0.00 O ATOM 0 H GLU A 34 9.803 5.243 -3.420 1.00 0.00 H new ATOM 0 HA GLU A 34 11.898 5.102 -1.455 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.151 6.849 -3.787 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.292 7.476 -2.614 1.00 0.00 H new ATOM 0 HG2 GLU A 34 13.528 5.185 -2.969 1.00 0.00 H new ATOM 0 HG3 GLU A 34 12.576 5.092 -4.438 1.00 0.00 H new ATOM 461 N VAL A 35 11.540 7.263 -0.051 1.00 0.00 N ATOM 462 CA VAL A 35 11.156 8.196 1.002 1.00 0.00 C ATOM 463 C VAL A 35 12.137 9.360 1.090 1.00 0.00 C ATOM 464 O VAL A 35 13.350 9.171 1.008 1.00 0.00 O ATOM 465 CB VAL A 35 11.084 7.496 2.372 1.00 0.00 C ATOM 466 CG1 VAL A 35 9.826 6.646 2.473 1.00 0.00 C ATOM 467 CG2 VAL A 35 12.328 6.651 2.605 1.00 0.00 C ATOM 0 H VAL A 35 12.540 7.065 -0.095 1.00 0.00 H new ATOM 0 HA VAL A 35 10.168 8.576 0.743 1.00 0.00 H new ATOM 0 HB VAL A 35 11.041 8.260 3.148 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.793 6.159 3.448 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.948 7.280 2.354 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.835 5.888 1.689 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.260 6.164 3.578 1.00 0.00 H new ATOM 0 HG22 VAL A 35 12.405 5.894 1.825 1.00 0.00 H new ATOM 0 HG23 VAL A 35 13.211 7.289 2.580 1.00 0.00 H new ATOM 477 N ALA A 36 11.602 10.565 1.257 1.00 0.00 N ATOM 478 CA ALA A 36 12.429 11.761 1.358 1.00 0.00 C ATOM 479 C ALA A 36 13.409 11.653 2.521 1.00 0.00 C ATOM 480 O ALA A 36 14.438 12.329 2.542 1.00 0.00 O ATOM 481 CB ALA A 36 11.555 12.996 1.513 1.00 0.00 C ATOM 0 H ALA A 36 10.599 10.739 1.325 1.00 0.00 H new ATOM 0 HA ALA A 36 13.006 11.853 0.438 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.186 13.881 1.587 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.900 13.089 0.647 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.952 12.904 2.416 1.00 0.00 H new ATOM 487 N GLN A 37 13.082 10.802 3.488 1.00 0.00 N ATOM 488 CA GLN A 37 13.934 10.608 4.655 1.00 0.00 C ATOM 489 C GLN A 37 13.877 9.162 5.137 1.00 0.00 C ATOM 490 O GLN A 37 12.816 8.538 5.135 1.00 0.00 O ATOM 491 CB GLN A 37 13.510 11.551 5.783 1.00 0.00 C ATOM 492 CG GLN A 37 13.615 13.022 5.417 1.00 0.00 C ATOM 493 CD GLN A 37 13.074 13.933 6.502 1.00 0.00 C ATOM 494 OE1 GLN A 37 13.835 14.553 7.245 1.00 0.00 O ATOM 495 NE2 GLN A 37 11.752 14.020 6.598 1.00 0.00 N ATOM 0 H GLN A 37 12.233 10.236 3.486 1.00 0.00 H new ATOM 0 HA GLN A 37 14.960 10.835 4.366 1.00 0.00 H new ATOM 0 HB2 GLN A 37 12.481 11.328 6.065 1.00 0.00 H new ATOM 0 HB3 GLN A 37 14.129 11.358 6.659 1.00 0.00 H new ATOM 0 HG2 GLN A 37 14.659 13.271 5.225 1.00 0.00 H new ATOM 0 HG3 GLN A 37 13.069 13.202 4.491 1.00 0.00 H new ATOM 0 HE21 GLN A 37 11.158 13.488 5.961 1.00 0.00 H new ATOM 0 HE22 GLN A 37 11.331 14.618 7.308 1.00 0.00 H new ATOM 504 N ALA A 38 15.025 8.635 5.549 1.00 0.00 N ATOM 505 CA ALA A 38 15.105 7.263 6.034 1.00 0.00 C ATOM 506 C ALA A 38 14.548 7.148 7.449 1.00 0.00 C ATOM 507 O ALA A 38 13.581 6.426 7.688 1.00 0.00 O ATOM 508 CB ALA A 38 16.544 6.771 5.990 1.00 0.00 C ATOM 0 H ALA A 38 15.913 9.138 5.557 1.00 0.00 H new ATOM 0 HA ALA A 38 14.498 6.637 5.380 1.00 0.00 H new ATOM 0 HB1 ALA A 38 16.589 5.745 6.355 1.00 0.00 H new ATOM 0 HB2 ALA A 38 16.910 6.807 4.964 1.00 0.00 H new ATOM 0 HB3 ALA A 38 17.166 7.408 6.620 1.00 0.00 H new ATOM 514 N GLN A 39 15.166 7.865 8.383 1.00 0.00 N ATOM 515 CA GLN A 39 14.731 7.841 9.775 1.00 0.00 C ATOM 516 C GLN A 39 13.210 7.789 9.869 1.00 0.00 C ATOM 517 O GLN A 39 12.653 7.148 10.762 1.00 0.00 O ATOM 518 CB GLN A 39 15.258 9.071 10.517 1.00 0.00 C ATOM 519 CG GLN A 39 14.796 10.388 9.916 1.00 0.00 C ATOM 520 CD GLN A 39 15.507 11.585 10.517 1.00 0.00 C ATOM 521 OE1 GLN A 39 15.526 11.762 11.736 1.00 0.00 O ATOM 522 NE2 GLN A 39 16.096 12.415 9.664 1.00 0.00 N ATOM 0 H GLN A 39 15.968 8.469 8.201 1.00 0.00 H new ATOM 0 HA GLN A 39 15.136 6.943 10.241 1.00 0.00 H new ATOM 0 HB2 GLN A 39 14.936 9.023 11.557 1.00 0.00 H new ATOM 0 HB3 GLN A 39 16.348 9.045 10.519 1.00 0.00 H new ATOM 0 HG2 GLN A 39 14.967 10.372 8.840 1.00 0.00 H new ATOM 0 HG3 GLN A 39 13.722 10.495 10.067 1.00 0.00 H new ATOM 0 HE21 GLN A 39 16.055 12.230 8.662 1.00 0.00 H new ATOM 0 HE22 GLN A 39 16.589 13.238 10.011 1.00 0.00 H new ATOM 531 N THR A 40 12.541 8.469 8.943 1.00 0.00 N ATOM 532 CA THR A 40 11.084 8.502 8.923 1.00 0.00 C ATOM 533 C THR A 40 10.503 7.095 8.824 1.00 0.00 C ATOM 534 O THR A 40 11.041 6.241 8.119 1.00 0.00 O ATOM 535 CB THR A 40 10.557 9.346 7.747 1.00 0.00 C ATOM 536 OG1 THR A 40 10.874 10.727 7.956 1.00 0.00 O ATOM 537 CG2 THR A 40 9.052 9.183 7.595 1.00 0.00 C ATOM 0 H THR A 40 12.985 9.004 8.197 1.00 0.00 H new ATOM 0 HA THR A 40 10.766 8.959 9.860 1.00 0.00 H new ATOM 0 HB THR A 40 11.038 8.997 6.833 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.538 11.257 7.204 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.703 9.788 6.758 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.817 8.135 7.408 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.557 9.508 8.510 1.00 0.00 H new ATOM 545 N GLU A 41 9.403 6.863 9.532 1.00 0.00 N ATOM 546 CA GLU A 41 8.751 5.559 9.523 1.00 0.00 C ATOM 547 C GLU A 41 7.489 5.588 8.666 1.00 0.00 C ATOM 548 O GLU A 41 6.871 6.638 8.485 1.00 0.00 O ATOM 549 CB GLU A 41 8.402 5.128 10.949 1.00 0.00 C ATOM 550 CG GLU A 41 9.535 4.408 11.662 1.00 0.00 C ATOM 551 CD GLU A 41 9.082 3.732 12.941 1.00 0.00 C ATOM 552 OE1 GLU A 41 8.350 4.373 13.724 1.00 0.00 O ATOM 553 OE2 GLU A 41 9.461 2.562 13.161 1.00 0.00 O ATOM 0 H GLU A 41 8.945 7.560 10.119 1.00 0.00 H new ATOM 0 HA GLU A 41 9.446 4.837 9.093 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.121 6.008 11.527 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.530 4.475 10.919 1.00 0.00 H new ATOM 0 HG2 GLU A 41 9.964 3.662 10.993 1.00 0.00 H new ATOM 0 HG3 GLU A 41 10.326 5.122 11.893 1.00 0.00 H new ATOM 560 N VAL A 42 7.111 4.427 8.139 1.00 0.00 N ATOM 561 CA VAL A 42 5.923 4.319 7.301 1.00 0.00 C ATOM 562 C VAL A 42 5.003 3.208 7.793 1.00 0.00 C ATOM 563 O VAL A 42 5.441 2.277 8.471 1.00 0.00 O ATOM 564 CB VAL A 42 6.296 4.048 5.831 1.00 0.00 C ATOM 565 CG1 VAL A 42 7.483 4.903 5.414 1.00 0.00 C ATOM 566 CG2 VAL A 42 6.592 2.570 5.621 1.00 0.00 C ATOM 0 H VAL A 42 7.611 3.549 8.278 1.00 0.00 H new ATOM 0 HA VAL A 42 5.402 5.274 7.366 1.00 0.00 H new ATOM 0 HB VAL A 42 5.447 4.318 5.203 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.732 4.697 4.373 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.229 5.957 5.525 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.340 4.668 6.045 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.854 2.396 4.577 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.424 2.271 6.258 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.710 1.982 5.877 1.00 0.00 H new ATOM 576 N THR A 43 3.723 3.310 7.448 1.00 0.00 N ATOM 577 CA THR A 43 2.740 2.314 7.856 1.00 0.00 C ATOM 578 C THR A 43 1.766 2.008 6.724 1.00 0.00 C ATOM 579 O THR A 43 1.021 2.881 6.280 1.00 0.00 O ATOM 580 CB THR A 43 1.944 2.783 9.089 1.00 0.00 C ATOM 581 OG1 THR A 43 2.833 3.005 10.190 1.00 0.00 O ATOM 582 CG2 THR A 43 0.894 1.753 9.479 1.00 0.00 C ATOM 0 H THR A 43 3.343 4.072 6.887 1.00 0.00 H new ATOM 0 HA THR A 43 3.293 1.410 8.111 1.00 0.00 H new ATOM 0 HB THR A 43 1.439 3.715 8.836 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.320 3.304 10.969 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.345 2.106 10.352 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.202 1.607 8.650 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.382 0.807 9.715 1.00 0.00 H new ATOM 590 N TRP A 44 1.777 0.763 6.261 1.00 0.00 N ATOM 591 CA TRP A 44 0.894 0.341 5.180 1.00 0.00 C ATOM 592 C TRP A 44 -0.545 0.217 5.670 1.00 0.00 C ATOM 593 O TRP A 44 -0.789 -0.126 6.827 1.00 0.00 O ATOM 594 CB TRP A 44 1.365 -0.993 4.600 1.00 0.00 C ATOM 595 CG TRP A 44 2.733 -0.926 3.991 1.00 0.00 C ATOM 596 CD1 TRP A 44 3.926 -1.088 4.635 1.00 0.00 C ATOM 597 CD2 TRP A 44 3.048 -0.677 2.616 1.00 0.00 C ATOM 598 NE1 TRP A 44 4.963 -0.954 3.745 1.00 0.00 N ATOM 599 CE2 TRP A 44 4.451 -0.703 2.499 1.00 0.00 C ATOM 600 CE3 TRP A 44 2.281 -0.437 1.473 1.00 0.00 C ATOM 601 CZ2 TRP A 44 5.100 -0.497 1.285 1.00 0.00 C ATOM 602 CZ3 TRP A 44 2.927 -0.232 0.269 1.00 0.00 C ATOM 603 CH2 TRP A 44 4.325 -0.264 0.182 1.00 0.00 C ATOM 0 H TRP A 44 2.388 0.028 6.618 1.00 0.00 H new ATOM 0 HA TRP A 44 0.928 1.100 4.399 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.363 -1.745 5.389 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.654 -1.323 3.843 1.00 0.00 H new ATOM 0 HD1 TRP A 44 4.038 -1.292 5.690 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.954 -1.029 3.974 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.203 -0.412 1.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 6.178 -0.520 1.216 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.344 -0.044 -0.621 1.00 0.00 H new ATOM 0 HH2 TRP A 44 4.800 -0.102 -0.774 1.00 0.00 H new ATOM 614 N TYR A 45 -1.493 0.498 4.783 1.00 0.00 N ATOM 615 CA TYR A 45 -2.908 0.419 5.127 1.00 0.00 C ATOM 616 C TYR A 45 -3.712 -0.203 3.989 1.00 0.00 C ATOM 617 O TYR A 45 -3.770 0.339 2.885 1.00 0.00 O ATOM 618 CB TYR A 45 -3.454 1.811 5.450 1.00 0.00 C ATOM 619 CG TYR A 45 -2.965 2.362 6.770 1.00 0.00 C ATOM 620 CD1 TYR A 45 -3.633 2.077 7.955 1.00 0.00 C ATOM 621 CD2 TYR A 45 -1.835 3.168 6.833 1.00 0.00 C ATOM 622 CE1 TYR A 45 -3.190 2.579 9.164 1.00 0.00 C ATOM 623 CE2 TYR A 45 -1.383 3.673 8.038 1.00 0.00 C ATOM 624 CZ TYR A 45 -2.064 3.376 9.200 1.00 0.00 C ATOM 625 OH TYR A 45 -1.619 3.878 10.401 1.00 0.00 O ATOM 0 H TYR A 45 -1.308 0.782 3.821 1.00 0.00 H new ATOM 0 HA TYR A 45 -3.007 -0.217 6.007 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -3.171 2.497 4.652 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.543 1.771 5.464 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -4.514 1.452 7.931 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.300 3.404 5.925 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.722 2.349 10.075 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -0.502 4.296 8.069 1.00 0.00 H new ATOM 0 HH TYR A 45 -0.815 4.418 10.252 1.00 0.00 H new ATOM 635 N LYS A 46 -4.331 -1.345 4.266 1.00 0.00 N ATOM 636 CA LYS A 46 -5.134 -2.042 3.269 1.00 0.00 C ATOM 637 C LYS A 46 -6.617 -1.741 3.456 1.00 0.00 C ATOM 638 O LYS A 46 -7.211 -2.103 4.472 1.00 0.00 O ATOM 639 CB LYS A 46 -4.894 -3.552 3.356 1.00 0.00 C ATOM 640 CG LYS A 46 -5.271 -4.301 2.090 1.00 0.00 C ATOM 641 CD LYS A 46 -5.203 -5.806 2.291 1.00 0.00 C ATOM 642 CE LYS A 46 -6.172 -6.535 1.373 1.00 0.00 C ATOM 643 NZ LYS A 46 -7.515 -6.692 1.997 1.00 0.00 N ATOM 0 H LYS A 46 -4.292 -1.808 5.174 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.832 -1.688 2.284 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.842 -3.732 3.575 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -5.467 -3.955 4.191 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.279 -4.019 1.786 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.601 -4.010 1.281 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.188 -6.154 2.100 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.433 -6.046 3.329 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.269 -5.985 0.437 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.769 -7.517 1.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.892 -7.636 1.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.433 -6.585 3.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.159 -5.965 1.623 1.00 0.00 H new ATOM 657 N ASP A 47 -7.210 -1.077 2.470 1.00 0.00 N ATOM 658 CA ASP A 47 -8.625 -0.729 2.525 1.00 0.00 C ATOM 659 C ASP A 47 -8.930 0.113 3.761 1.00 0.00 C ATOM 660 O ASP A 47 -10.027 0.048 4.314 1.00 0.00 O ATOM 661 CB ASP A 47 -9.484 -1.995 2.531 1.00 0.00 C ATOM 662 CG ASP A 47 -10.901 -1.735 2.060 1.00 0.00 C ATOM 663 OD1 ASP A 47 -11.592 -0.904 2.687 1.00 0.00 O ATOM 664 OD2 ASP A 47 -11.320 -2.362 1.065 1.00 0.00 O ATOM 0 H ASP A 47 -6.733 -0.769 1.623 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.864 -0.141 1.639 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -9.023 -2.746 1.890 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -9.509 -2.409 3.539 1.00 0.00 H new ATOM 669 N GLY A 48 -7.950 0.903 4.189 1.00 0.00 N ATOM 670 CA GLY A 48 -8.133 1.745 5.357 1.00 0.00 C ATOM 671 C GLY A 48 -7.933 0.988 6.654 1.00 0.00 C ATOM 672 O GLY A 48 -8.455 1.380 7.698 1.00 0.00 O ATOM 0 H GLY A 48 -7.033 0.975 3.748 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -7.431 2.578 5.314 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.136 2.172 5.340 1.00 0.00 H new ATOM 676 N LYS A 49 -7.175 -0.102 6.591 1.00 0.00 N ATOM 677 CA LYS A 49 -6.907 -0.917 7.770 1.00 0.00 C ATOM 678 C LYS A 49 -5.407 -1.022 8.029 1.00 0.00 C ATOM 679 O LYS A 49 -4.639 -1.397 7.143 1.00 0.00 O ATOM 680 CB LYS A 49 -7.504 -2.315 7.595 1.00 0.00 C ATOM 681 CG LYS A 49 -9.023 -2.331 7.591 1.00 0.00 C ATOM 682 CD LYS A 49 -9.582 -2.513 8.992 1.00 0.00 C ATOM 683 CE LYS A 49 -9.804 -1.175 9.682 1.00 0.00 C ATOM 684 NZ LYS A 49 -10.519 -0.209 8.802 1.00 0.00 N ATOM 0 H LYS A 49 -6.735 -0.441 5.735 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.373 -0.434 8.629 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.142 -2.741 6.659 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.144 -2.958 8.398 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.397 -1.399 7.167 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.378 -3.137 6.949 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -10.525 -3.058 8.941 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.895 -3.119 9.583 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.379 -1.328 10.595 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.843 -0.755 9.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.163 0.373 9.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -9.827 0.406 8.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.067 -0.730 8.088 1.00 0.00 H new ATOM 698 N LYS A 50 -4.998 -0.691 9.249 1.00 0.00 N ATOM 699 CA LYS A 50 -3.590 -0.751 9.626 1.00 0.00 C ATOM 700 C LYS A 50 -3.022 -2.146 9.387 1.00 0.00 C ATOM 701 O LYS A 50 -3.400 -3.105 10.060 1.00 0.00 O ATOM 702 CB LYS A 50 -3.419 -0.363 11.097 1.00 0.00 C ATOM 703 CG LYS A 50 -1.974 -0.118 11.496 1.00 0.00 C ATOM 704 CD LYS A 50 -1.879 0.592 12.836 1.00 0.00 C ATOM 705 CE LYS A 50 -0.576 1.365 12.967 1.00 0.00 C ATOM 706 NZ LYS A 50 -0.284 1.726 14.381 1.00 0.00 N ATOM 0 H LYS A 50 -5.621 -0.378 9.994 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.042 -0.044 9.004 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.000 0.537 11.297 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.831 -1.154 11.723 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.444 -1.069 11.548 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.480 0.480 10.730 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.721 1.275 12.947 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.952 -0.138 13.642 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.243 0.766 12.569 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.630 2.272 12.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.612 2.252 14.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.053 2.319 14.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.207 0.860 14.952 1.00 0.00 H new ATOM 720 N LEU A 51 -2.110 -2.251 8.426 1.00 0.00 N ATOM 721 CA LEU A 51 -1.487 -3.529 8.100 1.00 0.00 C ATOM 722 C LEU A 51 -0.427 -3.898 9.133 1.00 0.00 C ATOM 723 O LEU A 51 0.323 -3.042 9.600 1.00 0.00 O ATOM 724 CB LEU A 51 -0.859 -3.472 6.706 1.00 0.00 C ATOM 725 CG LEU A 51 -1.817 -3.668 5.530 1.00 0.00 C ATOM 726 CD1 LEU A 51 -1.192 -3.155 4.242 1.00 0.00 C ATOM 727 CD2 LEU A 51 -2.199 -5.135 5.392 1.00 0.00 C ATOM 0 H LEU A 51 -1.786 -1.467 7.860 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.262 -4.296 8.112 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.366 -2.507 6.590 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.083 -4.235 6.648 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.723 -3.094 5.724 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.888 -3.303 3.416 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.969 -2.093 4.343 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.270 -3.701 4.042 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.881 -5.256 4.550 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.302 -5.730 5.220 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.688 -5.471 6.306 1.00 0.00 H new ATOM 739 N SER A 52 -0.370 -5.179 9.483 1.00 0.00 N ATOM 740 CA SER A 52 0.597 -5.662 10.461 1.00 0.00 C ATOM 741 C SER A 52 1.531 -6.695 9.838 1.00 0.00 C ATOM 742 O SER A 52 1.111 -7.517 9.024 1.00 0.00 O ATOM 743 CB SER A 52 -0.124 -6.271 11.665 1.00 0.00 C ATOM 744 OG SER A 52 0.662 -6.163 12.839 1.00 0.00 O ATOM 0 H SER A 52 -0.982 -5.901 9.104 1.00 0.00 H new ATOM 0 HA SER A 52 1.193 -4.813 10.795 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.078 -5.766 11.815 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.346 -7.320 11.468 1.00 0.00 H new ATOM 0 HG SER A 52 0.178 -6.558 13.594 1.00 0.00 H new ATOM 750 N SER A 53 2.802 -6.645 10.226 1.00 0.00 N ATOM 751 CA SER A 53 3.798 -7.573 9.704 1.00 0.00 C ATOM 752 C SER A 53 3.587 -8.973 10.271 1.00 0.00 C ATOM 753 O SER A 53 3.812 -9.215 11.457 1.00 0.00 O ATOM 754 CB SER A 53 5.208 -7.082 10.038 1.00 0.00 C ATOM 755 OG SER A 53 5.446 -7.128 11.434 1.00 0.00 O ATOM 0 H SER A 53 3.166 -5.971 10.900 1.00 0.00 H new ATOM 0 HA SER A 53 3.684 -7.618 8.621 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.943 -7.698 9.520 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.336 -6.061 9.677 1.00 0.00 H new ATOM 0 HG SER A 53 4.965 -7.888 11.823 1.00 0.00 H new ATOM 761 N SER A 54 3.151 -9.892 9.416 1.00 0.00 N ATOM 762 CA SER A 54 2.905 -11.268 9.831 1.00 0.00 C ATOM 763 C SER A 54 3.481 -12.253 8.818 1.00 0.00 C ATOM 764 O SER A 54 3.866 -11.870 7.713 1.00 0.00 O ATOM 765 CB SER A 54 1.404 -11.511 10.000 1.00 0.00 C ATOM 766 OG SER A 54 0.916 -10.888 11.175 1.00 0.00 O ATOM 0 H SER A 54 2.961 -9.709 8.431 1.00 0.00 H new ATOM 0 HA SER A 54 3.402 -11.427 10.788 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.870 -11.125 9.132 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.209 -12.582 10.045 1.00 0.00 H new ATOM 0 HG SER A 54 -0.046 -11.057 11.259 1.00 0.00 H new ATOM 772 N SER A 55 3.536 -13.524 9.203 1.00 0.00 N ATOM 773 CA SER A 55 4.068 -14.564 8.331 1.00 0.00 C ATOM 774 C SER A 55 3.626 -14.342 6.888 1.00 0.00 C ATOM 775 O SER A 55 4.310 -14.746 5.947 1.00 0.00 O ATOM 776 CB SER A 55 3.610 -15.944 8.809 1.00 0.00 C ATOM 777 OG SER A 55 2.196 -16.036 8.821 1.00 0.00 O ATOM 0 H SER A 55 3.219 -13.858 10.113 1.00 0.00 H new ATOM 0 HA SER A 55 5.156 -14.515 8.371 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.022 -16.714 8.156 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.998 -16.133 9.810 1.00 0.00 H new ATOM 0 HG SER A 55 1.929 -16.927 9.128 1.00 0.00 H new ATOM 783 N LYS A 56 2.478 -13.695 6.720 1.00 0.00 N ATOM 784 CA LYS A 56 1.942 -13.416 5.393 1.00 0.00 C ATOM 785 C LYS A 56 2.564 -12.150 4.811 1.00 0.00 C ATOM 786 O LYS A 56 3.250 -12.197 3.790 1.00 0.00 O ATOM 787 CB LYS A 56 0.421 -13.267 5.455 1.00 0.00 C ATOM 788 CG LYS A 56 -0.257 -13.377 4.100 1.00 0.00 C ATOM 789 CD LYS A 56 -1.714 -13.785 4.236 1.00 0.00 C ATOM 790 CE LYS A 56 -1.870 -15.298 4.246 1.00 0.00 C ATOM 791 NZ LYS A 56 -3.301 -15.709 4.243 1.00 0.00 N ATOM 0 H LYS A 56 1.900 -13.353 7.488 1.00 0.00 H new ATOM 0 HA LYS A 56 2.192 -14.255 4.744 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.016 -14.032 6.118 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.177 -12.301 5.897 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.193 -12.420 3.582 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.270 -14.108 3.487 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.125 -13.370 5.156 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.289 -13.364 3.411 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.369 -15.720 3.375 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -1.376 -15.708 5.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -3.364 -16.747 4.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.773 -15.328 5.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.766 -15.340 3.389 1.00 0.00 H new ATOM 805 N VAL A 57 2.320 -11.020 5.467 1.00 0.00 N ATOM 806 CA VAL A 57 2.858 -9.743 5.016 1.00 0.00 C ATOM 807 C VAL A 57 4.104 -9.360 5.808 1.00 0.00 C ATOM 808 O VAL A 57 4.150 -9.522 7.028 1.00 0.00 O ATOM 809 CB VAL A 57 1.815 -8.617 5.147 1.00 0.00 C ATOM 810 CG1 VAL A 57 2.353 -7.320 4.562 1.00 0.00 C ATOM 811 CG2 VAL A 57 0.513 -9.017 4.470 1.00 0.00 C ATOM 0 H VAL A 57 1.753 -10.963 6.313 1.00 0.00 H new ATOM 0 HA VAL A 57 3.122 -9.865 3.965 1.00 0.00 H new ATOM 0 HB VAL A 57 1.613 -8.453 6.206 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.602 -6.536 4.664 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.257 -7.028 5.096 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.585 -7.465 3.507 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.213 -8.210 4.572 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.697 -9.209 3.413 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.121 -9.919 4.939 1.00 0.00 H new ATOM 821 N ARG A 58 5.112 -8.853 5.106 1.00 0.00 N ATOM 822 CA ARG A 58 6.359 -8.448 5.744 1.00 0.00 C ATOM 823 C ARG A 58 6.717 -7.011 5.375 1.00 0.00 C ATOM 824 O ARG A 58 6.877 -6.683 4.199 1.00 0.00 O ATOM 825 CB ARG A 58 7.494 -9.389 5.336 1.00 0.00 C ATOM 826 CG ARG A 58 8.867 -8.916 5.784 1.00 0.00 C ATOM 827 CD ARG A 58 9.811 -10.086 6.014 1.00 0.00 C ATOM 828 NE ARG A 58 9.676 -10.643 7.357 1.00 0.00 N ATOM 829 CZ ARG A 58 10.017 -9.988 8.462 1.00 0.00 C ATOM 830 NH1 ARG A 58 10.510 -8.760 8.382 1.00 0.00 N ATOM 831 NH2 ARG A 58 9.864 -10.561 9.648 1.00 0.00 N ATOM 0 H ARG A 58 5.090 -8.713 4.096 1.00 0.00 H new ATOM 0 HA ARG A 58 6.221 -8.504 6.824 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.304 -10.377 5.756 1.00 0.00 H new ATOM 0 HB3 ARG A 58 7.492 -9.498 4.251 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.288 -8.250 5.030 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.772 -8.338 6.703 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.610 -10.864 5.277 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.839 -9.758 5.859 1.00 0.00 H new ATOM 0 HE ARG A 58 9.299 -11.586 7.452 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.628 -8.316 7.471 1.00 0.00 H new ATOM 0 HH12 ARG A 58 10.771 -8.259 9.231 1.00 0.00 H new ATOM 0 HH21 ARG A 58 9.484 -11.505 9.713 1.00 0.00 H new ATOM 0 HH22 ARG A 58 10.126 -10.057 10.495 1.00 0.00 H new ATOM 845 N VAL A 59 6.840 -6.158 6.387 1.00 0.00 N ATOM 846 CA VAL A 59 7.179 -4.757 6.169 1.00 0.00 C ATOM 847 C VAL A 59 8.690 -4.550 6.178 1.00 0.00 C ATOM 848 O VAL A 59 9.297 -4.383 7.235 1.00 0.00 O ATOM 849 CB VAL A 59 6.542 -3.853 7.240 1.00 0.00 C ATOM 850 CG1 VAL A 59 6.976 -2.408 7.046 1.00 0.00 C ATOM 851 CG2 VAL A 59 5.026 -3.972 7.204 1.00 0.00 C ATOM 0 H VAL A 59 6.710 -6.413 7.366 1.00 0.00 H new ATOM 0 HA VAL A 59 6.783 -4.483 5.191 1.00 0.00 H new ATOM 0 HB VAL A 59 6.886 -4.182 8.220 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.516 -1.784 7.812 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.061 -2.340 7.126 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.663 -2.063 6.061 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.592 -3.326 7.968 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.661 -3.670 6.223 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.737 -5.005 7.396 1.00 0.00 H new ATOM 861 N GLU A 60 9.290 -4.562 4.992 1.00 0.00 N ATOM 862 CA GLU A 60 10.730 -4.375 4.863 1.00 0.00 C ATOM 863 C GLU A 60 11.076 -2.896 4.711 1.00 0.00 C ATOM 864 O GLU A 60 10.397 -2.160 3.996 1.00 0.00 O ATOM 865 CB GLU A 60 11.264 -5.161 3.664 1.00 0.00 C ATOM 866 CG GLU A 60 11.625 -6.600 3.992 1.00 0.00 C ATOM 867 CD GLU A 60 12.841 -6.707 4.891 1.00 0.00 C ATOM 868 OE1 GLU A 60 13.787 -5.913 4.706 1.00 0.00 O ATOM 869 OE2 GLU A 60 12.846 -7.585 5.779 1.00 0.00 O ATOM 0 H GLU A 60 8.801 -4.699 4.107 1.00 0.00 H new ATOM 0 HA GLU A 60 11.201 -4.749 5.772 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.514 -5.155 2.873 1.00 0.00 H new ATOM 0 HB3 GLU A 60 12.146 -4.654 3.272 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.776 -7.082 4.477 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.814 -7.143 3.066 1.00 0.00 H new ATOM 876 N ALA A 61 12.136 -2.470 5.389 1.00 0.00 N ATOM 877 CA ALA A 61 12.573 -1.081 5.328 1.00 0.00 C ATOM 878 C ALA A 61 14.082 -0.988 5.125 1.00 0.00 C ATOM 879 O ALA A 61 14.847 -0.950 6.088 1.00 0.00 O ATOM 880 CB ALA A 61 12.163 -0.342 6.594 1.00 0.00 C ATOM 0 H ALA A 61 12.708 -3.067 5.987 1.00 0.00 H new ATOM 0 HA ALA A 61 12.088 -0.611 4.472 1.00 0.00 H new ATOM 0 HB1 ALA A 61 12.496 0.694 6.534 1.00 0.00 H new ATOM 0 HB2 ALA A 61 11.078 -0.369 6.696 1.00 0.00 H new ATOM 0 HB3 ALA A 61 12.621 -0.821 7.459 1.00 0.00 H new ATOM 886 N VAL A 62 14.504 -0.953 3.864 1.00 0.00 N ATOM 887 CA VAL A 62 15.921 -0.865 3.535 1.00 0.00 C ATOM 888 C VAL A 62 16.331 0.576 3.255 1.00 0.00 C ATOM 889 O VAL A 62 16.050 1.117 2.186 1.00 0.00 O ATOM 890 CB VAL A 62 16.268 -1.733 2.310 1.00 0.00 C ATOM 891 CG1 VAL A 62 16.255 -3.208 2.681 1.00 0.00 C ATOM 892 CG2 VAL A 62 15.302 -1.453 1.169 1.00 0.00 C ATOM 0 H VAL A 62 13.884 -0.984 3.055 1.00 0.00 H new ATOM 0 HA VAL A 62 16.471 -1.235 4.401 1.00 0.00 H new ATOM 0 HB VAL A 62 17.273 -1.476 1.976 1.00 0.00 H new ATOM 0 HG11 VAL A 62 16.502 -3.806 1.804 1.00 0.00 H new ATOM 0 HG12 VAL A 62 16.990 -3.393 3.465 1.00 0.00 H new ATOM 0 HG13 VAL A 62 15.264 -3.484 3.041 1.00 0.00 H new ATOM 0 HG21 VAL A 62 15.561 -2.074 0.312 1.00 0.00 H new ATOM 0 HG22 VAL A 62 14.285 -1.682 1.489 1.00 0.00 H new ATOM 0 HG23 VAL A 62 15.366 -0.402 0.888 1.00 0.00 H new ATOM 902 N GLY A 63 17.000 1.195 4.224 1.00 0.00 N ATOM 903 CA GLY A 63 17.439 2.568 4.062 1.00 0.00 C ATOM 904 C GLY A 63 16.300 3.503 3.705 1.00 0.00 C ATOM 905 O GLY A 63 15.413 3.752 4.523 1.00 0.00 O ATOM 0 H GLY A 63 17.245 0.769 5.118 1.00 0.00 H new ATOM 0 HA2 GLY A 63 17.908 2.908 4.986 1.00 0.00 H new ATOM 0 HA3 GLY A 63 18.200 2.613 3.283 1.00 0.00 H new ATOM 909 N CYS A 64 16.325 4.023 2.483 1.00 0.00 N ATOM 910 CA CYS A 64 15.287 4.938 2.021 1.00 0.00 C ATOM 911 C CYS A 64 14.346 4.243 1.042 1.00 0.00 C ATOM 912 O CYS A 64 13.937 4.826 0.037 1.00 0.00 O ATOM 913 CB CYS A 64 15.917 6.164 1.359 1.00 0.00 C ATOM 914 SG CYS A 64 16.521 7.405 2.527 1.00 0.00 S ATOM 0 H CYS A 64 17.052 3.827 1.795 1.00 0.00 H new ATOM 0 HA CYS A 64 14.708 5.259 2.887 1.00 0.00 H new ATOM 0 HB2 CYS A 64 16.746 5.838 0.730 1.00 0.00 H new ATOM 0 HB3 CYS A 64 15.181 6.627 0.702 1.00 0.00 H new ATOM 0 HG CYS A 64 17.038 8.402 1.872 1.00 0.00 H new ATOM 920 N THR A 65 14.007 2.993 1.340 1.00 0.00 N ATOM 921 CA THR A 65 13.118 2.217 0.486 1.00 0.00 C ATOM 922 C THR A 65 12.241 1.281 1.310 1.00 0.00 C ATOM 923 O THR A 65 12.740 0.375 1.976 1.00 0.00 O ATOM 924 CB THR A 65 13.909 1.388 -0.543 1.00 0.00 C ATOM 925 OG1 THR A 65 14.422 2.243 -1.571 1.00 0.00 O ATOM 926 CG2 THR A 65 13.029 0.313 -1.163 1.00 0.00 C ATOM 0 H THR A 65 14.336 2.496 2.168 1.00 0.00 H new ATOM 0 HA THR A 65 12.486 2.931 -0.042 1.00 0.00 H new ATOM 0 HB THR A 65 14.738 0.904 -0.027 1.00 0.00 H new ATOM 0 HG1 THR A 65 14.239 3.178 -1.341 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.609 -0.260 -1.887 1.00 0.00 H new ATOM 0 HG22 THR A 65 12.664 -0.354 -0.382 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.183 0.781 -1.666 1.00 0.00 H new ATOM 934 N ARG A 66 10.932 1.507 1.260 1.00 0.00 N ATOM 935 CA ARG A 66 9.986 0.683 2.003 1.00 0.00 C ATOM 936 C ARG A 66 9.264 -0.287 1.074 1.00 0.00 C ATOM 937 O ARG A 66 8.394 0.111 0.299 1.00 0.00 O ATOM 938 CB ARG A 66 8.968 1.566 2.728 1.00 0.00 C ATOM 939 CG ARG A 66 9.599 2.710 3.504 1.00 0.00 C ATOM 940 CD ARG A 66 10.191 2.231 4.820 1.00 0.00 C ATOM 941 NE ARG A 66 10.992 3.266 5.469 1.00 0.00 N ATOM 942 CZ ARG A 66 12.271 3.490 5.186 1.00 0.00 C ATOM 943 NH1 ARG A 66 12.890 2.756 4.272 1.00 0.00 N ATOM 944 NH2 ARG A 66 12.933 4.450 5.819 1.00 0.00 N ATOM 0 H ARG A 66 10.503 2.253 0.713 1.00 0.00 H new ATOM 0 HA ARG A 66 10.545 0.105 2.739 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.269 1.975 1.998 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.388 0.949 3.414 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.379 3.174 2.900 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.849 3.476 3.699 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.387 1.923 5.488 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.811 1.352 4.640 1.00 0.00 H new ATOM 0 HE ARG A 66 10.546 3.848 6.178 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.385 2.017 3.784 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.872 2.930 4.057 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.460 5.017 6.523 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.915 4.621 5.601 1.00 0.00 H new ATOM 958 N ARG A 67 9.630 -1.562 1.156 1.00 0.00 N ATOM 959 CA ARG A 67 9.018 -2.589 0.322 1.00 0.00 C ATOM 960 C ARG A 67 8.152 -3.525 1.159 1.00 0.00 C ATOM 961 O ARG A 67 8.566 -3.985 2.225 1.00 0.00 O ATOM 962 CB ARG A 67 10.096 -3.392 -0.409 1.00 0.00 C ATOM 963 CG ARG A 67 10.827 -4.382 0.482 1.00 0.00 C ATOM 964 CD ARG A 67 12.028 -4.988 -0.227 1.00 0.00 C ATOM 965 NE ARG A 67 11.633 -5.982 -1.221 1.00 0.00 N ATOM 966 CZ ARG A 67 12.499 -6.682 -1.946 1.00 0.00 C ATOM 967 NH1 ARG A 67 13.802 -6.498 -1.787 1.00 0.00 N ATOM 968 NH2 ARG A 67 12.061 -7.568 -2.831 1.00 0.00 N ATOM 0 H ARG A 67 10.348 -1.909 1.792 1.00 0.00 H new ATOM 0 HA ARG A 67 8.383 -2.094 -0.412 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.636 -3.932 -1.237 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.820 -2.702 -0.842 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.155 -3.880 1.392 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.143 -5.175 0.784 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.599 -4.197 -0.713 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.686 -5.452 0.507 1.00 0.00 H new ATOM 0 HE ARG A 67 10.637 -6.148 -1.367 1.00 0.00 H new ATOM 0 HH11 ARG A 67 14.142 -5.818 -1.107 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.465 -7.037 -2.345 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.059 -7.712 -2.955 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.726 -8.105 -3.387 1.00 0.00 H new ATOM 982 N LEU A 68 6.948 -3.803 0.672 1.00 0.00 N ATOM 983 CA LEU A 68 6.022 -4.685 1.375 1.00 0.00 C ATOM 984 C LEU A 68 5.819 -5.986 0.606 1.00 0.00 C ATOM 985 O LEU A 68 5.206 -6.000 -0.461 1.00 0.00 O ATOM 986 CB LEU A 68 4.678 -3.985 1.580 1.00 0.00 C ATOM 987 CG LEU A 68 3.661 -4.727 2.448 1.00 0.00 C ATOM 988 CD1 LEU A 68 3.843 -4.362 3.913 1.00 0.00 C ATOM 989 CD2 LEU A 68 2.243 -4.416 1.992 1.00 0.00 C ATOM 0 H LEU A 68 6.590 -3.430 -0.207 1.00 0.00 H new ATOM 0 HA LEU A 68 6.453 -4.923 2.347 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.864 -3.009 2.027 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.230 -3.808 0.602 1.00 0.00 H new ATOM 0 HG LEU A 68 3.831 -5.798 2.337 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.111 -4.899 4.516 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.848 -4.636 4.234 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.701 -3.289 4.041 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.533 -4.953 2.621 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.062 -3.344 2.073 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.118 -4.728 0.955 1.00 0.00 H new ATOM 1001 N VAL A 69 6.337 -7.080 1.157 1.00 0.00 N ATOM 1002 CA VAL A 69 6.209 -8.388 0.526 1.00 0.00 C ATOM 1003 C VAL A 69 4.955 -9.110 1.005 1.00 0.00 C ATOM 1004 O VAL A 69 4.792 -9.368 2.198 1.00 0.00 O ATOM 1005 CB VAL A 69 7.438 -9.271 0.812 1.00 0.00 C ATOM 1006 CG1 VAL A 69 7.336 -10.589 0.059 1.00 0.00 C ATOM 1007 CG2 VAL A 69 8.719 -8.537 0.445 1.00 0.00 C ATOM 0 H VAL A 69 6.849 -7.086 2.039 1.00 0.00 H new ATOM 0 HA VAL A 69 6.136 -8.216 -0.548 1.00 0.00 H new ATOM 0 HB VAL A 69 7.465 -9.490 1.879 1.00 0.00 H new ATOM 0 HG11 VAL A 69 8.213 -11.199 0.273 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.438 -11.120 0.375 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.283 -10.393 -1.012 1.00 0.00 H new ATOM 0 HG21 VAL A 69 9.577 -9.176 0.654 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.703 -8.286 -0.615 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.796 -7.623 1.033 1.00 0.00 H new ATOM 1017 N VAL A 70 4.071 -9.435 0.067 1.00 0.00 N ATOM 1018 CA VAL A 70 2.831 -10.129 0.393 1.00 0.00 C ATOM 1019 C VAL A 70 2.840 -11.554 -0.150 1.00 0.00 C ATOM 1020 O VAL A 70 2.581 -11.779 -1.332 1.00 0.00 O ATOM 1021 CB VAL A 70 1.606 -9.385 -0.170 1.00 0.00 C ATOM 1022 CG1 VAL A 70 0.354 -10.237 -0.032 1.00 0.00 C ATOM 1023 CG2 VAL A 70 1.429 -8.046 0.529 1.00 0.00 C ATOM 0 H VAL A 70 4.191 -9.229 -0.925 1.00 0.00 H new ATOM 0 HA VAL A 70 2.761 -10.157 1.480 1.00 0.00 H new ATOM 0 HB VAL A 70 1.773 -9.196 -1.230 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.501 -9.695 -0.435 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.485 -11.169 -0.582 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.179 -10.459 1.021 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.559 -7.534 0.119 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.284 -8.209 1.597 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.317 -7.434 0.373 1.00 0.00 H new ATOM 1033 N GLN A 71 3.139 -12.512 0.721 1.00 0.00 N ATOM 1034 CA GLN A 71 3.182 -13.915 0.328 1.00 0.00 C ATOM 1035 C GLN A 71 1.779 -14.449 0.062 1.00 0.00 C ATOM 1036 O GLN A 71 0.816 -14.038 0.708 1.00 0.00 O ATOM 1037 CB GLN A 71 3.860 -14.751 1.416 1.00 0.00 C ATOM 1038 CG GLN A 71 5.088 -14.085 2.017 1.00 0.00 C ATOM 1039 CD GLN A 71 6.115 -15.088 2.505 1.00 0.00 C ATOM 1040 OE1 GLN A 71 5.774 -16.210 2.882 1.00 0.00 O ATOM 1041 NE2 GLN A 71 7.381 -14.689 2.500 1.00 0.00 N ATOM 0 H GLN A 71 3.355 -12.342 1.703 1.00 0.00 H new ATOM 0 HA GLN A 71 3.761 -13.990 -0.593 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.140 -14.952 2.210 1.00 0.00 H new ATOM 0 HB3 GLN A 71 4.148 -15.715 0.996 1.00 0.00 H new ATOM 0 HG2 GLN A 71 5.546 -13.435 1.271 1.00 0.00 H new ATOM 0 HG3 GLN A 71 4.782 -13.450 2.848 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.619 -13.750 2.179 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.116 -15.321 2.817 1.00 0.00 H new ATOM 1050 N GLN A 72 1.671 -15.366 -0.895 1.00 0.00 N ATOM 1051 CA GLN A 72 0.385 -15.954 -1.247 1.00 0.00 C ATOM 1052 C GLN A 72 -0.630 -14.872 -1.603 1.00 0.00 C ATOM 1053 O GLN A 72 -1.750 -14.866 -1.093 1.00 0.00 O ATOM 1054 CB GLN A 72 -0.144 -16.806 -0.091 1.00 0.00 C ATOM 1055 CG GLN A 72 0.556 -18.148 0.045 1.00 0.00 C ATOM 1056 CD GLN A 72 0.265 -18.826 1.370 1.00 0.00 C ATOM 1057 OE1 GLN A 72 -0.157 -18.181 2.331 1.00 0.00 O ATOM 1058 NE2 GLN A 72 0.490 -20.133 1.428 1.00 0.00 N ATOM 0 H GLN A 72 2.459 -15.717 -1.440 1.00 0.00 H new ATOM 0 HA GLN A 72 0.532 -16.590 -2.120 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.031 -16.251 0.840 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -1.211 -16.975 -0.234 1.00 0.00 H new ATOM 0 HG2 GLN A 72 0.243 -18.801 -0.770 1.00 0.00 H new ATOM 0 HG3 GLN A 72 1.632 -18.005 -0.057 1.00 0.00 H new ATOM 0 HE21 GLN A 72 0.840 -20.627 0.607 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.313 -20.643 2.293 1.00 0.00 H new ATOM 1067 N ALA A 73 -0.229 -13.958 -2.480 1.00 0.00 N ATOM 1068 CA ALA A 73 -1.104 -12.872 -2.905 1.00 0.00 C ATOM 1069 C ALA A 73 -2.403 -13.412 -3.494 1.00 0.00 C ATOM 1070 O ALA A 73 -2.441 -13.845 -4.645 1.00 0.00 O ATOM 1071 CB ALA A 73 -0.392 -11.986 -3.916 1.00 0.00 C ATOM 0 H ALA A 73 0.696 -13.948 -2.910 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.354 -12.275 -2.028 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.057 -11.179 -4.225 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.504 -11.564 -3.462 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.113 -12.579 -4.787 1.00 0.00 H new ATOM 1077 N GLY A 74 -3.466 -13.384 -2.697 1.00 0.00 N ATOM 1078 CA GLY A 74 -4.752 -13.875 -3.157 1.00 0.00 C ATOM 1079 C GLY A 74 -5.839 -12.822 -3.070 1.00 0.00 C ATOM 1080 O GLY A 74 -5.624 -11.744 -2.515 1.00 0.00 O ATOM 0 H GLY A 74 -3.460 -13.030 -1.740 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.660 -14.214 -4.189 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -5.041 -14.741 -2.562 1.00 0.00 H new ATOM 1084 N GLN A 75 -7.008 -13.134 -3.619 1.00 0.00 N ATOM 1085 CA GLN A 75 -8.132 -12.204 -3.602 1.00 0.00 C ATOM 1086 C GLN A 75 -8.175 -11.426 -2.291 1.00 0.00 C ATOM 1087 O GLN A 75 -8.342 -10.207 -2.287 1.00 0.00 O ATOM 1088 CB GLN A 75 -9.447 -12.958 -3.806 1.00 0.00 C ATOM 1089 CG GLN A 75 -9.513 -13.724 -5.117 1.00 0.00 C ATOM 1090 CD GLN A 75 -9.759 -12.821 -6.309 1.00 0.00 C ATOM 1091 OE1 GLN A 75 -10.845 -12.262 -6.466 1.00 0.00 O ATOM 1092 NE2 GLN A 75 -8.749 -12.673 -7.158 1.00 0.00 N ATOM 0 H GLN A 75 -7.202 -14.023 -4.081 1.00 0.00 H new ATOM 0 HA GLN A 75 -7.998 -11.495 -4.419 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.588 -13.655 -2.980 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -10.273 -12.248 -3.768 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -8.579 -14.267 -5.264 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.308 -14.468 -5.059 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -7.866 -13.155 -6.989 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -8.856 -12.077 -7.979 1.00 0.00 H new ATOM 1101 N ALA A 76 -8.023 -12.140 -1.181 1.00 0.00 N ATOM 1102 CA ALA A 76 -8.043 -11.516 0.137 1.00 0.00 C ATOM 1103 C ALA A 76 -7.003 -10.405 0.234 1.00 0.00 C ATOM 1104 O ALA A 76 -7.287 -9.318 0.735 1.00 0.00 O ATOM 1105 CB ALA A 76 -7.808 -12.559 1.219 1.00 0.00 C ATOM 0 H ALA A 76 -7.885 -13.150 -1.168 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.027 -11.071 0.286 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.826 -12.079 2.197 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.592 -13.315 1.172 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.838 -13.032 1.064 1.00 0.00 H new ATOM 1111 N GLU A 77 -5.796 -10.688 -0.247 1.00 0.00 N ATOM 1112 CA GLU A 77 -4.713 -9.712 -0.212 1.00 0.00 C ATOM 1113 C GLU A 77 -4.905 -8.647 -1.289 1.00 0.00 C ATOM 1114 O GLU A 77 -4.480 -7.504 -1.128 1.00 0.00 O ATOM 1115 CB GLU A 77 -3.364 -10.408 -0.402 1.00 0.00 C ATOM 1116 CG GLU A 77 -2.922 -11.220 0.804 1.00 0.00 C ATOM 1117 CD GLU A 77 -3.183 -10.505 2.115 1.00 0.00 C ATOM 1118 OE1 GLU A 77 -3.017 -9.268 2.161 1.00 0.00 O ATOM 1119 OE2 GLU A 77 -3.553 -11.183 3.097 1.00 0.00 O ATOM 0 H GLU A 77 -5.544 -11.584 -0.665 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.728 -9.225 0.763 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.423 -11.065 -1.270 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.605 -9.657 -0.622 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.445 -12.176 0.805 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.858 -11.439 0.720 1.00 0.00 H new ATOM 1126 N ALA A 78 -5.547 -9.033 -2.386 1.00 0.00 N ATOM 1127 CA ALA A 78 -5.796 -8.113 -3.489 1.00 0.00 C ATOM 1128 C ALA A 78 -6.695 -6.961 -3.050 1.00 0.00 C ATOM 1129 O ALA A 78 -7.746 -7.176 -2.448 1.00 0.00 O ATOM 1130 CB ALA A 78 -6.419 -8.852 -4.663 1.00 0.00 C ATOM 0 H ALA A 78 -5.904 -9.977 -2.535 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.840 -7.695 -3.804 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.599 -8.152 -5.479 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -5.741 -9.636 -5.000 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.364 -9.298 -4.352 1.00 0.00 H new ATOM 1136 N GLY A 79 -6.273 -5.738 -3.355 1.00 0.00 N ATOM 1137 CA GLY A 79 -7.051 -4.570 -2.983 1.00 0.00 C ATOM 1138 C GLY A 79 -6.339 -3.272 -3.307 1.00 0.00 C ATOM 1139 O GLY A 79 -5.995 -3.016 -4.460 1.00 0.00 O ATOM 0 H GLY A 79 -5.406 -5.535 -3.853 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.009 -4.595 -3.503 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.267 -4.606 -1.915 1.00 0.00 H new ATOM 1143 N GLU A 80 -6.119 -2.450 -2.285 1.00 0.00 N ATOM 1144 CA GLU A 80 -5.445 -1.169 -2.468 1.00 0.00 C ATOM 1145 C GLU A 80 -4.621 -0.807 -1.236 1.00 0.00 C ATOM 1146 O GLU A 80 -5.168 -0.430 -0.199 1.00 0.00 O ATOM 1147 CB GLU A 80 -6.467 -0.067 -2.755 1.00 0.00 C ATOM 1148 CG GLU A 80 -6.786 0.099 -4.231 1.00 0.00 C ATOM 1149 CD GLU A 80 -7.688 1.286 -4.503 1.00 0.00 C ATOM 1150 OE1 GLU A 80 -8.479 1.649 -3.608 1.00 0.00 O ATOM 1151 OE2 GLU A 80 -7.603 1.853 -5.613 1.00 0.00 O ATOM 0 H GLU A 80 -6.397 -2.648 -1.324 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.771 -1.260 -3.320 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.388 -0.288 -2.216 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.089 0.878 -2.365 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.857 0.218 -4.788 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.265 -0.808 -4.600 1.00 0.00 H new ATOM 1158 N TYR A 81 -3.304 -0.924 -1.357 1.00 0.00 N ATOM 1159 CA TYR A 81 -2.404 -0.612 -0.253 1.00 0.00 C ATOM 1160 C TYR A 81 -1.981 0.853 -0.292 1.00 0.00 C ATOM 1161 O TYR A 81 -1.792 1.428 -1.364 1.00 0.00 O ATOM 1162 CB TYR A 81 -1.169 -1.513 -0.304 1.00 0.00 C ATOM 1163 CG TYR A 81 -1.467 -2.967 -0.018 1.00 0.00 C ATOM 1164 CD1 TYR A 81 -2.211 -3.732 -0.909 1.00 0.00 C ATOM 1165 CD2 TYR A 81 -1.007 -3.576 1.143 1.00 0.00 C ATOM 1166 CE1 TYR A 81 -2.487 -5.061 -0.651 1.00 0.00 C ATOM 1167 CE2 TYR A 81 -1.277 -4.905 1.408 1.00 0.00 C ATOM 1168 CZ TYR A 81 -2.017 -5.643 0.508 1.00 0.00 C ATOM 1169 OH TYR A 81 -2.290 -6.966 0.769 1.00 0.00 O ATOM 0 H TYR A 81 -2.835 -1.233 -2.209 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.938 -0.792 0.680 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -0.711 -1.432 -1.290 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.437 -1.152 0.418 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.579 -3.280 -1.818 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -0.428 -3.001 1.851 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -3.068 -5.641 -1.353 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -0.911 -5.363 2.315 1.00 0.00 H new ATOM 0 HH TYR A 81 -3.030 -7.266 0.200 1.00 0.00 H new ATOM 1179 N SER A 82 -1.833 1.451 0.885 1.00 0.00 N ATOM 1180 CA SER A 82 -1.436 2.850 0.988 1.00 0.00 C ATOM 1181 C SER A 82 -0.267 3.014 1.954 1.00 0.00 C ATOM 1182 O SER A 82 -0.427 2.880 3.168 1.00 0.00 O ATOM 1183 CB SER A 82 -2.617 3.706 1.449 1.00 0.00 C ATOM 1184 OG SER A 82 -3.738 3.526 0.601 1.00 0.00 O ATOM 0 H SER A 82 -1.982 0.988 1.782 1.00 0.00 H new ATOM 0 HA SER A 82 -1.118 3.184 0.000 1.00 0.00 H new ATOM 0 HB2 SER A 82 -2.885 3.442 2.472 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.328 4.757 1.457 1.00 0.00 H new ATOM 0 HG SER A 82 -4.480 4.082 0.917 1.00 0.00 H new ATOM 1190 N CYS A 83 0.909 3.304 1.407 1.00 0.00 N ATOM 1191 CA CYS A 83 2.106 3.485 2.220 1.00 0.00 C ATOM 1192 C CYS A 83 2.091 4.841 2.917 1.00 0.00 C ATOM 1193 O CYS A 83 2.598 5.828 2.385 1.00 0.00 O ATOM 1194 CB CYS A 83 3.360 3.357 1.354 1.00 0.00 C ATOM 1195 SG CYS A 83 4.909 3.583 2.259 1.00 0.00 S ATOM 0 H CYS A 83 1.059 3.419 0.405 1.00 0.00 H new ATOM 0 HA CYS A 83 2.118 2.706 2.982 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.366 2.373 0.885 1.00 0.00 H new ATOM 0 HB3 CYS A 83 3.310 4.092 0.551 1.00 0.00 H new ATOM 0 HG CYS A 83 5.912 3.316 1.476 1.00 0.00 H new ATOM 1201 N GLU A 84 1.503 4.882 4.108 1.00 0.00 N ATOM 1202 CA GLU A 84 1.419 6.119 4.876 1.00 0.00 C ATOM 1203 C GLU A 84 2.757 6.442 5.535 1.00 0.00 C ATOM 1204 O GLU A 84 3.541 5.545 5.845 1.00 0.00 O ATOM 1205 CB GLU A 84 0.326 6.012 5.941 1.00 0.00 C ATOM 1206 CG GLU A 84 -0.285 7.349 6.324 1.00 0.00 C ATOM 1207 CD GLU A 84 -1.222 7.244 7.512 1.00 0.00 C ATOM 1208 OE1 GLU A 84 -0.729 7.267 8.659 1.00 0.00 O ATOM 1209 OE2 GLU A 84 -2.447 7.139 7.294 1.00 0.00 O ATOM 0 H GLU A 84 1.078 4.074 4.562 1.00 0.00 H new ATOM 0 HA GLU A 84 1.168 6.927 4.188 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.462 5.354 5.576 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.744 5.545 6.833 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.512 8.055 6.556 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.830 7.753 5.471 1.00 0.00 H new ATOM 1216 N ALA A 85 3.011 7.730 5.746 1.00 0.00 N ATOM 1217 CA ALA A 85 4.252 8.172 6.369 1.00 0.00 C ATOM 1218 C ALA A 85 4.190 9.653 6.726 1.00 0.00 C ATOM 1219 O ALA A 85 4.186 10.514 5.847 1.00 0.00 O ATOM 1220 CB ALA A 85 5.432 7.898 5.448 1.00 0.00 C ATOM 0 H ALA A 85 2.373 8.485 5.494 1.00 0.00 H new ATOM 0 HA ALA A 85 4.387 7.608 7.292 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.352 8.233 5.926 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.496 6.829 5.247 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.294 8.436 4.510 1.00 0.00 H new ATOM 1226 N GLY A 86 4.142 9.943 8.023 1.00 0.00 N ATOM 1227 CA GLY A 86 4.080 11.321 8.472 1.00 0.00 C ATOM 1228 C GLY A 86 2.741 11.968 8.177 1.00 0.00 C ATOM 1229 O GLY A 86 1.812 11.883 8.979 1.00 0.00 O ATOM 0 H GLY A 86 4.145 9.248 8.770 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.270 11.359 9.545 1.00 0.00 H new ATOM 0 HA3 GLY A 86 4.871 11.894 7.988 1.00 0.00 H new ATOM 1233 N GLY A 87 2.641 12.618 7.022 1.00 0.00 N ATOM 1234 CA GLY A 87 1.403 13.274 6.644 1.00 0.00 C ATOM 1235 C GLY A 87 0.999 12.970 5.215 1.00 0.00 C ATOM 1236 O GLY A 87 0.021 13.521 4.710 1.00 0.00 O ATOM 0 H GLY A 87 3.396 12.702 6.341 1.00 0.00 H new ATOM 0 HA2 GLY A 87 0.607 12.958 7.318 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.514 14.351 6.765 1.00 0.00 H new ATOM 1240 N GLN A 88 1.754 12.093 4.562 1.00 0.00 N ATOM 1241 CA GLN A 88 1.469 11.720 3.181 1.00 0.00 C ATOM 1242 C GLN A 88 1.393 10.204 3.032 1.00 0.00 C ATOM 1243 O GLN A 88 1.822 9.462 3.916 1.00 0.00 O ATOM 1244 CB GLN A 88 2.541 12.283 2.247 1.00 0.00 C ATOM 1245 CG GLN A 88 2.617 13.801 2.253 1.00 0.00 C ATOM 1246 CD GLN A 88 3.966 14.320 1.795 1.00 0.00 C ATOM 1247 OE1 GLN A 88 4.414 15.383 2.224 1.00 0.00 O ATOM 1248 NE2 GLN A 88 4.622 13.569 0.917 1.00 0.00 N ATOM 0 H GLN A 88 2.567 11.628 4.966 1.00 0.00 H new ATOM 0 HA GLN A 88 0.502 12.143 2.909 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.511 11.878 2.535 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.342 11.942 1.231 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.838 14.202 1.604 1.00 0.00 H new ATOM 0 HG3 GLN A 88 2.414 14.167 3.259 1.00 0.00 H new ATOM 0 HE21 GLN A 88 4.213 12.694 0.588 1.00 0.00 H new ATOM 0 HE22 GLN A 88 5.534 13.867 0.572 1.00 0.00 H new ATOM 1257 N GLN A 89 0.844 9.751 1.909 1.00 0.00 N ATOM 1258 CA GLN A 89 0.711 8.323 1.646 1.00 0.00 C ATOM 1259 C GLN A 89 0.382 8.069 0.179 1.00 0.00 C ATOM 1260 O GLN A 89 -0.443 8.766 -0.414 1.00 0.00 O ATOM 1261 CB GLN A 89 -0.375 7.718 2.537 1.00 0.00 C ATOM 1262 CG GLN A 89 -1.776 7.851 1.963 1.00 0.00 C ATOM 1263 CD GLN A 89 -2.847 7.867 3.037 1.00 0.00 C ATOM 1264 OE1 GLN A 89 -3.214 8.926 3.547 1.00 0.00 O ATOM 1265 NE2 GLN A 89 -3.355 6.691 3.385 1.00 0.00 N ATOM 0 H GLN A 89 0.484 10.352 1.167 1.00 0.00 H new ATOM 0 HA GLN A 89 1.664 7.846 1.874 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -0.156 6.662 2.697 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -0.344 8.202 3.513 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -1.839 8.769 1.378 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -1.965 7.023 1.279 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -3.021 5.838 2.936 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -4.079 6.640 4.101 1.00 0.00 H new ATOM 1274 N LEU A 90 1.032 7.066 -0.403 1.00 0.00 N ATOM 1275 CA LEU A 90 0.809 6.719 -1.802 1.00 0.00 C ATOM 1276 C LEU A 90 -0.231 5.611 -1.929 1.00 0.00 C ATOM 1277 O LEU A 90 -0.826 5.187 -0.938 1.00 0.00 O ATOM 1278 CB LEU A 90 2.121 6.281 -2.455 1.00 0.00 C ATOM 1279 CG LEU A 90 3.292 7.255 -2.328 1.00 0.00 C ATOM 1280 CD1 LEU A 90 4.614 6.503 -2.321 1.00 0.00 C ATOM 1281 CD2 LEU A 90 3.262 8.275 -3.457 1.00 0.00 C ATOM 0 H LEU A 90 1.717 6.479 0.073 1.00 0.00 H new ATOM 0 HA LEU A 90 0.434 7.604 -2.315 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.419 5.327 -2.020 1.00 0.00 H new ATOM 0 HB3 LEU A 90 1.935 6.104 -3.514 1.00 0.00 H new ATOM 0 HG LEU A 90 3.196 7.787 -1.382 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.436 7.213 -2.230 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.636 5.813 -1.478 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.719 5.943 -3.250 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.103 8.960 -3.351 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.333 7.760 -4.415 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.329 8.837 -3.415 1.00 0.00 H new ATOM 1293 N SER A 91 -0.444 5.143 -3.155 1.00 0.00 N ATOM 1294 CA SER A 91 -1.413 4.084 -3.412 1.00 0.00 C ATOM 1295 C SER A 91 -0.769 2.933 -4.180 1.00 0.00 C ATOM 1296 O SER A 91 0.227 3.119 -4.879 1.00 0.00 O ATOM 1297 CB SER A 91 -2.604 4.634 -4.198 1.00 0.00 C ATOM 1298 OG SER A 91 -3.495 3.595 -4.567 1.00 0.00 O ATOM 0 H SER A 91 0.042 5.481 -3.986 1.00 0.00 H new ATOM 0 HA SER A 91 -1.764 3.705 -2.452 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.132 5.373 -3.595 1.00 0.00 H new ATOM 0 HB3 SER A 91 -2.248 5.147 -5.092 1.00 0.00 H new ATOM 0 HG SER A 91 -4.249 3.973 -5.067 1.00 0.00 H new ATOM 1304 N PHE A 92 -1.347 1.744 -4.045 1.00 0.00 N ATOM 1305 CA PHE A 92 -0.830 0.562 -4.725 1.00 0.00 C ATOM 1306 C PHE A 92 -1.913 -0.504 -4.860 1.00 0.00 C ATOM 1307 O PHE A 92 -2.274 -1.164 -3.885 1.00 0.00 O ATOM 1308 CB PHE A 92 0.370 -0.006 -3.964 1.00 0.00 C ATOM 1309 CG PHE A 92 1.600 0.850 -4.058 1.00 0.00 C ATOM 1310 CD1 PHE A 92 1.787 1.914 -3.190 1.00 0.00 C ATOM 1311 CD2 PHE A 92 2.569 0.592 -5.014 1.00 0.00 C ATOM 1312 CE1 PHE A 92 2.918 2.705 -3.275 1.00 0.00 C ATOM 1313 CE2 PHE A 92 3.702 1.378 -5.103 1.00 0.00 C ATOM 1314 CZ PHE A 92 3.877 2.436 -4.232 1.00 0.00 C ATOM 0 H PHE A 92 -2.173 1.573 -3.471 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.510 0.858 -5.724 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.100 -0.127 -2.915 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.598 -0.999 -4.351 1.00 0.00 H new ATOM 0 HD1 PHE A 92 1.041 2.128 -2.439 1.00 0.00 H new ATOM 0 HD2 PHE A 92 2.437 -0.233 -5.698 1.00 0.00 H new ATOM 0 HE1 PHE A 92 3.051 3.532 -2.594 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.450 1.165 -5.853 1.00 0.00 H new ATOM 0 HZ PHE A 92 4.762 3.052 -4.299 1.00 0.00 H new ATOM 1324 N ARG A 93 -2.427 -0.667 -6.074 1.00 0.00 N ATOM 1325 CA ARG A 93 -3.470 -1.651 -6.337 1.00 0.00 C ATOM 1326 C ARG A 93 -2.863 -3.017 -6.645 1.00 0.00 C ATOM 1327 O ARG A 93 -2.340 -3.244 -7.736 1.00 0.00 O ATOM 1328 CB ARG A 93 -4.348 -1.197 -7.504 1.00 0.00 C ATOM 1329 CG ARG A 93 -5.337 -2.253 -7.970 1.00 0.00 C ATOM 1330 CD ARG A 93 -6.659 -2.145 -7.227 1.00 0.00 C ATOM 1331 NE ARG A 93 -7.330 -3.437 -7.114 1.00 0.00 N ATOM 1332 CZ ARG A 93 -8.098 -3.952 -8.067 1.00 0.00 C ATOM 1333 NH1 ARG A 93 -8.290 -3.288 -9.199 1.00 0.00 N ATOM 1334 NH2 ARG A 93 -8.675 -5.133 -7.890 1.00 0.00 N ATOM 0 H ARG A 93 -2.138 -0.130 -6.892 1.00 0.00 H new ATOM 0 HA ARG A 93 -4.085 -1.739 -5.442 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -4.897 -0.303 -7.208 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -3.708 -0.916 -8.341 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -5.510 -2.144 -9.041 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -4.912 -3.245 -7.816 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -6.483 -1.740 -6.231 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -7.311 -1.442 -7.746 1.00 0.00 H new ATOM 0 HE ARG A 93 -7.202 -3.973 -6.256 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -7.847 -2.380 -9.339 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -8.880 -3.686 -9.930 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -8.529 -5.647 -7.021 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -9.265 -5.527 -8.623 1.00 0.00 H new ATOM 1348 N LEU A 94 -2.936 -3.923 -5.676 1.00 0.00 N ATOM 1349 CA LEU A 94 -2.394 -5.267 -5.842 1.00 0.00 C ATOM 1350 C LEU A 94 -3.428 -6.198 -6.467 1.00 0.00 C ATOM 1351 O LEU A 94 -4.374 -6.623 -5.805 1.00 0.00 O ATOM 1352 CB LEU A 94 -1.938 -5.825 -4.493 1.00 0.00 C ATOM 1353 CG LEU A 94 -1.485 -7.285 -4.489 1.00 0.00 C ATOM 1354 CD1 LEU A 94 -0.405 -7.512 -5.536 1.00 0.00 C ATOM 1355 CD2 LEU A 94 -0.985 -7.685 -3.108 1.00 0.00 C ATOM 0 H LEU A 94 -3.365 -3.751 -4.767 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.536 -5.206 -6.511 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.116 -5.210 -4.127 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.758 -5.718 -3.782 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.341 -7.912 -4.739 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.095 -8.557 -5.518 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.798 -7.267 -6.523 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.453 -6.875 -5.318 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.667 -8.727 -3.124 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.142 -7.053 -2.829 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.788 -7.562 -2.381 1.00 0.00 H new ATOM 1367 N GLN A 95 -3.239 -6.511 -7.745 1.00 0.00 N ATOM 1368 CA GLN A 95 -4.154 -7.393 -8.458 1.00 0.00 C ATOM 1369 C GLN A 95 -3.647 -8.831 -8.444 1.00 0.00 C ATOM 1370 O GLN A 95 -2.450 -9.080 -8.589 1.00 0.00 O ATOM 1371 CB GLN A 95 -4.334 -6.917 -9.901 1.00 0.00 C ATOM 1372 CG GLN A 95 -4.900 -5.511 -10.012 1.00 0.00 C ATOM 1373 CD GLN A 95 -4.959 -5.017 -11.444 1.00 0.00 C ATOM 1374 OE1 GLN A 95 -4.605 -5.739 -12.377 1.00 0.00 O ATOM 1375 NE2 GLN A 95 -5.409 -3.781 -11.627 1.00 0.00 N ATOM 0 H GLN A 95 -2.461 -6.167 -8.307 1.00 0.00 H new ATOM 0 HA GLN A 95 -5.118 -7.362 -7.950 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -3.370 -6.953 -10.409 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.996 -7.608 -10.423 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -5.902 -5.492 -9.584 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.288 -4.829 -9.421 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -5.692 -3.217 -10.825 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -5.472 -3.395 -12.569 1.00 0.00 H new ATOM 1384 N VAL A 96 -4.566 -9.776 -8.267 1.00 0.00 N ATOM 1385 CA VAL A 96 -4.212 -11.190 -8.234 1.00 0.00 C ATOM 1386 C VAL A 96 -4.758 -11.921 -9.455 1.00 0.00 C ATOM 1387 O VAL A 96 -5.953 -11.865 -9.742 1.00 0.00 O ATOM 1388 CB VAL A 96 -4.744 -11.872 -6.960 1.00 0.00 C ATOM 1389 CG1 VAL A 96 -4.527 -13.376 -7.029 1.00 0.00 C ATOM 1390 CG2 VAL A 96 -4.078 -11.286 -5.725 1.00 0.00 C ATOM 0 H VAL A 96 -5.561 -9.587 -8.144 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.123 -11.244 -8.238 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.816 -11.686 -6.890 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.909 -13.841 -6.120 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.054 -13.780 -7.893 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.462 -13.586 -7.124 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.466 -11.779 -4.834 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.001 -11.440 -5.785 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -4.290 -10.218 -5.670 1.00 0.00 H new ATOM 1400 N ALA A 97 -3.873 -12.609 -10.171 1.00 0.00 N ATOM 1401 CA ALA A 97 -4.267 -13.354 -11.360 1.00 0.00 C ATOM 1402 C ALA A 97 -4.639 -14.791 -11.009 1.00 0.00 C ATOM 1403 O ALA A 97 -4.124 -15.358 -10.047 1.00 0.00 O ATOM 1404 CB ALA A 97 -3.148 -13.333 -12.391 1.00 0.00 C ATOM 0 H ALA A 97 -2.879 -12.665 -9.948 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.147 -12.872 -11.786 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.456 -13.893 -13.274 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -2.932 -12.302 -12.672 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.253 -13.788 -11.966 1.00 0.00 H new ATOM 1410 N GLY A 98 -5.538 -15.374 -11.797 1.00 0.00 N ATOM 1411 CA GLY A 98 -5.964 -16.739 -11.552 1.00 0.00 C ATOM 1412 C GLY A 98 -6.529 -16.929 -10.159 1.00 0.00 C ATOM 1413 O GLY A 98 -6.989 -15.974 -9.534 1.00 0.00 O ATOM 0 H GLY A 98 -5.978 -14.925 -12.600 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -6.718 -17.019 -12.288 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -5.117 -17.411 -11.692 1.00 0.00 H new ATOM 1417 N GLN A 99 -6.497 -18.166 -9.672 1.00 0.00 N ATOM 1418 CA GLN A 99 -7.013 -18.477 -8.344 1.00 0.00 C ATOM 1419 C GLN A 99 -6.289 -19.679 -7.747 1.00 0.00 C ATOM 1420 O GLN A 99 -5.545 -20.375 -8.439 1.00 0.00 O ATOM 1421 CB GLN A 99 -8.516 -18.753 -8.410 1.00 0.00 C ATOM 1422 CG GLN A 99 -8.878 -19.944 -9.283 1.00 0.00 C ATOM 1423 CD GLN A 99 -10.187 -20.591 -8.874 1.00 0.00 C ATOM 1424 OE1 GLN A 99 -11.183 -19.908 -8.637 1.00 0.00 O ATOM 1425 NE2 GLN A 99 -10.191 -21.916 -8.789 1.00 0.00 N ATOM 0 H GLN A 99 -6.120 -18.968 -10.177 1.00 0.00 H new ATOM 0 HA GLN A 99 -6.837 -17.614 -7.702 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -8.890 -18.926 -7.401 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -9.023 -17.867 -8.791 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -8.946 -19.621 -10.322 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -8.079 -20.684 -9.231 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -9.342 -22.443 -8.995 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -11.043 -22.407 -8.518 1.00 0.00 H new ATOM 1434 N CYS A 100 -6.512 -19.918 -6.459 1.00 0.00 N ATOM 1435 CA CYS A 100 -5.879 -21.036 -5.768 1.00 0.00 C ATOM 1436 C CYS A 100 -6.686 -21.443 -4.540 1.00 0.00 C ATOM 1437 O CYS A 100 -6.865 -20.653 -3.612 1.00 0.00 O ATOM 1438 CB CYS A 100 -4.453 -20.667 -5.357 1.00 0.00 C ATOM 1439 SG CYS A 100 -3.349 -22.087 -5.170 1.00 0.00 S ATOM 0 H CYS A 100 -7.126 -19.353 -5.873 1.00 0.00 H new ATOM 0 HA CYS A 100 -5.844 -21.882 -6.454 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -4.035 -19.991 -6.103 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -4.488 -20.120 -4.415 1.00 0.00 H new ATOM 0 HG CYS A 100 -2.166 -21.674 -4.823 1.00 0.00 H new ATOM 1445 N PHE A 101 -7.174 -22.679 -4.541 1.00 0.00 N ATOM 1446 CA PHE A 101 -7.965 -23.190 -3.428 1.00 0.00 C ATOM 1447 C PHE A 101 -7.434 -22.664 -2.097 1.00 0.00 C ATOM 1448 O PHE A 101 -6.226 -22.546 -1.901 1.00 0.00 O ATOM 1449 CB PHE A 101 -7.952 -24.720 -3.426 1.00 0.00 C ATOM 1450 CG PHE A 101 -6.645 -25.308 -2.977 1.00 0.00 C ATOM 1451 CD1 PHE A 101 -6.243 -25.208 -1.655 1.00 0.00 C ATOM 1452 CD2 PHE A 101 -5.818 -25.961 -3.878 1.00 0.00 C ATOM 1453 CE1 PHE A 101 -5.041 -25.749 -1.239 1.00 0.00 C ATOM 1454 CE2 PHE A 101 -4.615 -26.503 -3.467 1.00 0.00 C ATOM 1455 CZ PHE A 101 -4.225 -26.396 -2.146 1.00 0.00 C ATOM 0 H PHE A 101 -7.035 -23.345 -5.301 1.00 0.00 H new ATOM 0 HA PHE A 101 -8.990 -22.842 -3.553 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -8.747 -25.081 -2.774 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -8.177 -25.079 -4.431 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -6.876 -24.702 -0.941 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -6.117 -26.047 -4.912 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -4.740 -25.666 -0.205 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -3.980 -27.010 -4.178 1.00 0.00 H new ATOM 0 HZ PHE A 101 -3.284 -26.817 -1.823 1.00 0.00 H new ATOM 1465 N GLY A 102 -8.349 -22.349 -1.185 1.00 0.00 N ATOM 1466 CA GLY A 102 -7.956 -21.839 0.115 1.00 0.00 C ATOM 1467 C GLY A 102 -7.779 -20.333 0.118 1.00 0.00 C ATOM 1468 O GLY A 102 -7.401 -19.744 -0.895 1.00 0.00 O ATOM 0 H GLY A 102 -9.356 -22.438 -1.324 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -8.709 -22.115 0.853 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.023 -22.312 0.420 1.00 0.00 H new TER 1472 GLY A 102