USER MOD reduce.3.24.130724 H: found=0, std=0, add=455, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 453 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 NoAdj-H: A 40 HIS HD1 : A 40 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 35 THR OG1 : rot -72:sc= 1.2 USER MOD Set 1.2: A 41 ASN : amide:sc= -2.23 K(o=-1,f=-13!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -3.28 K(o=-3.3,f=-4.2!) USER MOD Single : A 15 ASN : amide:sc= -0.34 X(o=-0.34,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.072 X(o=-0.072,f=-0.0083) USER MOD Single : A 31 GLN : amide:sc= -0.0131 X(o=-0.013,f=-0.25) USER MOD Single : A 32 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00841) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.341 USER MOD Single : A 49 GLN : amide:sc= -0.354 X(o=-0.35,f=-0.35) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.139 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 165:sc=-0.00523 (180deg=-0.0917) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 59.616 -11.584 17.133 1.00 0.00 N ATOM 2 CA GLY A 1 59.053 -12.235 15.965 1.00 0.00 C ATOM 3 C GLY A 1 57.701 -11.667 15.580 1.00 0.00 C ATOM 4 O GLY A 1 56.770 -11.662 16.386 1.00 0.00 O ATOM 0 H1 GLY A 1 60.539 -12.008 17.355 1.00 0.00 H new ATOM 0 H2 GLY A 1 59.738 -10.569 16.940 1.00 0.00 H new ATOM 0 H3 GLY A 1 58.975 -11.708 17.942 1.00 0.00 H new ATOM 0 HA2 GLY A 1 59.741 -12.128 15.126 1.00 0.00 H new ATOM 0 HA3 GLY A 1 58.953 -13.303 16.161 1.00 0.00 H new ATOM 8 N SER A 2 57.592 -11.187 14.345 1.00 0.00 N ATOM 9 CA SER A 2 56.346 -10.609 13.857 1.00 0.00 C ATOM 10 C SER A 2 55.629 -11.576 12.919 1.00 0.00 C ATOM 11 O SER A 2 56.251 -12.200 12.060 1.00 0.00 O ATOM 12 CB SER A 2 56.620 -9.289 13.134 1.00 0.00 C ATOM 13 OG SER A 2 56.754 -8.221 14.056 1.00 0.00 O ATOM 0 H SER A 2 58.352 -11.187 13.664 1.00 0.00 H new ATOM 0 HA SER A 2 55.702 -10.418 14.716 1.00 0.00 H new ATOM 0 HB2 SER A 2 57.530 -9.378 12.541 1.00 0.00 H new ATOM 0 HB3 SER A 2 55.807 -9.075 12.440 1.00 0.00 H new ATOM 0 HG SER A 2 56.930 -7.389 13.569 1.00 0.00 H new ATOM 19 N SER A 3 54.316 -11.694 13.091 1.00 0.00 N ATOM 20 CA SER A 3 53.514 -12.587 12.264 1.00 0.00 C ATOM 21 C SER A 3 52.550 -11.795 11.386 1.00 0.00 C ATOM 22 O SER A 3 52.214 -10.650 11.689 1.00 0.00 O ATOM 23 CB SER A 3 52.733 -13.566 13.142 1.00 0.00 C ATOM 24 OG SER A 3 53.501 -14.725 13.421 1.00 0.00 O ATOM 0 H SER A 3 53.785 -11.182 13.796 1.00 0.00 H new ATOM 0 HA SER A 3 54.190 -13.148 11.618 1.00 0.00 H new ATOM 0 HB2 SER A 3 52.453 -13.078 14.076 1.00 0.00 H new ATOM 0 HB3 SER A 3 51.808 -13.851 12.641 1.00 0.00 H new ATOM 0 HG SER A 3 52.981 -15.334 13.985 1.00 0.00 H new ATOM 30 N GLY A 4 52.108 -12.413 10.295 1.00 0.00 N ATOM 31 CA GLY A 4 51.188 -11.752 9.388 1.00 0.00 C ATOM 32 C GLY A 4 49.794 -12.346 9.443 1.00 0.00 C ATOM 33 O GLY A 4 49.421 -12.981 10.429 1.00 0.00 O ATOM 0 H GLY A 4 52.371 -13.360 10.023 1.00 0.00 H new ATOM 0 HA2 GLY A 4 51.138 -10.692 9.635 1.00 0.00 H new ATOM 0 HA3 GLY A 4 51.571 -11.825 8.370 1.00 0.00 H new ATOM 37 N SER A 5 49.022 -12.137 8.381 1.00 0.00 N ATOM 38 CA SER A 5 47.659 -12.652 8.314 1.00 0.00 C ATOM 39 C SER A 5 47.659 -14.165 8.117 1.00 0.00 C ATOM 40 O SER A 5 48.292 -14.682 7.196 1.00 0.00 O ATOM 41 CB SER A 5 46.892 -11.977 7.175 1.00 0.00 C ATOM 42 OG SER A 5 46.869 -10.570 7.339 1.00 0.00 O ATOM 0 H SER A 5 49.317 -11.615 7.556 1.00 0.00 H new ATOM 0 HA SER A 5 47.164 -12.427 9.259 1.00 0.00 H new ATOM 0 HB2 SER A 5 47.356 -12.227 6.221 1.00 0.00 H new ATOM 0 HB3 SER A 5 45.872 -12.359 7.143 1.00 0.00 H new ATOM 0 HG SER A 5 46.375 -10.162 6.598 1.00 0.00 H new ATOM 48 N SER A 6 46.944 -14.869 8.988 1.00 0.00 N ATOM 49 CA SER A 6 46.863 -16.323 8.913 1.00 0.00 C ATOM 50 C SER A 6 45.453 -16.806 9.238 1.00 0.00 C ATOM 51 O SER A 6 45.049 -16.840 10.400 1.00 0.00 O ATOM 52 CB SER A 6 47.868 -16.961 9.875 1.00 0.00 C ATOM 53 OG SER A 6 49.197 -16.610 9.531 1.00 0.00 O ATOM 0 H SER A 6 46.412 -14.456 9.754 1.00 0.00 H new ATOM 0 HA SER A 6 47.105 -16.624 7.894 1.00 0.00 H new ATOM 0 HB2 SER A 6 47.656 -16.638 10.894 1.00 0.00 H new ATOM 0 HB3 SER A 6 47.758 -18.045 9.854 1.00 0.00 H new ATOM 0 HG SER A 6 49.820 -17.029 10.161 1.00 0.00 H new ATOM 59 N GLY A 7 44.709 -17.180 8.202 1.00 0.00 N ATOM 60 CA GLY A 7 43.352 -17.656 8.397 1.00 0.00 C ATOM 61 C GLY A 7 42.426 -17.247 7.269 1.00 0.00 C ATOM 62 O GLY A 7 41.811 -16.182 7.318 1.00 0.00 O ATOM 0 H GLY A 7 45.022 -17.162 7.231 1.00 0.00 H new ATOM 0 HA2 GLY A 7 43.360 -18.743 8.480 1.00 0.00 H new ATOM 0 HA3 GLY A 7 42.966 -17.267 9.339 1.00 0.00 H new ATOM 66 N MET A 8 42.328 -18.093 6.249 1.00 0.00 N ATOM 67 CA MET A 8 41.470 -17.812 5.103 1.00 0.00 C ATOM 68 C MET A 8 40.485 -18.953 4.869 1.00 0.00 C ATOM 69 O MET A 8 40.668 -20.058 5.379 1.00 0.00 O ATOM 70 CB MET A 8 42.316 -17.588 3.849 1.00 0.00 C ATOM 71 CG MET A 8 42.726 -16.138 3.643 1.00 0.00 C ATOM 72 SD MET A 8 41.445 -15.164 2.830 1.00 0.00 S ATOM 73 CE MET A 8 41.471 -13.674 3.825 1.00 0.00 C ATOM 0 H MET A 8 42.832 -18.978 6.192 1.00 0.00 H new ATOM 0 HA MET A 8 40.904 -16.905 5.318 1.00 0.00 H new ATOM 0 HB2 MET A 8 43.212 -18.205 3.910 1.00 0.00 H new ATOM 0 HB3 MET A 8 41.755 -17.926 2.977 1.00 0.00 H new ATOM 0 HG2 MET A 8 42.960 -15.690 4.609 1.00 0.00 H new ATOM 0 HG3 MET A 8 43.637 -16.103 3.046 1.00 0.00 H new ATOM 0 HE1 MET A 8 40.730 -12.970 3.446 1.00 0.00 H new ATOM 0 HE2 MET A 8 41.238 -13.924 4.860 1.00 0.00 H new ATOM 0 HE3 MET A 8 42.461 -13.220 3.775 1.00 0.00 H new ATOM 83 N ALA A 9 39.440 -18.677 4.095 1.00 0.00 N ATOM 84 CA ALA A 9 38.428 -19.681 3.793 1.00 0.00 C ATOM 85 C ALA A 9 38.076 -19.676 2.309 1.00 0.00 C ATOM 86 O ALA A 9 37.846 -18.620 1.719 1.00 0.00 O ATOM 87 CB ALA A 9 37.182 -19.444 4.633 1.00 0.00 C ATOM 0 H ALA A 9 39.273 -17.767 3.666 1.00 0.00 H new ATOM 0 HA ALA A 9 38.838 -20.660 4.040 1.00 0.00 H new ATOM 0 HB1 ALA A 9 36.435 -20.201 4.397 1.00 0.00 H new ATOM 0 HB2 ALA A 9 37.439 -19.505 5.690 1.00 0.00 H new ATOM 0 HB3 ALA A 9 36.778 -18.455 4.414 1.00 0.00 H new ATOM 93 N SER A 10 38.037 -20.862 1.711 1.00 0.00 N ATOM 94 CA SER A 10 37.717 -20.994 0.294 1.00 0.00 C ATOM 95 C SER A 10 36.229 -20.764 0.049 1.00 0.00 C ATOM 96 O SER A 10 35.404 -21.640 0.304 1.00 0.00 O ATOM 97 CB SER A 10 38.122 -22.379 -0.215 1.00 0.00 C ATOM 98 OG SER A 10 37.574 -22.631 -1.498 1.00 0.00 O ATOM 0 H SER A 10 38.223 -21.746 2.185 1.00 0.00 H new ATOM 0 HA SER A 10 38.278 -20.236 -0.252 1.00 0.00 H new ATOM 0 HB2 SER A 10 39.209 -22.450 -0.260 1.00 0.00 H new ATOM 0 HB3 SER A 10 37.781 -23.141 0.486 1.00 0.00 H new ATOM 0 HG SER A 10 37.848 -23.521 -1.802 1.00 0.00 H new ATOM 104 N GLY A 11 35.894 -19.578 -0.449 1.00 0.00 N ATOM 105 CA GLY A 11 34.506 -19.252 -0.720 1.00 0.00 C ATOM 106 C GLY A 11 34.236 -17.762 -0.655 1.00 0.00 C ATOM 107 O GLY A 11 34.726 -17.076 0.241 1.00 0.00 O ATOM 0 H GLY A 11 36.559 -18.837 -0.670 1.00 0.00 H new ATOM 0 HA2 GLY A 11 34.235 -19.624 -1.708 1.00 0.00 H new ATOM 0 HA3 GLY A 11 33.868 -19.765 -0.000 1.00 0.00 H new ATOM 111 N GLN A 12 33.456 -17.261 -1.608 1.00 0.00 N ATOM 112 CA GLN A 12 33.125 -15.842 -1.656 1.00 0.00 C ATOM 113 C GLN A 12 31.970 -15.521 -0.714 1.00 0.00 C ATOM 114 O GLN A 12 31.185 -16.399 -0.355 1.00 0.00 O ATOM 115 CB GLN A 12 32.764 -15.429 -3.084 1.00 0.00 C ATOM 116 CG GLN A 12 31.414 -15.953 -3.546 1.00 0.00 C ATOM 117 CD GLN A 12 30.278 -15.000 -3.230 1.00 0.00 C ATOM 118 OE1 GLN A 12 30.495 -13.806 -3.017 1.00 0.00 O ATOM 119 NE2 GLN A 12 29.058 -15.522 -3.197 1.00 0.00 N ATOM 0 H GLN A 12 33.042 -17.817 -2.357 1.00 0.00 H new ATOM 0 HA GLN A 12 34.001 -15.279 -1.333 1.00 0.00 H new ATOM 0 HB2 GLN A 12 32.764 -14.341 -3.150 1.00 0.00 H new ATOM 0 HB3 GLN A 12 33.536 -15.789 -3.764 1.00 0.00 H new ATOM 0 HG2 GLN A 12 31.446 -16.130 -4.621 1.00 0.00 H new ATOM 0 HG3 GLN A 12 31.220 -16.914 -3.070 1.00 0.00 H new ATOM 0 HE21 GLN A 12 28.924 -16.516 -3.380 1.00 0.00 H new ATOM 0 HE22 GLN A 12 28.255 -14.929 -2.989 1.00 0.00 H new ATOM 128 N PHE A 13 31.872 -14.257 -0.315 1.00 0.00 N ATOM 129 CA PHE A 13 30.813 -13.820 0.587 1.00 0.00 C ATOM 130 C PHE A 13 29.512 -13.586 -0.175 1.00 0.00 C ATOM 131 O PHE A 13 29.443 -12.737 -1.063 1.00 0.00 O ATOM 132 CB PHE A 13 31.229 -12.539 1.313 1.00 0.00 C ATOM 133 CG PHE A 13 31.415 -11.363 0.397 1.00 0.00 C ATOM 134 CD1 PHE A 13 32.591 -11.205 -0.319 1.00 0.00 C ATOM 135 CD2 PHE A 13 30.414 -10.417 0.250 1.00 0.00 C ATOM 136 CE1 PHE A 13 32.765 -10.124 -1.162 1.00 0.00 C ATOM 137 CE2 PHE A 13 30.581 -9.334 -0.592 1.00 0.00 C ATOM 138 CZ PHE A 13 31.758 -9.188 -1.300 1.00 0.00 C ATOM 0 H PHE A 13 32.513 -13.518 -0.602 1.00 0.00 H new ATOM 0 HA PHE A 13 30.647 -14.608 1.321 1.00 0.00 H new ATOM 0 HB2 PHE A 13 30.473 -12.292 2.059 1.00 0.00 H new ATOM 0 HB3 PHE A 13 32.160 -12.721 1.850 1.00 0.00 H new ATOM 0 HD1 PHE A 13 33.380 -11.935 -0.217 1.00 0.00 H new ATOM 0 HD2 PHE A 13 29.491 -10.527 0.800 1.00 0.00 H new ATOM 0 HE1 PHE A 13 33.687 -10.011 -1.712 1.00 0.00 H new ATOM 0 HE2 PHE A 13 29.793 -8.603 -0.696 1.00 0.00 H new ATOM 0 HZ PHE A 13 31.891 -8.344 -1.960 1.00 0.00 H new ATOM 148 N VAL A 14 28.480 -14.346 0.180 1.00 0.00 N ATOM 149 CA VAL A 14 27.180 -14.222 -0.468 1.00 0.00 C ATOM 150 C VAL A 14 26.157 -13.589 0.468 1.00 0.00 C ATOM 151 O VAL A 14 26.186 -13.812 1.677 1.00 0.00 O ATOM 152 CB VAL A 14 26.654 -15.592 -0.936 1.00 0.00 C ATOM 153 CG1 VAL A 14 26.412 -16.506 0.256 1.00 0.00 C ATOM 154 CG2 VAL A 14 25.383 -15.423 -1.755 1.00 0.00 C ATOM 0 H VAL A 14 28.520 -15.054 0.913 1.00 0.00 H new ATOM 0 HA VAL A 14 27.319 -13.578 -1.337 1.00 0.00 H new ATOM 0 HB VAL A 14 27.409 -16.055 -1.571 1.00 0.00 H new ATOM 0 HG11 VAL A 14 26.041 -17.469 -0.094 1.00 0.00 H new ATOM 0 HG12 VAL A 14 27.346 -16.652 0.798 1.00 0.00 H new ATOM 0 HG13 VAL A 14 25.675 -16.052 0.919 1.00 0.00 H new ATOM 0 HG21 VAL A 14 25.025 -16.401 -2.077 1.00 0.00 H new ATOM 0 HG22 VAL A 14 24.619 -14.940 -1.146 1.00 0.00 H new ATOM 0 HG23 VAL A 14 25.593 -14.807 -2.629 1.00 0.00 H new ATOM 164 N ASN A 15 25.253 -12.799 -0.101 1.00 0.00 N ATOM 165 CA ASN A 15 24.219 -12.132 0.684 1.00 0.00 C ATOM 166 C ASN A 15 23.223 -13.144 1.242 1.00 0.00 C ATOM 167 O ASN A 15 23.258 -14.324 0.893 1.00 0.00 O ATOM 168 CB ASN A 15 23.486 -11.098 -0.174 1.00 0.00 C ATOM 169 CG ASN A 15 24.242 -9.787 -0.270 1.00 0.00 C ATOM 170 OD1 ASN A 15 23.728 -8.733 0.104 1.00 0.00 O ATOM 171 ND2 ASN A 15 25.469 -9.847 -0.773 1.00 0.00 N ATOM 0 H ASN A 15 25.215 -12.605 -1.102 1.00 0.00 H new ATOM 0 HA ASN A 15 24.702 -11.625 1.519 1.00 0.00 H new ATOM 0 HB2 ASN A 15 23.335 -11.502 -1.175 1.00 0.00 H new ATOM 0 HB3 ASN A 15 22.498 -10.915 0.248 1.00 0.00 H new ATOM 0 HD21 ASN A 15 26.026 -8.997 -0.862 1.00 0.00 H new ATOM 0 HD22 ASN A 15 25.855 -10.743 -1.070 1.00 0.00 H new ATOM 178 N LYS A 16 22.335 -12.674 2.112 1.00 0.00 N ATOM 179 CA LYS A 16 21.327 -13.535 2.718 1.00 0.00 C ATOM 180 C LYS A 16 19.933 -13.182 2.211 1.00 0.00 C ATOM 181 O LYS A 16 19.735 -12.141 1.582 1.00 0.00 O ATOM 182 CB LYS A 16 21.373 -13.413 4.243 1.00 0.00 C ATOM 183 CG LYS A 16 22.484 -14.227 4.885 1.00 0.00 C ATOM 184 CD LYS A 16 22.188 -15.716 4.829 1.00 0.00 C ATOM 185 CE LYS A 16 23.289 -16.528 5.493 1.00 0.00 C ATOM 186 NZ LYS A 16 23.430 -17.878 4.879 1.00 0.00 N ATOM 0 H LYS A 16 22.293 -11.700 2.413 1.00 0.00 H new ATOM 0 HA LYS A 16 21.547 -14.564 2.435 1.00 0.00 H new ATOM 0 HB2 LYS A 16 21.501 -12.364 4.512 1.00 0.00 H new ATOM 0 HB3 LYS A 16 20.415 -13.733 4.654 1.00 0.00 H new ATOM 0 HG2 LYS A 16 23.426 -14.023 4.376 1.00 0.00 H new ATOM 0 HG3 LYS A 16 22.609 -13.919 5.923 1.00 0.00 H new ATOM 0 HD2 LYS A 16 21.237 -15.918 5.323 1.00 0.00 H new ATOM 0 HD3 LYS A 16 22.080 -16.028 3.790 1.00 0.00 H new ATOM 0 HE2 LYS A 16 24.235 -15.992 5.412 1.00 0.00 H new ATOM 0 HE3 LYS A 16 23.072 -16.633 6.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 24.190 -18.400 5.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 22.536 -18.400 4.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 23.662 -17.778 3.870 1.00 0.00 H new ATOM 200 N LEU A 17 18.969 -14.052 2.490 1.00 0.00 N ATOM 201 CA LEU A 17 17.591 -13.830 2.064 1.00 0.00 C ATOM 202 C LEU A 17 16.857 -12.921 3.044 1.00 0.00 C ATOM 203 O LEU A 17 16.719 -13.247 4.222 1.00 0.00 O ATOM 204 CB LEU A 17 16.855 -15.165 1.939 1.00 0.00 C ATOM 205 CG LEU A 17 15.547 -15.139 1.147 1.00 0.00 C ATOM 206 CD1 LEU A 17 14.537 -14.219 1.815 1.00 0.00 C ATOM 207 CD2 LEU A 17 15.802 -14.701 -0.288 1.00 0.00 C ATOM 0 H LEU A 17 19.116 -14.918 3.009 1.00 0.00 H new ATOM 0 HA LEU A 17 17.612 -13.340 1.090 1.00 0.00 H new ATOM 0 HB2 LEU A 17 17.526 -15.884 1.470 1.00 0.00 H new ATOM 0 HB3 LEU A 17 16.642 -15.535 2.942 1.00 0.00 H new ATOM 0 HG LEU A 17 15.134 -16.148 1.131 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.613 -14.213 1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 17 14.332 -14.576 2.824 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.942 -13.208 1.863 1.00 0.00 H new ATOM 0 HD21 LEU A 17 14.861 -14.688 -0.837 1.00 0.00 H new ATOM 0 HD22 LEU A 17 16.238 -13.702 -0.291 1.00 0.00 H new ATOM 0 HD23 LEU A 17 16.491 -15.399 -0.765 1.00 0.00 H new ATOM 219 N GLN A 18 16.387 -11.781 2.547 1.00 0.00 N ATOM 220 CA GLN A 18 15.666 -10.826 3.380 1.00 0.00 C ATOM 221 C GLN A 18 14.219 -10.685 2.917 1.00 0.00 C ATOM 222 O GLN A 18 13.924 -10.804 1.729 1.00 0.00 O ATOM 223 CB GLN A 18 16.359 -9.463 3.347 1.00 0.00 C ATOM 224 CG GLN A 18 15.570 -8.362 4.037 1.00 0.00 C ATOM 225 CD GLN A 18 15.821 -8.313 5.531 1.00 0.00 C ATOM 226 OE1 GLN A 18 16.939 -8.049 5.976 1.00 0.00 O ATOM 227 NE2 GLN A 18 14.780 -8.567 6.315 1.00 0.00 N ATOM 0 H GLN A 18 16.492 -11.497 1.573 1.00 0.00 H new ATOM 0 HA GLN A 18 15.667 -11.201 4.403 1.00 0.00 H new ATOM 0 HB2 GLN A 18 17.336 -9.550 3.822 1.00 0.00 H new ATOM 0 HB3 GLN A 18 16.533 -9.178 2.309 1.00 0.00 H new ATOM 0 HG2 GLN A 18 15.834 -7.401 3.596 1.00 0.00 H new ATOM 0 HG3 GLN A 18 14.506 -8.515 3.856 1.00 0.00 H new ATOM 0 HE21 GLN A 18 13.872 -8.781 5.903 1.00 0.00 H new ATOM 0 HE22 GLN A 18 14.889 -8.548 7.329 1.00 0.00 H new ATOM 236 N GLU A 19 13.322 -10.431 3.865 1.00 0.00 N ATOM 237 CA GLU A 19 11.906 -10.275 3.554 1.00 0.00 C ATOM 238 C GLU A 19 11.641 -8.928 2.888 1.00 0.00 C ATOM 239 O GLU A 19 12.020 -7.881 3.411 1.00 0.00 O ATOM 240 CB GLU A 19 11.065 -10.403 4.825 1.00 0.00 C ATOM 241 CG GLU A 19 9.628 -10.823 4.564 1.00 0.00 C ATOM 242 CD GLU A 19 8.859 -11.098 5.842 1.00 0.00 C ATOM 243 OE1 GLU A 19 8.319 -10.137 6.429 1.00 0.00 O ATOM 244 OE2 GLU A 19 8.798 -12.275 6.255 1.00 0.00 O ATOM 0 H GLU A 19 13.551 -10.329 4.854 1.00 0.00 H new ATOM 0 HA GLU A 19 11.623 -11.066 2.859 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.533 -11.131 5.488 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.066 -9.447 5.349 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.121 -10.039 4.001 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.622 -11.718 3.941 1.00 0.00 H new ATOM 251 N GLU A 20 10.987 -8.965 1.731 1.00 0.00 N ATOM 252 CA GLU A 20 10.672 -7.747 0.993 1.00 0.00 C ATOM 253 C GLU A 20 9.383 -7.913 0.194 1.00 0.00 C ATOM 254 O GLU A 20 9.178 -8.928 -0.471 1.00 0.00 O ATOM 255 CB GLU A 20 11.823 -7.381 0.054 1.00 0.00 C ATOM 256 CG GLU A 20 13.149 -7.176 0.768 1.00 0.00 C ATOM 257 CD GLU A 20 14.234 -6.657 -0.155 1.00 0.00 C ATOM 258 OE1 GLU A 20 14.004 -5.623 -0.817 1.00 0.00 O ATOM 259 OE2 GLU A 20 15.312 -7.284 -0.216 1.00 0.00 O ATOM 0 H GLU A 20 10.665 -9.824 1.285 1.00 0.00 H new ATOM 0 HA GLU A 20 10.531 -6.942 1.714 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.939 -8.169 -0.690 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.565 -6.469 -0.485 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.010 -6.474 1.590 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.471 -8.120 1.206 1.00 0.00 H new ATOM 266 N VAL A 21 8.516 -6.908 0.266 1.00 0.00 N ATOM 267 CA VAL A 21 7.246 -6.941 -0.451 1.00 0.00 C ATOM 268 C VAL A 21 7.006 -5.638 -1.203 1.00 0.00 C ATOM 269 O VAL A 21 7.798 -4.700 -1.110 1.00 0.00 O ATOM 270 CB VAL A 21 6.067 -7.193 0.508 1.00 0.00 C ATOM 271 CG1 VAL A 21 6.131 -8.603 1.075 1.00 0.00 C ATOM 272 CG2 VAL A 21 6.060 -6.160 1.625 1.00 0.00 C ATOM 0 H VAL A 21 8.670 -6.061 0.813 1.00 0.00 H new ATOM 0 HA VAL A 21 7.306 -7.763 -1.165 1.00 0.00 H new ATOM 0 HB VAL A 21 5.137 -7.095 -0.053 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.290 -8.762 1.750 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.084 -9.325 0.260 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.065 -8.733 1.622 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.221 -6.353 2.293 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.993 -6.224 2.186 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.962 -5.162 1.197 1.00 0.00 H new ATOM 282 N ILE A 22 5.907 -5.585 -1.949 1.00 0.00 N ATOM 283 CA ILE A 22 5.561 -4.396 -2.717 1.00 0.00 C ATOM 284 C ILE A 22 4.096 -4.022 -2.522 1.00 0.00 C ATOM 285 O ILE A 22 3.241 -4.890 -2.345 1.00 0.00 O ATOM 286 CB ILE A 22 5.832 -4.597 -4.220 1.00 0.00 C ATOM 287 CG1 ILE A 22 7.320 -4.864 -4.461 1.00 0.00 C ATOM 288 CG2 ILE A 22 5.372 -3.380 -5.008 1.00 0.00 C ATOM 289 CD1 ILE A 22 8.209 -3.693 -4.103 1.00 0.00 C ATOM 0 H ILE A 22 5.241 -6.352 -2.037 1.00 0.00 H new ATOM 0 HA ILE A 22 6.192 -3.588 -2.347 1.00 0.00 H new ATOM 0 HB ILE A 22 5.267 -5.463 -4.564 1.00 0.00 H new ATOM 0 HG12 ILE A 22 7.624 -5.733 -3.877 1.00 0.00 H new ATOM 0 HG13 ILE A 22 7.470 -5.117 -5.511 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.570 -3.537 -6.068 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.303 -3.231 -4.857 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.913 -2.498 -4.664 1.00 0.00 H new ATOM 0 HD11 ILE A 22 9.249 -3.953 -4.299 1.00 0.00 H new ATOM 0 HD12 ILE A 22 7.931 -2.828 -4.705 1.00 0.00 H new ATOM 0 HD13 ILE A 22 8.088 -3.454 -3.047 1.00 0.00 H new ATOM 301 N CYS A 23 3.813 -2.724 -2.556 1.00 0.00 N ATOM 302 CA CYS A 23 2.450 -2.234 -2.385 1.00 0.00 C ATOM 303 C CYS A 23 1.645 -2.403 -3.670 1.00 0.00 C ATOM 304 O CYS A 23 1.995 -1.874 -4.726 1.00 0.00 O ATOM 305 CB CYS A 23 2.465 -0.761 -1.969 1.00 0.00 C ATOM 306 SG CYS A 23 0.908 -0.185 -1.220 1.00 0.00 S ATOM 0 H CYS A 23 4.509 -1.993 -2.700 1.00 0.00 H new ATOM 0 HA CYS A 23 1.974 -2.822 -1.600 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.277 -0.603 -1.260 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.683 -0.149 -2.845 1.00 0.00 H new ATOM 311 N PRO A 24 0.540 -3.158 -3.581 1.00 0.00 N ATOM 312 CA PRO A 24 -0.338 -3.414 -4.726 1.00 0.00 C ATOM 313 C PRO A 24 -1.105 -2.169 -5.158 1.00 0.00 C ATOM 314 O PRO A 24 -1.862 -2.200 -6.129 1.00 0.00 O ATOM 315 CB PRO A 24 -1.303 -4.480 -4.202 1.00 0.00 C ATOM 316 CG PRO A 24 -1.318 -4.284 -2.725 1.00 0.00 C ATOM 317 CD PRO A 24 0.063 -3.818 -2.354 1.00 0.00 C ATOM 0 HA PRO A 24 0.223 -3.723 -5.608 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -2.299 -4.356 -4.628 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.966 -5.483 -4.465 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -2.069 -3.548 -2.437 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.568 -5.212 -2.211 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.042 -3.129 -1.509 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.706 -4.651 -2.070 1.00 0.00 H new ATOM 325 N ILE A 25 -0.904 -1.074 -4.433 1.00 0.00 N ATOM 326 CA ILE A 25 -1.576 0.182 -4.743 1.00 0.00 C ATOM 327 C ILE A 25 -0.669 1.105 -5.551 1.00 0.00 C ATOM 328 O ILE A 25 -0.957 1.420 -6.706 1.00 0.00 O ATOM 329 CB ILE A 25 -2.024 0.912 -3.463 1.00 0.00 C ATOM 330 CG1 ILE A 25 -3.052 0.071 -2.704 1.00 0.00 C ATOM 331 CG2 ILE A 25 -2.598 2.278 -3.807 1.00 0.00 C ATOM 332 CD1 ILE A 25 -3.398 0.627 -1.340 1.00 0.00 C ATOM 0 H ILE A 25 -0.281 -1.031 -3.627 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.456 -0.068 -5.335 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.155 1.056 -2.820 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.962 -0.001 -3.300 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.666 -0.942 -2.588 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.910 2.782 -2.893 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.838 2.876 -4.310 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.458 2.156 -4.466 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.132 -0.020 -0.859 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.498 0.673 -0.727 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.814 1.629 -1.450 1.00 0.00 H new ATOM 344 N CYS A 26 0.428 1.534 -4.936 1.00 0.00 N ATOM 345 CA CYS A 26 1.378 2.420 -5.598 1.00 0.00 C ATOM 346 C CYS A 26 2.416 1.619 -6.379 1.00 0.00 C ATOM 347 O CYS A 26 3.140 2.165 -7.212 1.00 0.00 O ATOM 348 CB CYS A 26 2.076 3.313 -4.569 1.00 0.00 C ATOM 349 SG CYS A 26 2.636 2.431 -3.077 1.00 0.00 S ATOM 0 H CYS A 26 0.681 1.282 -3.980 1.00 0.00 H new ATOM 0 HA CYS A 26 0.826 3.046 -6.299 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.936 3.789 -5.041 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.393 4.109 -4.273 1.00 0.00 H new ATOM 354 N LEU A 27 2.483 0.321 -6.104 1.00 0.00 N ATOM 355 CA LEU A 27 3.431 -0.557 -6.780 1.00 0.00 C ATOM 356 C LEU A 27 4.867 -0.131 -6.494 1.00 0.00 C ATOM 357 O LEU A 27 5.713 -0.123 -7.388 1.00 0.00 O ATOM 358 CB LEU A 27 3.176 -0.550 -8.289 1.00 0.00 C ATOM 359 CG LEU A 27 1.872 -1.199 -8.752 1.00 0.00 C ATOM 360 CD1 LEU A 27 1.622 -0.905 -10.223 1.00 0.00 C ATOM 361 CD2 LEU A 27 1.906 -2.700 -8.505 1.00 0.00 C ATOM 0 H LEU A 27 1.892 -0.147 -5.417 1.00 0.00 H new ATOM 0 HA LEU A 27 3.288 -1.568 -6.398 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.187 0.484 -8.634 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.006 -1.058 -8.780 1.00 0.00 H new ATOM 0 HG LEU A 27 1.052 -0.774 -8.173 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.689 -1.375 -10.535 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.553 0.173 -10.372 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.445 -1.301 -10.818 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.969 -3.145 -8.841 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.736 -3.141 -9.057 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.037 -2.891 -7.440 1.00 0.00 H new ATOM 373 N ASP A 28 5.136 0.221 -5.241 1.00 0.00 N ATOM 374 CA ASP A 28 6.471 0.645 -4.835 1.00 0.00 C ATOM 375 C ASP A 28 6.837 0.059 -3.475 1.00 0.00 C ATOM 376 O ASP A 28 5.961 -0.279 -2.678 1.00 0.00 O ATOM 377 CB ASP A 28 6.551 2.171 -4.785 1.00 0.00 C ATOM 378 CG ASP A 28 6.625 2.793 -6.166 1.00 0.00 C ATOM 379 OD1 ASP A 28 5.961 2.273 -7.087 1.00 0.00 O ATOM 380 OD2 ASP A 28 7.346 3.799 -6.325 1.00 0.00 O ATOM 0 H ASP A 28 4.447 0.221 -4.489 1.00 0.00 H new ATOM 0 HA ASP A 28 7.183 0.276 -5.573 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.678 2.561 -4.261 1.00 0.00 H new ATOM 0 HB3 ASP A 28 7.428 2.467 -4.209 1.00 0.00 H new ATOM 385 N ILE A 29 8.135 -0.060 -3.218 1.00 0.00 N ATOM 386 CA ILE A 29 8.616 -0.605 -1.954 1.00 0.00 C ATOM 387 C ILE A 29 7.990 0.121 -0.769 1.00 0.00 C ATOM 388 O ILE A 29 7.981 1.352 -0.715 1.00 0.00 O ATOM 389 CB ILE A 29 10.150 -0.510 -1.849 1.00 0.00 C ATOM 390 CG1 ILE A 29 10.810 -1.270 -3.001 1.00 0.00 C ATOM 391 CG2 ILE A 29 10.623 -1.054 -0.509 1.00 0.00 C ATOM 392 CD1 ILE A 29 10.950 -0.450 -4.264 1.00 0.00 C ATOM 0 H ILE A 29 8.872 0.213 -3.868 1.00 0.00 H new ATOM 0 HA ILE A 29 8.322 -1.654 -1.930 1.00 0.00 H new ATOM 0 HB ILE A 29 10.440 0.538 -1.917 1.00 0.00 H new ATOM 0 HG12 ILE A 29 11.797 -1.607 -2.685 1.00 0.00 H new ATOM 0 HG13 ILE A 29 10.224 -2.162 -3.220 1.00 0.00 H new ATOM 0 HG21 ILE A 29 11.709 -0.980 -0.449 1.00 0.00 H new ATOM 0 HG22 ILE A 29 10.175 -0.474 0.298 1.00 0.00 H new ATOM 0 HG23 ILE A 29 10.324 -2.098 -0.414 1.00 0.00 H new ATOM 0 HD11 ILE A 29 11.426 -1.052 -5.038 1.00 0.00 H new ATOM 0 HD12 ILE A 29 9.964 -0.135 -4.604 1.00 0.00 H new ATOM 0 HD13 ILE A 29 11.562 0.429 -4.061 1.00 0.00 H new ATOM 404 N LEU A 30 7.470 -0.648 0.181 1.00 0.00 N ATOM 405 CA LEU A 30 6.843 -0.079 1.369 1.00 0.00 C ATOM 406 C LEU A 30 7.823 -0.044 2.538 1.00 0.00 C ATOM 407 O LEU A 30 8.083 -1.066 3.172 1.00 0.00 O ATOM 408 CB LEU A 30 5.603 -0.887 1.753 1.00 0.00 C ATOM 409 CG LEU A 30 5.663 -2.387 1.462 1.00 0.00 C ATOM 410 CD1 LEU A 30 4.719 -3.147 2.381 1.00 0.00 C ATOM 411 CD2 LEU A 30 5.327 -2.662 0.004 1.00 0.00 C ATOM 0 H LEU A 30 7.470 -1.668 0.152 1.00 0.00 H new ATOM 0 HA LEU A 30 6.545 0.944 1.137 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.421 -0.751 2.819 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.744 -0.469 1.227 1.00 0.00 H new ATOM 0 HG LEU A 30 6.679 -2.734 1.651 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.775 -4.213 2.159 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.006 -2.976 3.419 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.699 -2.797 2.224 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.375 -3.735 -0.184 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.322 -2.300 -0.212 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.043 -2.149 -0.638 1.00 0.00 H new ATOM 423 N GLN A 31 8.361 1.139 2.817 1.00 0.00 N ATOM 424 CA GLN A 31 9.310 1.307 3.911 1.00 0.00 C ATOM 425 C GLN A 31 8.951 0.405 5.087 1.00 0.00 C ATOM 426 O GLN A 31 9.706 -0.500 5.444 1.00 0.00 O ATOM 427 CB GLN A 31 9.345 2.767 4.365 1.00 0.00 C ATOM 428 CG GLN A 31 10.517 3.093 5.277 1.00 0.00 C ATOM 429 CD GLN A 31 11.785 3.407 4.507 1.00 0.00 C ATOM 430 OE1 GLN A 31 11.779 4.219 3.582 1.00 0.00 O ATOM 431 NE2 GLN A 31 12.882 2.763 4.887 1.00 0.00 N ATOM 0 H GLN A 31 8.156 1.995 2.301 1.00 0.00 H new ATOM 0 HA GLN A 31 10.298 1.023 3.548 1.00 0.00 H new ATOM 0 HB2 GLN A 31 9.389 3.411 3.487 1.00 0.00 H new ATOM 0 HB3 GLN A 31 8.415 3.000 4.885 1.00 0.00 H new ATOM 0 HG2 GLN A 31 10.258 3.945 5.905 1.00 0.00 H new ATOM 0 HG3 GLN A 31 10.700 2.250 5.943 1.00 0.00 H new ATOM 0 HE21 GLN A 31 12.841 2.098 5.659 1.00 0.00 H new ATOM 0 HE22 GLN A 31 13.766 2.933 4.407 1.00 0.00 H new ATOM 440 N LYS A 32 7.792 0.657 5.687 1.00 0.00 N ATOM 441 CA LYS A 32 7.331 -0.132 6.823 1.00 0.00 C ATOM 442 C LYS A 32 6.215 -1.085 6.406 1.00 0.00 C ATOM 443 O LYS A 32 5.067 -0.687 6.208 1.00 0.00 O ATOM 444 CB LYS A 32 6.838 0.788 7.943 1.00 0.00 C ATOM 445 CG LYS A 32 7.880 1.789 8.410 1.00 0.00 C ATOM 446 CD LYS A 32 7.500 2.407 9.745 1.00 0.00 C ATOM 447 CE LYS A 32 8.001 3.839 9.860 1.00 0.00 C ATOM 448 NZ LYS A 32 9.489 3.909 9.837 1.00 0.00 N ATOM 0 H LYS A 32 7.155 1.402 5.405 1.00 0.00 H new ATOM 0 HA LYS A 32 8.171 -0.722 7.189 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.957 1.328 7.597 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.526 0.179 8.791 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.847 1.294 8.499 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.992 2.575 7.663 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.416 2.389 9.860 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.916 1.809 10.556 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.597 4.432 9.040 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.631 4.280 10.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.793 4.893 9.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.876 3.309 10.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.838 3.574 8.916 1.00 0.00 H new ATOM 462 N PRO A 33 6.557 -2.375 6.271 1.00 0.00 N ATOM 463 CA PRO A 33 5.598 -3.411 5.878 1.00 0.00 C ATOM 464 C PRO A 33 4.573 -3.696 6.971 1.00 0.00 C ATOM 465 O PRO A 33 4.859 -4.409 7.934 1.00 0.00 O ATOM 466 CB PRO A 33 6.481 -4.639 5.639 1.00 0.00 C ATOM 467 CG PRO A 33 7.687 -4.408 6.482 1.00 0.00 C ATOM 468 CD PRO A 33 7.907 -2.921 6.491 1.00 0.00 C ATOM 0 HA PRO A 33 5.011 -3.115 5.008 1.00 0.00 H new ATOM 0 HB2 PRO A 33 5.968 -5.557 5.925 1.00 0.00 H new ATOM 0 HB3 PRO A 33 6.747 -4.737 4.586 1.00 0.00 H new ATOM 0 HG2 PRO A 33 7.535 -4.786 7.493 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.554 -4.928 6.074 1.00 0.00 H new ATOM 0 HD2 PRO A 33 8.328 -2.583 7.438 1.00 0.00 H new ATOM 0 HD3 PRO A 33 8.598 -2.612 5.707 1.00 0.00 H new ATOM 476 N VAL A 34 3.378 -3.136 6.815 1.00 0.00 N ATOM 477 CA VAL A 34 2.309 -3.332 7.788 1.00 0.00 C ATOM 478 C VAL A 34 1.371 -4.453 7.356 1.00 0.00 C ATOM 479 O VAL A 34 0.573 -4.289 6.432 1.00 0.00 O ATOM 480 CB VAL A 34 1.492 -2.042 7.990 1.00 0.00 C ATOM 481 CG1 VAL A 34 0.365 -2.275 8.985 1.00 0.00 C ATOM 482 CG2 VAL A 34 2.394 -0.907 8.449 1.00 0.00 C ATOM 0 H VAL A 34 3.125 -2.543 6.024 1.00 0.00 H new ATOM 0 HA VAL A 34 2.784 -3.604 8.731 1.00 0.00 H new ATOM 0 HB VAL A 34 1.049 -1.759 7.035 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.202 -1.353 9.115 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.295 -3.057 8.610 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.784 -2.582 9.943 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.800 -0.003 8.587 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.867 -1.177 9.393 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.162 -0.725 7.697 1.00 0.00 H new ATOM 492 N THR A 35 1.472 -5.595 8.030 1.00 0.00 N ATOM 493 CA THR A 35 0.633 -6.744 7.715 1.00 0.00 C ATOM 494 C THR A 35 -0.735 -6.624 8.377 1.00 0.00 C ATOM 495 O THR A 35 -0.853 -6.715 9.600 1.00 0.00 O ATOM 496 CB THR A 35 1.294 -8.061 8.164 1.00 0.00 C ATOM 497 OG1 THR A 35 2.648 -8.113 7.700 1.00 0.00 O ATOM 498 CG2 THR A 35 0.525 -9.261 7.633 1.00 0.00 C ATOM 0 H THR A 35 2.127 -5.748 8.797 1.00 0.00 H new ATOM 0 HA THR A 35 0.509 -6.758 6.632 1.00 0.00 H new ATOM 0 HB THR A 35 1.282 -8.094 9.253 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.656 -8.260 6.731 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.011 -10.179 7.963 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.497 -9.235 8.011 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.509 -9.230 6.544 1.00 0.00 H new ATOM 506 N ILE A 36 -1.765 -6.420 7.563 1.00 0.00 N ATOM 507 CA ILE A 36 -3.125 -6.290 8.071 1.00 0.00 C ATOM 508 C ILE A 36 -3.739 -7.656 8.356 1.00 0.00 C ATOM 509 O ILE A 36 -3.304 -8.670 7.809 1.00 0.00 O ATOM 510 CB ILE A 36 -4.026 -5.532 7.079 1.00 0.00 C ATOM 511 CG1 ILE A 36 -3.507 -5.704 5.650 1.00 0.00 C ATOM 512 CG2 ILE A 36 -4.097 -4.057 7.448 1.00 0.00 C ATOM 513 CD1 ILE A 36 -4.454 -5.177 4.595 1.00 0.00 C ATOM 0 H ILE A 36 -1.684 -6.341 6.549 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.062 -5.722 8.999 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.031 -5.949 7.133 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.550 -5.191 5.556 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.322 -6.762 5.464 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.738 -3.535 6.737 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.508 -3.953 8.452 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.096 -3.626 7.419 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.021 -5.332 3.607 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.404 -5.707 4.662 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.620 -4.112 4.755 1.00 0.00 H new ATOM 525 N ASP A 37 -4.753 -7.676 9.214 1.00 0.00 N ATOM 526 CA ASP A 37 -5.430 -8.918 9.570 1.00 0.00 C ATOM 527 C ASP A 37 -5.908 -9.653 8.322 1.00 0.00 C ATOM 528 O ASP A 37 -6.250 -10.835 8.377 1.00 0.00 O ATOM 529 CB ASP A 37 -6.615 -8.631 10.493 1.00 0.00 C ATOM 530 CG ASP A 37 -7.123 -9.880 11.187 1.00 0.00 C ATOM 531 OD1 ASP A 37 -6.334 -10.518 11.915 1.00 0.00 O ATOM 532 OD2 ASP A 37 -8.311 -10.218 11.002 1.00 0.00 O ATOM 0 H ASP A 37 -5.125 -6.846 9.676 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.717 -9.555 10.094 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.319 -7.897 11.243 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.424 -8.186 9.914 1.00 0.00 H new ATOM 537 N CYS A 38 -5.929 -8.946 7.197 1.00 0.00 N ATOM 538 CA CYS A 38 -6.367 -9.530 5.935 1.00 0.00 C ATOM 539 C CYS A 38 -5.351 -10.549 5.426 1.00 0.00 C ATOM 540 O CYS A 38 -5.700 -11.479 4.699 1.00 0.00 O ATOM 541 CB CYS A 38 -6.575 -8.435 4.887 1.00 0.00 C ATOM 542 SG CYS A 38 -5.075 -8.014 3.943 1.00 0.00 S ATOM 0 H CYS A 38 -5.648 -7.968 7.134 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.314 -10.042 6.109 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.351 -8.755 4.192 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.943 -7.537 5.383 1.00 0.00 H new ATOM 547 N GLY A 39 -4.093 -10.367 5.814 1.00 0.00 N ATOM 548 CA GLY A 39 -3.046 -11.278 5.389 1.00 0.00 C ATOM 549 C GLY A 39 -1.977 -10.588 4.564 1.00 0.00 C ATOM 550 O GLY A 39 -0.784 -10.760 4.813 1.00 0.00 O ATOM 0 H GLY A 39 -3.780 -9.605 6.415 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.586 -11.733 6.266 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.487 -12.086 4.805 1.00 0.00 H new ATOM 554 N HIS A 40 -2.406 -9.807 3.578 1.00 0.00 N ATOM 555 CA HIS A 40 -1.476 -9.089 2.713 1.00 0.00 C ATOM 556 C HIS A 40 -0.876 -7.888 3.437 1.00 0.00 C ATOM 557 O HIS A 40 -1.266 -7.570 4.560 1.00 0.00 O ATOM 558 CB HIS A 40 -2.184 -8.629 1.438 1.00 0.00 C ATOM 559 CG HIS A 40 -3.019 -9.696 0.799 1.00 0.00 C ATOM 560 ND1 HIS A 40 -4.390 -9.608 0.681 1.00 0.00 N ATOM 561 CD2 HIS A 40 -2.670 -10.878 0.240 1.00 0.00 C ATOM 562 CE1 HIS A 40 -4.848 -10.691 0.078 1.00 0.00 C ATOM 563 NE2 HIS A 40 -3.824 -11.477 -0.200 1.00 0.00 N ATOM 0 H HIS A 40 -3.390 -9.655 3.358 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.668 -9.770 2.446 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -2.818 -7.774 1.673 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -1.438 -8.285 0.722 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.670 -11.276 0.156 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -5.883 -10.898 -0.149 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -3.881 -12.382 -0.666 1.00 0.00 H new ATOM 571 N ASN A 41 0.075 -7.225 2.787 1.00 0.00 N ATOM 572 CA ASN A 41 0.729 -6.059 3.370 1.00 0.00 C ATOM 573 C ASN A 41 0.556 -4.834 2.477 1.00 0.00 C ATOM 574 O ASN A 41 0.146 -4.948 1.322 1.00 0.00 O ATOM 575 CB ASN A 41 2.217 -6.340 3.587 1.00 0.00 C ATOM 576 CG ASN A 41 2.460 -7.646 4.317 1.00 0.00 C ATOM 577 OD1 ASN A 41 1.794 -7.949 5.308 1.00 0.00 O ATOM 578 ND2 ASN A 41 3.416 -8.428 3.830 1.00 0.00 N ATOM 0 H ASN A 41 0.410 -7.475 1.857 1.00 0.00 H new ATOM 0 HA ASN A 41 0.260 -5.853 4.332 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.723 -6.367 2.622 1.00 0.00 H new ATOM 0 HB3 ASN A 41 2.659 -5.522 4.156 1.00 0.00 H new ATOM 0 HD21 ASN A 41 3.624 -9.320 4.279 1.00 0.00 H new ATOM 0 HD22 ASN A 41 3.943 -8.137 3.007 1.00 0.00 H new ATOM 585 N PHE A 42 0.871 -3.663 3.021 1.00 0.00 N ATOM 586 CA PHE A 42 0.750 -2.417 2.274 1.00 0.00 C ATOM 587 C PHE A 42 1.726 -1.370 2.802 1.00 0.00 C ATOM 588 O PHE A 42 2.344 -1.553 3.851 1.00 0.00 O ATOM 589 CB PHE A 42 -0.682 -1.884 2.359 1.00 0.00 C ATOM 590 CG PHE A 42 -1.681 -2.728 1.620 1.00 0.00 C ATOM 591 CD1 PHE A 42 -2.075 -3.958 2.123 1.00 0.00 C ATOM 592 CD2 PHE A 42 -2.225 -2.292 0.423 1.00 0.00 C ATOM 593 CE1 PHE A 42 -2.993 -4.737 1.444 1.00 0.00 C ATOM 594 CE2 PHE A 42 -3.144 -3.067 -0.260 1.00 0.00 C ATOM 595 CZ PHE A 42 -3.529 -4.290 0.252 1.00 0.00 C ATOM 0 H PHE A 42 1.212 -3.551 3.976 1.00 0.00 H new ATOM 0 HA PHE A 42 0.993 -2.622 1.231 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -0.976 -1.821 3.407 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.708 -0.870 1.959 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.660 -4.312 3.055 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.928 -1.336 0.019 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.291 -5.694 1.845 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.560 -2.716 -1.193 1.00 0.00 H new ATOM 0 HZ PHE A 42 -4.248 -4.896 -0.279 1.00 0.00 H new ATOM 605 N CYS A 43 1.861 -0.271 2.066 1.00 0.00 N ATOM 606 CA CYS A 43 2.762 0.806 2.458 1.00 0.00 C ATOM 607 C CYS A 43 2.032 1.846 3.303 1.00 0.00 C ATOM 608 O CYS A 43 0.890 2.206 3.015 1.00 0.00 O ATOM 609 CB CYS A 43 3.363 1.472 1.218 1.00 0.00 C ATOM 610 SG CYS A 43 2.397 2.881 0.589 1.00 0.00 S ATOM 0 H CYS A 43 1.358 -0.103 1.195 1.00 0.00 H new ATOM 0 HA CYS A 43 3.564 0.375 3.057 1.00 0.00 H new ATOM 0 HB2 CYS A 43 4.371 1.813 1.454 1.00 0.00 H new ATOM 0 HB3 CYS A 43 3.456 0.727 0.428 1.00 0.00 H new ATOM 615 N LEU A 44 2.699 2.324 4.348 1.00 0.00 N ATOM 616 CA LEU A 44 2.115 3.323 5.236 1.00 0.00 C ATOM 617 C LEU A 44 1.536 4.488 4.440 1.00 0.00 C ATOM 618 O LEU A 44 0.418 4.935 4.697 1.00 0.00 O ATOM 619 CB LEU A 44 3.168 3.837 6.220 1.00 0.00 C ATOM 620 CG LEU A 44 2.654 4.244 7.601 1.00 0.00 C ATOM 621 CD1 LEU A 44 1.574 5.308 7.476 1.00 0.00 C ATOM 622 CD2 LEU A 44 2.125 3.031 8.353 1.00 0.00 C ATOM 0 H LEU A 44 3.644 2.036 4.601 1.00 0.00 H new ATOM 0 HA LEU A 44 1.306 2.850 5.792 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.924 3.062 6.350 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.666 4.697 5.772 1.00 0.00 H new ATOM 0 HG LEU A 44 3.485 4.663 8.168 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.220 5.585 8.469 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.985 6.187 6.979 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.742 4.915 6.891 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.763 3.340 9.334 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.307 2.582 7.790 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.925 2.301 8.475 1.00 0.00 H new ATOM 634 N LYS A 45 2.302 4.974 3.469 1.00 0.00 N ATOM 635 CA LYS A 45 1.865 6.084 2.631 1.00 0.00 C ATOM 636 C LYS A 45 0.483 5.812 2.046 1.00 0.00 C ATOM 637 O LYS A 45 -0.267 6.740 1.739 1.00 0.00 O ATOM 638 CB LYS A 45 2.870 6.325 1.503 1.00 0.00 C ATOM 639 CG LYS A 45 4.220 6.825 1.988 1.00 0.00 C ATOM 640 CD LYS A 45 5.309 6.576 0.958 1.00 0.00 C ATOM 641 CE LYS A 45 5.746 5.119 0.950 1.00 0.00 C ATOM 642 NZ LYS A 45 6.861 4.869 1.905 1.00 0.00 N ATOM 0 H LYS A 45 3.230 4.616 3.243 1.00 0.00 H new ATOM 0 HA LYS A 45 1.807 6.977 3.254 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.013 5.396 0.950 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.453 7.050 0.805 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.158 7.892 2.203 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.480 6.326 2.922 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.946 6.853 -0.032 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.167 7.213 1.173 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.898 4.484 1.207 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.060 4.839 -0.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.130 3.865 1.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.679 5.456 1.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.554 5.111 2.869 1.00 0.00 H new ATOM 656 N CYS A 46 0.150 4.534 1.894 1.00 0.00 N ATOM 657 CA CYS A 46 -1.142 4.139 1.346 1.00 0.00 C ATOM 658 C CYS A 46 -2.145 3.864 2.463 1.00 0.00 C ATOM 659 O CYS A 46 -3.209 4.481 2.521 1.00 0.00 O ATOM 660 CB CYS A 46 -0.988 2.898 0.465 1.00 0.00 C ATOM 661 SG CYS A 46 -0.685 3.266 -1.293 1.00 0.00 S ATOM 0 H CYS A 46 0.758 3.754 2.143 1.00 0.00 H new ATOM 0 HA CYS A 46 -1.519 4.962 0.739 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -0.164 2.295 0.846 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -1.891 2.293 0.548 1.00 0.00 H new ATOM 666 N ILE A 47 -1.797 2.933 3.346 1.00 0.00 N ATOM 667 CA ILE A 47 -2.666 2.577 4.461 1.00 0.00 C ATOM 668 C ILE A 47 -3.309 3.816 5.074 1.00 0.00 C ATOM 669 O ILE A 47 -4.438 3.766 5.563 1.00 0.00 O ATOM 670 CB ILE A 47 -1.893 1.818 5.556 1.00 0.00 C ATOM 671 CG1 ILE A 47 -1.319 0.515 4.996 1.00 0.00 C ATOM 672 CG2 ILE A 47 -2.800 1.536 6.744 1.00 0.00 C ATOM 673 CD1 ILE A 47 -0.362 -0.178 5.940 1.00 0.00 C ATOM 0 H ILE A 47 -0.921 2.412 3.311 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.444 1.928 4.060 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.065 2.441 5.895 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.140 -0.163 4.761 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.803 0.727 4.060 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.240 0.999 7.510 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.165 2.477 7.154 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.645 0.929 6.420 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.006 -1.094 5.478 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.478 0.482 6.156 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.879 -0.422 6.868 1.00 0.00 H new ATOM 685 N THR A 48 -2.584 4.930 5.043 1.00 0.00 N ATOM 686 CA THR A 48 -3.084 6.183 5.595 1.00 0.00 C ATOM 687 C THR A 48 -4.095 6.832 4.657 1.00 0.00 C ATOM 688 O THR A 48 -5.268 6.978 5.000 1.00 0.00 O ATOM 689 CB THR A 48 -1.937 7.176 5.862 1.00 0.00 C ATOM 690 OG1 THR A 48 -1.003 6.608 6.788 1.00 0.00 O ATOM 691 CG2 THR A 48 -2.474 8.487 6.416 1.00 0.00 C ATOM 0 H THR A 48 -1.648 4.990 4.641 1.00 0.00 H new ATOM 0 HA THR A 48 -3.572 5.941 6.539 1.00 0.00 H new ATOM 0 HB THR A 48 -1.434 7.378 4.917 1.00 0.00 H new ATOM 0 HG1 THR A 48 -0.276 7.245 6.951 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.646 9.172 6.597 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.162 8.931 5.697 1.00 0.00 H new ATOM 0 HG23 THR A 48 -3.000 8.298 7.352 1.00 0.00 H new ATOM 699 N GLN A 49 -3.632 7.220 3.473 1.00 0.00 N ATOM 700 CA GLN A 49 -4.498 7.854 2.486 1.00 0.00 C ATOM 701 C GLN A 49 -5.862 7.174 2.441 1.00 0.00 C ATOM 702 O GLN A 49 -6.895 7.839 2.354 1.00 0.00 O ATOM 703 CB GLN A 49 -3.847 7.810 1.102 1.00 0.00 C ATOM 704 CG GLN A 49 -2.667 8.756 0.954 1.00 0.00 C ATOM 705 CD GLN A 49 -2.994 10.170 1.392 1.00 0.00 C ATOM 706 OE1 GLN A 49 -3.678 10.909 0.684 1.00 0.00 O ATOM 707 NE2 GLN A 49 -2.506 10.554 2.566 1.00 0.00 N ATOM 0 H GLN A 49 -2.663 7.107 3.174 1.00 0.00 H new ATOM 0 HA GLN A 49 -4.641 8.894 2.780 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.514 6.792 0.899 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.596 8.056 0.349 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.830 8.382 1.543 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.344 8.768 -0.087 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.944 9.908 3.120 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.694 11.495 2.913 1.00 0.00 H new ATOM 716 N ILE A 50 -5.859 5.847 2.502 1.00 0.00 N ATOM 717 CA ILE A 50 -7.096 5.078 2.469 1.00 0.00 C ATOM 718 C ILE A 50 -7.973 5.396 3.675 1.00 0.00 C ATOM 719 O ILE A 50 -9.139 5.763 3.529 1.00 0.00 O ATOM 720 CB ILE A 50 -6.817 3.564 2.437 1.00 0.00 C ATOM 721 CG1 ILE A 50 -5.970 3.205 1.214 1.00 0.00 C ATOM 722 CG2 ILE A 50 -8.124 2.784 2.429 1.00 0.00 C ATOM 723 CD1 ILE A 50 -5.296 1.855 1.322 1.00 0.00 C ATOM 0 H ILE A 50 -5.013 5.282 2.575 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.620 5.362 1.556 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.260 3.294 3.334 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.604 3.216 0.327 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.209 3.972 1.071 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.910 1.715 2.406 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.695 3.021 3.327 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.705 3.056 1.548 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.713 1.666 0.421 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.636 1.846 2.190 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -6.053 1.078 1.434 1.00 0.00 H new ATOM 735 N GLY A 51 -7.404 5.255 4.868 1.00 0.00 N ATOM 736 CA GLY A 51 -8.148 5.533 6.083 1.00 0.00 C ATOM 737 C GLY A 51 -9.024 6.763 5.957 1.00 0.00 C ATOM 738 O GLY A 51 -10.137 6.796 6.482 1.00 0.00 O ATOM 0 H GLY A 51 -6.441 4.953 5.015 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.769 4.672 6.330 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.450 5.670 6.909 1.00 0.00 H new ATOM 742 N GLU A 52 -8.521 7.778 5.261 1.00 0.00 N ATOM 743 CA GLU A 52 -9.266 9.017 5.071 1.00 0.00 C ATOM 744 C GLU A 52 -10.763 8.741 4.961 1.00 0.00 C ATOM 745 O GLU A 52 -11.580 9.428 5.575 1.00 0.00 O ATOM 746 CB GLU A 52 -8.778 9.744 3.816 1.00 0.00 C ATOM 747 CG GLU A 52 -7.295 10.074 3.842 1.00 0.00 C ATOM 748 CD GLU A 52 -6.954 11.154 4.851 1.00 0.00 C ATOM 749 OE1 GLU A 52 -7.699 12.153 4.925 1.00 0.00 O ATOM 750 OE2 GLU A 52 -5.943 10.998 5.567 1.00 0.00 O ATOM 0 H GLU A 52 -7.601 7.767 4.820 1.00 0.00 H new ATOM 0 HA GLU A 52 -9.094 9.651 5.941 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.989 9.126 2.943 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.345 10.667 3.697 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.730 9.172 4.077 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.981 10.397 2.849 1.00 0.00 H new ATOM 757 N THR A 53 -11.116 7.729 4.174 1.00 0.00 N ATOM 758 CA THR A 53 -12.513 7.362 3.982 1.00 0.00 C ATOM 759 C THR A 53 -13.196 7.078 5.315 1.00 0.00 C ATOM 760 O THR A 53 -12.532 6.887 6.334 1.00 0.00 O ATOM 761 CB THR A 53 -12.649 6.124 3.075 1.00 0.00 C ATOM 762 OG1 THR A 53 -14.031 5.865 2.804 1.00 0.00 O ATOM 763 CG2 THR A 53 -12.018 4.903 3.728 1.00 0.00 C ATOM 0 H THR A 53 -10.453 7.149 3.659 1.00 0.00 H new ATOM 0 HA THR A 53 -12.999 8.211 3.502 1.00 0.00 H new ATOM 0 HB THR A 53 -12.127 6.327 2.140 1.00 0.00 H new ATOM 0 HG1 THR A 53 -14.109 5.078 2.226 1.00 0.00 H new ATOM 0 HG21 THR A 53 -12.126 4.041 3.069 1.00 0.00 H new ATOM 0 HG22 THR A 53 -10.960 5.092 3.907 1.00 0.00 H new ATOM 0 HG23 THR A 53 -12.516 4.700 4.676 1.00 0.00 H new ATOM 771 N SER A 54 -14.524 7.052 5.301 1.00 0.00 N ATOM 772 CA SER A 54 -15.297 6.795 6.511 1.00 0.00 C ATOM 773 C SER A 54 -15.372 5.299 6.799 1.00 0.00 C ATOM 774 O SER A 54 -14.882 4.828 7.826 1.00 0.00 O ATOM 775 CB SER A 54 -16.708 7.371 6.372 1.00 0.00 C ATOM 776 OG SER A 54 -17.297 7.587 7.643 1.00 0.00 O ATOM 0 H SER A 54 -15.088 7.206 4.465 1.00 0.00 H new ATOM 0 HA SER A 54 -14.794 7.283 7.345 1.00 0.00 H new ATOM 0 HB2 SER A 54 -16.668 8.311 5.821 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.328 6.688 5.792 1.00 0.00 H new ATOM 0 HG SER A 54 -18.197 7.957 7.528 1.00 0.00 H new ATOM 782 N CYS A 55 -15.989 4.557 5.886 1.00 0.00 N ATOM 783 CA CYS A 55 -16.130 3.114 6.042 1.00 0.00 C ATOM 784 C CYS A 55 -14.765 2.437 6.094 1.00 0.00 C ATOM 785 O CYS A 55 -14.043 2.394 5.098 1.00 0.00 O ATOM 786 CB CYS A 55 -16.957 2.534 4.893 1.00 0.00 C ATOM 787 SG CYS A 55 -18.744 2.702 5.112 1.00 0.00 S ATOM 0 H CYS A 55 -16.399 4.931 5.030 1.00 0.00 H new ATOM 0 HA CYS A 55 -16.646 2.924 6.983 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -16.667 3.028 3.966 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -16.713 1.478 4.781 1.00 0.00 H new ATOM 0 HG CYS A 55 -19.357 2.185 4.089 1.00 0.00 H new ATOM 793 N GLY A 56 -14.415 1.910 7.264 1.00 0.00 N ATOM 794 CA GLY A 56 -13.136 1.243 7.425 1.00 0.00 C ATOM 795 C GLY A 56 -11.964 2.184 7.230 1.00 0.00 C ATOM 796 O GLY A 56 -11.947 2.981 6.292 1.00 0.00 O ATOM 0 H GLY A 56 -14.995 1.933 8.103 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -13.082 0.802 8.420 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -13.064 0.424 6.709 1.00 0.00 H new ATOM 800 N PHE A 57 -10.980 2.094 8.120 1.00 0.00 N ATOM 801 CA PHE A 57 -9.799 2.946 8.043 1.00 0.00 C ATOM 802 C PHE A 57 -8.811 2.413 7.010 1.00 0.00 C ATOM 803 O PHE A 57 -7.673 2.878 6.926 1.00 0.00 O ATOM 804 CB PHE A 57 -9.123 3.041 9.412 1.00 0.00 C ATOM 805 CG PHE A 57 -8.327 4.300 9.602 1.00 0.00 C ATOM 806 CD1 PHE A 57 -8.902 5.540 9.371 1.00 0.00 C ATOM 807 CD2 PHE A 57 -7.005 4.245 10.012 1.00 0.00 C ATOM 808 CE1 PHE A 57 -8.171 6.700 9.544 1.00 0.00 C ATOM 809 CE2 PHE A 57 -6.269 5.402 10.187 1.00 0.00 C ATOM 810 CZ PHE A 57 -6.854 6.631 9.954 1.00 0.00 C ATOM 0 H PHE A 57 -10.978 1.440 8.902 1.00 0.00 H new ATOM 0 HA PHE A 57 -10.118 3.941 7.734 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -9.885 2.982 10.189 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.466 2.182 9.544 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -9.932 5.600 9.052 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -6.544 3.286 10.197 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -8.629 7.660 9.359 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -5.239 5.345 10.505 1.00 0.00 H new ATOM 0 HZ PHE A 57 -6.282 7.537 10.092 1.00 0.00 H new ATOM 820 N PHE A 58 -9.252 1.435 6.227 1.00 0.00 N ATOM 821 CA PHE A 58 -8.407 0.837 5.200 1.00 0.00 C ATOM 822 C PHE A 58 -9.245 0.058 4.191 1.00 0.00 C ATOM 823 O PHE A 58 -10.441 -0.155 4.392 1.00 0.00 O ATOM 824 CB PHE A 58 -7.368 -0.087 5.839 1.00 0.00 C ATOM 825 CG PHE A 58 -6.401 -0.675 4.852 1.00 0.00 C ATOM 826 CD1 PHE A 58 -5.283 0.037 4.449 1.00 0.00 C ATOM 827 CD2 PHE A 58 -6.609 -1.941 4.328 1.00 0.00 C ATOM 828 CE1 PHE A 58 -4.392 -0.502 3.541 1.00 0.00 C ATOM 829 CE2 PHE A 58 -5.721 -2.485 3.419 1.00 0.00 C ATOM 830 CZ PHE A 58 -4.610 -1.765 3.026 1.00 0.00 C ATOM 0 H PHE A 58 -10.190 1.039 6.284 1.00 0.00 H new ATOM 0 HA PHE A 58 -7.893 1.642 4.674 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -6.812 0.471 6.592 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -7.883 -0.896 6.357 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.106 1.024 4.849 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.475 -2.509 4.633 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.525 0.064 3.234 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.896 -3.472 3.017 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.913 -2.188 2.318 1.00 0.00 H new ATOM 840 N LYS A 59 -8.609 -0.365 3.104 1.00 0.00 N ATOM 841 CA LYS A 59 -9.293 -1.122 2.062 1.00 0.00 C ATOM 842 C LYS A 59 -8.301 -1.942 1.245 1.00 0.00 C ATOM 843 O LYS A 59 -7.373 -1.397 0.647 1.00 0.00 O ATOM 844 CB LYS A 59 -10.069 -0.176 1.143 1.00 0.00 C ATOM 845 CG LYS A 59 -10.702 -0.871 -0.051 1.00 0.00 C ATOM 846 CD LYS A 59 -11.280 0.129 -1.037 1.00 0.00 C ATOM 847 CE LYS A 59 -10.245 0.562 -2.064 1.00 0.00 C ATOM 848 NZ LYS A 59 -9.983 -0.504 -3.070 1.00 0.00 N ATOM 0 H LYS A 59 -7.620 -0.196 2.921 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.992 -1.806 2.543 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.850 0.319 1.721 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -9.396 0.603 0.785 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.955 -1.487 -0.552 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.490 -1.541 0.293 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.136 -0.314 -1.546 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.647 1.003 -0.498 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.591 1.463 -2.571 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -9.315 0.819 -1.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.479 -0.097 -3.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.401 -1.251 -2.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.886 -0.909 -3.389 1.00 0.00 H new ATOM 862 N CYS A 60 -8.503 -3.256 1.222 1.00 0.00 N ATOM 863 CA CYS A 60 -7.627 -4.152 0.477 1.00 0.00 C ATOM 864 C CYS A 60 -8.252 -4.535 -0.862 1.00 0.00 C ATOM 865 O CYS A 60 -9.309 -5.163 -0.925 1.00 0.00 O ATOM 866 CB CYS A 60 -7.336 -5.411 1.295 1.00 0.00 C ATOM 867 SG CYS A 60 -6.097 -6.516 0.544 1.00 0.00 S ATOM 0 H CYS A 60 -9.266 -3.723 1.711 1.00 0.00 H new ATOM 0 HA CYS A 60 -6.691 -3.628 0.284 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -6.991 -5.116 2.286 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -8.265 -5.965 1.433 1.00 0.00 H new ATOM 872 N PRO A 61 -7.584 -4.148 -1.959 1.00 0.00 N ATOM 873 CA PRO A 61 -8.054 -4.441 -3.316 1.00 0.00 C ATOM 874 C PRO A 61 -7.953 -5.924 -3.658 1.00 0.00 C ATOM 875 O PRO A 61 -8.778 -6.458 -4.400 1.00 0.00 O ATOM 876 CB PRO A 61 -7.111 -3.623 -4.202 1.00 0.00 C ATOM 877 CG PRO A 61 -5.870 -3.467 -3.393 1.00 0.00 C ATOM 878 CD PRO A 61 -6.317 -3.397 -1.959 1.00 0.00 C ATOM 0 HA PRO A 61 -9.107 -4.191 -3.445 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.908 -4.135 -5.143 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.544 -2.655 -4.453 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -5.193 -4.307 -3.550 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -5.329 -2.564 -3.678 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.584 -3.845 -1.288 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.461 -2.367 -1.633 1.00 0.00 H new ATOM 886 N LEU A 62 -6.938 -6.584 -3.111 1.00 0.00 N ATOM 887 CA LEU A 62 -6.730 -8.007 -3.358 1.00 0.00 C ATOM 888 C LEU A 62 -7.814 -8.841 -2.683 1.00 0.00 C ATOM 889 O LEU A 62 -8.398 -9.734 -3.297 1.00 0.00 O ATOM 890 CB LEU A 62 -5.351 -8.435 -2.852 1.00 0.00 C ATOM 891 CG LEU A 62 -4.175 -7.561 -3.287 1.00 0.00 C ATOM 892 CD1 LEU A 62 -2.890 -8.024 -2.618 1.00 0.00 C ATOM 893 CD2 LEU A 62 -4.027 -7.580 -4.801 1.00 0.00 C ATOM 0 H LEU A 62 -6.247 -6.157 -2.494 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.785 -8.177 -4.433 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.377 -8.458 -1.763 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.163 -9.455 -3.188 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.374 -6.536 -2.975 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.064 -7.390 -2.940 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.999 -7.957 -1.536 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.685 -9.057 -2.899 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.185 -6.952 -5.092 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.851 -8.602 -5.137 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.939 -7.199 -5.261 1.00 0.00 H new ATOM 905 N CYS A 63 -8.080 -8.542 -1.416 1.00 0.00 N ATOM 906 CA CYS A 63 -9.095 -9.262 -0.657 1.00 0.00 C ATOM 907 C CYS A 63 -10.490 -8.978 -1.207 1.00 0.00 C ATOM 908 O CYS A 63 -10.930 -7.830 -1.248 1.00 0.00 O ATOM 909 CB CYS A 63 -9.030 -8.872 0.821 1.00 0.00 C ATOM 910 SG CYS A 63 -7.739 -9.746 1.764 1.00 0.00 S ATOM 0 H CYS A 63 -7.606 -7.805 -0.893 1.00 0.00 H new ATOM 0 HA CYS A 63 -8.895 -10.329 -0.754 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -8.855 -7.799 0.895 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -9.998 -9.070 1.281 1.00 0.00 H new TER 915 CYS A 63 HETATM 916 ZN ZN A 201 1.260 2.146 -1.338 1.00 0.00 ZN HETATM 917 ZN ZN A 401 -5.749 -8.501 1.743 1.00 0.00 ZN