USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 410 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 37 TYR OH : rot 36:sc= 0.75 USER MOD Set 1.2: A 46 HIS : no HD1:sc= -2.9! C(o=-3.5!,f=-15!) USER MOD Set 1.3: A 50 HIS : no HD1:sc= -1.31! K(o=-3.5!,f=-4.6) USER MOD Set 2.1: A 20 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 45 LYS NZ :NH3+ -158:sc= 0.127 (180deg=0.0368) 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 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 151:sc= -0.3 (180deg=-1.47!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -10.1! C(o=-10!,f=-5.5!) USER MOD Single : A 34 ASN : amide:sc= 1.18 K(o=1.2,f=-0.07) USER MOD Single : A 39 CYS SG : rot 14:sc= 0.0333 USER MOD Single : A 43 GLN : amide:sc= -0.441 X(o=-0.44,f=-0.81) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= -0.0403 USER MOD Single : A 59 SER OG : rot 180:sc= -0.0347 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.850 -28.545 36.020 1.00 0.00 N ATOM 2 CA GLY A 1 -15.880 -27.633 35.442 1.00 0.00 C ATOM 3 C GLY A 1 -16.091 -27.428 33.955 1.00 0.00 C ATOM 4 O GLY A 1 -15.140 -27.472 33.175 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.663 -28.652 37.037 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.808 -28.166 35.882 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.775 -29.472 35.555 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.942 -26.671 35.951 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.875 -28.020 35.613 1.00 0.00 H new ATOM 8 N SER A 2 -17.340 -27.204 33.561 1.00 0.00 N ATOM 9 CA SER A 2 -17.674 -26.997 32.157 1.00 0.00 C ATOM 10 C SER A 2 -18.015 -25.534 31.890 1.00 0.00 C ATOM 11 O SER A 2 -18.953 -25.228 31.154 1.00 0.00 O ATOM 12 CB SER A 2 -18.849 -27.888 31.753 1.00 0.00 C ATOM 13 OG SER A 2 -18.445 -29.241 31.631 1.00 0.00 O ATOM 0 H SER A 2 -18.138 -27.161 34.195 1.00 0.00 H new ATOM 0 HA SER A 2 -16.803 -27.264 31.559 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.643 -27.808 32.496 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.263 -27.542 30.806 1.00 0.00 H new ATOM 0 HG SER A 2 -19.215 -29.790 31.374 1.00 0.00 H new ATOM 19 N SER A 3 -17.245 -24.634 32.494 1.00 0.00 N ATOM 20 CA SER A 3 -17.467 -23.202 32.325 1.00 0.00 C ATOM 21 C SER A 3 -16.470 -22.611 31.333 1.00 0.00 C ATOM 22 O SER A 3 -15.262 -22.633 31.562 1.00 0.00 O ATOM 23 CB SER A 3 -17.350 -22.485 33.671 1.00 0.00 C ATOM 24 OG SER A 3 -17.649 -21.105 33.541 1.00 0.00 O ATOM 0 H SER A 3 -16.463 -24.871 33.104 1.00 0.00 H new ATOM 0 HA SER A 3 -18.473 -23.059 31.931 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.030 -22.942 34.390 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.341 -22.606 34.065 1.00 0.00 H new ATOM 0 HG SER A 3 -17.569 -20.669 34.415 1.00 0.00 H new ATOM 30 N GLY A 4 -16.987 -22.083 30.227 1.00 0.00 N ATOM 31 CA GLY A 4 -16.130 -21.494 29.216 1.00 0.00 C ATOM 32 C GLY A 4 -16.917 -20.862 28.085 1.00 0.00 C ATOM 33 O GLY A 4 -17.970 -21.367 27.694 1.00 0.00 O ATOM 0 H GLY A 4 -17.984 -22.053 30.014 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.494 -20.739 29.678 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.471 -22.262 28.811 1.00 0.00 H new ATOM 37 N SER A 5 -16.407 -19.753 27.558 1.00 0.00 N ATOM 38 CA SER A 5 -17.073 -19.048 26.469 1.00 0.00 C ATOM 39 C SER A 5 -16.057 -18.532 25.455 1.00 0.00 C ATOM 40 O SER A 5 -14.852 -18.546 25.705 1.00 0.00 O ATOM 41 CB SER A 5 -17.900 -17.884 27.018 1.00 0.00 C ATOM 42 OG SER A 5 -18.804 -18.326 28.016 1.00 0.00 O ATOM 0 H SER A 5 -15.535 -19.324 27.868 1.00 0.00 H new ATOM 0 HA SER A 5 -17.737 -19.751 25.966 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.236 -17.127 27.434 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.453 -17.412 26.206 1.00 0.00 H new ATOM 0 HG SER A 5 -19.319 -17.563 28.352 1.00 0.00 H new ATOM 48 N SER A 6 -16.553 -18.076 24.309 1.00 0.00 N ATOM 49 CA SER A 6 -15.689 -17.558 23.255 1.00 0.00 C ATOM 50 C SER A 6 -16.107 -16.145 22.856 1.00 0.00 C ATOM 51 O SER A 6 -17.257 -15.751 23.040 1.00 0.00 O ATOM 52 CB SER A 6 -15.731 -18.478 22.034 1.00 0.00 C ATOM 53 OG SER A 6 -14.919 -19.623 22.230 1.00 0.00 O ATOM 0 H SER A 6 -17.548 -18.055 24.087 1.00 0.00 H new ATOM 0 HA SER A 6 -14.670 -17.522 23.639 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.759 -18.786 21.842 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.391 -17.934 21.153 1.00 0.00 H new ATOM 0 HG SER A 6 -14.964 -20.196 21.436 1.00 0.00 H new ATOM 59 N GLY A 7 -15.161 -15.388 22.307 1.00 0.00 N ATOM 60 CA GLY A 7 -15.449 -14.029 21.890 1.00 0.00 C ATOM 61 C GLY A 7 -14.194 -13.193 21.732 1.00 0.00 C ATOM 62 O GLY A 7 -13.945 -12.629 20.665 1.00 0.00 O ATOM 0 H GLY A 7 -14.201 -15.692 22.144 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.990 -14.049 20.944 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.105 -13.559 22.622 1.00 0.00 H new ATOM 66 N LEU A 8 -13.402 -13.111 22.795 1.00 0.00 N ATOM 67 CA LEU A 8 -12.166 -12.336 22.771 1.00 0.00 C ATOM 68 C LEU A 8 -11.283 -12.756 21.600 1.00 0.00 C ATOM 69 O LEU A 8 -10.567 -13.754 21.678 1.00 0.00 O ATOM 70 CB LEU A 8 -11.406 -12.511 24.086 1.00 0.00 C ATOM 71 CG LEU A 8 -11.944 -11.724 25.282 1.00 0.00 C ATOM 72 CD1 LEU A 8 -13.005 -12.528 26.016 1.00 0.00 C ATOM 73 CD2 LEU A 8 -10.811 -11.347 26.226 1.00 0.00 C ATOM 0 H LEU A 8 -13.593 -13.572 23.685 1.00 0.00 H new ATOM 0 HA LEU A 8 -12.427 -11.285 22.647 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -11.405 -13.570 24.344 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -10.368 -12.222 23.924 1.00 0.00 H new ATOM 0 HG LEU A 8 -12.403 -10.807 24.912 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -13.376 -11.952 26.864 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -13.829 -12.747 25.338 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -12.571 -13.462 26.374 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -11.212 -10.788 27.071 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -10.323 -12.252 26.589 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -10.085 -10.731 25.695 1.00 0.00 H new ATOM 85 N GLU A 9 -11.338 -11.986 20.518 1.00 0.00 N ATOM 86 CA GLU A 9 -10.541 -12.279 19.332 1.00 0.00 C ATOM 87 C GLU A 9 -9.931 -11.004 18.758 1.00 0.00 C ATOM 88 O GLU A 9 -10.627 -10.183 18.163 1.00 0.00 O ATOM 89 CB GLU A 9 -11.401 -12.968 18.270 1.00 0.00 C ATOM 90 CG GLU A 9 -10.649 -13.284 16.988 1.00 0.00 C ATOM 91 CD GLU A 9 -11.573 -13.664 15.848 1.00 0.00 C ATOM 92 OE1 GLU A 9 -12.693 -14.142 16.125 1.00 0.00 O ATOM 93 OE2 GLU A 9 -11.175 -13.484 14.678 1.00 0.00 O ATOM 0 H GLU A 9 -11.925 -11.156 20.438 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.732 -12.948 19.625 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.802 -13.893 18.684 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.252 -12.330 18.034 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.056 -12.417 16.696 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.951 -14.101 17.173 1.00 0.00 H new ATOM 100 N ALA A 10 -8.624 -10.845 18.944 1.00 0.00 N ATOM 101 CA ALA A 10 -7.919 -9.671 18.444 1.00 0.00 C ATOM 102 C ALA A 10 -7.320 -9.935 17.067 1.00 0.00 C ATOM 103 O ALA A 10 -6.286 -10.591 16.944 1.00 0.00 O ATOM 104 CB ALA A 10 -6.832 -9.253 19.423 1.00 0.00 C ATOM 0 H ALA A 10 -8.033 -11.514 19.437 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.639 -8.858 18.348 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.313 -8.375 19.038 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.282 -9.014 20.387 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.121 -10.069 19.547 1.00 0.00 H new ATOM 110 N VAL A 11 -7.978 -9.422 16.032 1.00 0.00 N ATOM 111 CA VAL A 11 -7.510 -9.602 14.663 1.00 0.00 C ATOM 112 C VAL A 11 -7.247 -8.259 13.991 1.00 0.00 C ATOM 113 O VAL A 11 -8.167 -7.471 13.775 1.00 0.00 O ATOM 114 CB VAL A 11 -8.529 -10.394 13.822 1.00 0.00 C ATOM 115 CG1 VAL A 11 -9.930 -9.834 14.014 1.00 0.00 C ATOM 116 CG2 VAL A 11 -8.135 -10.374 12.352 1.00 0.00 C ATOM 0 H VAL A 11 -8.837 -8.878 16.116 1.00 0.00 H new ATOM 0 HA VAL A 11 -6.579 -10.166 14.718 1.00 0.00 H new ATOM 0 HB VAL A 11 -8.528 -11.430 14.162 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -10.636 -10.406 13.412 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.209 -9.904 15.065 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.950 -8.790 13.702 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -8.865 -10.938 11.772 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.107 -9.344 11.997 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -7.150 -10.826 12.233 1.00 0.00 H new ATOM 126 N ALA A 12 -5.985 -8.005 13.662 1.00 0.00 N ATOM 127 CA ALA A 12 -5.600 -6.759 13.012 1.00 0.00 C ATOM 128 C ALA A 12 -5.204 -6.997 11.559 1.00 0.00 C ATOM 129 O ALA A 12 -4.688 -8.054 11.196 1.00 0.00 O ATOM 130 CB ALA A 12 -4.458 -6.099 13.771 1.00 0.00 C ATOM 0 H ALA A 12 -5.211 -8.647 13.835 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.462 -6.092 13.021 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.180 -5.169 13.274 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.775 -5.885 14.792 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.599 -6.770 13.791 1.00 0.00 H new ATOM 136 N PRO A 13 -5.452 -5.992 10.705 1.00 0.00 N ATOM 137 CA PRO A 13 -5.129 -6.069 9.277 1.00 0.00 C ATOM 138 C PRO A 13 -3.626 -6.048 9.021 1.00 0.00 C ATOM 139 O PRO A 13 -2.829 -6.266 9.932 1.00 0.00 O ATOM 140 CB PRO A 13 -5.789 -4.816 8.697 1.00 0.00 C ATOM 141 CG PRO A 13 -5.862 -3.862 9.839 1.00 0.00 C ATOM 142 CD PRO A 13 -6.065 -4.704 11.069 1.00 0.00 C ATOM 0 HA PRO A 13 -5.480 -6.998 8.828 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -5.203 -4.405 7.875 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -6.781 -5.038 8.302 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -4.948 -3.274 9.915 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -6.684 -3.158 9.708 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -5.584 -4.263 11.942 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -7.122 -4.816 11.310 1.00 0.00 H new ATOM 150 N GLU A 14 -3.247 -5.783 7.774 1.00 0.00 N ATOM 151 CA GLU A 14 -1.839 -5.733 7.399 1.00 0.00 C ATOM 152 C GLU A 14 -1.596 -4.664 6.338 1.00 0.00 C ATOM 153 O GLU A 14 -2.520 -4.245 5.641 1.00 0.00 O ATOM 154 CB GLU A 14 -1.379 -7.097 6.880 1.00 0.00 C ATOM 155 CG GLU A 14 -2.378 -7.763 5.950 1.00 0.00 C ATOM 156 CD GLU A 14 -2.238 -9.273 5.927 1.00 0.00 C ATOM 157 OE1 GLU A 14 -1.735 -9.837 6.921 1.00 0.00 O ATOM 158 OE2 GLU A 14 -2.632 -9.890 4.916 1.00 0.00 O ATOM 0 H GLU A 14 -3.895 -5.600 7.008 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.261 -5.476 8.287 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.432 -6.976 6.355 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.191 -7.755 7.729 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.389 -7.500 6.261 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.244 -7.374 4.941 1.00 0.00 H new ATOM 165 N ARG A 15 -0.346 -4.228 6.221 1.00 0.00 N ATOM 166 CA ARG A 15 0.019 -3.207 5.247 1.00 0.00 C ATOM 167 C ARG A 15 1.511 -3.265 4.932 1.00 0.00 C ATOM 168 O ARG A 15 2.335 -3.617 5.775 1.00 0.00 O ATOM 169 CB ARG A 15 -0.349 -1.817 5.770 1.00 0.00 C ATOM 170 CG ARG A 15 -0.393 -1.730 7.287 1.00 0.00 C ATOM 171 CD ARG A 15 1.006 -1.704 7.884 1.00 0.00 C ATOM 172 NE ARG A 15 0.987 -1.376 9.307 1.00 0.00 N ATOM 173 CZ ARG A 15 0.733 -2.263 10.262 1.00 0.00 C ATOM 174 NH1 ARG A 15 0.478 -3.525 9.949 1.00 0.00 N ATOM 175 NH2 ARG A 15 0.735 -1.888 11.535 1.00 0.00 N ATOM 0 H ARG A 15 0.431 -4.566 6.789 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.537 -3.401 4.330 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.374 -1.093 5.394 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.322 -1.533 5.370 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.934 -0.832 7.586 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -0.944 -2.582 7.686 1.00 0.00 H new ATOM 0 HD2 ARG A 15 1.479 -2.676 7.742 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.614 -0.973 7.351 1.00 0.00 H new ATOM 0 HE ARG A 15 1.179 -0.413 9.582 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.476 -3.818 8.972 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.283 -4.204 10.685 1.00 0.00 H new ATOM 0 HH21 ARG A 15 0.932 -0.918 11.781 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.540 -2.570 12.268 1.00 0.00 H new ATOM 189 N PRO A 16 1.867 -2.912 3.687 1.00 0.00 N ATOM 190 CA PRO A 16 3.261 -2.916 3.232 1.00 0.00 C ATOM 191 C PRO A 16 4.087 -1.814 3.886 1.00 0.00 C ATOM 192 O PRO A 16 3.682 -1.237 4.895 1.00 0.00 O ATOM 193 CB PRO A 16 3.142 -2.672 1.725 1.00 0.00 C ATOM 194 CG PRO A 16 1.850 -1.950 1.559 1.00 0.00 C ATOM 195 CD PRO A 16 0.937 -2.482 2.630 1.00 0.00 C ATOM 0 HA PRO A 16 3.771 -3.844 3.489 1.00 0.00 H new ATOM 0 HB2 PRO A 16 3.977 -2.079 1.353 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.145 -3.610 1.171 1.00 0.00 H new ATOM 0 HG2 PRO A 16 1.988 -0.874 1.663 1.00 0.00 H new ATOM 0 HG3 PRO A 16 1.431 -2.123 0.568 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.248 -1.717 2.988 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.331 -3.312 2.266 1.00 0.00 H new ATOM 203 N ARG A 17 5.247 -1.527 3.305 1.00 0.00 N ATOM 204 CA ARG A 17 6.131 -0.494 3.833 1.00 0.00 C ATOM 205 C ARG A 17 6.920 0.172 2.709 1.00 0.00 C ATOM 206 O ARG A 17 7.355 -0.488 1.765 1.00 0.00 O ATOM 207 CB ARG A 17 7.093 -1.093 4.860 1.00 0.00 C ATOM 208 CG ARG A 17 7.510 -0.114 5.946 1.00 0.00 C ATOM 209 CD ARG A 17 6.333 0.278 6.825 1.00 0.00 C ATOM 210 NE ARG A 17 6.752 0.615 8.183 1.00 0.00 N ATOM 211 CZ ARG A 17 5.943 0.568 9.235 1.00 0.00 C ATOM 212 NH1 ARG A 17 4.678 0.198 9.087 1.00 0.00 N ATOM 213 NH2 ARG A 17 6.398 0.890 10.439 1.00 0.00 N ATOM 0 H ARG A 17 5.597 -1.995 2.469 1.00 0.00 H new ATOM 0 HA ARG A 17 5.515 0.263 4.320 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.622 -1.959 5.325 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.984 -1.452 4.345 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.291 -0.562 6.560 1.00 0.00 H new ATOM 0 HG3 ARG A 17 7.937 0.778 5.488 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.818 1.131 6.382 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.617 -0.543 6.860 1.00 0.00 H new ATOM 0 HE ARG A 17 7.719 0.902 8.331 1.00 0.00 H new ATOM 0 HH11 ARG A 17 4.324 -0.051 8.163 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.059 0.163 9.897 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.370 1.174 10.558 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.775 0.853 11.246 1.00 0.00 H new ATOM 227 N CYS A 18 7.100 1.485 2.817 1.00 0.00 N ATOM 228 CA CYS A 18 7.835 2.241 1.811 1.00 0.00 C ATOM 229 C CYS A 18 9.278 1.755 1.711 1.00 0.00 C ATOM 230 O CYS A 18 9.796 1.123 2.631 1.00 0.00 O ATOM 231 CB CYS A 18 7.811 3.734 2.147 1.00 0.00 C ATOM 232 SG CYS A 18 8.172 4.821 0.731 1.00 0.00 S ATOM 0 H CYS A 18 6.746 2.047 3.592 1.00 0.00 H new ATOM 0 HA CYS A 18 7.349 2.083 0.848 1.00 0.00 H new ATOM 0 HB2 CYS A 18 6.830 3.990 2.547 1.00 0.00 H new ATOM 0 HB3 CYS A 18 8.537 3.930 2.936 1.00 0.00 H new ATOM 237 N ALA A 19 9.921 2.055 0.587 1.00 0.00 N ATOM 238 CA ALA A 19 11.304 1.650 0.367 1.00 0.00 C ATOM 239 C ALA A 19 12.250 2.840 0.489 1.00 0.00 C ATOM 240 O ALA A 19 13.447 2.724 0.225 1.00 0.00 O ATOM 241 CB ALA A 19 11.451 0.994 -0.997 1.00 0.00 C ATOM 0 H ALA A 19 9.506 2.577 -0.185 1.00 0.00 H new ATOM 0 HA ALA A 19 11.572 0.926 1.137 1.00 0.00 H new ATOM 0 HB1 ALA A 19 12.489 0.697 -1.148 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.810 0.114 -1.048 1.00 0.00 H new ATOM 0 HB3 ALA A 19 11.160 1.701 -1.774 1.00 0.00 H new ATOM 247 N TYR A 20 11.705 3.984 0.888 1.00 0.00 N ATOM 248 CA TYR A 20 12.500 5.197 1.041 1.00 0.00 C ATOM 249 C TYR A 20 12.389 5.746 2.460 1.00 0.00 C ATOM 250 O TYR A 20 13.372 6.212 3.038 1.00 0.00 O ATOM 251 CB TYR A 20 12.050 6.257 0.035 1.00 0.00 C ATOM 252 CG TYR A 20 12.597 7.637 0.324 1.00 0.00 C ATOM 253 CD1 TYR A 20 12.035 8.436 1.312 1.00 0.00 C ATOM 254 CD2 TYR A 20 13.677 8.141 -0.390 1.00 0.00 C ATOM 255 CE1 TYR A 20 12.531 9.697 1.578 1.00 0.00 C ATOM 256 CE2 TYR A 20 14.181 9.401 -0.129 1.00 0.00 C ATOM 257 CZ TYR A 20 13.604 10.175 0.855 1.00 0.00 C ATOM 258 OH TYR A 20 14.103 11.430 1.119 1.00 0.00 O ATOM 0 H TYR A 20 10.716 4.097 1.111 1.00 0.00 H new ATOM 0 HA TYR A 20 13.543 4.944 0.850 1.00 0.00 H new ATOM 0 HB2 TYR A 20 12.362 5.953 -0.964 1.00 0.00 H new ATOM 0 HB3 TYR A 20 10.961 6.301 0.029 1.00 0.00 H new ATOM 0 HD1 TYR A 20 11.196 8.065 1.882 1.00 0.00 H new ATOM 0 HD2 TYR A 20 14.131 7.538 -1.162 1.00 0.00 H new ATOM 0 HE1 TYR A 20 12.081 10.306 2.348 1.00 0.00 H new ATOM 0 HE2 TYR A 20 15.022 9.777 -0.693 1.00 0.00 H new ATOM 0 HH TYR A 20 14.859 11.614 0.523 1.00 0.00 H new ATOM 268 N CYS A 21 11.184 5.687 3.018 1.00 0.00 N ATOM 269 CA CYS A 21 10.941 6.177 4.369 1.00 0.00 C ATOM 270 C CYS A 21 10.483 5.045 5.284 1.00 0.00 C ATOM 271 O CYS A 21 10.411 5.208 6.502 1.00 0.00 O ATOM 272 CB CYS A 21 9.890 7.289 4.349 1.00 0.00 C ATOM 273 SG CYS A 21 8.208 6.715 3.947 1.00 0.00 S ATOM 0 H CYS A 21 10.360 5.304 2.554 1.00 0.00 H new ATOM 0 HA CYS A 21 11.877 6.578 4.757 1.00 0.00 H new ATOM 0 HB2 CYS A 21 9.873 7.776 5.324 1.00 0.00 H new ATOM 0 HB3 CYS A 21 10.189 8.044 3.621 1.00 0.00 H new ATOM 278 N SER A 22 10.175 3.897 4.688 1.00 0.00 N ATOM 279 CA SER A 22 9.720 2.739 5.448 1.00 0.00 C ATOM 280 C SER A 22 8.406 3.040 6.163 1.00 0.00 C ATOM 281 O SER A 22 8.198 2.624 7.303 1.00 0.00 O ATOM 282 CB SER A 22 10.783 2.321 6.465 1.00 0.00 C ATOM 283 OG SER A 22 12.038 2.121 5.838 1.00 0.00 O ATOM 0 H SER A 22 10.232 3.744 3.681 1.00 0.00 H new ATOM 0 HA SER A 22 9.553 1.919 4.749 1.00 0.00 H new ATOM 0 HB2 SER A 22 10.876 3.087 7.235 1.00 0.00 H new ATOM 0 HB3 SER A 22 10.472 1.403 6.964 1.00 0.00 H new ATOM 0 HG SER A 22 12.701 1.856 6.510 1.00 0.00 H new ATOM 289 N ALA A 23 7.524 3.767 5.486 1.00 0.00 N ATOM 290 CA ALA A 23 6.230 4.123 6.054 1.00 0.00 C ATOM 291 C ALA A 23 5.113 3.283 5.444 1.00 0.00 C ATOM 292 O ALA A 23 5.305 2.627 4.421 1.00 0.00 O ATOM 293 CB ALA A 23 5.952 5.604 5.847 1.00 0.00 C ATOM 0 H ALA A 23 7.682 4.121 4.543 1.00 0.00 H new ATOM 0 HA ALA A 23 6.262 3.917 7.124 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.982 5.856 6.276 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.729 6.192 6.336 1.00 0.00 H new ATOM 0 HB3 ALA A 23 5.946 5.827 4.780 1.00 0.00 H new ATOM 299 N GLU A 24 3.945 3.307 6.080 1.00 0.00 N ATOM 300 CA GLU A 24 2.798 2.546 5.600 1.00 0.00 C ATOM 301 C GLU A 24 2.519 2.851 4.131 1.00 0.00 C ATOM 302 O GLU A 24 2.049 3.936 3.790 1.00 0.00 O ATOM 303 CB GLU A 24 1.560 2.861 6.442 1.00 0.00 C ATOM 304 CG GLU A 24 1.384 1.937 7.635 1.00 0.00 C ATOM 305 CD GLU A 24 0.434 2.500 8.674 1.00 0.00 C ATOM 306 OE1 GLU A 24 -0.604 3.072 8.281 1.00 0.00 O ATOM 307 OE2 GLU A 24 0.730 2.368 9.880 1.00 0.00 O ATOM 0 H GLU A 24 3.769 3.845 6.928 1.00 0.00 H new ATOM 0 HA GLU A 24 3.032 1.486 5.695 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.624 3.890 6.796 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.675 2.796 5.809 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.010 0.973 7.291 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.355 1.756 8.096 1.00 0.00 H new ATOM 314 N ALA A 25 2.813 1.886 3.266 1.00 0.00 N ATOM 315 CA ALA A 25 2.593 2.050 1.834 1.00 0.00 C ATOM 316 C ALA A 25 1.197 1.583 1.436 1.00 0.00 C ATOM 317 O ALA A 25 0.598 0.744 2.109 1.00 0.00 O ATOM 318 CB ALA A 25 3.650 1.290 1.047 1.00 0.00 C ATOM 0 H ALA A 25 3.204 0.982 3.532 1.00 0.00 H new ATOM 0 HA ALA A 25 2.674 3.111 1.598 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.473 1.421 -0.021 1.00 0.00 H new ATOM 0 HB2 ALA A 25 4.638 1.673 1.301 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.597 0.230 1.296 1.00 0.00 H new ATOM 324 N SER A 26 0.685 2.132 0.339 1.00 0.00 N ATOM 325 CA SER A 26 -0.643 1.774 -0.145 1.00 0.00 C ATOM 326 C SER A 26 -0.592 1.357 -1.612 1.00 0.00 C ATOM 327 O SER A 26 -1.341 0.482 -2.047 1.00 0.00 O ATOM 328 CB SER A 26 -1.606 2.950 0.029 1.00 0.00 C ATOM 329 OG SER A 26 -2.236 2.911 1.298 1.00 0.00 O ATOM 0 H SER A 26 1.169 2.826 -0.231 1.00 0.00 H new ATOM 0 HA SER A 26 -1.002 0.929 0.443 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.063 3.888 -0.082 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.361 2.925 -0.756 1.00 0.00 H new ATOM 0 HG SER A 26 -2.845 3.674 1.385 1.00 0.00 H new ATOM 335 N LYS A 27 0.297 1.990 -2.370 1.00 0.00 N ATOM 336 CA LYS A 27 0.450 1.685 -3.788 1.00 0.00 C ATOM 337 C LYS A 27 1.843 1.139 -4.080 1.00 0.00 C ATOM 338 O LYS A 27 2.835 1.614 -3.527 1.00 0.00 O ATOM 339 CB LYS A 27 0.194 2.937 -4.629 1.00 0.00 C ATOM 340 CG LYS A 27 -1.188 3.534 -4.427 1.00 0.00 C ATOM 341 CD LYS A 27 -2.274 2.629 -4.985 1.00 0.00 C ATOM 342 CE LYS A 27 -2.580 2.957 -6.438 1.00 0.00 C ATOM 343 NZ LYS A 27 -1.558 2.391 -7.361 1.00 0.00 N ATOM 0 H LYS A 27 0.923 2.718 -2.026 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.282 0.921 -4.051 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.944 3.689 -4.384 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.323 2.689 -5.683 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.362 3.699 -3.364 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.239 4.508 -4.914 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.959 1.589 -4.904 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.180 2.735 -4.388 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.563 2.565 -6.700 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.624 4.039 -6.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.996 2.189 -8.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.786 3.077 -7.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.177 1.511 -6.959 1.00 0.00 H new ATOM 357 N ARG A 28 1.911 0.139 -4.953 1.00 0.00 N ATOM 358 CA ARG A 28 3.183 -0.471 -5.319 1.00 0.00 C ATOM 359 C ARG A 28 3.722 0.130 -6.614 1.00 0.00 C ATOM 360 O ARG A 28 3.015 0.854 -7.317 1.00 0.00 O ATOM 361 CB ARG A 28 3.022 -1.984 -5.476 1.00 0.00 C ATOM 362 CG ARG A 28 3.100 -2.744 -4.162 1.00 0.00 C ATOM 363 CD ARG A 28 3.374 -4.222 -4.389 1.00 0.00 C ATOM 364 NE ARG A 28 2.510 -4.787 -5.422 1.00 0.00 N ATOM 365 CZ ARG A 28 2.344 -6.092 -5.609 1.00 0.00 C ATOM 366 NH1 ARG A 28 2.978 -6.962 -4.835 1.00 0.00 N ATOM 367 NH2 ARG A 28 1.540 -6.528 -6.570 1.00 0.00 N ATOM 0 H ARG A 28 1.099 -0.266 -5.420 1.00 0.00 H new ATOM 0 HA ARG A 28 3.896 -0.269 -4.520 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.063 -2.192 -5.950 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.796 -2.356 -6.147 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.888 -2.318 -3.540 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.164 -2.626 -3.616 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.417 -4.357 -4.675 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.226 -4.765 -3.456 1.00 0.00 H new ATOM 0 HE ARG A 28 2.006 -4.145 -6.034 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.595 -6.630 -4.094 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.849 -7.963 -4.981 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.049 -5.861 -7.166 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.413 -7.530 -6.713 1.00 0.00 H new ATOM 381 N CYS A 29 4.978 -0.173 -6.923 1.00 0.00 N ATOM 382 CA CYS A 29 5.613 0.337 -8.132 1.00 0.00 C ATOM 383 C CYS A 29 4.811 -0.046 -9.372 1.00 0.00 C ATOM 384 O CYS A 29 4.636 -1.228 -9.670 1.00 0.00 O ATOM 385 CB CYS A 29 7.041 -0.200 -8.249 1.00 0.00 C ATOM 386 SG CYS A 29 8.074 0.691 -9.457 1.00 0.00 S ATOM 0 H CYS A 29 5.577 -0.770 -6.352 1.00 0.00 H new ATOM 0 HA CYS A 29 5.645 1.424 -8.064 1.00 0.00 H new ATOM 0 HB2 CYS A 29 7.519 -0.148 -7.271 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.000 -1.253 -8.528 1.00 0.00 H new ATOM 391 N SER A 30 4.324 0.961 -10.090 1.00 0.00 N ATOM 392 CA SER A 30 3.537 0.730 -11.296 1.00 0.00 C ATOM 393 C SER A 30 4.424 0.250 -12.440 1.00 0.00 C ATOM 394 O SER A 30 3.957 0.056 -13.563 1.00 0.00 O ATOM 395 CB SER A 30 2.804 2.009 -11.705 1.00 0.00 C ATOM 396 OG SER A 30 1.552 2.111 -11.049 1.00 0.00 O ATOM 0 H SER A 30 4.461 1.945 -9.858 1.00 0.00 H new ATOM 0 HA SER A 30 2.804 -0.046 -11.078 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.417 2.877 -11.462 1.00 0.00 H new ATOM 0 HB3 SER A 30 2.654 2.017 -12.785 1.00 0.00 H new ATOM 0 HG SER A 30 1.104 2.937 -11.326 1.00 0.00 H new ATOM 402 N ARG A 31 5.706 0.061 -12.147 1.00 0.00 N ATOM 403 CA ARG A 31 6.660 -0.395 -13.151 1.00 0.00 C ATOM 404 C ARG A 31 6.875 -1.902 -13.052 1.00 0.00 C ATOM 405 O ARG A 31 6.894 -2.606 -14.063 1.00 0.00 O ATOM 406 CB ARG A 31 7.995 0.334 -12.985 1.00 0.00 C ATOM 407 CG ARG A 31 7.903 1.833 -13.216 1.00 0.00 C ATOM 408 CD ARG A 31 9.203 2.533 -12.851 1.00 0.00 C ATOM 409 NE ARG A 31 9.274 3.881 -13.409 1.00 0.00 N ATOM 410 CZ ARG A 31 9.443 4.133 -14.702 1.00 0.00 C ATOM 411 NH1 ARG A 31 9.559 3.134 -15.566 1.00 0.00 N ATOM 412 NH2 ARG A 31 9.497 5.387 -15.133 1.00 0.00 N ATOM 0 H ARG A 31 6.108 0.216 -11.223 1.00 0.00 H new ATOM 0 HA ARG A 31 6.250 -0.168 -14.135 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.376 0.153 -11.980 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.719 -0.089 -13.681 1.00 0.00 H new ATOM 0 HG2 ARG A 31 7.665 2.027 -14.262 1.00 0.00 H new ATOM 0 HG3 ARG A 31 7.087 2.245 -12.622 1.00 0.00 H new ATOM 0 HD2 ARG A 31 9.295 2.584 -11.766 1.00 0.00 H new ATOM 0 HD3 ARG A 31 10.046 1.945 -13.215 1.00 0.00 H new ATOM 0 HE ARG A 31 9.189 4.672 -12.771 1.00 0.00 H new ATOM 0 HH11 ARG A 31 9.519 2.169 -15.238 1.00 0.00 H new ATOM 0 HH12 ARG A 31 9.689 3.331 -16.558 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.409 6.158 -14.471 1.00 0.00 H new ATOM 0 HH22 ARG A 31 9.627 5.580 -16.126 1.00 0.00 H new ATOM 426 N CYS A 32 7.039 -2.392 -11.828 1.00 0.00 N ATOM 427 CA CYS A 32 7.254 -3.815 -11.595 1.00 0.00 C ATOM 428 C CYS A 32 6.256 -4.357 -10.576 1.00 0.00 C ATOM 429 O CYS A 32 6.050 -5.566 -10.477 1.00 0.00 O ATOM 430 CB CYS A 32 8.683 -4.064 -11.108 1.00 0.00 C ATOM 431 SG CYS A 32 9.141 -3.105 -9.629 1.00 0.00 S ATOM 0 H CYS A 32 7.027 -1.824 -10.981 1.00 0.00 H new ATOM 0 HA CYS A 32 7.103 -4.338 -12.539 1.00 0.00 H new ATOM 0 HB2 CYS A 32 8.802 -5.126 -10.891 1.00 0.00 H new ATOM 0 HB3 CYS A 32 9.377 -3.824 -11.913 1.00 0.00 H new ATOM 436 N GLN A 33 5.640 -3.453 -9.821 1.00 0.00 N ATOM 437 CA GLN A 33 4.664 -3.840 -8.809 1.00 0.00 C ATOM 438 C GLN A 33 5.274 -4.820 -7.812 1.00 0.00 C ATOM 439 O GLN A 33 4.572 -5.648 -7.232 1.00 0.00 O ATOM 440 CB GLN A 33 3.434 -4.465 -9.469 1.00 0.00 C ATOM 441 CG GLN A 33 2.959 -3.715 -10.703 1.00 0.00 C ATOM 442 CD GLN A 33 3.616 -4.212 -11.976 1.00 0.00 C ATOM 443 OE1 GLN A 33 3.228 -5.244 -12.526 1.00 0.00 O ATOM 444 NE2 GLN A 33 4.616 -3.480 -12.452 1.00 0.00 N ATOM 0 H GLN A 33 5.799 -2.448 -9.891 1.00 0.00 H new ATOM 0 HA GLN A 33 4.361 -2.942 -8.270 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.664 -5.494 -9.745 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.622 -4.504 -8.743 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.878 -3.818 -10.792 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.169 -2.652 -10.581 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.905 -2.632 -11.964 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.096 -3.766 -13.306 1.00 0.00 H new ATOM 453 N ASN A 34 6.585 -4.720 -7.617 1.00 0.00 N ATOM 454 CA ASN A 34 7.290 -5.598 -6.690 1.00 0.00 C ATOM 455 C ASN A 34 7.815 -4.815 -5.491 1.00 0.00 C ATOM 456 O ASN A 34 8.466 -5.374 -4.610 1.00 0.00 O ATOM 457 CB ASN A 34 8.447 -6.301 -7.402 1.00 0.00 C ATOM 458 CG ASN A 34 8.033 -7.627 -8.010 1.00 0.00 C ATOM 459 OD1 ASN A 34 8.438 -8.691 -7.542 1.00 0.00 O ATOM 460 ND2 ASN A 34 7.220 -7.569 -9.059 1.00 0.00 N ATOM 0 H ASN A 34 7.181 -4.040 -8.089 1.00 0.00 H new ATOM 0 HA ASN A 34 6.585 -6.347 -6.330 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.836 -5.651 -8.186 1.00 0.00 H new ATOM 0 HB3 ASN A 34 9.259 -6.467 -6.694 1.00 0.00 H new ATOM 0 HD21 ASN A 34 6.907 -8.429 -9.510 1.00 0.00 H new ATOM 0 HD22 ASN A 34 6.909 -6.665 -9.414 1.00 0.00 H new ATOM 467 N GLU A 35 7.527 -3.517 -5.467 1.00 0.00 N ATOM 468 CA GLU A 35 7.971 -2.658 -4.376 1.00 0.00 C ATOM 469 C GLU A 35 6.814 -1.821 -3.837 1.00 0.00 C ATOM 470 O GLU A 35 5.784 -1.672 -4.493 1.00 0.00 O ATOM 471 CB GLU A 35 9.102 -1.741 -4.847 1.00 0.00 C ATOM 472 CG GLU A 35 9.810 -1.016 -3.715 1.00 0.00 C ATOM 473 CD GLU A 35 10.235 -1.951 -2.599 1.00 0.00 C ATOM 474 OE1 GLU A 35 11.332 -2.539 -2.704 1.00 0.00 O ATOM 475 OE2 GLU A 35 9.471 -2.094 -1.622 1.00 0.00 O ATOM 0 H GLU A 35 6.989 -3.038 -6.190 1.00 0.00 H new ATOM 0 HA GLU A 35 8.341 -3.296 -3.573 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.831 -2.333 -5.400 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.696 -1.005 -5.541 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.688 -0.504 -4.109 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.149 -0.250 -3.310 1.00 0.00 H new ATOM 482 N TRP A 36 6.993 -1.278 -2.638 1.00 0.00 N ATOM 483 CA TRP A 36 5.964 -0.457 -2.010 1.00 0.00 C ATOM 484 C TRP A 36 6.477 0.956 -1.755 1.00 0.00 C ATOM 485 O TRP A 36 7.671 1.164 -1.534 1.00 0.00 O ATOM 486 CB TRP A 36 5.507 -1.092 -0.696 1.00 0.00 C ATOM 487 CG TRP A 36 4.676 -2.324 -0.890 1.00 0.00 C ATOM 488 CD1 TRP A 36 5.095 -3.620 -0.785 1.00 0.00 C ATOM 489 CD2 TRP A 36 3.285 -2.376 -1.224 1.00 0.00 C ATOM 490 NE1 TRP A 36 4.047 -4.474 -1.034 1.00 0.00 N ATOM 491 CE2 TRP A 36 2.926 -3.735 -1.305 1.00 0.00 C ATOM 492 CE3 TRP A 36 2.307 -1.406 -1.461 1.00 0.00 C ATOM 493 CZ2 TRP A 36 1.632 -4.146 -1.614 1.00 0.00 C ATOM 494 CZ3 TRP A 36 1.023 -1.815 -1.768 1.00 0.00 C ATOM 495 CH2 TRP A 36 0.695 -3.175 -1.841 1.00 0.00 C ATOM 0 H TRP A 36 7.840 -1.391 -2.082 1.00 0.00 H new ATOM 0 HA TRP A 36 5.115 -0.398 -2.691 1.00 0.00 H new ATOM 0 HB2 TRP A 36 6.383 -1.344 -0.098 1.00 0.00 H new ATOM 0 HB3 TRP A 36 4.933 -0.361 -0.128 1.00 0.00 H new ATOM 0 HD1 TRP A 36 6.101 -3.928 -0.542 1.00 0.00 H new ATOM 0 HE1 TRP A 36 4.096 -5.493 -1.019 1.00 0.00 H new ATOM 0 HE3 TRP A 36 2.550 -0.355 -1.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.377 -5.194 -1.672 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 0.260 -1.074 -1.955 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.318 -3.463 -2.081 1.00 0.00 H new ATOM 506 N TYR A 37 5.569 1.925 -1.785 1.00 0.00 N ATOM 507 CA TYR A 37 5.930 3.319 -1.558 1.00 0.00 C ATOM 508 C TYR A 37 4.729 4.120 -1.064 1.00 0.00 C ATOM 509 O TYR A 37 3.690 4.175 -1.723 1.00 0.00 O ATOM 510 CB TYR A 37 6.477 3.941 -2.844 1.00 0.00 C ATOM 511 CG TYR A 37 7.785 3.335 -3.302 1.00 0.00 C ATOM 512 CD1 TYR A 37 8.997 3.780 -2.788 1.00 0.00 C ATOM 513 CD2 TYR A 37 7.808 2.318 -4.248 1.00 0.00 C ATOM 514 CE1 TYR A 37 10.194 3.229 -3.203 1.00 0.00 C ATOM 515 CE2 TYR A 37 9.000 1.760 -4.668 1.00 0.00 C ATOM 516 CZ TYR A 37 10.190 2.219 -4.143 1.00 0.00 C ATOM 517 OH TYR A 37 11.380 1.667 -4.560 1.00 0.00 O ATOM 0 H TYR A 37 4.577 1.770 -1.964 1.00 0.00 H new ATOM 0 HA TYR A 37 6.703 3.347 -0.790 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.737 3.827 -3.636 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.617 5.011 -2.689 1.00 0.00 H new ATOM 0 HD1 TYR A 37 9.003 4.570 -2.052 1.00 0.00 H new ATOM 0 HD2 TYR A 37 6.878 1.957 -4.662 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.127 3.587 -2.794 1.00 0.00 H new ATOM 0 HE2 TYR A 37 9.000 0.969 -5.403 1.00 0.00 H new ATOM 0 HH TYR A 37 12.004 1.627 -3.806 1.00 0.00 H new ATOM 527 N CYS A 38 4.880 4.741 0.101 1.00 0.00 N ATOM 528 CA CYS A 38 3.810 5.540 0.686 1.00 0.00 C ATOM 529 C CYS A 38 3.393 6.665 -0.257 1.00 0.00 C ATOM 530 O CYS A 38 2.214 7.012 -0.342 1.00 0.00 O ATOM 531 CB CYS A 38 4.257 6.124 2.028 1.00 0.00 C ATOM 532 SG CYS A 38 5.425 7.514 1.882 1.00 0.00 S ATOM 0 H CYS A 38 5.733 4.706 0.659 1.00 0.00 H new ATOM 0 HA CYS A 38 2.951 4.889 0.848 1.00 0.00 H new ATOM 0 HB2 CYS A 38 3.377 6.459 2.577 1.00 0.00 H new ATOM 0 HB3 CYS A 38 4.721 5.334 2.619 1.00 0.00 H new ATOM 537 N CYS A 39 4.366 7.229 -0.962 1.00 0.00 N ATOM 538 CA CYS A 39 4.101 8.315 -1.899 1.00 0.00 C ATOM 539 C CYS A 39 4.927 8.151 -3.170 1.00 0.00 C ATOM 540 O CYS A 39 5.918 7.421 -3.188 1.00 0.00 O ATOM 541 CB CYS A 39 4.408 9.665 -1.248 1.00 0.00 C ATOM 542 SG CYS A 39 3.138 10.233 -0.093 1.00 0.00 S ATOM 0 H CYS A 39 5.346 6.953 -0.903 1.00 0.00 H new ATOM 0 HA CYS A 39 3.045 8.280 -2.167 1.00 0.00 H new ATOM 0 HB2 CYS A 39 5.359 9.594 -0.720 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.533 10.413 -2.030 1.00 0.00 H new ATOM 0 HG CYS A 39 2.343 9.246 0.197 1.00 0.00 H new ATOM 548 N ARG A 40 4.512 8.833 -4.232 1.00 0.00 N ATOM 549 CA ARG A 40 5.211 8.760 -5.509 1.00 0.00 C ATOM 550 C ARG A 40 6.652 9.243 -5.368 1.00 0.00 C ATOM 551 O ARG A 40 7.579 8.617 -5.880 1.00 0.00 O ATOM 552 CB ARG A 40 4.483 9.596 -6.563 1.00 0.00 C ATOM 553 CG ARG A 40 5.196 9.641 -7.905 1.00 0.00 C ATOM 554 CD ARG A 40 4.804 8.463 -8.783 1.00 0.00 C ATOM 555 NE ARG A 40 4.998 8.750 -10.202 1.00 0.00 N ATOM 556 CZ ARG A 40 5.141 7.810 -11.129 1.00 0.00 C ATOM 557 NH1 ARG A 40 5.111 6.529 -10.789 1.00 0.00 N ATOM 558 NH2 ARG A 40 5.314 8.150 -12.400 1.00 0.00 N ATOM 0 H ARG A 40 3.694 9.443 -4.233 1.00 0.00 H new ATOM 0 HA ARG A 40 5.224 7.718 -5.828 1.00 0.00 H new ATOM 0 HB2 ARG A 40 3.481 9.191 -6.707 1.00 0.00 H new ATOM 0 HB3 ARG A 40 4.365 10.613 -6.190 1.00 0.00 H new ATOM 0 HG2 ARG A 40 4.954 10.573 -8.416 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.274 9.635 -7.746 1.00 0.00 H new ATOM 0 HD2 ARG A 40 5.396 7.591 -8.505 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.759 8.209 -8.604 1.00 0.00 H new ATOM 0 HE ARG A 40 5.025 9.726 -10.497 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.978 6.263 -9.813 1.00 0.00 H new ATOM 0 HH12 ARG A 40 5.221 5.809 -11.503 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.337 9.134 -12.666 1.00 0.00 H new ATOM 0 HH22 ARG A 40 5.424 7.427 -13.111 1.00 0.00 H new ATOM 572 N GLU A 41 6.830 10.361 -4.670 1.00 0.00 N ATOM 573 CA GLU A 41 8.158 10.928 -4.463 1.00 0.00 C ATOM 574 C GLU A 41 9.143 9.854 -4.009 1.00 0.00 C ATOM 575 O GLU A 41 10.206 9.678 -4.606 1.00 0.00 O ATOM 576 CB GLU A 41 8.100 12.053 -3.428 1.00 0.00 C ATOM 577 CG GLU A 41 9.106 13.164 -3.681 1.00 0.00 C ATOM 578 CD GLU A 41 8.938 14.331 -2.728 1.00 0.00 C ATOM 579 OE1 GLU A 41 8.021 15.150 -2.947 1.00 0.00 O ATOM 580 OE2 GLU A 41 9.723 14.425 -1.761 1.00 0.00 O ATOM 0 H GLU A 41 6.073 10.891 -4.239 1.00 0.00 H new ATOM 0 HA GLU A 41 8.504 11.335 -5.413 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.096 12.478 -3.421 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.276 11.634 -2.437 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.115 12.764 -3.585 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.000 13.519 -4.706 1.00 0.00 H new ATOM 587 N CYS A 42 8.783 9.140 -2.948 1.00 0.00 N ATOM 588 CA CYS A 42 9.634 8.084 -2.412 1.00 0.00 C ATOM 589 C CYS A 42 10.001 7.077 -3.498 1.00 0.00 C ATOM 590 O CYS A 42 11.170 6.734 -3.670 1.00 0.00 O ATOM 591 CB CYS A 42 8.930 7.371 -1.256 1.00 0.00 C ATOM 592 SG CYS A 42 9.048 8.243 0.338 1.00 0.00 S ATOM 0 H CYS A 42 7.907 9.273 -2.442 1.00 0.00 H new ATOM 0 HA CYS A 42 10.551 8.543 -2.042 1.00 0.00 H new ATOM 0 HB2 CYS A 42 7.878 7.242 -1.510 1.00 0.00 H new ATOM 0 HB3 CYS A 42 9.356 6.374 -1.145 1.00 0.00 H new ATOM 597 N GLN A 43 8.994 6.608 -4.228 1.00 0.00 N ATOM 598 CA GLN A 43 9.211 5.641 -5.297 1.00 0.00 C ATOM 599 C GLN A 43 10.190 6.184 -6.332 1.00 0.00 C ATOM 600 O GLN A 43 10.734 5.432 -7.141 1.00 0.00 O ATOM 601 CB GLN A 43 7.883 5.285 -5.969 1.00 0.00 C ATOM 602 CG GLN A 43 8.018 4.243 -7.067 1.00 0.00 C ATOM 603 CD GLN A 43 6.757 4.104 -7.897 1.00 0.00 C ATOM 604 OE1 GLN A 43 5.681 4.546 -7.492 1.00 0.00 O ATOM 605 NE2 GLN A 43 6.882 3.488 -9.067 1.00 0.00 N ATOM 0 H GLN A 43 8.020 6.882 -4.098 1.00 0.00 H new ATOM 0 HA GLN A 43 9.640 4.741 -4.857 1.00 0.00 H new ATOM 0 HB2 GLN A 43 7.190 4.916 -5.213 1.00 0.00 H new ATOM 0 HB3 GLN A 43 7.444 6.190 -6.390 1.00 0.00 H new ATOM 0 HG2 GLN A 43 8.849 4.513 -7.718 1.00 0.00 H new ATOM 0 HG3 GLN A 43 8.263 3.279 -6.620 1.00 0.00 H new ATOM 0 HE21 GLN A 43 7.793 3.137 -9.364 1.00 0.00 H new ATOM 0 HE22 GLN A 43 6.067 3.366 -9.669 1.00 0.00 H new ATOM 614 N VAL A 44 10.409 7.494 -6.301 1.00 0.00 N ATOM 615 CA VAL A 44 11.324 8.138 -7.237 1.00 0.00 C ATOM 616 C VAL A 44 12.683 8.388 -6.594 1.00 0.00 C ATOM 617 O VAL A 44 13.720 8.293 -7.250 1.00 0.00 O ATOM 618 CB VAL A 44 10.755 9.476 -7.746 1.00 0.00 C ATOM 619 CG1 VAL A 44 11.679 10.087 -8.789 1.00 0.00 C ATOM 620 CG2 VAL A 44 9.356 9.280 -8.310 1.00 0.00 C ATOM 0 H VAL A 44 9.966 8.131 -5.638 1.00 0.00 H new ATOM 0 HA VAL A 44 11.445 7.458 -8.080 1.00 0.00 H new ATOM 0 HB VAL A 44 10.689 10.166 -6.905 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.261 11.031 -9.137 1.00 0.00 H new ATOM 0 HG12 VAL A 44 12.659 10.265 -8.347 1.00 0.00 H new ATOM 0 HG13 VAL A 44 11.780 9.403 -9.631 1.00 0.00 H new ATOM 0 HG21 VAL A 44 8.970 10.235 -8.665 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.394 8.573 -9.139 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.701 8.891 -7.531 1.00 0.00 H new ATOM 630 N LYS A 45 12.671 8.707 -5.304 1.00 0.00 N ATOM 631 CA LYS A 45 13.903 8.969 -4.569 1.00 0.00 C ATOM 632 C LYS A 45 14.732 7.697 -4.425 1.00 0.00 C ATOM 633 O LYS A 45 15.941 7.702 -4.658 1.00 0.00 O ATOM 634 CB LYS A 45 13.583 9.541 -3.185 1.00 0.00 C ATOM 635 CG LYS A 45 12.863 10.877 -3.231 1.00 0.00 C ATOM 636 CD LYS A 45 12.725 11.484 -1.845 1.00 0.00 C ATOM 637 CE LYS A 45 11.938 12.785 -1.882 1.00 0.00 C ATOM 638 NZ LYS A 45 12.373 13.727 -0.814 1.00 0.00 N ATOM 0 H LYS A 45 11.821 8.790 -4.746 1.00 0.00 H new ATOM 0 HA LYS A 45 14.485 9.699 -5.132 1.00 0.00 H new ATOM 0 HB2 LYS A 45 12.969 8.825 -2.638 1.00 0.00 H new ATOM 0 HB3 LYS A 45 14.511 9.657 -2.626 1.00 0.00 H new ATOM 0 HG2 LYS A 45 13.410 11.564 -3.877 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.875 10.744 -3.671 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.227 10.775 -1.184 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.715 11.668 -1.427 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.063 13.258 -2.856 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.876 12.570 -1.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.612 14.409 -0.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.587 13.194 0.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.224 14.236 -1.126 1.00 0.00 H new ATOM 652 N HIS A 46 14.074 6.607 -4.042 1.00 0.00 N ATOM 653 CA HIS A 46 14.751 5.326 -3.870 1.00 0.00 C ATOM 654 C HIS A 46 15.090 4.705 -5.222 1.00 0.00 C ATOM 655 O HIS A 46 15.840 3.732 -5.298 1.00 0.00 O ATOM 656 CB HIS A 46 13.876 4.368 -3.061 1.00 0.00 C ATOM 657 CG HIS A 46 14.472 3.003 -2.902 1.00 0.00 C ATOM 658 ND1 HIS A 46 13.888 1.863 -3.414 1.00 0.00 N ATOM 659 CD2 HIS A 46 15.607 2.598 -2.285 1.00 0.00 C ATOM 660 CE1 HIS A 46 14.638 0.816 -3.118 1.00 0.00 C ATOM 661 NE2 HIS A 46 15.687 1.235 -2.433 1.00 0.00 N ATOM 0 H HIS A 46 13.073 6.585 -3.845 1.00 0.00 H new ATOM 0 HA HIS A 46 15.680 5.504 -3.328 1.00 0.00 H new ATOM 0 HB2 HIS A 46 13.699 4.796 -2.074 1.00 0.00 H new ATOM 0 HB3 HIS A 46 12.905 4.277 -3.547 1.00 0.00 H new ATOM 0 HD2 HIS A 46 16.317 3.229 -1.772 1.00 0.00 H new ATOM 0 HE1 HIS A 46 14.429 -0.208 -3.390 1.00 0.00 H new ATOM 0 HE2 HIS A 46 16.435 0.642 -2.073 1.00 0.00 H new ATOM 669 N TRP A 47 14.533 5.273 -6.285 1.00 0.00 N ATOM 670 CA TRP A 47 14.776 4.775 -7.634 1.00 0.00 C ATOM 671 C TRP A 47 16.238 4.380 -7.813 1.00 0.00 C ATOM 672 O TRP A 47 16.543 3.246 -8.182 1.00 0.00 O ATOM 673 CB TRP A 47 14.391 5.833 -8.668 1.00 0.00 C ATOM 674 CG TRP A 47 14.514 5.353 -10.083 1.00 0.00 C ATOM 675 CD1 TRP A 47 15.437 5.753 -11.007 1.00 0.00 C ATOM 676 CD2 TRP A 47 13.684 4.386 -10.735 1.00 0.00 C ATOM 677 NE1 TRP A 47 15.231 5.092 -12.193 1.00 0.00 N ATOM 678 CE2 TRP A 47 14.162 4.247 -12.053 1.00 0.00 C ATOM 679 CE3 TRP A 47 12.585 3.622 -10.334 1.00 0.00 C ATOM 680 CZ2 TRP A 47 13.578 3.376 -12.969 1.00 0.00 C ATOM 681 CZ3 TRP A 47 12.006 2.759 -11.244 1.00 0.00 C ATOM 682 CH2 TRP A 47 12.503 2.641 -12.549 1.00 0.00 C ATOM 0 H TRP A 47 13.910 6.079 -6.239 1.00 0.00 H new ATOM 0 HA TRP A 47 14.158 3.889 -7.784 1.00 0.00 H new ATOM 0 HB2 TRP A 47 13.364 6.150 -8.487 1.00 0.00 H new ATOM 0 HB3 TRP A 47 15.024 6.710 -8.533 1.00 0.00 H new ATOM 0 HD1 TRP A 47 16.214 6.482 -10.831 1.00 0.00 H new ATOM 0 HE1 TRP A 47 15.785 5.211 -13.041 1.00 0.00 H new ATOM 0 HE3 TRP A 47 12.195 3.705 -9.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 13.960 3.284 -13.975 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 11.155 2.165 -10.945 1.00 0.00 H new ATOM 0 HH2 TRP A 47 12.028 1.957 -13.237 1.00 0.00 H new ATOM 693 N GLU A 48 17.138 5.322 -7.548 1.00 0.00 N ATOM 694 CA GLU A 48 18.568 5.071 -7.681 1.00 0.00 C ATOM 695 C GLU A 48 18.910 3.642 -7.268 1.00 0.00 C ATOM 696 O GLU A 48 19.781 3.004 -7.859 1.00 0.00 O ATOM 697 CB GLU A 48 19.364 6.064 -6.832 1.00 0.00 C ATOM 698 CG GLU A 48 20.865 5.993 -7.059 1.00 0.00 C ATOM 699 CD GLU A 48 21.587 7.236 -6.578 1.00 0.00 C ATOM 700 OE1 GLU A 48 21.343 8.322 -7.144 1.00 0.00 O ATOM 701 OE2 GLU A 48 22.397 7.122 -5.634 1.00 0.00 O ATOM 0 H GLU A 48 16.902 6.265 -7.240 1.00 0.00 H new ATOM 0 HA GLU A 48 18.838 5.202 -8.729 1.00 0.00 H new ATOM 0 HB2 GLU A 48 19.019 7.075 -7.051 1.00 0.00 H new ATOM 0 HB3 GLU A 48 19.155 5.878 -5.779 1.00 0.00 H new ATOM 0 HG2 GLU A 48 21.266 5.121 -6.542 1.00 0.00 H new ATOM 0 HG3 GLU A 48 21.062 5.851 -8.122 1.00 0.00 H new ATOM 708 N LYS A 49 18.218 3.146 -6.247 1.00 0.00 N ATOM 709 CA LYS A 49 18.446 1.794 -5.753 1.00 0.00 C ATOM 710 C LYS A 49 17.420 0.824 -6.330 1.00 0.00 C ATOM 711 O LYS A 49 17.760 -0.292 -6.727 1.00 0.00 O ATOM 712 CB LYS A 49 18.383 1.770 -4.224 1.00 0.00 C ATOM 713 CG LYS A 49 19.145 2.907 -3.566 1.00 0.00 C ATOM 714 CD LYS A 49 19.251 2.712 -2.063 1.00 0.00 C ATOM 715 CE LYS A 49 20.547 2.013 -1.681 1.00 0.00 C ATOM 716 NZ LYS A 49 21.625 2.986 -1.351 1.00 0.00 N ATOM 0 H LYS A 49 17.494 3.661 -5.746 1.00 0.00 H new ATOM 0 HA LYS A 49 19.439 1.479 -6.074 1.00 0.00 H new ATOM 0 HB2 LYS A 49 17.340 1.814 -3.911 1.00 0.00 H new ATOM 0 HB3 LYS A 49 18.783 0.821 -3.867 1.00 0.00 H new ATOM 0 HG2 LYS A 49 20.144 2.973 -3.996 1.00 0.00 H new ATOM 0 HG3 LYS A 49 18.644 3.852 -3.777 1.00 0.00 H new ATOM 0 HD2 LYS A 49 19.198 3.680 -1.565 1.00 0.00 H new ATOM 0 HD3 LYS A 49 18.403 2.125 -1.711 1.00 0.00 H new ATOM 0 HE2 LYS A 49 20.370 1.363 -0.824 1.00 0.00 H new ATOM 0 HE3 LYS A 49 20.872 1.376 -2.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 22.492 2.471 -1.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 21.812 3.590 -2.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 21.325 3.577 -0.550 1.00 0.00 H new ATOM 730 N HIS A 50 16.164 1.255 -6.375 1.00 0.00 N ATOM 731 CA HIS A 50 15.088 0.425 -6.905 1.00 0.00 C ATOM 732 C HIS A 50 15.316 0.120 -8.383 1.00 0.00 C ATOM 733 O HIS A 50 15.393 -1.041 -8.782 1.00 0.00 O ATOM 734 CB HIS A 50 13.739 1.120 -6.718 1.00 0.00 C ATOM 735 CG HIS A 50 12.569 0.273 -7.115 1.00 0.00 C ATOM 736 ND1 HIS A 50 12.411 -1.033 -6.701 1.00 0.00 N ATOM 737 CD2 HIS A 50 11.497 0.553 -7.891 1.00 0.00 C ATOM 738 CE1 HIS A 50 11.292 -1.520 -7.207 1.00 0.00 C ATOM 739 NE2 HIS A 50 10.718 -0.577 -7.932 1.00 0.00 N ATOM 0 H HIS A 50 15.866 2.175 -6.051 1.00 0.00 H new ATOM 0 HA HIS A 50 15.083 -0.515 -6.354 1.00 0.00 H new ATOM 0 HB2 HIS A 50 13.630 1.409 -5.673 1.00 0.00 H new ATOM 0 HB3 HIS A 50 13.728 2.038 -7.305 1.00 0.00 H new ATOM 0 HD2 HIS A 50 11.292 1.491 -8.386 1.00 0.00 H new ATOM 0 HE1 HIS A 50 10.911 -2.519 -7.054 1.00 0.00 H new ATOM 0 HE2 HIS A 50 9.839 -0.673 -8.440 1.00 0.00 H new ATOM 747 N GLY A 51 15.423 1.171 -9.190 1.00 0.00 N ATOM 748 CA GLY A 51 15.640 0.994 -10.614 1.00 0.00 C ATOM 749 C GLY A 51 16.567 -0.166 -10.919 1.00 0.00 C ATOM 750 O GLY A 51 16.448 -0.808 -11.963 1.00 0.00 O ATOM 0 H GLY A 51 15.363 2.142 -8.883 1.00 0.00 H new ATOM 0 HA2 GLY A 51 14.682 0.829 -11.107 1.00 0.00 H new ATOM 0 HA3 GLY A 51 16.059 1.910 -11.031 1.00 0.00 H new ATOM 754 N LYS A 52 17.496 -0.435 -10.008 1.00 0.00 N ATOM 755 CA LYS A 52 18.448 -1.525 -10.184 1.00 0.00 C ATOM 756 C LYS A 52 17.725 -2.850 -10.399 1.00 0.00 C ATOM 757 O LYS A 52 18.031 -3.593 -11.332 1.00 0.00 O ATOM 758 CB LYS A 52 19.369 -1.626 -8.966 1.00 0.00 C ATOM 759 CG LYS A 52 20.248 -0.404 -8.764 1.00 0.00 C ATOM 760 CD LYS A 52 21.421 -0.705 -7.847 1.00 0.00 C ATOM 761 CE LYS A 52 22.079 0.571 -7.345 1.00 0.00 C ATOM 762 NZ LYS A 52 23.093 1.087 -8.306 1.00 0.00 N ATOM 0 H LYS A 52 17.610 0.088 -9.139 1.00 0.00 H new ATOM 0 HA LYS A 52 19.047 -1.311 -11.069 1.00 0.00 H new ATOM 0 HB2 LYS A 52 18.762 -1.778 -8.074 1.00 0.00 H new ATOM 0 HB3 LYS A 52 20.004 -2.506 -9.073 1.00 0.00 H new ATOM 0 HG2 LYS A 52 20.619 -0.058 -9.729 1.00 0.00 H new ATOM 0 HG3 LYS A 52 19.654 0.407 -8.342 1.00 0.00 H new ATOM 0 HD2 LYS A 52 21.078 -1.297 -6.998 1.00 0.00 H new ATOM 0 HD3 LYS A 52 22.155 -1.309 -8.380 1.00 0.00 H new ATOM 0 HE2 LYS A 52 21.316 1.332 -7.178 1.00 0.00 H new ATOM 0 HE3 LYS A 52 22.554 0.380 -6.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 23.519 1.957 -7.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 23.835 0.371 -8.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 22.635 1.293 -9.217 1.00 0.00 H new ATOM 776 N THR A 53 16.761 -3.141 -9.531 1.00 0.00 N ATOM 777 CA THR A 53 15.994 -4.376 -9.626 1.00 0.00 C ATOM 778 C THR A 53 14.636 -4.132 -10.274 1.00 0.00 C ATOM 779 O THR A 53 13.904 -5.073 -10.582 1.00 0.00 O ATOM 780 CB THR A 53 15.780 -5.014 -8.240 1.00 0.00 C ATOM 781 OG1 THR A 53 14.821 -4.256 -7.494 1.00 0.00 O ATOM 782 CG2 THR A 53 17.090 -5.083 -7.469 1.00 0.00 C ATOM 0 H THR A 53 16.493 -2.537 -8.754 1.00 0.00 H new ATOM 0 HA THR A 53 16.573 -5.059 -10.247 1.00 0.00 H new ATOM 0 HB THR A 53 15.407 -6.028 -8.385 1.00 0.00 H new ATOM 0 HG1 THR A 53 14.690 -4.669 -6.615 1.00 0.00 H new ATOM 0 HG21 THR A 53 16.915 -5.537 -6.494 1.00 0.00 H new ATOM 0 HG22 THR A 53 17.808 -5.685 -8.025 1.00 0.00 H new ATOM 0 HG23 THR A 53 17.487 -4.077 -7.335 1.00 0.00 H new ATOM 790 N CYS A 54 14.304 -2.861 -10.481 1.00 0.00 N ATOM 791 CA CYS A 54 13.034 -2.492 -11.093 1.00 0.00 C ATOM 792 C CYS A 54 12.855 -3.190 -12.438 1.00 0.00 C ATOM 793 O CYS A 54 13.796 -3.774 -12.976 1.00 0.00 O ATOM 794 CB CYS A 54 12.956 -0.975 -11.279 1.00 0.00 C ATOM 795 SG CYS A 54 11.277 -0.353 -11.615 1.00 0.00 S ATOM 0 H CYS A 54 14.898 -2.070 -10.233 1.00 0.00 H new ATOM 0 HA CYS A 54 12.232 -2.812 -10.428 1.00 0.00 H new ATOM 0 HB2 CYS A 54 13.339 -0.489 -10.381 1.00 0.00 H new ATOM 0 HB3 CYS A 54 13.610 -0.686 -12.102 1.00 0.00 H new ATOM 800 N SER A 55 11.641 -3.126 -12.975 1.00 0.00 N ATOM 801 CA SER A 55 11.337 -3.755 -14.255 1.00 0.00 C ATOM 802 C SER A 55 11.817 -5.203 -14.277 1.00 0.00 C ATOM 803 O SER A 55 12.339 -5.680 -15.283 1.00 0.00 O ATOM 804 CB SER A 55 11.986 -2.973 -15.398 1.00 0.00 C ATOM 805 OG SER A 55 11.115 -1.968 -15.889 1.00 0.00 O ATOM 0 H SER A 55 10.852 -2.645 -12.544 1.00 0.00 H new ATOM 0 HA SER A 55 10.255 -3.748 -14.387 1.00 0.00 H new ATOM 0 HB2 SER A 55 12.913 -2.517 -15.050 1.00 0.00 H new ATOM 0 HB3 SER A 55 12.250 -3.656 -16.206 1.00 0.00 H new ATOM 0 HG SER A 55 11.554 -1.482 -16.618 1.00 0.00 H new ATOM 811 N GLY A 56 11.637 -5.896 -13.157 1.00 0.00 N ATOM 812 CA GLY A 56 12.057 -7.282 -13.067 1.00 0.00 C ATOM 813 C GLY A 56 11.382 -8.161 -14.101 1.00 0.00 C ATOM 814 O GLY A 56 11.674 -8.089 -15.294 1.00 0.00 O ATOM 0 H GLY A 56 11.208 -5.522 -12.310 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.138 -7.340 -13.195 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.834 -7.662 -12.070 1.00 0.00 H new ATOM 818 N PRO A 57 10.455 -9.016 -13.642 1.00 0.00 N ATOM 819 CA PRO A 57 9.718 -9.930 -14.520 1.00 0.00 C ATOM 820 C PRO A 57 8.734 -9.196 -15.425 1.00 0.00 C ATOM 821 O PRO A 57 7.749 -8.627 -14.956 1.00 0.00 O ATOM 822 CB PRO A 57 8.969 -10.836 -13.539 1.00 0.00 C ATOM 823 CG PRO A 57 8.827 -10.019 -12.302 1.00 0.00 C ATOM 824 CD PRO A 57 10.056 -9.156 -12.232 1.00 0.00 C ATOM 0 HA PRO A 57 10.381 -10.468 -15.198 1.00 0.00 H new ATOM 0 HB2 PRO A 57 7.996 -11.129 -13.934 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.524 -11.754 -13.346 1.00 0.00 H new ATOM 0 HG2 PRO A 57 7.924 -9.410 -12.338 1.00 0.00 H new ATOM 0 HG3 PRO A 57 8.747 -10.656 -11.421 1.00 0.00 H new ATOM 0 HD2 PRO A 57 9.843 -8.189 -11.777 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.841 -9.622 -11.637 1.00 0.00 H new ATOM 832 N SER A 58 9.008 -9.215 -16.726 1.00 0.00 N ATOM 833 CA SER A 58 8.149 -8.548 -17.697 1.00 0.00 C ATOM 834 C SER A 58 7.771 -9.498 -18.830 1.00 0.00 C ATOM 835 O SER A 58 8.267 -10.622 -18.904 1.00 0.00 O ATOM 836 CB SER A 58 8.848 -7.311 -18.265 1.00 0.00 C ATOM 837 OG SER A 58 7.936 -6.491 -18.974 1.00 0.00 O ATOM 0 H SER A 58 9.818 -9.685 -17.131 1.00 0.00 H new ATOM 0 HA SER A 58 7.238 -8.238 -17.186 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.300 -6.740 -17.454 1.00 0.00 H new ATOM 0 HB3 SER A 58 9.657 -7.619 -18.928 1.00 0.00 H new ATOM 0 HG SER A 58 8.407 -5.707 -19.326 1.00 0.00 H new ATOM 843 N SER A 59 6.890 -9.036 -19.712 1.00 0.00 N ATOM 844 CA SER A 59 6.442 -9.845 -20.840 1.00 0.00 C ATOM 845 C SER A 59 7.571 -10.734 -21.353 1.00 0.00 C ATOM 846 O SER A 59 7.361 -11.905 -21.665 1.00 0.00 O ATOM 847 CB SER A 59 5.933 -8.946 -21.969 1.00 0.00 C ATOM 848 OG SER A 59 6.987 -8.183 -22.529 1.00 0.00 O ATOM 0 H SER A 59 6.473 -8.106 -19.667 1.00 0.00 H new ATOM 0 HA SER A 59 5.627 -10.483 -20.497 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.471 -9.557 -22.744 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.161 -8.279 -21.586 1.00 0.00 H new ATOM 0 HG SER A 59 6.636 -7.619 -23.249 1.00 0.00 H new ATOM 854 N GLY A 60 8.771 -10.167 -21.439 1.00 0.00 N ATOM 855 CA GLY A 60 9.916 -10.921 -21.915 1.00 0.00 C ATOM 856 C GLY A 60 10.338 -12.007 -20.946 1.00 0.00 C ATOM 857 O GLY A 60 10.681 -11.693 -19.807 1.00 0.00 O ATOM 0 H GLY A 60 8.970 -9.199 -21.187 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.676 -11.371 -22.878 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.752 -10.241 -22.080 1.00 0.00 H new TER 861 GLY A 60 HETATM 862 ZN ZN A 201 9.694 -0.883 -10.002 1.00 0.00 ZN HETATM 863 ZN ZN A 401 7.664 6.937 1.697 1.00 0.00 ZN