USER MOD reduce.3.24.130724 H: found=0, std=0, add=377, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 377 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 41 THR OG1 : rot -139:sc= 0.768 USER MOD Set 1.2: A 49 THR OG1 : rot -4:sc= 0.469 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0.579 K(o=0.58,f=-4.7!) USER MOD Single : A 21 HIS : no HD1:sc= -0.389 K(o=-0.39,f=-0.94) USER MOD Single : A 24 SER OG : rot 97:sc= 0.445 USER MOD Single : A 26 HIS : no HE2:sc= 0.184 K(o=0.18,f=-3.7!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0.295 K(o=0.3,f=-7.5!) USER MOD Single : A 39 GLN : amide:sc= -0.495 X(o=-0.49,f=-0.5) USER MOD Single : A 46 THR OG1 : rot -80:sc= 1.14 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 28 N CYS A 3 -13.299 -0.326 0.482 1.00 0.00 N ATOM 29 CA CYS A 3 -12.024 -0.985 0.256 1.00 0.00 C ATOM 30 C CYS A 3 -12.136 -2.015 -0.867 1.00 0.00 C ATOM 31 O CYS A 3 -12.501 -3.167 -0.621 1.00 0.00 O ATOM 32 CB CYS A 3 -11.555 -1.648 1.546 1.00 0.00 C ATOM 33 SG CYS A 3 -12.792 -2.624 2.440 1.00 0.00 S ATOM 0 HA CYS A 3 -11.291 -0.238 -0.048 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -10.712 -2.297 1.310 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -11.183 -0.872 2.214 1.00 0.00 H new ATOM 38 N PRO A 4 -11.823 -1.614 -2.104 1.00 0.00 N ATOM 39 CA PRO A 4 -11.757 -2.499 -3.250 1.00 0.00 C ATOM 40 C PRO A 4 -10.488 -3.348 -3.181 1.00 0.00 C ATOM 41 O PRO A 4 -9.621 -3.119 -2.335 1.00 0.00 O ATOM 42 CB PRO A 4 -11.760 -1.575 -4.464 1.00 0.00 C ATOM 43 CG PRO A 4 -11.072 -0.315 -3.940 1.00 0.00 C ATOM 44 CD PRO A 4 -11.504 -0.251 -2.479 1.00 0.00 C ATOM 0 HA PRO A 4 -12.589 -3.202 -3.293 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -11.219 -2.011 -5.304 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -12.772 -1.367 -4.810 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -9.988 -0.381 -4.035 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -11.387 0.572 -4.490 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -10.708 0.151 -1.853 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -12.368 0.402 -2.354 1.00 0.00 H new ATOM 52 N THR A 5 -10.377 -4.334 -4.076 1.00 0.00 N ATOM 53 CA THR A 5 -9.225 -5.226 -4.120 1.00 0.00 C ATOM 54 C THR A 5 -8.523 -5.082 -5.464 1.00 0.00 C ATOM 55 O THR A 5 -9.133 -5.321 -6.503 1.00 0.00 O ATOM 56 CB THR A 5 -9.674 -6.674 -3.900 1.00 0.00 C ATOM 57 OG1 THR A 5 -10.454 -6.760 -2.727 1.00 0.00 O ATOM 58 CG2 THR A 5 -8.462 -7.588 -3.758 1.00 0.00 C ATOM 0 H THR A 5 -11.082 -4.532 -4.786 1.00 0.00 H new ATOM 0 HA THR A 5 -8.528 -4.959 -3.326 1.00 0.00 H new ATOM 0 HB THR A 5 -10.264 -6.988 -4.761 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.740 -7.687 -2.592 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.796 -8.614 -3.602 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.859 -7.536 -4.665 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.863 -7.268 -2.905 1.00 0.00 H new ATOM 66 N ARG A 6 -7.243 -4.698 -5.442 1.00 0.00 N ATOM 67 CA ARG A 6 -6.416 -4.564 -6.635 1.00 0.00 C ATOM 68 C ARG A 6 -5.046 -5.174 -6.372 1.00 0.00 C ATOM 69 O ARG A 6 -4.476 -4.966 -5.303 1.00 0.00 O ATOM 70 CB ARG A 6 -6.252 -3.084 -6.998 1.00 0.00 C ATOM 71 CG ARG A 6 -7.553 -2.361 -7.362 1.00 0.00 C ATOM 72 CD ARG A 6 -8.032 -2.692 -8.777 1.00 0.00 C ATOM 73 NE ARG A 6 -8.581 -4.047 -8.874 1.00 0.00 N ATOM 74 CZ ARG A 6 -8.748 -4.717 -10.018 1.00 0.00 C ATOM 75 NH1 ARG A 6 -8.418 -4.172 -11.185 1.00 0.00 N ATOM 76 NH2 ARG A 6 -9.252 -5.947 -9.992 1.00 0.00 N ATOM 0 H ARG A 6 -6.749 -4.469 -4.579 1.00 0.00 H new ATOM 0 HA ARG A 6 -6.898 -5.083 -7.463 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.790 -2.568 -6.157 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.562 -3.005 -7.838 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -8.329 -2.634 -6.646 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -7.403 -1.285 -7.275 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -8.792 -1.972 -9.079 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -7.200 -2.588 -9.474 1.00 0.00 H new ATOM 0 HE ARG A 6 -8.855 -4.511 -8.008 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -8.031 -3.229 -11.216 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -8.552 -4.697 -12.049 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -9.509 -6.374 -9.102 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -9.382 -6.463 -10.862 1.00 0.00 H new ATOM 90 N ARG A 7 -4.522 -5.924 -7.345 1.00 0.00 N ATOM 91 CA ARG A 7 -3.223 -6.586 -7.255 1.00 0.00 C ATOM 92 C ARG A 7 -2.500 -6.478 -8.592 1.00 0.00 C ATOM 93 O ARG A 7 -3.124 -6.195 -9.614 1.00 0.00 O ATOM 94 CB ARG A 7 -3.422 -8.056 -6.874 1.00 0.00 C ATOM 95 CG ARG A 7 -4.046 -8.215 -5.485 1.00 0.00 C ATOM 96 CD ARG A 7 -3.117 -7.663 -4.400 1.00 0.00 C ATOM 97 NE ARG A 7 -3.642 -7.948 -3.061 1.00 0.00 N ATOM 98 CZ ARG A 7 -4.312 -7.090 -2.285 1.00 0.00 C ATOM 99 NH1 ARG A 7 -4.569 -5.846 -2.687 1.00 0.00 N ATOM 100 NH2 ARG A 7 -4.731 -7.474 -1.084 1.00 0.00 N ATOM 0 H ARG A 7 -4.999 -6.089 -8.231 1.00 0.00 H new ATOM 0 HA ARG A 7 -2.618 -6.102 -6.488 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -4.060 -8.538 -7.614 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.461 -8.569 -6.899 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -5.002 -7.693 -5.450 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -4.250 -9.268 -5.293 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.126 -8.104 -4.507 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.003 -6.587 -4.528 1.00 0.00 H new ATOM 0 HE ARG A 7 -3.482 -8.884 -2.689 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.253 -5.531 -3.604 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -5.082 -5.209 -2.078 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -4.541 -8.421 -0.756 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -5.242 -6.822 -0.490 1.00 0.00 H new ATOM 114 N GLY A 8 -1.183 -6.701 -8.596 1.00 0.00 N ATOM 115 CA GLY A 8 -0.391 -6.637 -9.819 1.00 0.00 C ATOM 116 C GLY A 8 -0.195 -5.201 -10.300 1.00 0.00 C ATOM 117 O GLY A 8 0.162 -4.981 -11.456 1.00 0.00 O ATOM 0 H GLY A 8 -0.644 -6.928 -7.760 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.582 -7.097 -9.645 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -0.883 -7.217 -10.600 1.00 0.00 H new ATOM 121 N LEU A 9 -0.426 -4.217 -9.420 1.00 0.00 N ATOM 122 CA LEU A 9 -0.339 -2.806 -9.770 1.00 0.00 C ATOM 123 C LEU A 9 1.054 -2.428 -10.275 1.00 0.00 C ATOM 124 O LEU A 9 1.194 -1.457 -11.014 1.00 0.00 O ATOM 125 CB LEU A 9 -0.700 -1.976 -8.532 1.00 0.00 C ATOM 126 CG LEU A 9 -2.166 -2.155 -8.125 1.00 0.00 C ATOM 127 CD1 LEU A 9 -2.392 -1.516 -6.759 1.00 0.00 C ATOM 128 CD2 LEU A 9 -3.095 -1.476 -9.132 1.00 0.00 C ATOM 0 H LEU A 9 -0.678 -4.385 -8.446 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.036 -2.602 -10.582 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.056 -2.265 -7.702 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.506 -0.922 -8.733 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.385 -3.222 -8.094 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.434 -1.642 -6.467 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.748 -1.996 -6.022 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.155 -0.453 -6.811 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.131 -1.616 -8.823 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.870 -0.410 -9.174 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.948 -1.917 -10.118 1.00 0.00 H new ATOM 140 N CYS A 10 2.084 -3.188 -9.891 1.00 0.00 N ATOM 141 CA CYS A 10 3.457 -2.936 -10.308 1.00 0.00 C ATOM 142 C CYS A 10 3.708 -3.386 -11.752 1.00 0.00 C ATOM 143 O CYS A 10 4.836 -3.291 -12.230 1.00 0.00 O ATOM 144 CB CYS A 10 4.411 -3.628 -9.332 1.00 0.00 C ATOM 145 SG CYS A 10 4.448 -2.891 -7.677 1.00 0.00 S ATOM 0 H CYS A 10 1.983 -3.998 -9.279 1.00 0.00 H new ATOM 0 HA CYS A 10 3.639 -1.861 -10.287 1.00 0.00 H new ATOM 0 HB2 CYS A 10 4.125 -4.676 -9.244 1.00 0.00 H new ATOM 0 HB3 CYS A 10 5.418 -3.606 -9.749 1.00 0.00 H new ATOM 150 N VAL A 11 2.674 -3.876 -12.446 1.00 0.00 N ATOM 151 CA VAL A 11 2.797 -4.338 -13.829 1.00 0.00 C ATOM 152 C VAL A 11 1.753 -3.680 -14.728 1.00 0.00 C ATOM 153 O VAL A 11 1.971 -3.550 -15.933 1.00 0.00 O ATOM 154 CB VAL A 11 2.646 -5.864 -13.870 1.00 0.00 C ATOM 155 CG1 VAL A 11 2.880 -6.410 -15.279 1.00 0.00 C ATOM 156 CG2 VAL A 11 3.653 -6.532 -12.939 1.00 0.00 C ATOM 0 H VAL A 11 1.732 -3.962 -12.064 1.00 0.00 H new ATOM 0 HA VAL A 11 3.781 -4.056 -14.203 1.00 0.00 H new ATOM 0 HB VAL A 11 1.628 -6.087 -13.552 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.765 -7.494 -15.273 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.154 -5.972 -15.964 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.888 -6.154 -15.606 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.528 -7.614 -12.984 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.665 -6.270 -13.249 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.487 -6.190 -11.918 1.00 0.00 H new ATOM 166 N THR A 12 0.618 -3.255 -14.163 1.00 0.00 N ATOM 167 CA THR A 12 -0.461 -2.661 -14.945 1.00 0.00 C ATOM 168 C THR A 12 -0.383 -1.135 -14.960 1.00 0.00 C ATOM 169 O THR A 12 -0.949 -0.506 -15.853 1.00 0.00 O ATOM 170 CB THR A 12 -1.812 -3.113 -14.384 1.00 0.00 C ATOM 171 OG1 THR A 12 -1.912 -2.750 -13.023 1.00 0.00 O ATOM 172 CG2 THR A 12 -1.973 -4.628 -14.506 1.00 0.00 C ATOM 0 H THR A 12 0.427 -3.314 -13.163 1.00 0.00 H new ATOM 0 HA THR A 12 -0.355 -3.003 -15.975 1.00 0.00 H new ATOM 0 HB THR A 12 -2.598 -2.625 -14.960 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.779 -3.040 -12.670 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.940 -4.925 -14.101 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.915 -4.917 -15.555 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.178 -5.124 -13.949 1.00 0.00 H new ATOM 180 N SER A 13 0.307 -0.533 -13.983 1.00 0.00 N ATOM 181 CA SER A 13 0.436 0.912 -13.888 1.00 0.00 C ATOM 182 C SER A 13 1.785 1.349 -13.322 1.00 0.00 C ATOM 183 O SER A 13 2.202 2.484 -13.545 1.00 0.00 O ATOM 184 CB SER A 13 -0.664 1.418 -12.966 1.00 0.00 C ATOM 185 OG SER A 13 -1.911 1.421 -13.630 1.00 0.00 O ATOM 0 H SER A 13 0.788 -1.041 -13.241 1.00 0.00 H new ATOM 0 HA SER A 13 0.357 1.326 -14.893 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.720 0.787 -12.079 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.425 2.426 -12.626 1.00 0.00 H new ATOM 0 HG SER A 13 -2.605 1.748 -13.020 1.00 0.00 H new ATOM 191 N GLY A 14 2.471 0.465 -12.591 1.00 0.00 N ATOM 192 CA GLY A 14 3.780 0.744 -12.017 1.00 0.00 C ATOM 193 C GLY A 14 3.690 1.036 -10.522 1.00 0.00 C ATOM 194 O GLY A 14 2.611 0.975 -9.927 1.00 0.00 O ATOM 0 H GLY A 14 2.125 -0.472 -12.382 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.439 -0.108 -12.182 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.227 1.597 -12.528 1.00 0.00 H new ATOM 198 N LEU A 15 4.831 1.357 -9.910 1.00 0.00 N ATOM 199 CA LEU A 15 4.931 1.593 -8.475 1.00 0.00 C ATOM 200 C LEU A 15 4.007 2.720 -8.016 1.00 0.00 C ATOM 201 O LEU A 15 3.550 2.714 -6.874 1.00 0.00 O ATOM 202 CB LEU A 15 6.388 1.927 -8.153 1.00 0.00 C ATOM 203 CG LEU A 15 6.599 2.334 -6.689 1.00 0.00 C ATOM 204 CD1 LEU A 15 6.212 1.211 -5.728 1.00 0.00 C ATOM 205 CD2 LEU A 15 8.069 2.675 -6.470 1.00 0.00 C ATOM 0 H LEU A 15 5.718 1.461 -10.404 1.00 0.00 H new ATOM 0 HA LEU A 15 4.616 0.697 -7.941 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.012 1.062 -8.378 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.721 2.737 -8.802 1.00 0.00 H new ATOM 0 HG LEU A 15 5.963 3.196 -6.487 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.376 1.538 -4.701 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.160 0.961 -5.866 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.824 0.332 -5.931 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.224 2.965 -5.431 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.683 1.804 -6.699 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.352 3.500 -7.123 1.00 0.00 H new ATOM 217 N THR A 16 3.725 3.690 -8.892 1.00 0.00 N ATOM 218 CA THR A 16 2.892 4.831 -8.535 1.00 0.00 C ATOM 219 C THR A 16 1.479 4.387 -8.166 1.00 0.00 C ATOM 220 O THR A 16 0.853 4.993 -7.298 1.00 0.00 O ATOM 221 CB THR A 16 2.858 5.821 -9.702 1.00 0.00 C ATOM 222 OG1 THR A 16 4.178 6.111 -10.108 1.00 0.00 O ATOM 223 CG2 THR A 16 2.173 7.120 -9.286 1.00 0.00 C ATOM 0 H THR A 16 4.065 3.703 -9.854 1.00 0.00 H new ATOM 0 HA THR A 16 3.322 5.319 -7.660 1.00 0.00 H new ATOM 0 HB THR A 16 2.299 5.371 -10.523 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.159 6.743 -10.856 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.159 7.810 -10.129 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.150 6.908 -8.974 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.720 7.570 -8.458 1.00 0.00 H new ATOM 231 N ALA A 17 0.958 3.338 -8.812 1.00 0.00 N ATOM 232 CA ALA A 17 -0.383 2.861 -8.508 1.00 0.00 C ATOM 233 C ALA A 17 -0.367 1.968 -7.272 1.00 0.00 C ATOM 234 O ALA A 17 -1.348 1.920 -6.531 1.00 0.00 O ATOM 235 CB ALA A 17 -0.937 2.120 -9.718 1.00 0.00 C ATOM 0 H ALA A 17 1.443 2.813 -9.539 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.031 3.710 -8.288 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.942 1.760 -9.496 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.974 2.795 -10.573 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.292 1.273 -9.953 1.00 0.00 H new ATOM 241 N CYS A 18 0.743 1.261 -7.039 1.00 0.00 N ATOM 242 CA CYS A 18 0.899 0.440 -5.850 1.00 0.00 C ATOM 243 C CYS A 18 1.010 1.337 -4.617 1.00 0.00 C ATOM 244 O CYS A 18 0.593 0.952 -3.527 1.00 0.00 O ATOM 245 CB CYS A 18 2.150 -0.424 -6.030 1.00 0.00 C ATOM 246 SG CYS A 18 2.600 -1.437 -4.595 1.00 0.00 S ATOM 0 H CYS A 18 1.547 1.246 -7.666 1.00 0.00 H new ATOM 0 HA CYS A 18 0.035 -0.209 -5.707 1.00 0.00 H new ATOM 0 HB2 CYS A 18 1.998 -1.082 -6.886 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.990 0.227 -6.273 1.00 0.00 H new ATOM 251 N ARG A 19 1.570 2.541 -4.788 1.00 0.00 N ATOM 252 CA ARG A 19 1.737 3.498 -3.706 1.00 0.00 C ATOM 253 C ARG A 19 0.450 4.266 -3.437 1.00 0.00 C ATOM 254 O ARG A 19 0.195 4.666 -2.306 1.00 0.00 O ATOM 255 CB ARG A 19 2.876 4.444 -4.082 1.00 0.00 C ATOM 256 CG ARG A 19 3.410 5.163 -2.842 1.00 0.00 C ATOM 257 CD ARG A 19 4.523 6.121 -3.249 1.00 0.00 C ATOM 258 NE ARG A 19 5.121 6.756 -2.073 1.00 0.00 N ATOM 259 CZ ARG A 19 5.547 8.019 -2.023 1.00 0.00 C ATOM 260 NH1 ARG A 19 5.468 8.808 -3.093 1.00 0.00 N ATOM 261 NH2 ARG A 19 6.063 8.503 -0.896 1.00 0.00 N ATOM 0 H ARG A 19 1.919 2.873 -5.687 1.00 0.00 H new ATOM 0 HA ARG A 19 1.980 2.970 -2.784 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.680 3.883 -4.558 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.524 5.175 -4.809 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.605 5.711 -2.352 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.786 4.437 -2.121 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.289 5.580 -3.804 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.125 6.885 -3.917 1.00 0.00 H new ATOM 0 HE ARG A 19 5.219 6.191 -1.230 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.078 8.448 -3.964 1.00 0.00 H new ATOM 0 HH12 ARG A 19 5.797 9.772 -3.041 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.133 7.908 -0.070 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.389 9.469 -0.858 1.00 0.00 H new ATOM 275 N ASN A 20 -0.368 4.470 -4.471 1.00 0.00 N ATOM 276 CA ASN A 20 -1.651 5.141 -4.310 1.00 0.00 C ATOM 277 C ASN A 20 -2.707 4.185 -3.754 1.00 0.00 C ATOM 278 O ASN A 20 -3.697 4.632 -3.176 1.00 0.00 O ATOM 279 CB ASN A 20 -2.089 5.719 -5.658 1.00 0.00 C ATOM 280 CG ASN A 20 -1.165 6.835 -6.136 1.00 0.00 C ATOM 281 OD1 ASN A 20 -0.336 7.337 -5.380 1.00 0.00 O ATOM 282 ND2 ASN A 20 -1.307 7.230 -7.398 1.00 0.00 N ATOM 0 H ASN A 20 -0.162 4.179 -5.427 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.541 5.953 -3.591 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.110 4.923 -6.403 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.106 6.103 -5.573 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.716 7.974 -7.769 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -2.007 6.789 -7.995 1.00 0.00 H new ATOM 289 N HIS A 21 -2.510 2.873 -3.921 1.00 0.00 N ATOM 290 CA HIS A 21 -3.438 1.875 -3.404 1.00 0.00 C ATOM 291 C HIS A 21 -3.148 1.575 -1.935 1.00 0.00 C ATOM 292 O HIS A 21 -4.068 1.345 -1.155 1.00 0.00 O ATOM 293 CB HIS A 21 -3.319 0.616 -4.264 1.00 0.00 C ATOM 294 CG HIS A 21 -4.296 -0.463 -3.878 1.00 0.00 C ATOM 295 ND1 HIS A 21 -5.653 -0.455 -4.118 1.00 0.00 N ATOM 296 CD2 HIS A 21 -4.002 -1.635 -3.237 1.00 0.00 C ATOM 297 CE1 HIS A 21 -6.157 -1.604 -3.632 1.00 0.00 C ATOM 298 NE2 HIS A 21 -5.189 -2.360 -3.085 1.00 0.00 N ATOM 0 H HIS A 21 -1.708 2.480 -4.415 1.00 0.00 H new ATOM 0 HA HIS A 21 -4.459 2.253 -3.455 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -3.476 0.882 -5.309 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -2.305 0.224 -4.184 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -3.023 -1.947 -2.905 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -7.200 -1.882 -3.675 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -5.298 -3.275 -2.648 1.00 0.00 H new ATOM 306 N CYS A 22 -1.868 1.580 -1.549 1.00 0.00 N ATOM 307 CA CYS A 22 -1.476 1.354 -0.163 1.00 0.00 C ATOM 308 C CYS A 22 -1.781 2.571 0.710 1.00 0.00 C ATOM 309 O CYS A 22 -1.980 2.418 1.914 1.00 0.00 O ATOM 310 CB CYS A 22 0.014 1.032 -0.104 1.00 0.00 C ATOM 311 SG CYS A 22 0.480 -0.589 -0.759 1.00 0.00 S ATOM 0 H CYS A 22 -1.086 1.739 -2.184 1.00 0.00 H new ATOM 0 HA CYS A 22 -2.053 0.514 0.224 1.00 0.00 H new ATOM 0 HB2 CYS A 22 0.557 1.799 -0.657 1.00 0.00 H new ATOM 0 HB3 CYS A 22 0.342 1.094 0.934 1.00 0.00 H new ATOM 316 N ARG A 23 -1.823 3.772 0.120 1.00 0.00 N ATOM 317 CA ARG A 23 -2.129 4.996 0.854 1.00 0.00 C ATOM 318 C ARG A 23 -3.633 5.265 0.892 1.00 0.00 C ATOM 319 O ARG A 23 -4.060 6.334 1.325 1.00 0.00 O ATOM 320 CB ARG A 23 -1.347 6.176 0.275 1.00 0.00 C ATOM 321 CG ARG A 23 0.147 5.998 0.556 1.00 0.00 C ATOM 322 CD ARG A 23 0.932 7.221 0.075 1.00 0.00 C ATOM 323 NE ARG A 23 0.806 7.415 -1.376 1.00 0.00 N ATOM 324 CZ ARG A 23 1.300 8.469 -2.029 1.00 0.00 C ATOM 325 NH1 ARG A 23 1.963 9.421 -1.376 1.00 0.00 N ATOM 326 NH2 ARG A 23 1.134 8.584 -3.340 1.00 0.00 N ATOM 0 H ARG A 23 -1.646 3.918 -0.874 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.811 4.864 1.888 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.518 6.245 -0.799 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.700 7.109 0.715 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.307 5.853 1.624 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.513 5.103 0.054 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.573 8.110 0.593 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.984 7.103 0.336 1.00 0.00 H new ATOM 0 HE ARG A 23 0.313 6.703 -1.915 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.097 9.349 -0.367 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.337 10.223 -1.884 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.626 7.865 -3.855 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.514 9.392 -3.833 1.00 0.00 H new ATOM 340 N SER A 24 -4.428 4.294 0.440 1.00 0.00 N ATOM 341 CA SER A 24 -5.883 4.350 0.482 1.00 0.00 C ATOM 342 C SER A 24 -6.408 3.085 1.142 1.00 0.00 C ATOM 343 O SER A 24 -5.669 2.107 1.282 1.00 0.00 O ATOM 344 CB SER A 24 -6.454 4.505 -0.927 1.00 0.00 C ATOM 345 OG SER A 24 -5.972 5.688 -1.526 1.00 0.00 O ATOM 0 H SER A 24 -4.069 3.433 0.028 1.00 0.00 H new ATOM 0 HA SER A 24 -6.198 5.216 1.064 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.178 3.643 -1.535 1.00 0.00 H new ATOM 0 HB3 SER A 24 -7.543 4.529 -0.884 1.00 0.00 H new ATOM 0 HG SER A 24 -5.209 5.475 -2.103 1.00 0.00 H new ATOM 351 N CYS A 25 -7.680 3.078 1.551 1.00 0.00 N ATOM 352 CA CYS A 25 -8.262 1.906 2.181 1.00 0.00 C ATOM 353 C CYS A 25 -8.414 0.800 1.136 1.00 0.00 C ATOM 354 O CYS A 25 -8.997 1.023 0.077 1.00 0.00 O ATOM 355 CB CYS A 25 -9.598 2.287 2.814 1.00 0.00 C ATOM 356 SG CYS A 25 -10.312 1.004 3.873 1.00 0.00 S ATOM 0 H CYS A 25 -8.317 3.869 1.455 1.00 0.00 H new ATOM 0 HA CYS A 25 -7.615 1.530 2.973 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -9.462 3.194 3.403 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -10.308 2.525 2.022 1.00 0.00 H new ATOM 361 N HIS A 26 -7.885 -0.390 1.431 1.00 0.00 N ATOM 362 CA HIS A 26 -7.909 -1.513 0.508 1.00 0.00 C ATOM 363 C HIS A 26 -8.109 -2.823 1.264 1.00 0.00 C ATOM 364 O HIS A 26 -8.007 -2.862 2.489 1.00 0.00 O ATOM 365 CB HIS A 26 -6.589 -1.540 -0.262 1.00 0.00 C ATOM 366 CG HIS A 26 -5.399 -1.551 0.652 1.00 0.00 C ATOM 367 ND1 HIS A 26 -4.627 -0.455 0.985 1.00 0.00 N ATOM 368 CD2 HIS A 26 -4.895 -2.637 1.315 1.00 0.00 C ATOM 369 CE1 HIS A 26 -3.675 -0.862 1.844 1.00 0.00 C ATOM 370 NE2 HIS A 26 -3.827 -2.184 2.062 1.00 0.00 N ATOM 0 H HIS A 26 -7.429 -0.596 2.320 1.00 0.00 H new ATOM 0 HA HIS A 26 -8.740 -1.398 -0.187 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -6.562 -2.422 -0.902 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -6.534 -0.670 -0.916 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -4.756 0.496 0.640 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -5.262 -3.651 1.264 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -2.915 -0.234 2.286 1.00 0.00 H new ATOM 379 N ARG A 27 -8.393 -3.900 0.530 1.00 0.00 N ATOM 380 CA ARG A 27 -8.624 -5.211 1.119 1.00 0.00 C ATOM 381 C ARG A 27 -7.303 -5.885 1.494 1.00 0.00 C ATOM 382 O ARG A 27 -6.360 -5.897 0.701 1.00 0.00 O ATOM 383 CB ARG A 27 -9.426 -6.065 0.133 1.00 0.00 C ATOM 384 CG ARG A 27 -9.813 -7.423 0.723 1.00 0.00 C ATOM 385 CD ARG A 27 -10.709 -7.265 1.954 1.00 0.00 C ATOM 386 NE ARG A 27 -11.055 -8.572 2.523 1.00 0.00 N ATOM 387 CZ ARG A 27 -11.959 -8.752 3.488 1.00 0.00 C ATOM 388 NH1 ARG A 27 -12.625 -7.720 3.999 1.00 0.00 N ATOM 389 NH2 ARG A 27 -12.203 -9.975 3.949 1.00 0.00 N ATOM 0 H ARG A 27 -8.468 -3.884 -0.487 1.00 0.00 H new ATOM 0 HA ARG A 27 -9.196 -5.099 2.040 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -10.328 -5.528 -0.159 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.839 -6.219 -0.772 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -10.331 -8.015 -0.032 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -8.912 -7.973 0.996 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -10.199 -6.661 2.704 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -11.619 -6.731 1.680 1.00 0.00 H new ATOM 0 HE ARG A 27 -10.575 -9.395 2.158 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -12.447 -6.777 3.654 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -13.313 -7.872 4.736 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -11.699 -10.775 3.565 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -12.894 -10.114 4.687 1.00 0.00 H new ATOM 403 N GLY A 28 -7.250 -6.444 2.704 1.00 0.00 N ATOM 404 CA GLY A 28 -6.103 -7.181 3.212 1.00 0.00 C ATOM 405 C GLY A 28 -6.380 -8.685 3.224 1.00 0.00 C ATOM 406 O GLY A 28 -7.312 -9.156 2.576 1.00 0.00 O ATOM 0 H GLY A 28 -8.022 -6.393 3.369 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.230 -6.973 2.594 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.867 -6.843 4.221 1.00 0.00 H new ATOM 410 N ASP A 29 -5.570 -9.443 3.966 1.00 0.00 N ATOM 411 CA ASP A 29 -5.700 -10.892 4.037 1.00 0.00 C ATOM 412 C ASP A 29 -6.693 -11.339 5.113 1.00 0.00 C ATOM 413 O ASP A 29 -7.064 -12.512 5.152 1.00 0.00 O ATOM 414 CB ASP A 29 -4.328 -11.501 4.315 1.00 0.00 C ATOM 415 CG ASP A 29 -3.352 -11.214 3.180 1.00 0.00 C ATOM 416 OD1 ASP A 29 -3.492 -11.868 2.119 1.00 0.00 O ATOM 417 OD2 ASP A 29 -2.475 -10.346 3.378 1.00 0.00 O ATOM 0 H ASP A 29 -4.809 -9.067 4.531 1.00 0.00 H new ATOM 0 HA ASP A 29 -6.088 -11.240 3.080 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.932 -11.099 5.248 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.427 -12.578 4.448 1.00 0.00 H new ATOM 422 N VAL A 30 -7.125 -10.423 5.984 1.00 0.00 N ATOM 423 CA VAL A 30 -8.066 -10.737 7.054 1.00 0.00 C ATOM 424 C VAL A 30 -9.106 -9.625 7.246 1.00 0.00 C ATOM 425 O VAL A 30 -10.098 -9.820 7.948 1.00 0.00 O ATOM 426 CB VAL A 30 -7.264 -10.997 8.335 1.00 0.00 C ATOM 427 CG1 VAL A 30 -6.565 -9.727 8.829 1.00 0.00 C ATOM 428 CG2 VAL A 30 -8.153 -11.543 9.452 1.00 0.00 C ATOM 0 H VAL A 30 -6.831 -9.446 5.965 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.634 -11.629 6.791 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.511 -11.743 8.082 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.007 -9.949 9.738 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.880 -9.367 8.061 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.310 -8.960 9.039 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.551 -11.716 10.344 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -8.938 -10.821 9.678 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.604 -12.482 9.132 1.00 0.00 H new ATOM 438 N GLY A 31 -8.891 -8.460 6.629 1.00 0.00 N ATOM 439 CA GLY A 31 -9.792 -7.322 6.751 1.00 0.00 C ATOM 440 C GLY A 31 -9.250 -6.142 5.954 1.00 0.00 C ATOM 441 O GLY A 31 -8.170 -6.236 5.373 1.00 0.00 O ATOM 0 H GLY A 31 -8.084 -8.284 6.031 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.784 -7.592 6.388 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.901 -7.044 7.799 1.00 0.00 H new ATOM 445 N CYS A 32 -9.984 -5.029 5.919 1.00 0.00 N ATOM 446 CA CYS A 32 -9.545 -3.863 5.174 1.00 0.00 C ATOM 447 C CYS A 32 -8.640 -2.972 6.016 1.00 0.00 C ATOM 448 O CYS A 32 -8.881 -2.768 7.207 1.00 0.00 O ATOM 449 CB CYS A 32 -10.748 -3.099 4.627 1.00 0.00 C ATOM 450 SG CYS A 32 -11.643 -4.030 3.360 1.00 0.00 S ATOM 0 H CYS A 32 -10.878 -4.917 6.396 1.00 0.00 H new ATOM 0 HA CYS A 32 -8.950 -4.201 4.326 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -11.427 -2.862 5.446 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -10.412 -2.151 4.207 1.00 0.00 H new ATOM 455 N VAL A 33 -7.591 -2.442 5.380 1.00 0.00 N ATOM 456 CA VAL A 33 -6.582 -1.625 6.041 1.00 0.00 C ATOM 457 C VAL A 33 -6.041 -0.563 5.087 1.00 0.00 C ATOM 458 O VAL A 33 -6.264 -0.626 3.878 1.00 0.00 O ATOM 459 CB VAL A 33 -5.427 -2.500 6.547 1.00 0.00 C ATOM 460 CG1 VAL A 33 -5.900 -3.509 7.590 1.00 0.00 C ATOM 461 CG2 VAL A 33 -4.763 -3.258 5.397 1.00 0.00 C ATOM 0 H VAL A 33 -7.421 -2.572 4.383 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.052 -1.131 6.891 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.704 -1.825 7.005 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.054 -4.110 7.924 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.328 -2.979 8.441 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.656 -4.159 7.150 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.949 -3.869 5.786 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.498 -3.900 4.912 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.368 -2.546 4.672 1.00 0.00 H new ATOM 471 N ARG A 34 -5.325 0.411 5.646 1.00 0.00 N ATOM 472 CA ARG A 34 -4.640 1.459 4.896 1.00 0.00 C ATOM 473 C ARG A 34 -3.241 1.614 5.482 1.00 0.00 C ATOM 474 O ARG A 34 -3.064 1.402 6.678 1.00 0.00 O ATOM 475 CB ARG A 34 -5.439 2.764 4.961 1.00 0.00 C ATOM 476 CG ARG A 34 -5.659 3.217 6.409 1.00 0.00 C ATOM 477 CD ARG A 34 -6.487 4.501 6.427 1.00 0.00 C ATOM 478 NE ARG A 34 -6.826 4.883 7.803 1.00 0.00 N ATOM 479 CZ ARG A 34 -7.505 5.984 8.131 1.00 0.00 C ATOM 480 NH1 ARG A 34 -7.919 6.836 7.197 1.00 0.00 N ATOM 481 NH2 ARG A 34 -7.770 6.241 9.410 1.00 0.00 N ATOM 0 H ARG A 34 -5.203 0.494 6.655 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.558 1.195 3.842 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.911 3.543 4.411 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.403 2.626 4.471 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.170 2.435 6.971 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.699 3.385 6.897 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.929 5.306 5.948 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -7.400 4.359 5.849 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.523 4.267 8.557 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.719 6.652 6.214 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -8.437 7.673 7.464 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -7.454 5.597 10.136 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -8.289 7.082 9.664 1.00 0.00 H new ATOM 495 N CYS A 35 -2.255 1.977 4.660 1.00 0.00 N ATOM 496 CA CYS A 35 -0.861 2.013 5.080 1.00 0.00 C ATOM 497 C CYS A 35 -0.217 3.369 4.791 1.00 0.00 C ATOM 498 O CYS A 35 -0.890 4.307 4.369 1.00 0.00 O ATOM 499 CB CYS A 35 -0.106 0.896 4.366 1.00 0.00 C ATOM 500 SG CYS A 35 -0.764 -0.782 4.567 1.00 0.00 S ATOM 0 H CYS A 35 -2.403 2.252 3.689 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.814 1.865 6.159 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.081 1.127 3.301 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.926 0.902 4.718 1.00 0.00 H new ATOM 505 N SER A 36 1.097 3.468 5.025 1.00 0.00 N ATOM 506 CA SER A 36 1.830 4.727 4.913 1.00 0.00 C ATOM 507 C SER A 36 2.602 4.850 3.601 1.00 0.00 C ATOM 508 O SER A 36 2.740 5.955 3.075 1.00 0.00 O ATOM 509 CB SER A 36 2.787 4.826 6.099 1.00 0.00 C ATOM 510 OG SER A 36 3.322 6.132 6.187 1.00 0.00 O ATOM 0 H SER A 36 1.679 2.676 5.297 1.00 0.00 H new ATOM 0 HA SER A 36 1.110 5.545 4.920 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.262 4.577 7.021 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.594 4.102 5.986 1.00 0.00 H new ATOM 0 HG SER A 36 3.933 6.184 6.952 1.00 0.00 H new ATOM 516 N ASN A 37 3.110 3.735 3.066 1.00 0.00 N ATOM 517 CA ASN A 37 3.905 3.743 1.844 1.00 0.00 C ATOM 518 C ASN A 37 3.821 2.374 1.161 1.00 0.00 C ATOM 519 O ASN A 37 3.075 1.510 1.621 1.00 0.00 O ATOM 520 CB ASN A 37 5.350 4.119 2.210 1.00 0.00 C ATOM 521 CG ASN A 37 6.178 4.535 1.002 1.00 0.00 C ATOM 522 OD1 ASN A 37 5.644 4.767 -0.082 1.00 0.00 O ATOM 523 ND2 ASN A 37 7.488 4.637 1.177 1.00 0.00 N ATOM 0 H ASN A 37 2.980 2.807 3.470 1.00 0.00 H new ATOM 0 HA ASN A 37 3.523 4.478 1.136 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.336 4.935 2.933 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.829 3.270 2.697 1.00 0.00 H new ATOM 0 HD21 ASN A 37 8.086 4.915 0.399 1.00 0.00 H new ATOM 0 HD22 ASN A 37 7.898 4.437 2.089 1.00 0.00 H new ATOM 530 N ALA A 38 4.571 2.169 0.075 1.00 0.00 N ATOM 531 CA ALA A 38 4.543 0.920 -0.671 1.00 0.00 C ATOM 532 C ALA A 38 5.843 0.674 -1.427 1.00 0.00 C ATOM 533 O ALA A 38 6.677 1.570 -1.562 1.00 0.00 O ATOM 534 CB ALA A 38 3.402 0.979 -1.679 1.00 0.00 C ATOM 0 H ALA A 38 5.211 2.865 -0.306 1.00 0.00 H new ATOM 0 HA ALA A 38 4.407 0.107 0.042 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.369 0.049 -2.246 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.458 1.117 -1.152 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.562 1.814 -2.361 1.00 0.00 H new ATOM 540 N GLN A 39 6.002 -0.554 -1.923 1.00 0.00 N ATOM 541 CA GLN A 39 7.100 -0.943 -2.796 1.00 0.00 C ATOM 542 C GLN A 39 6.673 -2.134 -3.653 1.00 0.00 C ATOM 543 O GLN A 39 5.668 -2.783 -3.360 1.00 0.00 O ATOM 544 CB GLN A 39 8.346 -1.290 -1.977 1.00 0.00 C ATOM 545 CG GLN A 39 8.114 -2.495 -1.061 1.00 0.00 C ATOM 546 CD GLN A 39 9.411 -2.918 -0.380 1.00 0.00 C ATOM 547 OE1 GLN A 39 9.931 -4.002 -0.632 1.00 0.00 O ATOM 548 NE2 GLN A 39 9.957 -2.074 0.490 1.00 0.00 N ATOM 0 H GLN A 39 5.356 -1.318 -1.723 1.00 0.00 H new ATOM 0 HA GLN A 39 7.349 -0.105 -3.447 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.176 -1.502 -2.652 1.00 0.00 H new ATOM 0 HB3 GLN A 39 8.636 -0.428 -1.376 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.367 -2.245 -0.307 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.715 -3.327 -1.642 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.507 -1.179 0.683 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.826 -2.321 0.964 1.00 0.00 H new ATOM 557 N CYS A 40 7.435 -2.419 -4.711 1.00 0.00 N ATOM 558 CA CYS A 40 7.179 -3.575 -5.553 1.00 0.00 C ATOM 559 C CYS A 40 8.060 -4.741 -5.101 1.00 0.00 C ATOM 560 O CYS A 40 9.212 -4.542 -4.710 1.00 0.00 O ATOM 561 CB CYS A 40 7.400 -3.203 -7.022 1.00 0.00 C ATOM 562 SG CYS A 40 6.251 -1.939 -7.632 1.00 0.00 S ATOM 0 H CYS A 40 8.236 -1.858 -5.001 1.00 0.00 H new ATOM 0 HA CYS A 40 6.142 -3.895 -5.456 1.00 0.00 H new ATOM 0 HB2 CYS A 40 8.422 -2.844 -7.147 1.00 0.00 H new ATOM 0 HB3 CYS A 40 7.299 -4.099 -7.634 1.00 0.00 H new ATOM 567 N THR A 41 7.511 -5.955 -5.152 1.00 0.00 N ATOM 568 CA THR A 41 8.170 -7.163 -4.668 1.00 0.00 C ATOM 569 C THR A 41 7.971 -8.322 -5.642 1.00 0.00 C ATOM 570 O THR A 41 7.356 -8.159 -6.695 1.00 0.00 O ATOM 571 CB THR A 41 7.604 -7.536 -3.293 1.00 0.00 C ATOM 572 OG1 THR A 41 6.221 -7.778 -3.406 1.00 0.00 O ATOM 573 CG2 THR A 41 7.843 -6.417 -2.277 1.00 0.00 C ATOM 0 H THR A 41 6.582 -6.127 -5.537 1.00 0.00 H new ATOM 0 HA THR A 41 9.239 -6.967 -4.586 1.00 0.00 H new ATOM 0 HB THR A 41 8.114 -8.433 -2.943 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.757 -7.390 -2.635 1.00 0.00 H new ATOM 0 HG21 THR A 41 7.431 -6.709 -1.311 1.00 0.00 H new ATOM 0 HG22 THR A 41 8.914 -6.239 -2.176 1.00 0.00 H new ATOM 0 HG23 THR A 41 7.354 -5.505 -2.619 1.00 0.00 H new ATOM 581 N GLY A 42 8.493 -9.503 -5.289 1.00 0.00 N ATOM 582 CA GLY A 42 8.370 -10.701 -6.101 1.00 0.00 C ATOM 583 C GLY A 42 9.326 -10.676 -7.292 1.00 0.00 C ATOM 584 O GLY A 42 10.135 -9.755 -7.434 1.00 0.00 O ATOM 0 H GLY A 42 9.015 -9.646 -4.424 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.575 -11.579 -5.488 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.345 -10.794 -6.459 1.00 0.00 H new ATOM 588 N PHE A 43 9.238 -11.691 -8.154 1.00 0.00 N ATOM 589 CA PHE A 43 10.094 -11.798 -9.323 1.00 0.00 C ATOM 590 C PHE A 43 9.838 -10.616 -10.256 1.00 0.00 C ATOM 591 O PHE A 43 8.687 -10.275 -10.520 1.00 0.00 O ATOM 592 CB PHE A 43 9.832 -13.135 -10.015 1.00 0.00 C ATOM 593 CG PHE A 43 10.693 -13.383 -11.236 1.00 0.00 C ATOM 594 CD1 PHE A 43 12.088 -13.446 -11.106 1.00 0.00 C ATOM 595 CD2 PHE A 43 10.097 -13.560 -12.492 1.00 0.00 C ATOM 596 CE1 PHE A 43 12.889 -13.686 -12.232 1.00 0.00 C ATOM 597 CE2 PHE A 43 10.898 -13.805 -13.616 1.00 0.00 C ATOM 598 CZ PHE A 43 12.293 -13.867 -13.488 1.00 0.00 C ATOM 0 H PHE A 43 8.571 -12.457 -8.056 1.00 0.00 H new ATOM 0 HA PHE A 43 11.143 -11.767 -9.030 1.00 0.00 H new ATOM 0 HB2 PHE A 43 9.997 -13.940 -9.299 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.783 -13.180 -10.309 1.00 0.00 H new ATOM 0 HD1 PHE A 43 12.546 -13.310 -10.138 1.00 0.00 H new ATOM 0 HD2 PHE A 43 9.023 -13.508 -12.594 1.00 0.00 H new ATOM 0 HE1 PHE A 43 13.963 -13.731 -12.132 1.00 0.00 H new ATOM 0 HE2 PHE A 43 10.439 -13.946 -14.583 1.00 0.00 H new ATOM 0 HZ PHE A 43 12.908 -14.054 -14.356 1.00 0.00 H new ATOM 608 N LEU A 44 10.914 -9.998 -10.750 1.00 0.00 N ATOM 609 CA LEU A 44 10.858 -8.826 -11.619 1.00 0.00 C ATOM 610 C LEU A 44 9.982 -7.700 -11.061 1.00 0.00 C ATOM 611 O LEU A 44 9.560 -6.822 -11.812 1.00 0.00 O ATOM 612 CB LEU A 44 10.455 -9.236 -13.040 1.00 0.00 C ATOM 613 CG LEU A 44 11.417 -10.255 -13.657 1.00 0.00 C ATOM 614 CD1 LEU A 44 10.910 -10.638 -15.046 1.00 0.00 C ATOM 615 CD2 LEU A 44 12.829 -9.683 -13.791 1.00 0.00 C ATOM 0 H LEU A 44 11.866 -10.307 -10.552 1.00 0.00 H new ATOM 0 HA LEU A 44 11.862 -8.404 -11.660 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.450 -9.657 -13.021 1.00 0.00 H new ATOM 0 HB3 LEU A 44 10.417 -8.349 -13.673 1.00 0.00 H new ATOM 0 HG LEU A 44 11.458 -11.125 -13.002 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.589 -11.364 -15.494 1.00 0.00 H new ATOM 0 HD12 LEU A 44 9.915 -11.075 -14.962 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.864 -9.749 -15.674 1.00 0.00 H new ATOM 0 HD21 LEU A 44 13.485 -10.433 -14.232 1.00 0.00 H new ATOM 0 HD22 LEU A 44 12.805 -8.801 -14.430 1.00 0.00 H new ATOM 0 HD23 LEU A 44 13.205 -9.407 -12.806 1.00 0.00 H new ATOM 627 N GLY A 45 9.698 -7.714 -9.752 1.00 0.00 N ATOM 628 CA GLY A 45 8.895 -6.677 -9.117 1.00 0.00 C ATOM 629 C GLY A 45 7.426 -6.743 -9.534 1.00 0.00 C ATOM 630 O GLY A 45 6.718 -5.745 -9.435 1.00 0.00 O ATOM 0 H GLY A 45 10.019 -8.441 -9.113 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.968 -6.777 -8.034 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.300 -5.698 -9.375 1.00 0.00 H new ATOM 634 N THR A 46 6.958 -7.906 -10.001 1.00 0.00 N ATOM 635 CA THR A 46 5.606 -8.062 -10.537 1.00 0.00 C ATOM 636 C THR A 46 4.517 -8.101 -9.463 1.00 0.00 C ATOM 637 O THR A 46 3.360 -8.368 -9.786 1.00 0.00 O ATOM 638 CB THR A 46 5.525 -9.295 -11.444 1.00 0.00 C ATOM 639 OG1 THR A 46 5.926 -10.446 -10.738 1.00 0.00 O ATOM 640 CG2 THR A 46 6.412 -9.128 -12.672 1.00 0.00 C ATOM 0 H THR A 46 7.508 -8.765 -10.017 1.00 0.00 H new ATOM 0 HA THR A 46 5.408 -7.167 -11.127 1.00 0.00 H new ATOM 0 HB THR A 46 4.490 -9.404 -11.767 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.905 -10.491 -10.714 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.336 -10.016 -13.299 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.088 -8.255 -13.239 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.447 -8.993 -12.358 1.00 0.00 H new ATOM 648 N THR A 47 4.861 -7.840 -8.199 1.00 0.00 N ATOM 649 CA THR A 47 3.904 -7.853 -7.097 1.00 0.00 C ATOM 650 C THR A 47 3.944 -6.523 -6.341 1.00 0.00 C ATOM 651 O THR A 47 4.965 -5.844 -6.333 1.00 0.00 O ATOM 652 CB THR A 47 4.201 -9.041 -6.174 1.00 0.00 C ATOM 653 OG1 THR A 47 4.198 -10.240 -6.924 1.00 0.00 O ATOM 654 CG2 THR A 47 3.157 -9.177 -5.066 1.00 0.00 C ATOM 0 H THR A 47 5.814 -7.614 -7.914 1.00 0.00 H new ATOM 0 HA THR A 47 2.894 -7.972 -7.490 1.00 0.00 H new ATOM 0 HB THR A 47 5.176 -8.861 -5.722 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.390 -10.997 -6.332 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.405 -10.031 -4.435 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.147 -8.270 -4.462 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.173 -9.328 -5.510 1.00 0.00 H new ATOM 662 N CYS A 48 2.828 -6.154 -5.707 1.00 0.00 N ATOM 663 CA CYS A 48 2.713 -4.930 -4.928 1.00 0.00 C ATOM 664 C CYS A 48 2.639 -5.260 -3.436 1.00 0.00 C ATOM 665 O CYS A 48 1.968 -6.215 -3.048 1.00 0.00 O ATOM 666 CB CYS A 48 1.480 -4.154 -5.393 1.00 0.00 C ATOM 667 SG CYS A 48 1.036 -2.724 -4.375 1.00 0.00 S ATOM 0 H CYS A 48 1.971 -6.707 -5.724 1.00 0.00 H new ATOM 0 HA CYS A 48 3.594 -4.306 -5.082 1.00 0.00 H new ATOM 0 HB2 CYS A 48 1.649 -3.813 -6.414 1.00 0.00 H new ATOM 0 HB3 CYS A 48 0.631 -4.837 -5.421 1.00 0.00 H new ATOM 672 N THR A 49 3.330 -4.472 -2.607 1.00 0.00 N ATOM 673 CA THR A 49 3.334 -4.651 -1.159 1.00 0.00 C ATOM 674 C THR A 49 3.309 -3.292 -0.465 1.00 0.00 C ATOM 675 O THR A 49 3.866 -2.322 -0.971 1.00 0.00 O ATOM 676 CB THR A 49 4.568 -5.456 -0.744 1.00 0.00 C ATOM 677 OG1 THR A 49 4.516 -6.738 -1.333 1.00 0.00 O ATOM 678 CG2 THR A 49 4.639 -5.642 0.770 1.00 0.00 C ATOM 0 H THR A 49 3.903 -3.691 -2.926 1.00 0.00 H new ATOM 0 HA THR A 49 2.443 -5.202 -0.857 1.00 0.00 H new ATOM 0 HB THR A 49 5.445 -4.901 -1.078 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.674 -6.839 -1.823 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.529 -6.218 1.024 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.687 -4.667 1.255 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.752 -6.174 1.113 1.00 0.00 H new ATOM 686 N CYS A 50 2.662 -3.223 0.701 1.00 0.00 N ATOM 687 CA CYS A 50 2.541 -1.986 1.456 1.00 0.00 C ATOM 688 C CYS A 50 3.544 -1.944 2.609 1.00 0.00 C ATOM 689 O CYS A 50 4.098 -2.971 3.006 1.00 0.00 O ATOM 690 CB CYS A 50 1.106 -1.817 1.951 1.00 0.00 C ATOM 691 SG CYS A 50 -0.164 -1.902 0.657 1.00 0.00 S ATOM 0 H CYS A 50 2.210 -4.024 1.142 1.00 0.00 H new ATOM 0 HA CYS A 50 2.776 -1.149 0.799 1.00 0.00 H new ATOM 0 HB2 CYS A 50 0.900 -2.588 2.693 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.023 -0.856 2.459 1.00 0.00 H new ATOM 696 N ILE A 51 3.777 -0.743 3.147 1.00 0.00 N ATOM 697 CA ILE A 51 4.741 -0.506 4.211 1.00 0.00 C ATOM 698 C ILE A 51 4.015 -0.128 5.500 1.00 0.00 C ATOM 699 O ILE A 51 3.029 0.604 5.464 1.00 0.00 O ATOM 700 CB ILE A 51 5.703 0.604 3.780 1.00 0.00 C ATOM 701 CG1 ILE A 51 6.443 0.259 2.479 1.00 0.00 C ATOM 702 CG2 ILE A 51 6.716 0.913 4.882 1.00 0.00 C ATOM 703 CD1 ILE A 51 7.327 -0.982 2.594 1.00 0.00 C ATOM 0 H ILE A 51 3.290 0.101 2.846 1.00 0.00 H new ATOM 0 HA ILE A 51 5.313 -1.415 4.400 1.00 0.00 H new ATOM 0 HB ILE A 51 5.093 1.488 3.596 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.713 0.103 1.685 1.00 0.00 H new ATOM 0 HG13 ILE A 51 7.059 1.109 2.184 1.00 0.00 H new ATOM 0 HG21 ILE A 51 7.386 1.705 4.548 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.190 1.237 5.780 1.00 0.00 H new ATOM 0 HG23 ILE A 51 7.295 0.017 5.105 1.00 0.00 H new ATOM 0 HD11 ILE A 51 7.819 -1.168 1.639 1.00 0.00 H new ATOM 0 HD12 ILE A 51 8.080 -0.822 3.366 1.00 0.00 H new ATOM 0 HD13 ILE A 51 6.713 -1.843 2.859 1.00 0.00 H new ATOM 715 N ASN A 52 4.504 -0.623 6.637 1.00 0.00 N ATOM 716 CA ASN A 52 3.904 -0.371 7.937 1.00 0.00 C ATOM 717 C ASN A 52 4.076 1.096 8.349 1.00 0.00 C ATOM 718 O ASN A 52 5.001 1.763 7.885 1.00 0.00 O ATOM 719 CB ASN A 52 4.547 -1.308 8.966 1.00 0.00 C ATOM 720 CG ASN A 52 4.357 -2.768 8.582 1.00 0.00 C ATOM 721 OD1 ASN A 52 5.265 -3.394 8.041 1.00 0.00 O ATOM 722 ND2 ASN A 52 3.183 -3.323 8.861 1.00 0.00 N ATOM 0 H ASN A 52 5.334 -1.214 6.677 1.00 0.00 H new ATOM 0 HA ASN A 52 2.833 -0.566 7.885 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.611 -1.087 9.047 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.109 -1.128 9.948 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.012 -4.301 8.625 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.452 -2.772 9.311 1.00 0.00 H new ATOM 729 N PRO A 53 3.198 1.618 9.219 1.00 0.00 N ATOM 730 CA PRO A 53 2.057 0.932 9.811 1.00 0.00 C ATOM 731 C PRO A 53 0.931 0.745 8.794 1.00 0.00 C ATOM 732 O PRO A 53 0.921 1.381 7.744 1.00 0.00 O ATOM 733 CB PRO A 53 1.614 1.834 10.963 1.00 0.00 C ATOM 734 CG PRO A 53 1.966 3.228 10.453 1.00 0.00 C ATOM 735 CD PRO A 53 3.274 2.982 9.708 1.00 0.00 C ATOM 0 HA PRO A 53 2.317 -0.071 10.151 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.548 1.735 11.168 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.139 1.597 11.888 1.00 0.00 H new ATOM 0 HG2 PRO A 53 1.193 3.628 9.796 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.091 3.940 11.269 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.394 3.687 8.885 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.131 3.114 10.368 1.00 0.00 H new ATOM 743 N CYS A 54 -0.017 -0.139 9.121 1.00 0.00 N ATOM 744 CA CYS A 54 -1.169 -0.430 8.280 1.00 0.00 C ATOM 745 C CYS A 54 -2.429 -0.573 9.140 1.00 0.00 C ATOM 746 O CYS A 54 -2.969 -1.673 9.255 1.00 0.00 O ATOM 747 CB CYS A 54 -0.911 -1.711 7.488 1.00 0.00 C ATOM 748 SG CYS A 54 0.279 -1.593 6.129 1.00 0.00 S ATOM 0 H CYS A 54 -0.000 -0.676 9.988 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.324 0.393 7.582 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -0.563 -2.477 8.181 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.861 -2.058 7.081 1.00 0.00 H new ATOM 753 N PRO A 55 -2.909 0.521 9.749 1.00 0.00 N ATOM 754 CA PRO A 55 -4.104 0.524 10.576 1.00 0.00 C ATOM 755 C PRO A 55 -5.358 0.195 9.766 1.00 0.00 C ATOM 756 O PRO A 55 -5.353 0.250 8.535 1.00 0.00 O ATOM 757 CB PRO A 55 -4.177 1.935 11.172 1.00 0.00 C ATOM 758 CG PRO A 55 -3.456 2.785 10.125 1.00 0.00 C ATOM 759 CD PRO A 55 -2.334 1.852 9.677 1.00 0.00 C ATOM 0 HA PRO A 55 -4.054 -0.242 11.350 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.207 2.260 11.316 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.687 1.989 12.144 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.113 3.059 9.299 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.071 3.713 10.548 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.005 2.087 8.665 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -1.462 1.942 10.325 1.00 0.00 H new ATOM 767 N ARG A 56 -6.442 -0.150 10.469 1.00 0.00 N ATOM 768 CA ARG A 56 -7.705 -0.525 9.844 1.00 0.00 C ATOM 769 C ARG A 56 -8.447 0.697 9.309 1.00 0.00 C ATOM 770 O ARG A 56 -8.177 1.829 9.715 1.00 0.00 O ATOM 771 CB ARG A 56 -8.569 -1.297 10.844 1.00 0.00 C ATOM 772 CG ARG A 56 -7.880 -2.604 11.257 1.00 0.00 C ATOM 773 CD ARG A 56 -8.782 -3.410 12.191 1.00 0.00 C ATOM 774 NE ARG A 56 -9.040 -2.701 13.448 1.00 0.00 N ATOM 775 CZ ARG A 56 -9.872 -3.133 14.398 1.00 0.00 C ATOM 776 NH1 ARG A 56 -10.532 -4.282 14.259 1.00 0.00 N ATOM 777 NH2 ARG A 56 -10.048 -2.416 15.502 1.00 0.00 N ATOM 0 H ARG A 56 -6.463 -0.176 11.488 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.490 -1.170 8.992 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.752 -0.682 11.725 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.540 -1.516 10.400 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.644 -3.194 10.371 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.936 -2.383 11.754 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.728 -3.619 11.691 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.316 -4.372 12.406 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.552 -1.820 13.607 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.405 -4.845 13.418 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.164 -4.599 14.994 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.547 -1.536 15.624 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.684 -2.746 16.228 1.00 0.00 H new ATOM 791 N CYS A 57 -9.385 0.455 8.391 1.00 0.00 N ATOM 792 CA CYS A 57 -10.174 1.499 7.752 1.00 0.00 C ATOM 793 C CYS A 57 -11.530 0.953 7.302 1.00 0.00 C ATOM 794 O CYS A 57 -11.682 -0.289 7.272 1.00 0.00 O ATOM 795 CB CYS A 57 -9.377 2.052 6.572 1.00 0.00 C ATOM 796 SG CYS A 57 -8.921 0.806 5.343 1.00 0.00 S ATOM 797 OXT CYS A 57 -12.403 1.792 6.992 1.00 0.00 O ATOM 0 H CYS A 57 -9.617 -0.485 8.070 1.00 0.00 H new ATOM 0 HA CYS A 57 -10.374 2.303 8.461 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -9.963 2.831 6.084 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -8.470 2.524 6.949 1.00 0.00 H new