USER MOD reduce.3.24.130724 H: found=0, std=0, add=421, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 421 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 47 LYS NZ :NH3+ -161:sc= -0.0859 (180deg=-0.556) USER MOD Set 1.2: A 48 SER OG : rot 180:sc= -0.0103 USER MOD Set 2.1: A 23 THR OG1 : rot 147:sc= -0.684 USER MOD Set 2.2: A 26 LYS NZ :NH3+ 170:sc= 0.0286 (180deg=-0.181) USER MOD Set 3.1: A 11 GLN : amide:sc= -0.697 X(o=-0.7,f=-0.25) USER MOD Set 3.2: A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0.0749 X(o=0.075,f=-0.14) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0.184 USER MOD Single : A 16 SER OG : rot -46:sc= 0.97 USER MOD Single : A 19 LYS NZ :NH3+ 150:sc= -4.53! (180deg=-6.42!) USER MOD Single : A 20 THR OG1 : rot -170:sc= -0.76 USER MOD Single : A 25 ASN : amide:sc= -1.84! K(o=-1.8!,f=0.28) USER MOD Single : A 32 LYS NZ :NH3+ -136:sc= -2.63! (180deg=-5.5!) USER MOD Single : A 33 LYS NZ :NH3+ -166:sc= -0.0412 (180deg=-0.291) USER MOD Single : A 35 ASN : amide:sc= -0.901 K(o=-0.9,f=-4.2!) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.038 USER MOD Single : A 49 LYS NZ :NH3+ -112:sc= -0.83 (180deg=-3.26!) USER MOD Single : A 51 SER OG : rot -153:sc= 1.51 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HE2:sc= -1.15 K(o=-1.2,f=-2.4) USER MOD Single : A 58 SER OG : rot 180:sc= 0.00192 USER MOD Single : A 59 LYS NZ :NH3+ 152:sc= -0.452 (180deg=-2.06!) USER MOD ----------------------------------------------------------------- ATOM 37 N VAL A 3 36.830 19.348 -7.696 1.00 0.00 N ATOM 38 CA VAL A 3 36.660 19.340 -6.207 1.00 0.00 C ATOM 39 C VAL A 3 37.807 18.618 -5.486 1.00 0.00 C ATOM 40 O VAL A 3 38.414 17.705 -6.010 1.00 0.00 O ATOM 41 CB VAL A 3 35.283 18.668 -5.894 1.00 0.00 C ATOM 42 CG1 VAL A 3 35.253 17.202 -6.396 1.00 0.00 C ATOM 43 CG2 VAL A 3 34.978 18.701 -4.378 1.00 0.00 C ATOM 0 HA VAL A 3 36.683 20.365 -5.836 1.00 0.00 H new ATOM 0 HB VAL A 3 34.517 19.239 -6.420 1.00 0.00 H new ATOM 0 HG11 VAL A 3 34.284 16.758 -6.166 1.00 0.00 H new ATOM 0 HG12 VAL A 3 35.414 17.183 -7.474 1.00 0.00 H new ATOM 0 HG13 VAL A 3 36.040 16.632 -5.902 1.00 0.00 H new ATOM 0 HG21 VAL A 3 34.015 18.227 -4.190 1.00 0.00 H new ATOM 0 HG22 VAL A 3 35.758 18.164 -3.838 1.00 0.00 H new ATOM 0 HG23 VAL A 3 34.946 19.735 -4.036 1.00 0.00 H new ATOM 53 N CYS A 4 38.042 19.083 -4.286 1.00 0.00 N ATOM 54 CA CYS A 4 39.114 18.534 -3.401 1.00 0.00 C ATOM 55 C CYS A 4 38.570 17.832 -2.142 1.00 0.00 C ATOM 56 O CYS A 4 37.388 17.881 -1.862 1.00 0.00 O ATOM 57 CB CYS A 4 40.009 19.660 -2.949 1.00 0.00 C ATOM 58 SG CYS A 4 41.051 20.545 -4.126 1.00 0.00 S ATOM 0 H CYS A 4 37.514 19.850 -3.868 1.00 0.00 H new ATOM 0 HA CYS A 4 39.651 17.792 -3.992 1.00 0.00 H new ATOM 0 HB2 CYS A 4 39.372 20.401 -2.466 1.00 0.00 H new ATOM 0 HB3 CYS A 4 40.667 19.256 -2.180 1.00 0.00 H new ATOM 63 N PRO A 5 39.466 17.193 -1.418 1.00 0.00 N ATOM 64 CA PRO A 5 39.318 16.916 0.017 1.00 0.00 C ATOM 65 C PRO A 5 39.937 18.027 0.894 1.00 0.00 C ATOM 66 O PRO A 5 40.531 18.955 0.371 1.00 0.00 O ATOM 67 CB PRO A 5 40.121 15.597 0.196 1.00 0.00 C ATOM 68 CG PRO A 5 40.732 15.304 -1.146 1.00 0.00 C ATOM 69 CD PRO A 5 40.748 16.625 -1.854 1.00 0.00 C ATOM 0 HA PRO A 5 38.272 16.855 0.319 1.00 0.00 H new ATOM 0 HB2 PRO A 5 40.890 15.708 0.960 1.00 0.00 H new ATOM 0 HB3 PRO A 5 39.470 14.783 0.515 1.00 0.00 H new ATOM 0 HG2 PRO A 5 41.738 14.898 -1.043 1.00 0.00 H new ATOM 0 HG3 PRO A 5 40.146 14.567 -1.696 1.00 0.00 H new ATOM 0 HD2 PRO A 5 41.595 17.242 -1.556 1.00 0.00 H new ATOM 0 HD3 PRO A 5 40.802 16.512 -2.937 1.00 0.00 H new ATOM 77 N PRO A 6 39.789 17.898 2.193 1.00 0.00 N ATOM 78 CA PRO A 6 40.387 18.822 3.180 1.00 0.00 C ATOM 79 C PRO A 6 41.872 19.109 2.916 1.00 0.00 C ATOM 80 O PRO A 6 42.566 18.274 2.369 1.00 0.00 O ATOM 81 CB PRO A 6 40.231 18.053 4.517 1.00 0.00 C ATOM 82 CG PRO A 6 39.846 16.665 4.115 1.00 0.00 C ATOM 83 CD PRO A 6 39.028 16.848 2.897 1.00 0.00 C ATOM 0 HA PRO A 6 39.904 19.799 3.156 1.00 0.00 H new ATOM 0 HB2 PRO A 6 41.160 18.057 5.087 1.00 0.00 H new ATOM 0 HB3 PRO A 6 39.468 18.508 5.149 1.00 0.00 H new ATOM 0 HG2 PRO A 6 40.724 16.051 3.915 1.00 0.00 H new ATOM 0 HG3 PRO A 6 39.281 16.166 4.902 1.00 0.00 H new ATOM 0 HD2 PRO A 6 38.953 15.932 2.311 1.00 0.00 H new ATOM 0 HD3 PRO A 6 38.011 17.163 3.129 1.00 0.00 H new ATOM 91 N GLY A 7 42.298 20.281 3.309 1.00 0.00 N ATOM 92 CA GLY A 7 43.726 20.678 3.114 1.00 0.00 C ATOM 93 C GLY A 7 44.182 20.863 1.656 1.00 0.00 C ATOM 94 O GLY A 7 45.279 21.341 1.433 1.00 0.00 O ATOM 0 H GLY A 7 41.714 20.986 3.760 1.00 0.00 H new ATOM 0 HA2 GLY A 7 43.899 21.612 3.649 1.00 0.00 H new ATOM 0 HA3 GLY A 7 44.359 19.922 3.579 1.00 0.00 H new ATOM 98 N GLN A 8 43.354 20.491 0.709 1.00 0.00 N ATOM 99 CA GLN A 8 43.719 20.625 -0.737 1.00 0.00 C ATOM 100 C GLN A 8 42.838 21.631 -1.482 1.00 0.00 C ATOM 101 O GLN A 8 41.731 21.932 -1.082 1.00 0.00 O ATOM 102 CB GLN A 8 43.596 19.232 -1.352 1.00 0.00 C ATOM 103 CG GLN A 8 44.518 18.254 -0.602 1.00 0.00 C ATOM 104 CD GLN A 8 44.266 16.810 -1.045 1.00 0.00 C ATOM 105 OE1 GLN A 8 44.363 16.460 -2.205 1.00 0.00 O ATOM 106 NE2 GLN A 8 43.935 15.945 -0.123 1.00 0.00 N ATOM 0 H GLN A 8 42.429 20.095 0.879 1.00 0.00 H new ATOM 0 HA GLN A 8 44.734 21.013 -0.823 1.00 0.00 H new ATOM 0 HB2 GLN A 8 42.563 18.889 -1.297 1.00 0.00 H new ATOM 0 HB3 GLN A 8 43.865 19.264 -2.408 1.00 0.00 H new ATOM 0 HG2 GLN A 8 45.560 18.518 -0.786 1.00 0.00 H new ATOM 0 HG3 GLN A 8 44.351 18.343 0.472 1.00 0.00 H new ATOM 0 HE21 GLN A 8 43.854 16.242 0.850 1.00 0.00 H new ATOM 0 HE22 GLN A 8 43.757 14.973 -0.376 1.00 0.00 H new ATOM 115 N THR A 9 43.402 22.108 -2.563 1.00 0.00 N ATOM 116 CA THR A 9 42.739 23.109 -3.460 1.00 0.00 C ATOM 117 C THR A 9 43.085 22.768 -4.911 1.00 0.00 C ATOM 118 O THR A 9 43.859 21.864 -5.156 1.00 0.00 O ATOM 119 CB THR A 9 43.263 24.521 -3.138 1.00 0.00 C ATOM 120 OG1 THR A 9 44.667 24.459 -3.361 1.00 0.00 O ATOM 121 CG2 THR A 9 43.138 24.836 -1.654 1.00 0.00 C ATOM 0 H THR A 9 44.334 21.833 -2.874 1.00 0.00 H new ATOM 0 HA THR A 9 41.660 23.081 -3.309 1.00 0.00 H new ATOM 0 HB THR A 9 42.714 25.253 -3.730 1.00 0.00 H new ATOM 0 HG1 THR A 9 45.067 25.334 -3.174 1.00 0.00 H new ATOM 0 HG21 THR A 9 43.517 25.840 -1.462 1.00 0.00 H new ATOM 0 HG22 THR A 9 42.091 24.780 -1.357 1.00 0.00 H new ATOM 0 HG23 THR A 9 43.717 24.114 -1.079 1.00 0.00 H new ATOM 129 N PHE A 10 42.510 23.496 -5.835 1.00 0.00 N ATOM 130 CA PHE A 10 42.803 23.238 -7.278 1.00 0.00 C ATOM 131 C PHE A 10 44.322 23.369 -7.477 1.00 0.00 C ATOM 132 O PHE A 10 44.998 24.019 -6.700 1.00 0.00 O ATOM 133 CB PHE A 10 42.042 24.268 -8.126 1.00 0.00 C ATOM 134 CG PHE A 10 42.432 24.131 -9.606 1.00 0.00 C ATOM 135 CD1 PHE A 10 41.965 23.088 -10.382 1.00 0.00 C ATOM 136 CD2 PHE A 10 43.273 25.072 -10.174 1.00 0.00 C ATOM 137 CE1 PHE A 10 42.334 22.989 -11.707 1.00 0.00 C ATOM 138 CE2 PHE A 10 43.639 24.974 -11.496 1.00 0.00 C ATOM 139 CZ PHE A 10 43.172 23.934 -12.263 1.00 0.00 C ATOM 0 H PHE A 10 41.853 24.255 -5.654 1.00 0.00 H new ATOM 0 HA PHE A 10 42.485 22.241 -7.583 1.00 0.00 H new ATOM 0 HB2 PHE A 10 40.968 24.122 -8.011 1.00 0.00 H new ATOM 0 HB3 PHE A 10 42.266 25.275 -7.775 1.00 0.00 H new ATOM 0 HD1 PHE A 10 41.309 22.347 -9.949 1.00 0.00 H new ATOM 0 HD2 PHE A 10 43.645 25.890 -9.574 1.00 0.00 H new ATOM 0 HE1 PHE A 10 41.967 22.172 -12.310 1.00 0.00 H new ATOM 0 HE2 PHE A 10 44.294 25.715 -11.931 1.00 0.00 H new ATOM 0 HZ PHE A 10 43.461 23.856 -13.301 1.00 0.00 H new ATOM 149 N GLN A 11 44.811 22.748 -8.515 1.00 0.00 N ATOM 150 CA GLN A 11 46.272 22.803 -8.795 1.00 0.00 C ATOM 151 C GLN A 11 46.277 22.715 -10.331 1.00 0.00 C ATOM 152 O GLN A 11 45.750 21.764 -10.881 1.00 0.00 O ATOM 153 CB GLN A 11 46.929 21.569 -8.110 1.00 0.00 C ATOM 154 CG GLN A 11 48.349 21.885 -7.614 1.00 0.00 C ATOM 155 CD GLN A 11 48.316 22.920 -6.456 1.00 0.00 C ATOM 156 OE1 GLN A 11 49.169 23.782 -6.380 1.00 0.00 O ATOM 157 NE2 GLN A 11 47.379 22.893 -5.533 1.00 0.00 N ATOM 0 H GLN A 11 44.261 22.205 -9.181 1.00 0.00 H new ATOM 0 HA GLN A 11 46.818 23.674 -8.432 1.00 0.00 H new ATOM 0 HB2 GLN A 11 46.313 21.248 -7.270 1.00 0.00 H new ATOM 0 HB3 GLN A 11 46.966 20.738 -8.814 1.00 0.00 H new ATOM 0 HG2 GLN A 11 48.832 20.969 -7.274 1.00 0.00 H new ATOM 0 HG3 GLN A 11 48.948 22.274 -8.438 1.00 0.00 H new ATOM 0 HE21 GLN A 11 46.649 22.182 -5.568 1.00 0.00 H new ATOM 0 HE22 GLN A 11 47.383 23.583 -4.782 1.00 0.00 H new ATOM 166 N THR A 12 46.861 23.685 -10.989 1.00 0.00 N ATOM 167 CA THR A 12 46.880 23.646 -12.484 1.00 0.00 C ATOM 168 C THR A 12 47.945 22.702 -13.058 1.00 0.00 C ATOM 169 O THR A 12 47.639 21.979 -13.988 1.00 0.00 O ATOM 170 CB THR A 12 47.096 25.099 -13.003 1.00 0.00 C ATOM 171 OG1 THR A 12 47.062 24.993 -14.421 1.00 0.00 O ATOM 172 CG2 THR A 12 48.497 25.654 -12.700 1.00 0.00 C ATOM 0 H THR A 12 47.319 24.491 -10.564 1.00 0.00 H new ATOM 0 HA THR A 12 45.925 23.246 -12.825 1.00 0.00 H new ATOM 0 HB THR A 12 46.350 25.743 -12.538 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.191 25.879 -14.818 1.00 0.00 H new ATOM 0 HG21 THR A 12 48.578 26.669 -13.089 1.00 0.00 H new ATOM 0 HG22 THR A 12 48.659 25.664 -11.622 1.00 0.00 H new ATOM 0 HG23 THR A 12 49.249 25.023 -13.174 1.00 0.00 H new ATOM 180 N CYS A 13 49.141 22.718 -12.515 1.00 0.00 N ATOM 181 CA CYS A 13 50.193 21.809 -13.063 1.00 0.00 C ATOM 182 C CYS A 13 50.736 20.793 -12.063 1.00 0.00 C ATOM 183 O CYS A 13 51.564 21.107 -11.229 1.00 0.00 O ATOM 184 CB CYS A 13 51.390 22.602 -13.582 1.00 0.00 C ATOM 185 SG CYS A 13 52.639 21.523 -14.327 1.00 0.00 S ATOM 0 H CYS A 13 49.428 23.308 -11.734 1.00 0.00 H new ATOM 0 HA CYS A 13 49.683 21.269 -13.861 1.00 0.00 H new ATOM 0 HB2 CYS A 13 51.052 23.330 -14.320 1.00 0.00 H new ATOM 0 HB3 CYS A 13 51.837 23.164 -12.762 1.00 0.00 H new ATOM 190 N ALA A 14 50.236 19.594 -12.187 1.00 0.00 N ATOM 191 CA ALA A 14 50.679 18.500 -11.281 1.00 0.00 C ATOM 192 C ALA A 14 50.354 17.118 -11.850 1.00 0.00 C ATOM 193 O ALA A 14 49.242 16.894 -12.277 1.00 0.00 O ATOM 194 CB ALA A 14 49.992 18.714 -9.951 1.00 0.00 C ATOM 0 H ALA A 14 49.537 19.325 -12.880 1.00 0.00 H new ATOM 0 HA ALA A 14 51.763 18.530 -11.167 1.00 0.00 H new ATOM 0 HB1 ALA A 14 50.292 17.929 -9.256 1.00 0.00 H new ATOM 0 HB2 ALA A 14 50.277 19.685 -9.546 1.00 0.00 H new ATOM 0 HB3 ALA A 14 48.911 18.682 -10.090 1.00 0.00 H new ATOM 200 N SER A 15 51.321 16.230 -11.846 1.00 0.00 N ATOM 201 CA SER A 15 51.087 14.851 -12.383 1.00 0.00 C ATOM 202 C SER A 15 50.300 14.066 -11.315 1.00 0.00 C ATOM 203 O SER A 15 49.367 14.586 -10.736 1.00 0.00 O ATOM 204 CB SER A 15 52.455 14.179 -12.664 1.00 0.00 C ATOM 205 OG SER A 15 52.144 13.005 -13.401 1.00 0.00 O ATOM 0 H SER A 15 52.263 16.401 -11.494 1.00 0.00 H new ATOM 0 HA SER A 15 50.521 14.875 -13.314 1.00 0.00 H new ATOM 0 HB2 SER A 15 53.110 14.840 -13.232 1.00 0.00 H new ATOM 0 HB3 SER A 15 52.974 13.937 -11.736 1.00 0.00 H new ATOM 0 HG SER A 15 52.971 12.526 -13.617 1.00 0.00 H new ATOM 211 N SER A 16 50.699 12.841 -11.090 1.00 0.00 N ATOM 212 CA SER A 16 50.031 11.976 -10.084 1.00 0.00 C ATOM 213 C SER A 16 51.069 11.673 -8.985 1.00 0.00 C ATOM 214 O SER A 16 50.960 10.665 -8.312 1.00 0.00 O ATOM 215 CB SER A 16 49.559 10.695 -10.810 1.00 0.00 C ATOM 216 OG SER A 16 48.885 9.932 -9.819 1.00 0.00 O ATOM 0 H SER A 16 51.479 12.398 -11.575 1.00 0.00 H new ATOM 0 HA SER A 16 49.162 12.446 -9.623 1.00 0.00 H new ATOM 0 HB2 SER A 16 48.896 10.935 -11.641 1.00 0.00 H new ATOM 0 HB3 SER A 16 50.403 10.144 -11.225 1.00 0.00 H new ATOM 0 HG SER A 16 49.424 9.910 -9.001 1.00 0.00 H new ATOM 222 N CYS A 17 52.048 12.545 -8.833 1.00 0.00 N ATOM 223 CA CYS A 17 53.093 12.306 -7.775 1.00 0.00 C ATOM 224 C CYS A 17 52.932 13.319 -6.612 1.00 0.00 C ATOM 225 O CYS A 17 53.712 14.245 -6.493 1.00 0.00 O ATOM 226 CB CYS A 17 54.517 12.444 -8.400 1.00 0.00 C ATOM 227 SG CYS A 17 55.256 14.040 -8.846 1.00 0.00 S ATOM 0 H CYS A 17 52.167 13.395 -9.384 1.00 0.00 H new ATOM 0 HA CYS A 17 52.965 11.298 -7.380 1.00 0.00 H new ATOM 0 HB2 CYS A 17 55.207 11.969 -7.703 1.00 0.00 H new ATOM 0 HB3 CYS A 17 54.515 11.841 -9.308 1.00 0.00 H new ATOM 232 N PRO A 18 51.932 13.122 -5.774 1.00 0.00 N ATOM 233 CA PRO A 18 51.493 14.153 -4.808 1.00 0.00 C ATOM 234 C PRO A 18 52.589 14.593 -3.833 1.00 0.00 C ATOM 235 O PRO A 18 53.426 13.792 -3.464 1.00 0.00 O ATOM 236 CB PRO A 18 50.356 13.471 -4.019 1.00 0.00 C ATOM 237 CG PRO A 18 50.562 12.019 -4.243 1.00 0.00 C ATOM 238 CD PRO A 18 51.103 11.909 -5.634 1.00 0.00 C ATOM 0 HA PRO A 18 51.199 15.061 -5.336 1.00 0.00 H new ATOM 0 HB2 PRO A 18 50.405 13.719 -2.959 1.00 0.00 H new ATOM 0 HB3 PRO A 18 49.378 13.792 -4.376 1.00 0.00 H new ATOM 0 HG2 PRO A 18 51.259 11.603 -3.515 1.00 0.00 H new ATOM 0 HG3 PRO A 18 49.627 11.468 -4.139 1.00 0.00 H new ATOM 0 HD2 PRO A 18 51.693 11.002 -5.765 1.00 0.00 H new ATOM 0 HD3 PRO A 18 50.304 11.880 -6.375 1.00 0.00 H new ATOM 246 N LYS A 19 52.533 15.847 -3.463 1.00 0.00 N ATOM 247 CA LYS A 19 53.531 16.412 -2.514 1.00 0.00 C ATOM 248 C LYS A 19 53.051 15.971 -1.139 1.00 0.00 C ATOM 249 O LYS A 19 51.891 16.113 -0.798 1.00 0.00 O ATOM 250 CB LYS A 19 53.555 17.962 -2.631 1.00 0.00 C ATOM 251 CG LYS A 19 52.189 18.591 -2.246 1.00 0.00 C ATOM 252 CD LYS A 19 52.101 20.133 -2.492 1.00 0.00 C ATOM 253 CE LYS A 19 53.102 20.953 -1.656 1.00 0.00 C ATOM 254 NZ LYS A 19 54.501 20.674 -2.061 1.00 0.00 N ATOM 0 H LYS A 19 51.827 16.510 -3.784 1.00 0.00 H new ATOM 0 HA LYS A 19 54.546 16.069 -2.714 1.00 0.00 H new ATOM 0 HB2 LYS A 19 54.335 18.363 -1.984 1.00 0.00 H new ATOM 0 HB3 LYS A 19 53.811 18.245 -3.652 1.00 0.00 H new ATOM 0 HG2 LYS A 19 51.401 18.098 -2.816 1.00 0.00 H new ATOM 0 HG3 LYS A 19 51.994 18.391 -1.193 1.00 0.00 H new ATOM 0 HD2 LYS A 19 52.275 20.334 -3.549 1.00 0.00 H new ATOM 0 HD3 LYS A 19 51.090 20.471 -2.265 1.00 0.00 H new ATOM 0 HE2 LYS A 19 52.892 22.016 -1.774 1.00 0.00 H new ATOM 0 HE3 LYS A 19 52.974 20.719 -0.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 55.085 21.519 -1.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 54.874 19.883 -1.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 54.527 20.424 -3.070 1.00 0.00 H new ATOM 268 N THR A 20 53.970 15.433 -0.397 1.00 0.00 N ATOM 269 CA THR A 20 53.641 14.951 0.977 1.00 0.00 C ATOM 270 C THR A 20 54.799 15.272 1.907 1.00 0.00 C ATOM 271 O THR A 20 55.820 15.753 1.456 1.00 0.00 O ATOM 272 CB THR A 20 53.423 13.431 0.967 1.00 0.00 C ATOM 273 OG1 THR A 20 54.670 12.856 0.602 1.00 0.00 O ATOM 274 CG2 THR A 20 52.489 12.980 -0.172 1.00 0.00 C ATOM 0 H THR A 20 54.941 15.303 -0.680 1.00 0.00 H new ATOM 0 HA THR A 20 52.731 15.444 1.318 1.00 0.00 H new ATOM 0 HB THR A 20 53.018 13.144 1.937 1.00 0.00 H new ATOM 0 HG1 THR A 20 54.550 11.899 0.426 1.00 0.00 H new ATOM 0 HG21 THR A 20 52.367 11.897 -0.136 1.00 0.00 H new ATOM 0 HG22 THR A 20 51.517 13.459 -0.056 1.00 0.00 H new ATOM 0 HG23 THR A 20 52.921 13.264 -1.131 1.00 0.00 H new ATOM 282 N CYS A 21 54.604 14.996 3.174 1.00 0.00 N ATOM 283 CA CYS A 21 55.688 15.270 4.163 1.00 0.00 C ATOM 284 C CYS A 21 56.963 14.517 3.741 1.00 0.00 C ATOM 285 O CYS A 21 58.063 14.881 4.110 1.00 0.00 O ATOM 286 CB CYS A 21 55.244 14.805 5.548 1.00 0.00 C ATOM 287 SG CYS A 21 53.847 15.647 6.338 1.00 0.00 S ATOM 0 H CYS A 21 53.749 14.597 3.561 1.00 0.00 H new ATOM 0 HA CYS A 21 55.895 16.340 4.195 1.00 0.00 H new ATOM 0 HB2 CYS A 21 54.996 13.746 5.478 1.00 0.00 H new ATOM 0 HB3 CYS A 21 56.101 14.888 6.216 1.00 0.00 H new ATOM 292 N GLU A 22 56.751 13.478 2.971 1.00 0.00 N ATOM 293 CA GLU A 22 57.875 12.644 2.462 1.00 0.00 C ATOM 294 C GLU A 22 58.510 13.327 1.234 1.00 0.00 C ATOM 295 O GLU A 22 59.719 13.436 1.166 1.00 0.00 O ATOM 296 CB GLU A 22 57.317 11.257 2.092 1.00 0.00 C ATOM 297 CG GLU A 22 58.422 10.333 1.519 1.00 0.00 C ATOM 298 CD GLU A 22 59.556 10.147 2.546 1.00 0.00 C ATOM 299 OE1 GLU A 22 59.358 9.336 3.437 1.00 0.00 O ATOM 300 OE2 GLU A 22 60.554 10.828 2.382 1.00 0.00 O ATOM 0 H GLU A 22 55.826 13.170 2.670 1.00 0.00 H new ATOM 0 HA GLU A 22 58.647 12.532 3.223 1.00 0.00 H new ATOM 0 HB2 GLU A 22 56.876 10.794 2.975 1.00 0.00 H new ATOM 0 HB3 GLU A 22 56.519 11.369 1.358 1.00 0.00 H new ATOM 0 HG2 GLU A 22 57.996 9.364 1.260 1.00 0.00 H new ATOM 0 HG3 GLU A 22 58.822 10.761 0.600 1.00 0.00 H new ATOM 307 N THR A 23 57.686 13.766 0.307 1.00 0.00 N ATOM 308 CA THR A 23 58.197 14.443 -0.927 1.00 0.00 C ATOM 309 C THR A 23 57.737 15.907 -0.962 1.00 0.00 C ATOM 310 O THR A 23 56.869 16.338 -1.694 1.00 0.00 O ATOM 311 CB THR A 23 57.693 13.606 -2.131 1.00 0.00 C ATOM 312 OG1 THR A 23 58.110 14.297 -3.298 1.00 0.00 O ATOM 313 CG2 THR A 23 56.172 13.447 -2.246 1.00 0.00 C ATOM 0 H THR A 23 56.671 13.682 0.356 1.00 0.00 H new ATOM 0 HA THR A 23 59.286 14.486 -0.955 1.00 0.00 H new ATOM 0 HB THR A 23 58.098 12.603 -2.000 1.00 0.00 H new ATOM 0 HG1 THR A 23 58.310 13.651 -4.007 1.00 0.00 H new ATOM 0 HG21 THR A 23 55.934 12.844 -3.123 1.00 0.00 H new ATOM 0 HG22 THR A 23 55.789 12.954 -1.352 1.00 0.00 H new ATOM 0 HG23 THR A 23 55.710 14.429 -2.345 1.00 0.00 H new ATOM 321 N ARG A 24 58.415 16.608 -0.099 1.00 0.00 N ATOM 322 CA ARG A 24 58.222 18.078 0.128 1.00 0.00 C ATOM 323 C ARG A 24 59.072 18.910 -0.839 1.00 0.00 C ATOM 324 O ARG A 24 58.858 20.094 -1.017 1.00 0.00 O ATOM 325 CB ARG A 24 58.645 18.416 1.553 1.00 0.00 C ATOM 326 CG ARG A 24 57.753 17.660 2.553 1.00 0.00 C ATOM 327 CD ARG A 24 58.156 17.957 4.006 1.00 0.00 C ATOM 328 NE ARG A 24 59.512 17.381 4.236 1.00 0.00 N ATOM 329 CZ ARG A 24 60.443 18.006 4.917 1.00 0.00 C ATOM 330 NH1 ARG A 24 60.227 19.185 5.440 1.00 0.00 N ATOM 331 NH2 ARG A 24 61.594 17.409 5.057 1.00 0.00 N ATOM 0 H ARG A 24 59.138 16.201 0.494 1.00 0.00 H new ATOM 0 HA ARG A 24 57.171 18.314 -0.039 1.00 0.00 H new ATOM 0 HB2 ARG A 24 59.690 18.145 1.706 1.00 0.00 H new ATOM 0 HB3 ARG A 24 58.566 19.490 1.721 1.00 0.00 H new ATOM 0 HG2 ARG A 24 56.712 17.942 2.399 1.00 0.00 H new ATOM 0 HG3 ARG A 24 57.824 16.588 2.367 1.00 0.00 H new ATOM 0 HD2 ARG A 24 58.163 19.032 4.187 1.00 0.00 H new ATOM 0 HD3 ARG A 24 57.435 17.522 4.698 1.00 0.00 H new ATOM 0 HE ARG A 24 59.725 16.462 3.847 1.00 0.00 H new ATOM 0 HH11 ARG A 24 59.320 19.637 5.322 1.00 0.00 H new ATOM 0 HH12 ARG A 24 60.965 19.653 5.966 1.00 0.00 H new ATOM 0 HH21 ARG A 24 61.745 16.489 4.644 1.00 0.00 H new ATOM 0 HH22 ARG A 24 62.343 17.862 5.580 1.00 0.00 H new ATOM 345 N ASN A 25 60.012 18.223 -1.423 1.00 0.00 N ATOM 346 CA ASN A 25 60.975 18.808 -2.393 1.00 0.00 C ATOM 347 C ASN A 25 60.358 19.696 -3.489 1.00 0.00 C ATOM 348 O ASN A 25 60.974 20.654 -3.915 1.00 0.00 O ATOM 349 CB ASN A 25 61.738 17.633 -3.008 1.00 0.00 C ATOM 350 CG ASN A 25 62.457 16.839 -1.907 1.00 0.00 C ATOM 351 OD1 ASN A 25 63.628 17.031 -1.647 1.00 0.00 O ATOM 352 ND2 ASN A 25 61.788 15.939 -1.239 1.00 0.00 N ATOM 0 H ASN A 25 60.157 17.227 -1.256 1.00 0.00 H new ATOM 0 HA ASN A 25 61.622 19.496 -1.850 1.00 0.00 H new ATOM 0 HB2 ASN A 25 61.048 16.982 -3.546 1.00 0.00 H new ATOM 0 HB3 ASN A 25 62.462 18.000 -3.735 1.00 0.00 H new ATOM 0 HD21 ASN A 25 62.249 15.402 -0.504 1.00 0.00 H new ATOM 0 HD22 ASN A 25 60.804 15.772 -1.452 1.00 0.00 H new ATOM 359 N LYS A 26 59.167 19.352 -3.907 1.00 0.00 N ATOM 360 CA LYS A 26 58.449 20.120 -4.963 1.00 0.00 C ATOM 361 C LYS A 26 57.382 20.940 -4.250 1.00 0.00 C ATOM 362 O LYS A 26 56.585 20.395 -3.515 1.00 0.00 O ATOM 363 CB LYS A 26 57.763 19.166 -5.979 1.00 0.00 C ATOM 364 CG LYS A 26 58.768 18.318 -6.810 1.00 0.00 C ATOM 365 CD LYS A 26 59.668 17.372 -5.987 1.00 0.00 C ATOM 366 CE LYS A 26 58.837 16.397 -5.138 1.00 0.00 C ATOM 367 NZ LYS A 26 57.947 15.572 -6.005 1.00 0.00 N ATOM 0 H LYS A 26 58.651 18.549 -3.549 1.00 0.00 H new ATOM 0 HA LYS A 26 59.149 20.746 -5.517 1.00 0.00 H new ATOM 0 HB2 LYS A 26 57.093 18.496 -5.441 1.00 0.00 H new ATOM 0 HB3 LYS A 26 57.147 19.754 -6.659 1.00 0.00 H new ATOM 0 HG2 LYS A 26 58.207 17.724 -7.532 1.00 0.00 H new ATOM 0 HG3 LYS A 26 59.405 18.994 -7.380 1.00 0.00 H new ATOM 0 HD2 LYS A 26 60.316 16.809 -6.659 1.00 0.00 H new ATOM 0 HD3 LYS A 26 60.316 17.960 -5.337 1.00 0.00 H new ATOM 0 HE2 LYS A 26 59.500 15.748 -4.567 1.00 0.00 H new ATOM 0 HE3 LYS A 26 58.238 16.954 -4.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 57.522 14.809 -5.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 57.194 16.171 -6.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 58.503 15.159 -6.781 1.00 0.00 H new ATOM 381 N LEU A 27 57.417 22.221 -4.494 1.00 0.00 N ATOM 382 CA LEU A 27 56.441 23.184 -3.881 1.00 0.00 C ATOM 383 C LEU A 27 55.162 23.285 -4.714 1.00 0.00 C ATOM 384 O LEU A 27 54.577 24.331 -4.919 1.00 0.00 O ATOM 385 CB LEU A 27 57.096 24.577 -3.770 1.00 0.00 C ATOM 386 CG LEU A 27 58.251 24.604 -2.741 1.00 0.00 C ATOM 387 CD1 LEU A 27 59.462 23.706 -3.106 1.00 0.00 C ATOM 388 CD2 LEU A 27 58.729 26.057 -2.540 1.00 0.00 C ATOM 0 H LEU A 27 58.101 22.659 -5.111 1.00 0.00 H new ATOM 0 HA LEU A 27 56.173 22.816 -2.891 1.00 0.00 H new ATOM 0 HB2 LEU A 27 57.476 24.876 -4.747 1.00 0.00 H new ATOM 0 HB3 LEU A 27 56.341 25.309 -3.484 1.00 0.00 H new ATOM 0 HG LEU A 27 57.840 24.191 -1.820 1.00 0.00 H new ATOM 0 HD11 LEU A 27 60.222 23.787 -2.329 1.00 0.00 H new ATOM 0 HD12 LEU A 27 59.135 22.669 -3.187 1.00 0.00 H new ATOM 0 HD13 LEU A 27 59.881 24.029 -4.059 1.00 0.00 H new ATOM 0 HD21 LEU A 27 59.543 26.075 -1.815 1.00 0.00 H new ATOM 0 HD22 LEU A 27 59.081 26.459 -3.490 1.00 0.00 H new ATOM 0 HD23 LEU A 27 57.902 26.665 -2.173 1.00 0.00 H new ATOM 400 N VAL A 28 54.790 22.123 -5.158 1.00 0.00 N ATOM 401 CA VAL A 28 53.580 21.915 -6.004 1.00 0.00 C ATOM 402 C VAL A 28 53.226 20.460 -5.765 1.00 0.00 C ATOM 403 O VAL A 28 54.061 19.686 -5.338 1.00 0.00 O ATOM 404 CB VAL A 28 53.899 22.076 -7.491 1.00 0.00 C ATOM 405 CG1 VAL A 28 52.608 22.130 -8.325 1.00 0.00 C ATOM 406 CG2 VAL A 28 54.801 23.301 -7.776 1.00 0.00 C ATOM 0 H VAL A 28 55.301 21.263 -4.960 1.00 0.00 H new ATOM 0 HA VAL A 28 52.794 22.629 -5.757 1.00 0.00 H new ATOM 0 HB VAL A 28 54.467 21.195 -7.791 1.00 0.00 H new ATOM 0 HG11 VAL A 28 52.860 22.245 -9.379 1.00 0.00 H new ATOM 0 HG12 VAL A 28 52.046 21.207 -8.185 1.00 0.00 H new ATOM 0 HG13 VAL A 28 52.002 22.977 -8.003 1.00 0.00 H new ATOM 0 HG21 VAL A 28 54.996 23.368 -8.846 1.00 0.00 H new ATOM 0 HG22 VAL A 28 54.299 24.209 -7.441 1.00 0.00 H new ATOM 0 HG23 VAL A 28 55.744 23.190 -7.241 1.00 0.00 H new ATOM 416 N LEU A 29 51.997 20.137 -6.055 1.00 0.00 N ATOM 417 CA LEU A 29 51.534 18.739 -5.865 1.00 0.00 C ATOM 418 C LEU A 29 52.492 17.765 -6.547 1.00 0.00 C ATOM 419 O LEU A 29 52.843 16.730 -6.018 1.00 0.00 O ATOM 420 CB LEU A 29 50.125 18.646 -6.448 1.00 0.00 C ATOM 421 CG LEU A 29 49.552 17.198 -6.342 1.00 0.00 C ATOM 422 CD1 LEU A 29 49.274 16.840 -4.866 1.00 0.00 C ATOM 423 CD2 LEU A 29 48.282 17.034 -7.194 1.00 0.00 C ATOM 0 H LEU A 29 51.294 20.783 -6.415 1.00 0.00 H new ATOM 0 HA LEU A 29 51.515 18.471 -4.809 1.00 0.00 H new ATOM 0 HB2 LEU A 29 49.467 19.337 -5.922 1.00 0.00 H new ATOM 0 HB3 LEU A 29 50.142 18.955 -7.493 1.00 0.00 H new ATOM 0 HG LEU A 29 50.300 16.508 -6.733 1.00 0.00 H new ATOM 0 HD11 LEU A 29 48.875 15.828 -4.806 1.00 0.00 H new ATOM 0 HD12 LEU A 29 50.202 16.898 -4.296 1.00 0.00 H new ATOM 0 HD13 LEU A 29 48.549 17.541 -4.452 1.00 0.00 H new ATOM 0 HD21 LEU A 29 47.909 16.014 -7.098 1.00 0.00 H new ATOM 0 HD22 LEU A 29 47.520 17.733 -6.850 1.00 0.00 H new ATOM 0 HD23 LEU A 29 48.516 17.238 -8.239 1.00 0.00 H new ATOM 435 N CYS A 30 52.872 18.178 -7.718 1.00 0.00 N ATOM 436 CA CYS A 30 53.811 17.399 -8.575 1.00 0.00 C ATOM 437 C CYS A 30 54.252 18.304 -9.735 1.00 0.00 C ATOM 438 O CYS A 30 53.694 19.368 -9.929 1.00 0.00 O ATOM 439 CB CYS A 30 53.087 16.141 -9.099 1.00 0.00 C ATOM 440 SG CYS A 30 54.067 15.033 -10.139 1.00 0.00 S ATOM 0 H CYS A 30 52.561 19.055 -8.134 1.00 0.00 H new ATOM 0 HA CYS A 30 54.688 17.079 -8.013 1.00 0.00 H new ATOM 0 HB2 CYS A 30 52.722 15.574 -8.243 1.00 0.00 H new ATOM 0 HB3 CYS A 30 52.213 16.460 -9.666 1.00 0.00 H new ATOM 445 N ASP A 31 55.241 17.860 -10.472 1.00 0.00 N ATOM 446 CA ASP A 31 55.755 18.663 -11.629 1.00 0.00 C ATOM 447 C ASP A 31 55.988 17.808 -12.890 1.00 0.00 C ATOM 448 O ASP A 31 56.136 18.346 -13.971 1.00 0.00 O ATOM 449 CB ASP A 31 57.067 19.336 -11.177 1.00 0.00 C ATOM 450 CG ASP A 31 57.636 20.212 -12.309 1.00 0.00 C ATOM 451 OD1 ASP A 31 57.087 21.288 -12.489 1.00 0.00 O ATOM 452 OD2 ASP A 31 58.584 19.759 -12.929 1.00 0.00 O ATOM 0 H ASP A 31 55.718 16.971 -10.322 1.00 0.00 H new ATOM 0 HA ASP A 31 55.007 19.405 -11.909 1.00 0.00 H new ATOM 0 HB2 ASP A 31 56.885 19.946 -10.292 1.00 0.00 H new ATOM 0 HB3 ASP A 31 57.795 18.576 -10.895 1.00 0.00 H new ATOM 457 N LYS A 32 56.013 16.509 -12.717 1.00 0.00 N ATOM 458 CA LYS A 32 56.234 15.568 -13.866 1.00 0.00 C ATOM 459 C LYS A 32 55.216 15.757 -15.011 1.00 0.00 C ATOM 460 O LYS A 32 55.461 15.349 -16.129 1.00 0.00 O ATOM 461 CB LYS A 32 56.152 14.121 -13.335 1.00 0.00 C ATOM 462 CG LYS A 32 57.248 13.892 -12.264 1.00 0.00 C ATOM 463 CD LYS A 32 57.181 12.480 -11.609 1.00 0.00 C ATOM 464 CE LYS A 32 57.409 11.312 -12.603 1.00 0.00 C ATOM 465 NZ LYS A 32 56.317 11.222 -13.613 1.00 0.00 N ATOM 0 H LYS A 32 55.888 16.051 -11.814 1.00 0.00 H new ATOM 0 HA LYS A 32 57.217 15.783 -14.286 1.00 0.00 H new ATOM 0 HB2 LYS A 32 55.167 13.937 -12.906 1.00 0.00 H new ATOM 0 HB3 LYS A 32 56.279 13.415 -14.156 1.00 0.00 H new ATOM 0 HG2 LYS A 32 58.228 14.027 -12.722 1.00 0.00 H new ATOM 0 HG3 LYS A 32 57.152 14.651 -11.487 1.00 0.00 H new ATOM 0 HD2 LYS A 32 57.929 12.422 -10.818 1.00 0.00 H new ATOM 0 HD3 LYS A 32 56.207 12.356 -11.136 1.00 0.00 H new ATOM 0 HE2 LYS A 32 58.363 11.449 -13.111 1.00 0.00 H new ATOM 0 HE3 LYS A 32 57.473 10.374 -12.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 56.035 10.228 -13.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 55.499 11.777 -13.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 56.653 11.598 -14.522 1.00 0.00 H new ATOM 479 N LYS A 33 54.108 16.370 -14.683 1.00 0.00 N ATOM 480 CA LYS A 33 53.016 16.635 -15.671 1.00 0.00 C ATOM 481 C LYS A 33 52.102 17.727 -15.120 1.00 0.00 C ATOM 482 O LYS A 33 52.107 17.991 -13.933 1.00 0.00 O ATOM 483 CB LYS A 33 52.236 15.315 -15.904 1.00 0.00 C ATOM 484 CG LYS A 33 51.043 15.534 -16.854 1.00 0.00 C ATOM 485 CD LYS A 33 50.313 14.196 -17.157 1.00 0.00 C ATOM 486 CE LYS A 33 51.237 13.189 -17.873 1.00 0.00 C ATOM 487 NZ LYS A 33 51.733 13.767 -19.154 1.00 0.00 N ATOM 0 H LYS A 33 53.908 16.709 -13.742 1.00 0.00 H new ATOM 0 HA LYS A 33 53.422 16.977 -16.623 1.00 0.00 H new ATOM 0 HB2 LYS A 33 52.905 14.563 -16.323 1.00 0.00 H new ATOM 0 HB3 LYS A 33 51.878 14.927 -14.950 1.00 0.00 H new ATOM 0 HG2 LYS A 33 50.343 16.240 -16.407 1.00 0.00 H new ATOM 0 HG3 LYS A 33 51.393 15.979 -17.785 1.00 0.00 H new ATOM 0 HD2 LYS A 33 49.952 13.760 -16.226 1.00 0.00 H new ATOM 0 HD3 LYS A 33 49.438 14.391 -17.777 1.00 0.00 H new ATOM 0 HE2 LYS A 33 52.079 12.936 -17.229 1.00 0.00 H new ATOM 0 HE3 LYS A 33 50.696 12.263 -18.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 52.152 13.013 -19.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 50.941 14.202 -19.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 52.453 14.490 -18.953 1.00 0.00 H new ATOM 501 N CYS A 34 51.348 18.326 -16.010 1.00 0.00 N ATOM 502 CA CYS A 34 50.413 19.407 -15.595 1.00 0.00 C ATOM 503 C CYS A 34 48.918 19.067 -15.692 1.00 0.00 C ATOM 504 O CYS A 34 48.214 19.471 -16.598 1.00 0.00 O ATOM 505 CB CYS A 34 50.660 20.652 -16.430 1.00 0.00 C ATOM 506 SG CYS A 34 52.207 21.582 -16.300 1.00 0.00 S ATOM 0 H CYS A 34 51.343 18.109 -17.007 1.00 0.00 H new ATOM 0 HA CYS A 34 50.629 19.559 -14.538 1.00 0.00 H new ATOM 0 HB2 CYS A 34 50.552 20.360 -17.475 1.00 0.00 H new ATOM 0 HB3 CYS A 34 49.851 21.348 -16.208 1.00 0.00 H new ATOM 511 N ASN A 35 48.492 18.311 -14.723 1.00 0.00 N ATOM 512 CA ASN A 35 47.051 17.891 -14.656 1.00 0.00 C ATOM 513 C ASN A 35 46.308 19.000 -13.889 1.00 0.00 C ATOM 514 O ASN A 35 46.696 19.348 -12.789 1.00 0.00 O ATOM 515 CB ASN A 35 46.851 16.576 -13.866 1.00 0.00 C ATOM 516 CG ASN A 35 47.707 15.428 -14.411 1.00 0.00 C ATOM 517 OD1 ASN A 35 48.009 15.349 -15.585 1.00 0.00 O ATOM 518 ND2 ASN A 35 48.115 14.515 -13.571 1.00 0.00 N ATOM 0 H ASN A 35 49.077 17.959 -13.965 1.00 0.00 H new ATOM 0 HA ASN A 35 46.686 17.733 -15.671 1.00 0.00 H new ATOM 0 HB2 ASN A 35 47.099 16.744 -12.818 1.00 0.00 H new ATOM 0 HB3 ASN A 35 45.800 16.290 -13.903 1.00 0.00 H new ATOM 0 HD21 ASN A 35 48.686 13.737 -13.901 1.00 0.00 H new ATOM 0 HD22 ASN A 35 47.862 14.580 -12.585 1.00 0.00 H new ATOM 525 N GLN A 36 45.268 19.520 -14.490 1.00 0.00 N ATOM 526 CA GLN A 36 44.463 20.601 -13.840 1.00 0.00 C ATOM 527 C GLN A 36 43.374 19.941 -12.983 1.00 0.00 C ATOM 528 O GLN A 36 42.218 19.851 -13.349 1.00 0.00 O ATOM 529 CB GLN A 36 43.858 21.489 -14.952 1.00 0.00 C ATOM 530 CG GLN A 36 44.998 22.182 -15.730 1.00 0.00 C ATOM 531 CD GLN A 36 44.420 23.076 -16.836 1.00 0.00 C ATOM 532 OE1 GLN A 36 43.464 23.801 -16.641 1.00 0.00 O ATOM 533 NE2 GLN A 36 44.977 23.053 -18.015 1.00 0.00 N ATOM 0 H GLN A 36 44.938 19.239 -15.413 1.00 0.00 H new ATOM 0 HA GLN A 36 45.075 21.230 -13.193 1.00 0.00 H new ATOM 0 HB2 GLN A 36 43.256 20.883 -15.629 1.00 0.00 H new ATOM 0 HB3 GLN A 36 43.194 22.235 -14.516 1.00 0.00 H new ATOM 0 HG2 GLN A 36 45.602 22.780 -15.048 1.00 0.00 H new ATOM 0 HG3 GLN A 36 45.658 21.432 -16.166 1.00 0.00 H new ATOM 0 HE21 GLN A 36 45.780 22.448 -18.188 1.00 0.00 H new ATOM 0 HE22 GLN A 36 44.610 23.640 -18.764 1.00 0.00 H new ATOM 542 N ARG A 37 43.833 19.497 -11.844 1.00 0.00 N ATOM 543 CA ARG A 37 42.979 18.813 -10.825 1.00 0.00 C ATOM 544 C ARG A 37 43.338 19.335 -9.442 1.00 0.00 C ATOM 545 O ARG A 37 44.040 20.318 -9.325 1.00 0.00 O ATOM 546 CB ARG A 37 43.225 17.288 -10.898 1.00 0.00 C ATOM 547 CG ARG A 37 44.749 16.999 -10.746 1.00 0.00 C ATOM 548 CD ARG A 37 45.048 15.489 -10.778 1.00 0.00 C ATOM 549 NE ARG A 37 44.406 14.833 -9.592 1.00 0.00 N ATOM 550 CZ ARG A 37 43.245 14.231 -9.653 1.00 0.00 C ATOM 551 NH1 ARG A 37 42.570 14.174 -10.771 1.00 0.00 N ATOM 552 NH2 ARG A 37 42.786 13.691 -8.559 1.00 0.00 N ATOM 0 H ARG A 37 44.810 19.585 -11.565 1.00 0.00 H new ATOM 0 HA ARG A 37 41.926 19.015 -11.022 1.00 0.00 H new ATOM 0 HB2 ARG A 37 42.668 16.781 -10.110 1.00 0.00 H new ATOM 0 HB3 ARG A 37 42.863 16.896 -11.848 1.00 0.00 H new ATOM 0 HG2 ARG A 37 45.295 17.495 -11.548 1.00 0.00 H new ATOM 0 HG3 ARG A 37 45.108 17.421 -9.807 1.00 0.00 H new ATOM 0 HD2 ARG A 37 44.668 15.051 -11.701 1.00 0.00 H new ATOM 0 HD3 ARG A 37 46.125 15.319 -10.764 1.00 0.00 H new ATOM 0 HE ARG A 37 44.896 14.857 -8.698 1.00 0.00 H new ATOM 0 HH11 ARG A 37 42.946 14.603 -11.616 1.00 0.00 H new ATOM 0 HH12 ARG A 37 41.667 13.700 -10.798 1.00 0.00 H new ATOM 0 HH21 ARG A 37 43.328 13.747 -7.697 1.00 0.00 H new ATOM 0 HH22 ARG A 37 41.885 13.213 -8.565 1.00 0.00 H new ATOM 566 N CYS A 38 42.858 18.662 -8.431 1.00 0.00 N ATOM 567 CA CYS A 38 43.175 19.126 -7.049 1.00 0.00 C ATOM 568 C CYS A 38 44.599 18.719 -6.647 1.00 0.00 C ATOM 569 O CYS A 38 45.218 17.886 -7.278 1.00 0.00 O ATOM 570 CB CYS A 38 42.216 18.520 -6.024 1.00 0.00 C ATOM 571 SG CYS A 38 42.524 19.188 -4.374 1.00 0.00 S ATOM 0 H CYS A 38 42.273 17.829 -8.498 1.00 0.00 H new ATOM 0 HA CYS A 38 43.077 20.212 -7.056 1.00 0.00 H new ATOM 0 HB2 CYS A 38 41.187 18.727 -6.317 1.00 0.00 H new ATOM 0 HB3 CYS A 38 42.332 17.436 -6.009 1.00 0.00 H new ATOM 576 N GLY A 39 45.054 19.343 -5.592 1.00 0.00 N ATOM 577 CA GLY A 39 46.411 19.102 -5.028 1.00 0.00 C ATOM 578 C GLY A 39 46.584 19.975 -3.793 1.00 0.00 C ATOM 579 O GLY A 39 45.956 21.014 -3.711 1.00 0.00 O ATOM 0 H GLY A 39 44.514 20.040 -5.079 1.00 0.00 H new ATOM 0 HA2 GLY A 39 46.532 18.050 -4.768 1.00 0.00 H new ATOM 0 HA3 GLY A 39 47.176 19.337 -5.768 1.00 0.00 H new ATOM 583 N CYS A 40 47.413 19.558 -2.861 1.00 0.00 N ATOM 584 CA CYS A 40 47.603 20.396 -1.644 1.00 0.00 C ATOM 585 C CYS A 40 48.046 21.784 -2.054 1.00 0.00 C ATOM 586 O CYS A 40 48.576 21.992 -3.130 1.00 0.00 O ATOM 587 CB CYS A 40 48.668 19.819 -0.718 1.00 0.00 C ATOM 588 SG CYS A 40 48.347 18.228 0.064 1.00 0.00 S ATOM 0 H CYS A 40 47.952 18.693 -2.893 1.00 0.00 H new ATOM 0 HA CYS A 40 46.651 20.422 -1.114 1.00 0.00 H new ATOM 0 HB2 CYS A 40 49.592 19.729 -1.289 1.00 0.00 H new ATOM 0 HB3 CYS A 40 48.852 20.547 0.072 1.00 0.00 H new ATOM 593 N ILE A 41 47.811 22.693 -1.155 1.00 0.00 N ATOM 594 CA ILE A 41 48.190 24.103 -1.439 1.00 0.00 C ATOM 595 C ILE A 41 49.719 24.175 -1.524 1.00 0.00 C ATOM 596 O ILE A 41 50.420 23.316 -1.024 1.00 0.00 O ATOM 597 CB ILE A 41 47.669 25.005 -0.304 1.00 0.00 C ATOM 598 CG1 ILE A 41 46.168 24.666 -0.055 1.00 0.00 C ATOM 599 CG2 ILE A 41 47.735 26.464 -0.814 1.00 0.00 C ATOM 600 CD1 ILE A 41 45.579 25.463 1.117 1.00 0.00 C ATOM 0 H ILE A 41 47.379 22.526 -0.246 1.00 0.00 H new ATOM 0 HA ILE A 41 47.754 24.443 -2.379 1.00 0.00 H new ATOM 0 HB ILE A 41 48.253 24.864 0.606 1.00 0.00 H new ATOM 0 HG12 ILE A 41 45.595 24.876 -0.959 1.00 0.00 H new ATOM 0 HG13 ILE A 41 46.067 23.600 0.146 1.00 0.00 H new ATOM 0 HG21 ILE A 41 47.373 27.138 -0.037 1.00 0.00 H new ATOM 0 HG22 ILE A 41 48.766 26.716 -1.062 1.00 0.00 H new ATOM 0 HG23 ILE A 41 47.112 26.567 -1.703 1.00 0.00 H new ATOM 0 HD11 ILE A 41 44.532 25.192 1.251 1.00 0.00 H new ATOM 0 HD12 ILE A 41 46.133 25.234 2.028 1.00 0.00 H new ATOM 0 HD13 ILE A 41 45.654 26.530 0.906 1.00 0.00 H new ATOM 612 N SER A 42 50.171 25.215 -2.166 1.00 0.00 N ATOM 613 CA SER A 42 51.637 25.435 -2.338 1.00 0.00 C ATOM 614 C SER A 42 52.135 26.044 -1.032 1.00 0.00 C ATOM 615 O SER A 42 52.238 27.244 -0.857 1.00 0.00 O ATOM 616 CB SER A 42 51.865 26.386 -3.531 1.00 0.00 C ATOM 617 OG SER A 42 51.315 25.682 -4.635 1.00 0.00 O ATOM 0 H SER A 42 49.580 25.933 -2.585 1.00 0.00 H new ATOM 0 HA SER A 42 52.177 24.512 -2.549 1.00 0.00 H new ATOM 0 HB2 SER A 42 51.368 27.344 -3.380 1.00 0.00 H new ATOM 0 HB3 SER A 42 52.924 26.596 -3.678 1.00 0.00 H new ATOM 0 HG SER A 42 51.415 26.219 -5.448 1.00 0.00 H new ATOM 623 N GLY A 43 52.424 25.127 -0.152 1.00 0.00 N ATOM 624 CA GLY A 43 52.924 25.446 1.209 1.00 0.00 C ATOM 625 C GLY A 43 52.566 24.261 2.105 1.00 0.00 C ATOM 626 O GLY A 43 53.242 24.014 3.082 1.00 0.00 O ATOM 0 H GLY A 43 52.329 24.128 -0.332 1.00 0.00 H new ATOM 0 HA2 GLY A 43 54.002 25.608 1.196 1.00 0.00 H new ATOM 0 HA3 GLY A 43 52.468 26.363 1.582 1.00 0.00 H new ATOM 630 N THR A 44 51.513 23.565 1.737 1.00 0.00 N ATOM 631 CA THR A 44 51.044 22.377 2.517 1.00 0.00 C ATOM 632 C THR A 44 51.270 21.112 1.709 1.00 0.00 C ATOM 633 O THR A 44 51.060 21.093 0.514 1.00 0.00 O ATOM 634 CB THR A 44 49.534 22.463 2.834 1.00 0.00 C ATOM 635 OG1 THR A 44 48.830 22.531 1.593 1.00 0.00 O ATOM 636 CG2 THR A 44 49.199 23.744 3.562 1.00 0.00 C ATOM 0 H THR A 44 50.950 23.777 0.913 1.00 0.00 H new ATOM 0 HA THR A 44 51.609 22.359 3.449 1.00 0.00 H new ATOM 0 HB THR A 44 49.264 21.600 3.443 1.00 0.00 H new ATOM 0 HG1 THR A 44 47.867 22.585 1.766 1.00 0.00 H new ATOM 0 HG21 THR A 44 48.130 23.775 3.771 1.00 0.00 H new ATOM 0 HG22 THR A 44 49.753 23.785 4.500 1.00 0.00 H new ATOM 0 HG23 THR A 44 49.472 24.597 2.941 1.00 0.00 H new ATOM 644 N VAL A 45 51.690 20.101 2.414 1.00 0.00 N ATOM 645 CA VAL A 45 51.963 18.775 1.797 1.00 0.00 C ATOM 646 C VAL A 45 51.040 17.717 2.396 1.00 0.00 C ATOM 647 O VAL A 45 50.894 17.621 3.599 1.00 0.00 O ATOM 648 CB VAL A 45 53.452 18.362 2.026 1.00 0.00 C ATOM 649 CG1 VAL A 45 54.379 19.257 1.209 1.00 0.00 C ATOM 650 CG2 VAL A 45 53.882 18.493 3.500 1.00 0.00 C ATOM 0 H VAL A 45 51.860 20.140 3.419 1.00 0.00 H new ATOM 0 HA VAL A 45 51.778 18.849 0.725 1.00 0.00 H new ATOM 0 HB VAL A 45 53.526 17.318 1.720 1.00 0.00 H new ATOM 0 HG11 VAL A 45 55.414 18.959 1.377 1.00 0.00 H new ATOM 0 HG12 VAL A 45 54.140 19.158 0.150 1.00 0.00 H new ATOM 0 HG13 VAL A 45 54.246 20.295 1.515 1.00 0.00 H new ATOM 0 HG21 VAL A 45 54.925 18.193 3.603 1.00 0.00 H new ATOM 0 HG22 VAL A 45 53.768 19.528 3.822 1.00 0.00 H new ATOM 0 HG23 VAL A 45 53.257 17.850 4.120 1.00 0.00 H new ATOM 660 N LEU A 46 50.447 16.961 1.507 1.00 0.00 N ATOM 661 CA LEU A 46 49.500 15.866 1.886 1.00 0.00 C ATOM 662 C LEU A 46 50.209 14.952 2.898 1.00 0.00 C ATOM 663 O LEU A 46 51.032 14.149 2.512 1.00 0.00 O ATOM 664 CB LEU A 46 49.121 15.101 0.593 1.00 0.00 C ATOM 665 CG LEU A 46 48.041 14.016 0.833 1.00 0.00 C ATOM 666 CD1 LEU A 46 46.714 14.690 1.241 1.00 0.00 C ATOM 667 CD2 LEU A 46 47.832 13.213 -0.466 1.00 0.00 C ATOM 0 H LEU A 46 50.585 17.061 0.501 1.00 0.00 H new ATOM 0 HA LEU A 46 48.589 16.249 2.346 1.00 0.00 H new ATOM 0 HB2 LEU A 46 48.758 15.811 -0.151 1.00 0.00 H new ATOM 0 HB3 LEU A 46 50.014 14.633 0.178 1.00 0.00 H new ATOM 0 HG LEU A 46 48.365 13.347 1.630 1.00 0.00 H new ATOM 0 HD11 LEU A 46 45.955 13.926 1.410 1.00 0.00 H new ATOM 0 HD12 LEU A 46 46.863 15.262 2.157 1.00 0.00 H new ATOM 0 HD13 LEU A 46 46.386 15.358 0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 46 47.073 12.448 -0.303 1.00 0.00 H new ATOM 0 HD22 LEU A 46 47.506 13.884 -1.260 1.00 0.00 H new ATOM 0 HD23 LEU A 46 48.770 12.738 -0.755 1.00 0.00 H new ATOM 679 N LYS A 47 49.854 15.133 4.148 1.00 0.00 N ATOM 680 CA LYS A 47 50.411 14.361 5.310 1.00 0.00 C ATOM 681 C LYS A 47 51.263 13.124 4.954 1.00 0.00 C ATOM 682 O LYS A 47 52.436 13.076 5.267 1.00 0.00 O ATOM 683 CB LYS A 47 49.214 13.954 6.192 1.00 0.00 C ATOM 684 CG LYS A 47 49.674 13.133 7.414 1.00 0.00 C ATOM 685 CD LYS A 47 48.445 12.743 8.262 1.00 0.00 C ATOM 686 CE LYS A 47 48.895 11.898 9.465 1.00 0.00 C ATOM 687 NZ LYS A 47 49.566 10.650 8.995 1.00 0.00 N ATOM 0 H LYS A 47 49.159 15.826 4.425 1.00 0.00 H new ATOM 0 HA LYS A 47 51.117 15.015 5.822 1.00 0.00 H new ATOM 0 HB2 LYS A 47 48.687 14.847 6.528 1.00 0.00 H new ATOM 0 HB3 LYS A 47 48.507 13.369 5.603 1.00 0.00 H new ATOM 0 HG2 LYS A 47 50.202 12.238 7.086 1.00 0.00 H new ATOM 0 HG3 LYS A 47 50.374 13.715 8.014 1.00 0.00 H new ATOM 0 HD2 LYS A 47 47.929 13.639 8.607 1.00 0.00 H new ATOM 0 HD3 LYS A 47 47.735 12.181 7.655 1.00 0.00 H new ATOM 0 HE2 LYS A 47 49.578 12.474 10.089 1.00 0.00 H new ATOM 0 HE3 LYS A 47 48.034 11.646 10.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 49.577 9.951 9.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 49.047 10.262 8.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 50.543 10.867 8.711 1.00 0.00 H new ATOM 701 N SER A 48 50.635 12.174 4.307 1.00 0.00 N ATOM 702 CA SER A 48 51.337 10.916 3.898 1.00 0.00 C ATOM 703 C SER A 48 51.302 10.737 2.384 1.00 0.00 C ATOM 704 O SER A 48 50.713 11.541 1.686 1.00 0.00 O ATOM 705 CB SER A 48 50.647 9.731 4.595 1.00 0.00 C ATOM 706 OG SER A 48 50.753 10.027 5.981 1.00 0.00 O ATOM 0 H SER A 48 49.651 12.217 4.041 1.00 0.00 H new ATOM 0 HA SER A 48 52.384 10.969 4.195 1.00 0.00 H new ATOM 0 HB2 SER A 48 49.606 9.640 4.286 1.00 0.00 H new ATOM 0 HB3 SER A 48 51.135 8.787 4.352 1.00 0.00 H new ATOM 0 HG SER A 48 50.330 9.312 6.501 1.00 0.00 H new ATOM 712 N LYS A 49 51.942 9.677 1.943 1.00 0.00 N ATOM 713 CA LYS A 49 52.028 9.326 0.487 1.00 0.00 C ATOM 714 C LYS A 49 50.708 9.558 -0.253 1.00 0.00 C ATOM 715 O LYS A 49 50.693 9.868 -1.429 1.00 0.00 O ATOM 716 CB LYS A 49 52.426 7.832 0.309 1.00 0.00 C ATOM 717 CG LYS A 49 51.374 6.791 0.824 1.00 0.00 C ATOM 718 CD LYS A 49 51.098 6.850 2.344 1.00 0.00 C ATOM 719 CE LYS A 49 52.389 6.569 3.145 1.00 0.00 C ATOM 720 NZ LYS A 49 52.098 6.590 4.606 1.00 0.00 N ATOM 0 H LYS A 49 52.425 9.019 2.555 1.00 0.00 H new ATOM 0 HA LYS A 49 52.787 9.983 0.061 1.00 0.00 H new ATOM 0 HB2 LYS A 49 52.609 7.646 -0.749 1.00 0.00 H new ATOM 0 HB3 LYS A 49 53.368 7.660 0.830 1.00 0.00 H new ATOM 0 HG2 LYS A 49 50.436 6.949 0.292 1.00 0.00 H new ATOM 0 HG3 LYS A 49 51.720 5.789 0.570 1.00 0.00 H new ATOM 0 HD2 LYS A 49 50.706 7.832 2.610 1.00 0.00 H new ATOM 0 HD3 LYS A 49 50.334 6.119 2.608 1.00 0.00 H new ATOM 0 HE2 LYS A 49 52.799 5.600 2.862 1.00 0.00 H new ATOM 0 HE3 LYS A 49 53.145 7.317 2.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 52.563 7.413 5.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 51.071 6.654 4.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 52.457 5.718 5.044 1.00 0.00 H new ATOM 734 N ASP A 50 49.646 9.399 0.491 1.00 0.00 N ATOM 735 CA ASP A 50 48.279 9.587 -0.080 1.00 0.00 C ATOM 736 C ASP A 50 47.236 9.712 1.048 1.00 0.00 C ATOM 737 O ASP A 50 46.330 8.908 1.166 1.00 0.00 O ATOM 738 CB ASP A 50 47.968 8.373 -1.008 1.00 0.00 C ATOM 739 CG ASP A 50 46.590 8.549 -1.677 1.00 0.00 C ATOM 740 OD1 ASP A 50 46.477 9.492 -2.445 1.00 0.00 O ATOM 741 OD2 ASP A 50 45.729 7.733 -1.387 1.00 0.00 O ATOM 0 H ASP A 50 49.667 9.145 1.479 1.00 0.00 H new ATOM 0 HA ASP A 50 48.235 10.508 -0.661 1.00 0.00 H new ATOM 0 HB2 ASP A 50 48.741 8.283 -1.771 1.00 0.00 H new ATOM 0 HB3 ASP A 50 47.983 7.450 -0.428 1.00 0.00 H new ATOM 746 N SER A 51 47.398 10.729 1.858 1.00 0.00 N ATOM 747 CA SER A 51 46.446 10.957 2.992 1.00 0.00 C ATOM 748 C SER A 51 45.241 11.763 2.447 1.00 0.00 C ATOM 749 O SER A 51 44.899 11.617 1.289 1.00 0.00 O ATOM 750 CB SER A 51 47.222 11.710 4.082 1.00 0.00 C ATOM 751 OG SER A 51 46.344 11.712 5.196 1.00 0.00 O ATOM 0 H SER A 51 48.150 11.414 1.783 1.00 0.00 H new ATOM 0 HA SER A 51 46.056 10.034 3.421 1.00 0.00 H new ATOM 0 HB2 SER A 51 48.163 11.212 4.317 1.00 0.00 H new ATOM 0 HB3 SER A 51 47.468 12.724 3.767 1.00 0.00 H new ATOM 0 HG SER A 51 46.534 12.490 5.761 1.00 0.00 H new ATOM 757 N SER A 52 44.633 12.581 3.272 1.00 0.00 N ATOM 758 CA SER A 52 43.454 13.405 2.830 1.00 0.00 C ATOM 759 C SER A 52 43.585 14.891 3.195 1.00 0.00 C ATOM 760 O SER A 52 42.960 15.716 2.561 1.00 0.00 O ATOM 761 CB SER A 52 42.186 12.847 3.477 1.00 0.00 C ATOM 762 OG SER A 52 42.114 11.505 3.015 1.00 0.00 O ATOM 0 H SER A 52 44.904 12.717 4.246 1.00 0.00 H new ATOM 0 HA SER A 52 43.409 13.342 1.743 1.00 0.00 H new ATOM 0 HB2 SER A 52 42.243 12.890 4.565 1.00 0.00 H new ATOM 0 HB3 SER A 52 41.305 13.417 3.181 1.00 0.00 H new ATOM 0 HG SER A 52 41.319 11.072 3.391 1.00 0.00 H new ATOM 768 N GLU A 53 44.379 15.190 4.193 1.00 0.00 N ATOM 769 CA GLU A 53 44.587 16.612 4.636 1.00 0.00 C ATOM 770 C GLU A 53 46.063 16.939 4.435 1.00 0.00 C ATOM 771 O GLU A 53 46.919 16.077 4.502 1.00 0.00 O ATOM 772 CB GLU A 53 44.201 16.782 6.141 1.00 0.00 C ATOM 773 CG GLU A 53 45.102 15.997 7.127 1.00 0.00 C ATOM 774 CD GLU A 53 45.097 14.495 6.816 1.00 0.00 C ATOM 775 OE1 GLU A 53 44.043 13.892 6.937 1.00 0.00 O ATOM 776 OE2 GLU A 53 46.169 14.037 6.466 1.00 0.00 O ATOM 0 H GLU A 53 44.903 14.500 4.731 1.00 0.00 H new ATOM 0 HA GLU A 53 43.957 17.286 4.055 1.00 0.00 H new ATOM 0 HB2 GLU A 53 44.241 17.841 6.396 1.00 0.00 H new ATOM 0 HB3 GLU A 53 43.168 16.460 6.277 1.00 0.00 H new ATOM 0 HG2 GLU A 53 46.122 16.378 7.072 1.00 0.00 H new ATOM 0 HG3 GLU A 53 44.755 16.160 8.147 1.00 0.00 H new ATOM 783 N CYS A 54 46.298 18.199 4.193 1.00 0.00 N ATOM 784 CA CYS A 54 47.677 18.707 3.962 1.00 0.00 C ATOM 785 C CYS A 54 48.147 19.519 5.167 1.00 0.00 C ATOM 786 O CYS A 54 47.360 20.117 5.876 1.00 0.00 O ATOM 787 CB CYS A 54 47.622 19.550 2.721 1.00 0.00 C ATOM 788 SG CYS A 54 46.840 18.782 1.283 1.00 0.00 S ATOM 0 H CYS A 54 45.572 18.914 4.145 1.00 0.00 H new ATOM 0 HA CYS A 54 48.389 17.891 3.834 1.00 0.00 H new ATOM 0 HB2 CYS A 54 47.087 20.471 2.953 1.00 0.00 H new ATOM 0 HB3 CYS A 54 48.640 19.832 2.450 1.00 0.00 H new ATOM 793 N VAL A 55 49.438 19.497 5.338 1.00 0.00 N ATOM 794 CA VAL A 55 50.117 20.218 6.452 1.00 0.00 C ATOM 795 C VAL A 55 51.476 20.719 5.978 1.00 0.00 C ATOM 796 O VAL A 55 52.174 20.000 5.296 1.00 0.00 O ATOM 797 CB VAL A 55 50.309 19.260 7.655 1.00 0.00 C ATOM 798 CG1 VAL A 55 48.945 18.905 8.294 1.00 0.00 C ATOM 799 CG2 VAL A 55 50.944 17.920 7.193 1.00 0.00 C ATOM 0 H VAL A 55 50.076 18.988 4.726 1.00 0.00 H new ATOM 0 HA VAL A 55 49.504 21.064 6.761 1.00 0.00 H new ATOM 0 HB VAL A 55 50.954 19.772 8.369 1.00 0.00 H new ATOM 0 HG11 VAL A 55 49.102 18.232 9.137 1.00 0.00 H new ATOM 0 HG12 VAL A 55 48.459 19.816 8.643 1.00 0.00 H new ATOM 0 HG13 VAL A 55 48.312 18.417 7.553 1.00 0.00 H new ATOM 0 HG21 VAL A 55 51.070 17.262 8.053 1.00 0.00 H new ATOM 0 HG22 VAL A 55 50.292 17.441 6.462 1.00 0.00 H new ATOM 0 HG23 VAL A 55 51.916 18.115 6.740 1.00 0.00 H new ATOM 809 N HIS A 56 51.820 21.925 6.349 1.00 0.00 N ATOM 810 CA HIS A 56 53.135 22.504 5.933 1.00 0.00 C ATOM 811 C HIS A 56 54.324 21.612 6.347 1.00 0.00 C ATOM 812 O HIS A 56 54.199 20.825 7.264 1.00 0.00 O ATOM 813 CB HIS A 56 53.292 23.896 6.572 1.00 0.00 C ATOM 814 CG HIS A 56 52.186 24.833 6.074 1.00 0.00 C ATOM 815 ND1 HIS A 56 52.296 25.642 5.072 1.00 0.00 N ATOM 816 CD2 HIS A 56 50.896 25.037 6.534 1.00 0.00 C ATOM 817 CE1 HIS A 56 51.189 26.293 4.911 1.00 0.00 C ATOM 818 NE2 HIS A 56 50.290 25.948 5.799 1.00 0.00 N ATOM 0 H HIS A 56 51.244 22.538 6.926 1.00 0.00 H new ATOM 0 HA HIS A 56 53.142 22.573 4.845 1.00 0.00 H new ATOM 0 HB2 HIS A 56 53.247 23.813 7.658 1.00 0.00 H new ATOM 0 HB3 HIS A 56 54.269 24.310 6.324 1.00 0.00 H new ATOM 0 HD1 HIS A 56 53.130 25.751 4.495 1.00 0.00 H new ATOM 0 HD2 HIS A 56 50.451 24.524 7.374 1.00 0.00 H new ATOM 0 HE1 HIS A 56 51.026 27.030 4.139 1.00 0.00 H new ATOM 826 N PRO A 57 55.439 21.757 5.662 1.00 0.00 N ATOM 827 CA PRO A 57 56.690 21.047 6.011 1.00 0.00 C ATOM 828 C PRO A 57 57.103 21.305 7.469 1.00 0.00 C ATOM 829 O PRO A 57 57.643 20.433 8.121 1.00 0.00 O ATOM 830 CB PRO A 57 57.732 21.651 5.037 1.00 0.00 C ATOM 831 CG PRO A 57 57.107 22.893 4.515 1.00 0.00 C ATOM 832 CD PRO A 57 55.646 22.611 4.474 1.00 0.00 C ATOM 0 HA PRO A 57 56.590 19.965 5.924 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.670 21.868 5.549 1.00 0.00 H new ATOM 0 HB3 PRO A 57 57.963 20.957 4.229 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.325 23.744 5.160 1.00 0.00 H new ATOM 0 HG3 PRO A 57 57.488 23.138 3.524 1.00 0.00 H new ATOM 0 HD2 PRO A 57 55.057 23.526 4.527 1.00 0.00 H new ATOM 0 HD3 PRO A 57 55.359 22.100 3.555 1.00 0.00 H new ATOM 840 N SER A 58 56.818 22.506 7.904 1.00 0.00 N ATOM 841 CA SER A 58 57.145 22.944 9.297 1.00 0.00 C ATOM 842 C SER A 58 56.276 22.240 10.353 1.00 0.00 C ATOM 843 O SER A 58 56.645 22.179 11.509 1.00 0.00 O ATOM 844 CB SER A 58 56.940 24.468 9.378 1.00 0.00 C ATOM 845 OG SER A 58 55.570 24.669 9.048 1.00 0.00 O ATOM 0 H SER A 58 56.360 23.220 7.337 1.00 0.00 H new ATOM 0 HA SER A 58 58.179 22.674 9.513 1.00 0.00 H new ATOM 0 HB2 SER A 58 57.166 24.845 10.375 1.00 0.00 H new ATOM 0 HB3 SER A 58 57.595 24.993 8.683 1.00 0.00 H new ATOM 0 HG SER A 58 55.363 25.626 9.081 1.00 0.00 H new ATOM 851 N LYS A 59 55.151 21.732 9.918 1.00 0.00 N ATOM 852 CA LYS A 59 54.211 21.021 10.841 1.00 0.00 C ATOM 853 C LYS A 59 54.584 19.552 10.868 1.00 0.00 C ATOM 854 O LYS A 59 54.775 18.969 11.917 1.00 0.00 O ATOM 855 CB LYS A 59 52.781 21.097 10.348 1.00 0.00 C ATOM 856 CG LYS A 59 52.320 22.536 10.189 1.00 0.00 C ATOM 857 CD LYS A 59 50.907 22.513 9.587 1.00 0.00 C ATOM 858 CE LYS A 59 49.867 21.916 10.553 1.00 0.00 C ATOM 859 NZ LYS A 59 48.520 21.964 9.918 1.00 0.00 N ATOM 0 H LYS A 59 54.838 21.780 8.948 1.00 0.00 H new ATOM 0 HA LYS A 59 54.285 21.492 11.821 1.00 0.00 H new ATOM 0 HB2 LYS A 59 52.697 20.580 9.392 1.00 0.00 H new ATOM 0 HB3 LYS A 59 52.126 20.580 11.049 1.00 0.00 H new ATOM 0 HG2 LYS A 59 52.316 23.045 11.153 1.00 0.00 H new ATOM 0 HG3 LYS A 59 53.002 23.086 9.541 1.00 0.00 H new ATOM 0 HD2 LYS A 59 50.612 23.528 9.321 1.00 0.00 H new ATOM 0 HD3 LYS A 59 50.917 21.932 8.665 1.00 0.00 H new ATOM 0 HE2 LYS A 59 50.130 20.887 10.798 1.00 0.00 H new ATOM 0 HE3 LYS A 59 49.860 22.475 11.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 47.932 21.193 10.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 48.069 22.877 10.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 48.618 21.855 8.888 1.00 0.00 H new ATOM 873 N CYS A 60 54.662 19.030 9.668 1.00 0.00 N ATOM 874 CA CYS A 60 55.007 17.603 9.449 1.00 0.00 C ATOM 875 C CYS A 60 56.036 17.040 10.455 1.00 0.00 C ATOM 876 O CYS A 60 55.720 16.017 11.039 1.00 0.00 O ATOM 877 CB CYS A 60 55.562 17.427 8.025 1.00 0.00 C ATOM 878 SG CYS A 60 54.492 17.549 6.573 1.00 0.00 S ATOM 879 OXT CYS A 60 57.075 17.668 10.581 1.00 0.00 O ATOM 0 H CYS A 60 54.494 19.556 8.810 1.00 0.00 H new ATOM 0 HA CYS A 60 54.084 17.042 9.597 1.00 0.00 H new ATOM 0 HB2 CYS A 60 56.352 18.167 7.899 1.00 0.00 H new ATOM 0 HB3 CYS A 60 56.035 16.446 7.988 1.00 0.00 H new