USER MOD reduce.3.24.130724 H: found=0, std=0, add=421, rem=0, adj=19 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 56 HIS : no HD1:sc= -0.804 K(o=-0.85,f=-2.2) USER MOD Set 1.2: A 59 LYS NZ :NH3+ -147:sc= -0.0467 (180deg=-0.444) USER MOD Set 2.1: A 33 LYS NZ :NH3+ -159:sc=-0.00883 (180deg=-0.498) USER MOD Set 2.2: A 35 ASN : amide:sc= -1.74 K(o=-1.8,f=-2.9) USER MOD Single : A 8 GLN : amide:sc= 0.291 X(o=0.29,f=-0.0057) USER MOD Single : A 9 THR OG1 : rot -112:sc= 0.228 USER MOD Single : A 11 GLN :FLIP amide:sc= -1.33 F(o=-2.1,f=-1.3) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0.0149 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 175:sc= -1.44 (180deg=-1.59) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.157 USER MOD Single : A 23 THR OG1 : rot -149:sc= -0.391 USER MOD Single : A 25 ASN : amide:sc= -0.444 X(o=-0.44,f=-0.2) USER MOD Single : A 26 LYS NZ :NH3+ 176:sc= -1.42 (180deg=-1.49!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -14:sc= 0.081 USER MOD Single : A 47 LYS NZ :NH3+ -144:sc= -6.31! (180deg=-9.99!) USER MOD Single : A 48 SER OG : rot 180:sc= -0.0467 USER MOD Single : A 49 LYS NZ :NH3+ -167:sc= -0.0328 (180deg=-0.263) USER MOD Single : A 51 SER OG : rot 140:sc= 0.499 USER MOD Single : A 52 SER OG : rot 180:sc=-0.00649 USER MOD Single : A 58 SER OG : rot 130:sc= -0.967 USER MOD ----------------------------------------------------------------- ATOM 37 N VAL A 3 37.295 17.920 -7.159 1.00 0.00 N ATOM 38 CA VAL A 3 36.865 18.171 -5.761 1.00 0.00 C ATOM 39 C VAL A 3 37.795 17.445 -4.776 1.00 0.00 C ATOM 40 O VAL A 3 38.211 16.328 -5.015 1.00 0.00 O ATOM 41 CB VAL A 3 35.393 17.690 -5.669 1.00 0.00 C ATOM 42 CG1 VAL A 3 35.269 16.195 -6.077 1.00 0.00 C ATOM 43 CG2 VAL A 3 34.861 17.888 -4.243 1.00 0.00 C ATOM 0 HA VAL A 3 36.925 19.226 -5.493 1.00 0.00 H new ATOM 0 HB VAL A 3 34.798 18.286 -6.361 1.00 0.00 H new ATOM 0 HG11 VAL A 3 34.227 15.883 -6.004 1.00 0.00 H new ATOM 0 HG12 VAL A 3 35.615 16.068 -7.103 1.00 0.00 H new ATOM 0 HG13 VAL A 3 35.878 15.584 -5.411 1.00 0.00 H new ATOM 0 HG21 VAL A 3 33.827 17.547 -4.190 1.00 0.00 H new ATOM 0 HG22 VAL A 3 35.469 17.313 -3.545 1.00 0.00 H new ATOM 0 HG23 VAL A 3 34.909 18.945 -3.980 1.00 0.00 H new ATOM 53 N CYS A 4 38.083 18.127 -3.697 1.00 0.00 N ATOM 54 CA CYS A 4 38.976 17.577 -2.630 1.00 0.00 C ATOM 55 C CYS A 4 38.827 18.201 -1.232 1.00 0.00 C ATOM 56 O CYS A 4 38.218 19.243 -1.088 1.00 0.00 O ATOM 57 CB CYS A 4 40.439 17.714 -3.112 1.00 0.00 C ATOM 58 SG CYS A 4 41.026 16.349 -4.142 1.00 0.00 S ATOM 0 H CYS A 4 37.728 19.064 -3.506 1.00 0.00 H new ATOM 0 HA CYS A 4 38.672 16.540 -2.490 1.00 0.00 H new ATOM 0 HB2 CYS A 4 40.537 18.643 -3.674 1.00 0.00 H new ATOM 0 HB3 CYS A 4 41.088 17.799 -2.240 1.00 0.00 H new ATOM 63 N PRO A 5 39.396 17.537 -0.241 1.00 0.00 N ATOM 64 CA PRO A 5 39.191 17.906 1.176 1.00 0.00 C ATOM 65 C PRO A 5 39.885 19.232 1.538 1.00 0.00 C ATOM 66 O PRO A 5 40.570 19.767 0.694 1.00 0.00 O ATOM 67 CB PRO A 5 39.798 16.729 1.976 1.00 0.00 C ATOM 68 CG PRO A 5 40.297 15.727 0.988 1.00 0.00 C ATOM 69 CD PRO A 5 40.304 16.371 -0.366 1.00 0.00 C ATOM 0 HA PRO A 5 38.136 18.066 1.398 1.00 0.00 H new ATOM 0 HB2 PRO A 5 40.611 17.077 2.613 1.00 0.00 H new ATOM 0 HB3 PRO A 5 39.049 16.283 2.630 1.00 0.00 H new ATOM 0 HG2 PRO A 5 41.300 15.395 1.256 1.00 0.00 H new ATOM 0 HG3 PRO A 5 39.658 14.844 0.986 1.00 0.00 H new ATOM 0 HD2 PRO A 5 41.309 16.682 -0.650 1.00 0.00 H new ATOM 0 HD3 PRO A 5 39.956 15.680 -1.134 1.00 0.00 H new ATOM 77 N PRO A 6 39.705 19.728 2.743 1.00 0.00 N ATOM 78 CA PRO A 6 40.327 20.982 3.230 1.00 0.00 C ATOM 79 C PRO A 6 41.791 21.188 2.799 1.00 0.00 C ATOM 80 O PRO A 6 42.108 22.178 2.166 1.00 0.00 O ATOM 81 CB PRO A 6 40.239 20.832 4.774 1.00 0.00 C ATOM 82 CG PRO A 6 39.727 19.446 5.005 1.00 0.00 C ATOM 83 CD PRO A 6 38.878 19.162 3.823 1.00 0.00 C ATOM 0 HA PRO A 6 39.817 21.852 2.816 1.00 0.00 H new ATOM 0 HB2 PRO A 6 41.214 20.974 5.240 1.00 0.00 H new ATOM 0 HB3 PRO A 6 39.569 21.576 5.204 1.00 0.00 H new ATOM 0 HG2 PRO A 6 40.544 18.730 5.088 1.00 0.00 H new ATOM 0 HG3 PRO A 6 39.153 19.384 5.930 1.00 0.00 H new ATOM 0 HD2 PRO A 6 38.699 18.095 3.690 1.00 0.00 H new ATOM 0 HD3 PRO A 6 37.902 19.643 3.891 1.00 0.00 H new ATOM 91 N GLY A 7 42.613 20.238 3.161 1.00 0.00 N ATOM 92 CA GLY A 7 44.071 20.287 2.825 1.00 0.00 C ATOM 93 C GLY A 7 44.430 20.311 1.335 1.00 0.00 C ATOM 94 O GLY A 7 45.590 20.457 1.006 1.00 0.00 O ATOM 0 H GLY A 7 42.330 19.411 3.687 1.00 0.00 H new ATOM 0 HA2 GLY A 7 44.499 21.173 3.293 1.00 0.00 H new ATOM 0 HA3 GLY A 7 44.555 19.422 3.278 1.00 0.00 H new ATOM 98 N GLN A 8 43.455 20.172 0.475 1.00 0.00 N ATOM 99 CA GLN A 8 43.724 20.182 -0.999 1.00 0.00 C ATOM 100 C GLN A 8 42.625 20.946 -1.735 1.00 0.00 C ATOM 101 O GLN A 8 41.479 20.966 -1.331 1.00 0.00 O ATOM 102 CB GLN A 8 43.770 18.727 -1.509 1.00 0.00 C ATOM 103 CG GLN A 8 44.882 17.933 -0.808 1.00 0.00 C ATOM 104 CD GLN A 8 44.840 16.470 -1.253 1.00 0.00 C ATOM 105 OE1 GLN A 8 45.340 16.104 -2.298 1.00 0.00 O ATOM 106 NE2 GLN A 8 44.245 15.607 -0.474 1.00 0.00 N ATOM 0 H GLN A 8 42.475 20.051 0.730 1.00 0.00 H new ATOM 0 HA GLN A 8 44.678 20.675 -1.187 1.00 0.00 H new ATOM 0 HB2 GLN A 8 42.808 18.246 -1.333 1.00 0.00 H new ATOM 0 HB3 GLN A 8 43.937 18.721 -2.586 1.00 0.00 H new ATOM 0 HG2 GLN A 8 45.854 18.366 -1.045 1.00 0.00 H new ATOM 0 HG3 GLN A 8 44.759 17.997 0.273 1.00 0.00 H new ATOM 0 HE21 GLN A 8 43.826 15.916 0.403 1.00 0.00 H new ATOM 0 HE22 GLN A 8 44.200 14.624 -0.743 1.00 0.00 H new ATOM 115 N THR A 9 43.023 21.559 -2.814 1.00 0.00 N ATOM 116 CA THR A 9 42.068 22.346 -3.645 1.00 0.00 C ATOM 117 C THR A 9 42.591 22.294 -5.083 1.00 0.00 C ATOM 118 O THR A 9 43.454 21.493 -5.394 1.00 0.00 O ATOM 119 CB THR A 9 42.033 23.793 -3.058 1.00 0.00 C ATOM 120 OG1 THR A 9 41.092 24.533 -3.823 1.00 0.00 O ATOM 121 CG2 THR A 9 43.376 24.535 -3.241 1.00 0.00 C ATOM 0 H THR A 9 43.982 21.548 -3.161 1.00 0.00 H new ATOM 0 HA THR A 9 41.049 21.959 -3.639 1.00 0.00 H new ATOM 0 HB THR A 9 41.797 23.716 -1.997 1.00 0.00 H new ATOM 0 HG1 THR A 9 41.560 25.218 -4.344 1.00 0.00 H new ATOM 0 HG21 THR A 9 43.299 25.536 -2.816 1.00 0.00 H new ATOM 0 HG22 THR A 9 44.168 23.985 -2.733 1.00 0.00 H new ATOM 0 HG23 THR A 9 43.609 24.608 -4.303 1.00 0.00 H new ATOM 129 N PHE A 10 42.050 23.144 -5.915 1.00 0.00 N ATOM 130 CA PHE A 10 42.484 23.191 -7.342 1.00 0.00 C ATOM 131 C PHE A 10 44.010 23.350 -7.410 1.00 0.00 C ATOM 132 O PHE A 10 44.623 23.965 -6.560 1.00 0.00 O ATOM 133 CB PHE A 10 41.800 24.379 -8.045 1.00 0.00 C ATOM 134 CG PHE A 10 42.311 24.463 -9.496 1.00 0.00 C ATOM 135 CD1 PHE A 10 41.921 23.532 -10.444 1.00 0.00 C ATOM 136 CD2 PHE A 10 43.179 25.474 -9.866 1.00 0.00 C ATOM 137 CE1 PHE A 10 42.392 23.614 -11.737 1.00 0.00 C ATOM 138 CE2 PHE A 10 43.650 25.556 -11.158 1.00 0.00 C ATOM 139 CZ PHE A 10 43.257 24.627 -12.095 1.00 0.00 C ATOM 0 H PHE A 10 41.321 23.812 -5.665 1.00 0.00 H new ATOM 0 HA PHE A 10 42.200 22.265 -7.842 1.00 0.00 H new ATOM 0 HB2 PHE A 10 40.718 24.251 -8.034 1.00 0.00 H new ATOM 0 HB3 PHE A 10 42.017 25.306 -7.515 1.00 0.00 H new ATOM 0 HD1 PHE A 10 41.244 22.737 -10.169 1.00 0.00 H new ATOM 0 HD2 PHE A 10 43.490 26.206 -9.135 1.00 0.00 H new ATOM 0 HE1 PHE A 10 42.083 22.884 -12.471 1.00 0.00 H new ATOM 0 HE2 PHE A 10 44.328 26.349 -11.436 1.00 0.00 H new ATOM 0 HZ PHE A 10 43.625 24.691 -13.108 1.00 0.00 H new ATOM 149 N GLN A 11 44.554 22.775 -8.444 1.00 0.00 N ATOM 150 CA GLN A 11 46.022 22.821 -8.675 1.00 0.00 C ATOM 151 C GLN A 11 46.123 22.941 -10.194 1.00 0.00 C ATOM 152 O GLN A 11 45.600 22.091 -10.889 1.00 0.00 O ATOM 153 CB GLN A 11 46.646 21.497 -8.168 1.00 0.00 C ATOM 154 CG GLN A 11 48.180 21.573 -8.130 1.00 0.00 C ATOM 155 CD GLN A 11 48.609 22.603 -7.074 1.00 0.00 C ATOM 156 OE1 GLN A 11 47.998 22.617 -5.918 1.00 0.00 O flip ATOM 157 NE2 GLN A 11 49.501 23.398 -7.291 1.00 0.00 N flip ATOM 0 H GLN A 11 44.030 22.264 -9.154 1.00 0.00 H new ATOM 0 HA GLN A 11 46.542 23.630 -8.162 1.00 0.00 H new ATOM 0 HB2 GLN A 11 46.267 21.274 -7.170 1.00 0.00 H new ATOM 0 HB3 GLN A 11 46.338 20.677 -8.817 1.00 0.00 H new ATOM 0 HG2 GLN A 11 48.599 20.595 -7.892 1.00 0.00 H new ATOM 0 HG3 GLN A 11 48.566 21.856 -9.109 1.00 0.00 H new ATOM 0 HE21 GLN A 11 49.982 23.392 -8.191 1.00 0.00 H new ATOM 0 HE22 GLN A 11 49.770 24.071 -6.574 1.00 0.00 H new ATOM 166 N THR A 12 46.779 23.966 -10.678 1.00 0.00 N ATOM 167 CA THR A 12 46.899 24.117 -12.161 1.00 0.00 C ATOM 168 C THR A 12 47.993 23.159 -12.646 1.00 0.00 C ATOM 169 O THR A 12 47.875 22.599 -13.719 1.00 0.00 O ATOM 170 CB THR A 12 47.248 25.595 -12.485 1.00 0.00 C ATOM 171 OG1 THR A 12 47.318 25.642 -13.904 1.00 0.00 O ATOM 172 CG2 THR A 12 48.653 26.004 -12.019 1.00 0.00 C ATOM 0 H THR A 12 47.229 24.693 -10.122 1.00 0.00 H new ATOM 0 HA THR A 12 45.966 23.871 -12.668 1.00 0.00 H new ATOM 0 HB THR A 12 46.515 26.242 -12.003 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.535 26.554 -14.191 1.00 0.00 H new ATOM 0 HG21 THR A 12 48.832 27.048 -12.276 1.00 0.00 H new ATOM 0 HG22 THR A 12 48.729 25.878 -10.939 1.00 0.00 H new ATOM 0 HG23 THR A 12 49.396 25.376 -12.510 1.00 0.00 H new ATOM 180 N CYS A 13 49.014 23.007 -11.835 1.00 0.00 N ATOM 181 CA CYS A 13 50.135 22.095 -12.194 1.00 0.00 C ATOM 182 C CYS A 13 50.298 20.910 -11.245 1.00 0.00 C ATOM 183 O CYS A 13 50.783 21.020 -10.135 1.00 0.00 O ATOM 184 CB CYS A 13 51.471 22.879 -12.259 1.00 0.00 C ATOM 185 SG CYS A 13 51.692 23.904 -13.732 1.00 0.00 S ATOM 0 H CYS A 13 49.115 23.480 -10.937 1.00 0.00 H new ATOM 0 HA CYS A 13 49.878 21.687 -13.172 1.00 0.00 H new ATOM 0 HB2 CYS A 13 51.542 23.517 -11.378 1.00 0.00 H new ATOM 0 HB3 CYS A 13 52.295 22.167 -12.205 1.00 0.00 H new ATOM 190 N ALA A 14 49.855 19.800 -11.773 1.00 0.00 N ATOM 191 CA ALA A 14 49.895 18.488 -11.070 1.00 0.00 C ATOM 192 C ALA A 14 50.258 17.385 -12.077 1.00 0.00 C ATOM 193 O ALA A 14 50.611 17.660 -13.205 1.00 0.00 O ATOM 194 CB ALA A 14 48.509 18.240 -10.451 1.00 0.00 C ATOM 0 H ALA A 14 49.449 19.751 -12.707 1.00 0.00 H new ATOM 0 HA ALA A 14 50.648 18.486 -10.282 1.00 0.00 H new ATOM 0 HB1 ALA A 14 48.510 17.283 -9.929 1.00 0.00 H new ATOM 0 HB2 ALA A 14 48.277 19.038 -9.746 1.00 0.00 H new ATOM 0 HB3 ALA A 14 47.756 18.222 -11.239 1.00 0.00 H new ATOM 200 N SER A 15 50.168 16.156 -11.648 1.00 0.00 N ATOM 201 CA SER A 15 50.499 15.014 -12.549 1.00 0.00 C ATOM 202 C SER A 15 49.851 13.782 -11.917 1.00 0.00 C ATOM 203 O SER A 15 48.683 13.814 -11.581 1.00 0.00 O ATOM 204 CB SER A 15 52.033 14.880 -12.627 1.00 0.00 C ATOM 205 OG SER A 15 52.267 13.908 -13.637 1.00 0.00 O ATOM 0 H SER A 15 49.878 15.892 -10.707 1.00 0.00 H new ATOM 0 HA SER A 15 50.132 15.148 -13.566 1.00 0.00 H new ATOM 0 HB2 SER A 15 52.500 15.832 -12.880 1.00 0.00 H new ATOM 0 HB3 SER A 15 52.451 14.564 -11.671 1.00 0.00 H new ATOM 0 HG SER A 15 53.232 13.772 -13.743 1.00 0.00 H new ATOM 211 N SER A 16 50.626 12.741 -11.778 1.00 0.00 N ATOM 212 CA SER A 16 50.136 11.480 -11.177 1.00 0.00 C ATOM 213 C SER A 16 51.066 11.133 -10.002 1.00 0.00 C ATOM 214 O SER A 16 51.028 10.015 -9.524 1.00 0.00 O ATOM 215 CB SER A 16 50.170 10.380 -12.253 1.00 0.00 C ATOM 216 OG SER A 16 49.304 10.865 -13.270 1.00 0.00 O ATOM 0 H SER A 16 51.604 12.718 -12.066 1.00 0.00 H new ATOM 0 HA SER A 16 49.113 11.574 -10.813 1.00 0.00 H new ATOM 0 HB2 SER A 16 51.180 10.223 -12.631 1.00 0.00 H new ATOM 0 HB3 SER A 16 49.825 9.425 -11.858 1.00 0.00 H new ATOM 0 HG SER A 16 49.268 10.218 -14.005 1.00 0.00 H new ATOM 222 N CYS A 17 51.871 12.089 -9.570 1.00 0.00 N ATOM 223 CA CYS A 17 52.804 11.798 -8.420 1.00 0.00 C ATOM 224 C CYS A 17 52.597 12.799 -7.254 1.00 0.00 C ATOM 225 O CYS A 17 53.295 13.789 -7.169 1.00 0.00 O ATOM 226 CB CYS A 17 54.295 11.876 -8.898 1.00 0.00 C ATOM 227 SG CYS A 17 55.197 13.438 -9.112 1.00 0.00 S ATOM 0 H CYS A 17 51.923 13.033 -9.952 1.00 0.00 H new ATOM 0 HA CYS A 17 52.578 10.793 -8.064 1.00 0.00 H new ATOM 0 HB2 CYS A 17 54.875 11.280 -8.193 1.00 0.00 H new ATOM 0 HB3 CYS A 17 54.337 11.363 -9.859 1.00 0.00 H new ATOM 232 N PRO A 18 51.649 12.528 -6.381 1.00 0.00 N ATOM 233 CA PRO A 18 51.381 13.390 -5.207 1.00 0.00 C ATOM 234 C PRO A 18 52.527 13.416 -4.182 1.00 0.00 C ATOM 235 O PRO A 18 53.079 12.378 -3.871 1.00 0.00 O ATOM 236 CB PRO A 18 50.118 12.768 -4.567 1.00 0.00 C ATOM 237 CG PRO A 18 49.548 11.882 -5.615 1.00 0.00 C ATOM 238 CD PRO A 18 50.721 11.382 -6.398 1.00 0.00 C ATOM 0 HA PRO A 18 51.263 14.429 -5.516 1.00 0.00 H new ATOM 0 HB2 PRO A 18 50.368 12.205 -3.668 1.00 0.00 H new ATOM 0 HB3 PRO A 18 49.406 13.538 -4.272 1.00 0.00 H new ATOM 0 HG2 PRO A 18 48.992 11.056 -5.171 1.00 0.00 H new ATOM 0 HG3 PRO A 18 48.853 12.427 -6.254 1.00 0.00 H new ATOM 0 HD2 PRO A 18 51.164 10.498 -5.940 1.00 0.00 H new ATOM 0 HD3 PRO A 18 50.439 11.107 -7.414 1.00 0.00 H new ATOM 246 N LYS A 19 52.835 14.598 -3.704 1.00 0.00 N ATOM 247 CA LYS A 19 53.922 14.772 -2.700 1.00 0.00 C ATOM 248 C LYS A 19 53.357 14.811 -1.284 1.00 0.00 C ATOM 249 O LYS A 19 52.187 15.046 -1.039 1.00 0.00 O ATOM 250 CB LYS A 19 54.711 16.074 -3.036 1.00 0.00 C ATOM 251 CG LYS A 19 53.846 17.313 -3.319 1.00 0.00 C ATOM 252 CD LYS A 19 52.885 17.684 -2.192 1.00 0.00 C ATOM 253 CE LYS A 19 52.212 19.023 -2.505 1.00 0.00 C ATOM 254 NZ LYS A 19 53.220 20.113 -2.624 1.00 0.00 N ATOM 0 H LYS A 19 52.367 15.463 -3.975 1.00 0.00 H new ATOM 0 HA LYS A 19 54.602 13.921 -2.745 1.00 0.00 H new ATOM 0 HB2 LYS A 19 55.378 16.300 -2.204 1.00 0.00 H new ATOM 0 HB3 LYS A 19 55.339 15.884 -3.906 1.00 0.00 H new ATOM 0 HG2 LYS A 19 54.502 18.161 -3.515 1.00 0.00 H new ATOM 0 HG3 LYS A 19 53.270 17.139 -4.228 1.00 0.00 H new ATOM 0 HD2 LYS A 19 52.131 16.906 -2.074 1.00 0.00 H new ATOM 0 HD3 LYS A 19 53.425 17.750 -1.248 1.00 0.00 H new ATOM 0 HE2 LYS A 19 51.648 18.942 -3.434 1.00 0.00 H new ATOM 0 HE3 LYS A 19 51.498 19.268 -1.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 52.748 20.991 -2.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 53.682 20.261 -1.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 53.935 19.849 -3.332 1.00 0.00 H new ATOM 268 N THR A 20 54.264 14.563 -0.388 1.00 0.00 N ATOM 269 CA THR A 20 53.934 14.538 1.063 1.00 0.00 C ATOM 270 C THR A 20 55.088 15.092 1.902 1.00 0.00 C ATOM 271 O THR A 20 56.060 15.600 1.375 1.00 0.00 O ATOM 272 CB THR A 20 53.658 13.084 1.465 1.00 0.00 C ATOM 273 OG1 THR A 20 54.878 12.393 1.232 1.00 0.00 O ATOM 274 CG2 THR A 20 52.676 12.374 0.505 1.00 0.00 C ATOM 0 H THR A 20 55.243 14.372 -0.603 1.00 0.00 H new ATOM 0 HA THR A 20 53.060 15.163 1.244 1.00 0.00 H new ATOM 0 HB THR A 20 53.266 13.081 2.482 1.00 0.00 H new ATOM 0 HG1 THR A 20 54.770 11.449 1.472 1.00 0.00 H new ATOM 0 HG21 THR A 20 52.518 11.348 0.839 1.00 0.00 H new ATOM 0 HG22 THR A 20 51.724 12.905 0.501 1.00 0.00 H new ATOM 0 HG23 THR A 20 53.093 12.368 -0.502 1.00 0.00 H new ATOM 282 N CYS A 21 54.922 14.967 3.197 1.00 0.00 N ATOM 283 CA CYS A 21 55.961 15.448 4.154 1.00 0.00 C ATOM 284 C CYS A 21 57.249 14.657 3.870 1.00 0.00 C ATOM 285 O CYS A 21 58.343 15.096 4.166 1.00 0.00 O ATOM 286 CB CYS A 21 55.466 15.197 5.576 1.00 0.00 C ATOM 287 SG CYS A 21 53.965 16.061 6.110 1.00 0.00 S ATOM 0 H CYS A 21 54.101 14.547 3.633 1.00 0.00 H new ATOM 0 HA CYS A 21 56.156 16.514 4.042 1.00 0.00 H new ATOM 0 HB2 CYS A 21 55.294 14.126 5.687 1.00 0.00 H new ATOM 0 HB3 CYS A 21 56.269 15.464 6.263 1.00 0.00 H new ATOM 292 N GLU A 22 57.066 13.492 3.298 1.00 0.00 N ATOM 293 CA GLU A 22 58.230 12.625 2.953 1.00 0.00 C ATOM 294 C GLU A 22 59.059 13.355 1.872 1.00 0.00 C ATOM 295 O GLU A 22 60.251 13.526 2.034 1.00 0.00 O ATOM 296 CB GLU A 22 57.714 11.281 2.415 1.00 0.00 C ATOM 297 CG GLU A 22 58.908 10.363 2.072 1.00 0.00 C ATOM 298 CD GLU A 22 58.386 9.026 1.522 1.00 0.00 C ATOM 299 OE1 GLU A 22 57.959 9.043 0.377 1.00 0.00 O ATOM 300 OE2 GLU A 22 58.442 8.064 2.271 1.00 0.00 O ATOM 0 H GLU A 22 56.154 13.104 3.055 1.00 0.00 H new ATOM 0 HA GLU A 22 58.850 12.433 3.829 1.00 0.00 H new ATOM 0 HB2 GLU A 22 57.076 10.802 3.158 1.00 0.00 H new ATOM 0 HB3 GLU A 22 57.102 11.444 1.528 1.00 0.00 H new ATOM 0 HG2 GLU A 22 59.551 10.845 1.336 1.00 0.00 H new ATOM 0 HG3 GLU A 22 59.515 10.191 2.961 1.00 0.00 H new ATOM 307 N THR A 23 58.406 13.764 0.807 1.00 0.00 N ATOM 308 CA THR A 23 59.124 14.483 -0.292 1.00 0.00 C ATOM 309 C THR A 23 59.360 15.964 0.027 1.00 0.00 C ATOM 310 O THR A 23 60.486 16.323 0.311 1.00 0.00 O ATOM 311 CB THR A 23 58.306 14.342 -1.607 1.00 0.00 C ATOM 312 OG1 THR A 23 57.008 14.840 -1.326 1.00 0.00 O ATOM 313 CG2 THR A 23 58.067 12.872 -1.967 1.00 0.00 C ATOM 0 H THR A 23 57.407 13.630 0.653 1.00 0.00 H new ATOM 0 HA THR A 23 60.108 14.027 -0.404 1.00 0.00 H new ATOM 0 HB THR A 23 58.844 14.853 -2.405 1.00 0.00 H new ATOM 0 HG1 THR A 23 56.349 14.364 -1.874 1.00 0.00 H new ATOM 0 HG21 THR A 23 57.492 12.813 -2.891 1.00 0.00 H new ATOM 0 HG22 THR A 23 59.025 12.370 -2.102 1.00 0.00 H new ATOM 0 HG23 THR A 23 57.513 12.386 -1.164 1.00 0.00 H new ATOM 321 N ARG A 24 58.319 16.771 -0.027 1.00 0.00 N ATOM 322 CA ARG A 24 58.394 18.250 0.255 1.00 0.00 C ATOM 323 C ARG A 24 59.131 19.019 -0.849 1.00 0.00 C ATOM 324 O ARG A 24 59.020 20.223 -0.974 1.00 0.00 O ATOM 325 CB ARG A 24 59.136 18.527 1.575 1.00 0.00 C ATOM 326 CG ARG A 24 58.412 17.880 2.746 1.00 0.00 C ATOM 327 CD ARG A 24 59.272 18.057 4.012 1.00 0.00 C ATOM 328 NE ARG A 24 58.491 17.557 5.187 1.00 0.00 N ATOM 329 CZ ARG A 24 58.733 17.971 6.406 1.00 0.00 C ATOM 330 NH1 ARG A 24 59.674 18.845 6.647 1.00 0.00 N ATOM 331 NH2 ARG A 24 58.005 17.482 7.370 1.00 0.00 N ATOM 0 H ARG A 24 57.381 16.450 -0.265 1.00 0.00 H new ATOM 0 HA ARG A 24 57.360 18.590 0.311 1.00 0.00 H new ATOM 0 HB2 ARG A 24 60.154 18.142 1.513 1.00 0.00 H new ATOM 0 HB3 ARG A 24 59.211 19.602 1.737 1.00 0.00 H new ATOM 0 HG2 ARG A 24 57.433 18.339 2.886 1.00 0.00 H new ATOM 0 HG3 ARG A 24 58.243 16.822 2.548 1.00 0.00 H new ATOM 0 HD2 ARG A 24 60.207 17.505 3.916 1.00 0.00 H new ATOM 0 HD3 ARG A 24 59.534 19.106 4.149 1.00 0.00 H new ATOM 0 HE ARG A 24 57.749 16.874 5.034 1.00 0.00 H new ATOM 0 HH11 ARG A 24 60.234 19.216 5.880 1.00 0.00 H new ATOM 0 HH12 ARG A 24 59.849 19.156 7.603 1.00 0.00 H new ATOM 0 HH21 ARG A 24 57.275 16.800 7.163 1.00 0.00 H new ATOM 0 HH22 ARG A 24 58.165 17.781 8.332 1.00 0.00 H new ATOM 345 N ASN A 25 59.860 18.256 -1.609 1.00 0.00 N ATOM 346 CA ASN A 25 60.677 18.741 -2.742 1.00 0.00 C ATOM 347 C ASN A 25 59.857 19.556 -3.762 1.00 0.00 C ATOM 348 O ASN A 25 60.373 20.465 -4.382 1.00 0.00 O ATOM 349 CB ASN A 25 61.301 17.481 -3.373 1.00 0.00 C ATOM 350 CG ASN A 25 62.092 16.676 -2.326 1.00 0.00 C ATOM 351 OD1 ASN A 25 62.120 15.462 -2.359 1.00 0.00 O ATOM 352 ND2 ASN A 25 62.742 17.300 -1.383 1.00 0.00 N ATOM 0 H ASN A 25 59.921 17.247 -1.475 1.00 0.00 H new ATOM 0 HA ASN A 25 61.443 19.436 -2.398 1.00 0.00 H new ATOM 0 HB2 ASN A 25 60.516 16.857 -3.800 1.00 0.00 H new ATOM 0 HB3 ASN A 25 61.961 17.768 -4.191 1.00 0.00 H new ATOM 0 HD21 ASN A 25 63.264 16.769 -0.686 1.00 0.00 H new ATOM 0 HD22 ASN A 25 62.728 18.319 -1.342 1.00 0.00 H new ATOM 359 N LYS A 26 58.604 19.195 -3.893 1.00 0.00 N ATOM 360 CA LYS A 26 57.667 19.872 -4.834 1.00 0.00 C ATOM 361 C LYS A 26 56.581 20.573 -4.013 1.00 0.00 C ATOM 362 O LYS A 26 55.956 19.969 -3.163 1.00 0.00 O ATOM 363 CB LYS A 26 56.985 18.839 -5.781 1.00 0.00 C ATOM 364 CG LYS A 26 57.947 18.107 -6.767 1.00 0.00 C ATOM 365 CD LYS A 26 59.020 17.251 -6.060 1.00 0.00 C ATOM 366 CE LYS A 26 59.865 16.479 -7.093 1.00 0.00 C ATOM 367 NZ LYS A 26 59.023 15.519 -7.861 1.00 0.00 N ATOM 0 H LYS A 26 58.181 18.431 -3.366 1.00 0.00 H new ATOM 0 HA LYS A 26 58.227 20.585 -5.439 1.00 0.00 H new ATOM 0 HB2 LYS A 26 56.477 18.091 -5.172 1.00 0.00 H new ATOM 0 HB3 LYS A 26 56.218 19.352 -6.361 1.00 0.00 H new ATOM 0 HG2 LYS A 26 57.360 17.468 -7.427 1.00 0.00 H new ATOM 0 HG3 LYS A 26 58.441 18.847 -7.397 1.00 0.00 H new ATOM 0 HD2 LYS A 26 59.666 17.891 -5.459 1.00 0.00 H new ATOM 0 HD3 LYS A 26 58.541 16.550 -5.376 1.00 0.00 H new ATOM 0 HE2 LYS A 26 60.339 17.182 -7.778 1.00 0.00 H new ATOM 0 HE3 LYS A 26 60.665 15.941 -6.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 59.600 15.061 -8.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 58.645 14.796 -7.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 58.235 16.029 -8.309 1.00 0.00 H new ATOM 381 N LEU A 27 56.400 21.836 -4.297 1.00 0.00 N ATOM 382 CA LEU A 27 55.369 22.669 -3.588 1.00 0.00 C ATOM 383 C LEU A 27 54.076 22.725 -4.423 1.00 0.00 C ATOM 384 O LEU A 27 53.373 23.713 -4.505 1.00 0.00 O ATOM 385 CB LEU A 27 55.920 24.105 -3.363 1.00 0.00 C ATOM 386 CG LEU A 27 57.126 24.170 -2.365 1.00 0.00 C ATOM 387 CD1 LEU A 27 58.382 23.400 -2.849 1.00 0.00 C ATOM 388 CD2 LEU A 27 57.502 25.649 -2.138 1.00 0.00 C ATOM 0 H LEU A 27 56.933 22.341 -5.005 1.00 0.00 H new ATOM 0 HA LEU A 27 55.146 22.217 -2.621 1.00 0.00 H new ATOM 0 HB2 LEU A 27 56.231 24.519 -4.322 1.00 0.00 H new ATOM 0 HB3 LEU A 27 55.116 24.738 -2.988 1.00 0.00 H new ATOM 0 HG LEU A 27 56.800 23.687 -1.444 1.00 0.00 H new ATOM 0 HD11 LEU A 27 59.174 23.491 -2.105 1.00 0.00 H new ATOM 0 HD12 LEU A 27 58.133 22.348 -2.987 1.00 0.00 H new ATOM 0 HD13 LEU A 27 58.723 23.819 -3.796 1.00 0.00 H new ATOM 0 HD21 LEU A 27 58.341 25.709 -1.445 1.00 0.00 H new ATOM 0 HD22 LEU A 27 57.784 26.103 -3.088 1.00 0.00 H new ATOM 0 HD23 LEU A 27 56.648 26.182 -1.721 1.00 0.00 H new ATOM 400 N VAL A 28 53.851 21.584 -5.005 1.00 0.00 N ATOM 401 CA VAL A 28 52.691 21.260 -5.895 1.00 0.00 C ATOM 402 C VAL A 28 52.557 19.747 -5.903 1.00 0.00 C ATOM 403 O VAL A 28 53.495 19.045 -5.582 1.00 0.00 O ATOM 404 CB VAL A 28 52.911 21.728 -7.365 1.00 0.00 C ATOM 405 CG1 VAL A 28 52.893 23.268 -7.474 1.00 0.00 C ATOM 406 CG2 VAL A 28 54.291 21.269 -7.854 1.00 0.00 C ATOM 0 H VAL A 28 54.482 20.791 -4.889 1.00 0.00 H new ATOM 0 HA VAL A 28 51.807 21.772 -5.516 1.00 0.00 H new ATOM 0 HB VAL A 28 52.106 21.299 -7.962 1.00 0.00 H new ATOM 0 HG11 VAL A 28 53.049 23.561 -8.512 1.00 0.00 H new ATOM 0 HG12 VAL A 28 51.930 23.646 -7.131 1.00 0.00 H new ATOM 0 HG13 VAL A 28 53.687 23.686 -6.856 1.00 0.00 H new ATOM 0 HG21 VAL A 28 54.441 21.598 -8.882 1.00 0.00 H new ATOM 0 HG22 VAL A 28 55.064 21.701 -7.219 1.00 0.00 H new ATOM 0 HG23 VAL A 28 54.350 20.182 -7.809 1.00 0.00 H new ATOM 416 N LEU A 29 51.385 19.312 -6.282 1.00 0.00 N ATOM 417 CA LEU A 29 51.055 17.858 -6.353 1.00 0.00 C ATOM 418 C LEU A 29 52.225 17.010 -6.853 1.00 0.00 C ATOM 419 O LEU A 29 52.672 16.107 -6.174 1.00 0.00 O ATOM 420 CB LEU A 29 49.796 17.769 -7.255 1.00 0.00 C ATOM 421 CG LEU A 29 49.147 16.340 -7.420 1.00 0.00 C ATOM 422 CD1 LEU A 29 50.056 15.293 -8.101 1.00 0.00 C ATOM 423 CD2 LEU A 29 48.707 15.803 -6.042 1.00 0.00 C ATOM 0 H LEU A 29 50.617 19.926 -6.554 1.00 0.00 H new ATOM 0 HA LEU A 29 50.855 17.443 -5.365 1.00 0.00 H new ATOM 0 HB2 LEU A 29 49.040 18.443 -6.852 1.00 0.00 H new ATOM 0 HB3 LEU A 29 50.059 18.141 -8.245 1.00 0.00 H new ATOM 0 HG LEU A 29 48.295 16.483 -8.084 1.00 0.00 H new ATOM 0 HD11 LEU A 29 49.527 14.343 -8.171 1.00 0.00 H new ATOM 0 HD12 LEU A 29 50.320 15.636 -9.101 1.00 0.00 H new ATOM 0 HD13 LEU A 29 50.963 15.160 -7.512 1.00 0.00 H new ATOM 0 HD21 LEU A 29 48.260 14.816 -6.162 1.00 0.00 H new ATOM 0 HD22 LEU A 29 49.574 15.731 -5.386 1.00 0.00 H new ATOM 0 HD23 LEU A 29 47.976 16.482 -5.603 1.00 0.00 H new ATOM 435 N CYS A 30 52.682 17.345 -8.021 1.00 0.00 N ATOM 436 CA CYS A 30 53.830 16.608 -8.649 1.00 0.00 C ATOM 437 C CYS A 30 54.853 17.593 -9.239 1.00 0.00 C ATOM 438 O CYS A 30 55.342 18.410 -8.490 1.00 0.00 O ATOM 439 CB CYS A 30 53.250 15.680 -9.718 1.00 0.00 C ATOM 440 SG CYS A 30 54.406 14.579 -10.578 1.00 0.00 S ATOM 0 H CYS A 30 52.309 18.109 -8.584 1.00 0.00 H new ATOM 0 HA CYS A 30 54.366 16.020 -7.904 1.00 0.00 H new ATOM 0 HB2 CYS A 30 52.482 15.064 -9.250 1.00 0.00 H new ATOM 0 HB3 CYS A 30 52.752 16.297 -10.466 1.00 0.00 H new ATOM 445 N ASP A 31 55.173 17.520 -10.515 1.00 0.00 N ATOM 446 CA ASP A 31 56.174 18.476 -11.111 1.00 0.00 C ATOM 447 C ASP A 31 56.442 18.252 -12.605 1.00 0.00 C ATOM 448 O ASP A 31 56.552 19.193 -13.367 1.00 0.00 O ATOM 449 CB ASP A 31 57.544 18.370 -10.359 1.00 0.00 C ATOM 450 CG ASP A 31 58.136 16.942 -10.411 1.00 0.00 C ATOM 451 OD1 ASP A 31 57.400 16.010 -10.127 1.00 0.00 O ATOM 452 OD2 ASP A 31 59.308 16.857 -10.735 1.00 0.00 O ATOM 0 H ASP A 31 54.785 16.841 -11.170 1.00 0.00 H new ATOM 0 HA ASP A 31 55.726 19.463 -10.997 1.00 0.00 H new ATOM 0 HB2 ASP A 31 58.253 19.071 -10.800 1.00 0.00 H new ATOM 0 HB3 ASP A 31 57.408 18.667 -9.319 1.00 0.00 H new ATOM 457 N LYS A 32 56.538 17.001 -12.968 1.00 0.00 N ATOM 458 CA LYS A 32 56.806 16.606 -14.392 1.00 0.00 C ATOM 459 C LYS A 32 55.610 16.824 -15.342 1.00 0.00 C ATOM 460 O LYS A 32 55.642 16.381 -16.473 1.00 0.00 O ATOM 461 CB LYS A 32 57.214 15.110 -14.404 1.00 0.00 C ATOM 462 CG LYS A 32 58.437 14.766 -13.493 1.00 0.00 C ATOM 463 CD LYS A 32 59.847 15.272 -13.949 1.00 0.00 C ATOM 464 CE LYS A 32 59.999 16.797 -14.090 1.00 0.00 C ATOM 465 NZ LYS A 32 61.429 17.126 -14.349 1.00 0.00 N ATOM 0 H LYS A 32 56.440 16.215 -12.326 1.00 0.00 H new ATOM 0 HA LYS A 32 57.601 17.251 -14.766 1.00 0.00 H new ATOM 0 HB2 LYS A 32 56.360 14.511 -14.087 1.00 0.00 H new ATOM 0 HB3 LYS A 32 57.446 14.818 -15.428 1.00 0.00 H new ATOM 0 HG2 LYS A 32 58.240 15.170 -12.500 1.00 0.00 H new ATOM 0 HG3 LYS A 32 58.486 13.682 -13.392 1.00 0.00 H new ATOM 0 HD2 LYS A 32 60.588 14.917 -13.233 1.00 0.00 H new ATOM 0 HD3 LYS A 32 60.084 14.812 -14.908 1.00 0.00 H new ATOM 0 HE2 LYS A 32 59.376 17.162 -14.906 1.00 0.00 H new ATOM 0 HE3 LYS A 32 59.658 17.294 -13.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 61.536 18.156 -14.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 62.012 16.790 -13.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 61.738 16.662 -15.227 1.00 0.00 H new ATOM 479 N LYS A 33 54.596 17.501 -14.865 1.00 0.00 N ATOM 480 CA LYS A 33 53.377 17.775 -15.694 1.00 0.00 C ATOM 481 C LYS A 33 52.506 18.821 -14.992 1.00 0.00 C ATOM 482 O LYS A 33 52.724 19.123 -13.833 1.00 0.00 O ATOM 483 CB LYS A 33 52.606 16.435 -15.870 1.00 0.00 C ATOM 484 CG LYS A 33 51.274 16.578 -16.637 1.00 0.00 C ATOM 485 CD LYS A 33 51.499 17.083 -18.082 1.00 0.00 C ATOM 486 CE LYS A 33 50.135 17.244 -18.779 1.00 0.00 C ATOM 487 NZ LYS A 33 49.415 15.939 -18.823 1.00 0.00 N ATOM 0 H LYS A 33 54.559 17.883 -13.920 1.00 0.00 H new ATOM 0 HA LYS A 33 53.651 18.168 -16.673 1.00 0.00 H new ATOM 0 HB2 LYS A 33 53.244 15.726 -16.398 1.00 0.00 H new ATOM 0 HB3 LYS A 33 52.404 16.011 -14.886 1.00 0.00 H new ATOM 0 HG2 LYS A 33 50.764 15.615 -16.663 1.00 0.00 H new ATOM 0 HG3 LYS A 33 50.621 17.271 -16.107 1.00 0.00 H new ATOM 0 HD2 LYS A 33 52.029 18.035 -18.069 1.00 0.00 H new ATOM 0 HD3 LYS A 33 52.122 16.379 -18.633 1.00 0.00 H new ATOM 0 HE2 LYS A 33 49.533 17.981 -18.247 1.00 0.00 H new ATOM 0 HE3 LYS A 33 50.279 17.621 -19.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 48.697 15.964 -19.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 50.093 15.175 -19.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 48.952 15.767 -17.908 1.00 0.00 H new ATOM 501 N CYS A 34 51.550 19.344 -15.725 1.00 0.00 N ATOM 502 CA CYS A 34 50.625 20.363 -15.160 1.00 0.00 C ATOM 503 C CYS A 34 49.138 20.111 -15.437 1.00 0.00 C ATOM 504 O CYS A 34 48.485 20.750 -16.241 1.00 0.00 O ATOM 505 CB CYS A 34 50.973 21.760 -15.686 1.00 0.00 C ATOM 506 SG CYS A 34 52.461 22.579 -15.057 1.00 0.00 S ATOM 0 H CYS A 34 51.375 19.102 -16.700 1.00 0.00 H new ATOM 0 HA CYS A 34 50.769 20.289 -14.082 1.00 0.00 H new ATOM 0 HB2 CYS A 34 51.066 21.692 -16.770 1.00 0.00 H new ATOM 0 HB3 CYS A 34 50.124 22.412 -15.480 1.00 0.00 H new ATOM 511 N ASN A 35 48.674 19.137 -14.713 1.00 0.00 N ATOM 512 CA ASN A 35 47.248 18.695 -14.778 1.00 0.00 C ATOM 513 C ASN A 35 46.456 19.730 -13.962 1.00 0.00 C ATOM 514 O ASN A 35 46.813 20.008 -12.832 1.00 0.00 O ATOM 515 CB ASN A 35 47.022 17.320 -14.105 1.00 0.00 C ATOM 516 CG ASN A 35 47.816 16.158 -14.708 1.00 0.00 C ATOM 517 OD1 ASN A 35 48.421 16.250 -15.757 1.00 0.00 O ATOM 518 ND2 ASN A 35 47.820 15.034 -14.038 1.00 0.00 N ATOM 0 H ASN A 35 49.242 18.607 -14.053 1.00 0.00 H new ATOM 0 HA ASN A 35 46.945 18.612 -15.822 1.00 0.00 H new ATOM 0 HB2 ASN A 35 47.278 17.404 -13.049 1.00 0.00 H new ATOM 0 HB3 ASN A 35 45.960 17.079 -14.157 1.00 0.00 H new ATOM 0 HD21 ASN A 35 48.333 14.229 -14.396 1.00 0.00 H new ATOM 0 HD22 ASN A 35 47.310 14.963 -13.158 1.00 0.00 H new ATOM 525 N GLN A 36 45.417 20.270 -14.544 1.00 0.00 N ATOM 526 CA GLN A 36 44.590 21.281 -13.814 1.00 0.00 C ATOM 527 C GLN A 36 43.522 20.484 -13.044 1.00 0.00 C ATOM 528 O GLN A 36 42.379 20.379 -13.447 1.00 0.00 O ATOM 529 CB GLN A 36 43.972 22.243 -14.852 1.00 0.00 C ATOM 530 CG GLN A 36 45.109 22.975 -15.595 1.00 0.00 C ATOM 531 CD GLN A 36 44.504 23.966 -16.593 1.00 0.00 C ATOM 532 OE1 GLN A 36 44.148 23.617 -17.702 1.00 0.00 O ATOM 533 NE2 GLN A 36 44.370 25.214 -16.234 1.00 0.00 N ATOM 0 H GLN A 36 45.105 20.056 -15.491 1.00 0.00 H new ATOM 0 HA GLN A 36 45.165 21.887 -13.114 1.00 0.00 H new ATOM 0 HB2 GLN A 36 43.355 21.688 -15.559 1.00 0.00 H new ATOM 0 HB3 GLN A 36 43.320 22.963 -14.357 1.00 0.00 H new ATOM 0 HG2 GLN A 36 45.745 23.501 -14.883 1.00 0.00 H new ATOM 0 HG3 GLN A 36 45.741 22.256 -16.116 1.00 0.00 H new ATOM 0 HE21 GLN A 36 44.667 25.512 -15.305 1.00 0.00 H new ATOM 0 HE22 GLN A 36 43.968 25.891 -16.883 1.00 0.00 H new ATOM 542 N ARG A 37 43.968 19.944 -11.936 1.00 0.00 N ATOM 543 CA ARG A 37 43.100 19.118 -11.035 1.00 0.00 C ATOM 544 C ARG A 37 43.440 19.337 -9.550 1.00 0.00 C ATOM 545 O ARG A 37 44.102 20.290 -9.197 1.00 0.00 O ATOM 546 CB ARG A 37 43.308 17.633 -11.431 1.00 0.00 C ATOM 547 CG ARG A 37 44.818 17.280 -11.288 1.00 0.00 C ATOM 548 CD ARG A 37 45.092 15.820 -11.679 1.00 0.00 C ATOM 549 NE ARG A 37 44.343 14.919 -10.749 1.00 0.00 N ATOM 550 CZ ARG A 37 44.696 13.669 -10.573 1.00 0.00 C ATOM 551 NH1 ARG A 37 45.721 13.166 -11.210 1.00 0.00 N ATOM 552 NH2 ARG A 37 43.993 12.949 -9.744 1.00 0.00 N ATOM 0 H ARG A 37 44.929 20.045 -11.608 1.00 0.00 H new ATOM 0 HA ARG A 37 42.058 19.413 -11.156 1.00 0.00 H new ATOM 0 HB2 ARG A 37 42.707 16.985 -10.793 1.00 0.00 H new ATOM 0 HB3 ARG A 37 42.977 17.466 -12.456 1.00 0.00 H new ATOM 0 HG2 ARG A 37 45.410 17.944 -11.918 1.00 0.00 H new ATOM 0 HG3 ARG A 37 45.137 17.449 -10.259 1.00 0.00 H new ATOM 0 HD2 ARG A 37 44.781 15.641 -12.708 1.00 0.00 H new ATOM 0 HD3 ARG A 37 46.160 15.610 -11.627 1.00 0.00 H new ATOM 0 HE ARG A 37 43.539 15.286 -10.240 1.00 0.00 H new ATOM 0 HH11 ARG A 37 46.257 13.748 -11.854 1.00 0.00 H new ATOM 0 HH12 ARG A 37 45.984 12.192 -11.063 1.00 0.00 H new ATOM 0 HH21 ARG A 37 43.198 13.362 -9.257 1.00 0.00 H new ATOM 0 HH22 ARG A 37 44.238 11.972 -9.582 1.00 0.00 H new ATOM 566 N CYS A 38 42.967 18.433 -8.730 1.00 0.00 N ATOM 567 CA CYS A 38 43.206 18.486 -7.249 1.00 0.00 C ATOM 568 C CYS A 38 44.698 18.404 -6.885 1.00 0.00 C ATOM 569 O CYS A 38 45.496 17.870 -7.631 1.00 0.00 O ATOM 570 CB CYS A 38 42.467 17.318 -6.591 1.00 0.00 C ATOM 571 SG CYS A 38 42.822 16.913 -4.866 1.00 0.00 S ATOM 0 H CYS A 38 42.408 17.635 -9.032 1.00 0.00 H new ATOM 0 HA CYS A 38 42.836 19.446 -6.888 1.00 0.00 H new ATOM 0 HB2 CYS A 38 41.399 17.520 -6.668 1.00 0.00 H new ATOM 0 HB3 CYS A 38 42.666 16.426 -7.186 1.00 0.00 H new ATOM 576 N GLY A 39 45.012 18.946 -5.736 1.00 0.00 N ATOM 577 CA GLY A 39 46.416 18.945 -5.236 1.00 0.00 C ATOM 578 C GLY A 39 46.521 19.819 -3.995 1.00 0.00 C ATOM 579 O GLY A 39 45.778 20.774 -3.864 1.00 0.00 O ATOM 0 H GLY A 39 44.341 19.397 -5.114 1.00 0.00 H new ATOM 0 HA2 GLY A 39 46.728 17.927 -5.003 1.00 0.00 H new ATOM 0 HA3 GLY A 39 47.088 19.315 -6.010 1.00 0.00 H new ATOM 583 N CYS A 40 47.437 19.472 -3.116 1.00 0.00 N ATOM 584 CA CYS A 40 47.628 20.267 -1.870 1.00 0.00 C ATOM 585 C CYS A 40 47.901 21.705 -2.277 1.00 0.00 C ATOM 586 O CYS A 40 48.287 21.975 -3.398 1.00 0.00 O ATOM 587 CB CYS A 40 48.825 19.763 -1.069 1.00 0.00 C ATOM 588 SG CYS A 40 48.841 18.104 -0.347 1.00 0.00 S ATOM 0 H CYS A 40 48.059 18.669 -3.214 1.00 0.00 H new ATOM 0 HA CYS A 40 46.735 20.179 -1.251 1.00 0.00 H new ATOM 0 HB2 CYS A 40 49.696 19.835 -1.720 1.00 0.00 H new ATOM 0 HB3 CYS A 40 48.979 20.467 -0.251 1.00 0.00 H new ATOM 593 N ILE A 41 47.704 22.590 -1.347 1.00 0.00 N ATOM 594 CA ILE A 41 47.938 24.021 -1.664 1.00 0.00 C ATOM 595 C ILE A 41 49.461 24.211 -1.802 1.00 0.00 C ATOM 596 O ILE A 41 50.244 23.396 -1.351 1.00 0.00 O ATOM 597 CB ILE A 41 47.366 24.920 -0.523 1.00 0.00 C ATOM 598 CG1 ILE A 41 45.840 24.705 -0.181 1.00 0.00 C ATOM 599 CG2 ILE A 41 47.412 26.368 -1.023 1.00 0.00 C ATOM 600 CD1 ILE A 41 45.468 23.305 0.323 1.00 0.00 C ATOM 0 H ILE A 41 47.396 22.390 -0.395 1.00 0.00 H new ATOM 0 HA ILE A 41 47.436 24.307 -2.588 1.00 0.00 H new ATOM 0 HB ILE A 41 47.963 24.677 0.356 1.00 0.00 H new ATOM 0 HG12 ILE A 41 45.549 25.434 0.575 1.00 0.00 H new ATOM 0 HG13 ILE A 41 45.252 24.919 -1.073 1.00 0.00 H new ATOM 0 HG21 ILE A 41 47.019 27.032 -0.253 1.00 0.00 H new ATOM 0 HG22 ILE A 41 48.443 26.643 -1.248 1.00 0.00 H new ATOM 0 HG23 ILE A 41 46.807 26.461 -1.925 1.00 0.00 H new ATOM 0 HD11 ILE A 41 44.398 23.265 0.528 1.00 0.00 H new ATOM 0 HD12 ILE A 41 45.720 22.566 -0.437 1.00 0.00 H new ATOM 0 HD13 ILE A 41 46.021 23.088 1.237 1.00 0.00 H new ATOM 612 N SER A 42 49.823 25.294 -2.430 1.00 0.00 N ATOM 613 CA SER A 42 51.262 25.615 -2.648 1.00 0.00 C ATOM 614 C SER A 42 51.896 26.031 -1.320 1.00 0.00 C ATOM 615 O SER A 42 51.719 27.134 -0.839 1.00 0.00 O ATOM 616 CB SER A 42 51.359 26.749 -3.689 1.00 0.00 C ATOM 617 OG SER A 42 52.755 26.959 -3.852 1.00 0.00 O ATOM 0 H SER A 42 49.172 25.982 -2.808 1.00 0.00 H new ATOM 0 HA SER A 42 51.799 24.743 -3.022 1.00 0.00 H new ATOM 0 HB2 SER A 42 50.887 26.466 -4.630 1.00 0.00 H new ATOM 0 HB3 SER A 42 50.859 27.653 -3.340 1.00 0.00 H new ATOM 0 HG SER A 42 52.904 27.672 -4.507 1.00 0.00 H new ATOM 623 N GLY A 43 52.620 25.086 -0.788 1.00 0.00 N ATOM 624 CA GLY A 43 53.334 25.264 0.509 1.00 0.00 C ATOM 625 C GLY A 43 53.035 24.048 1.386 1.00 0.00 C ATOM 626 O GLY A 43 53.839 23.681 2.221 1.00 0.00 O ATOM 0 H GLY A 43 52.750 24.168 -1.213 1.00 0.00 H new ATOM 0 HA2 GLY A 43 54.407 25.359 0.343 1.00 0.00 H new ATOM 0 HA3 GLY A 43 53.006 26.179 1.002 1.00 0.00 H new ATOM 630 N THR A 44 51.882 23.465 1.159 1.00 0.00 N ATOM 631 CA THR A 44 51.449 22.269 1.933 1.00 0.00 C ATOM 632 C THR A 44 51.711 20.996 1.138 1.00 0.00 C ATOM 633 O THR A 44 51.707 20.990 -0.077 1.00 0.00 O ATOM 634 CB THR A 44 49.932 22.357 2.261 1.00 0.00 C ATOM 635 OG1 THR A 44 49.227 22.463 1.028 1.00 0.00 O ATOM 636 CG2 THR A 44 49.602 23.643 3.007 1.00 0.00 C ATOM 0 H THR A 44 51.213 23.778 0.455 1.00 0.00 H new ATOM 0 HA THR A 44 52.022 22.242 2.860 1.00 0.00 H new ATOM 0 HB THR A 44 49.664 21.483 2.856 1.00 0.00 H new ATOM 0 HG1 THR A 44 49.857 22.673 0.308 1.00 0.00 H new ATOM 0 HG21 THR A 44 48.534 23.675 3.222 1.00 0.00 H new ATOM 0 HG22 THR A 44 50.161 23.675 3.942 1.00 0.00 H new ATOM 0 HG23 THR A 44 49.874 24.501 2.392 1.00 0.00 H new ATOM 644 N VAL A 45 51.930 19.966 1.904 1.00 0.00 N ATOM 645 CA VAL A 45 52.207 18.600 1.375 1.00 0.00 C ATOM 646 C VAL A 45 51.224 17.630 2.025 1.00 0.00 C ATOM 647 O VAL A 45 50.927 17.763 3.196 1.00 0.00 O ATOM 648 CB VAL A 45 53.676 18.182 1.700 1.00 0.00 C ATOM 649 CG1 VAL A 45 54.653 19.023 0.893 1.00 0.00 C ATOM 650 CG2 VAL A 45 54.050 18.416 3.183 1.00 0.00 C ATOM 0 H VAL A 45 51.928 20.018 2.923 1.00 0.00 H new ATOM 0 HA VAL A 45 52.085 18.586 0.292 1.00 0.00 H new ATOM 0 HB VAL A 45 53.738 17.121 1.460 1.00 0.00 H new ATOM 0 HG11 VAL A 45 55.674 18.722 1.129 1.00 0.00 H new ATOM 0 HG12 VAL A 45 54.468 18.875 -0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 45 54.519 20.076 1.142 1.00 0.00 H new ATOM 0 HG21 VAL A 45 55.082 18.108 3.351 1.00 0.00 H new ATOM 0 HG22 VAL A 45 53.944 19.474 3.422 1.00 0.00 H new ATOM 0 HG23 VAL A 45 53.388 17.831 3.822 1.00 0.00 H new ATOM 660 N LEU A 46 50.751 16.681 1.254 1.00 0.00 N ATOM 661 CA LEU A 46 49.772 15.684 1.790 1.00 0.00 C ATOM 662 C LEU A 46 50.405 14.901 2.953 1.00 0.00 C ATOM 663 O LEU A 46 51.258 14.071 2.720 1.00 0.00 O ATOM 664 CB LEU A 46 49.370 14.749 0.620 1.00 0.00 C ATOM 665 CG LEU A 46 48.257 13.744 1.024 1.00 0.00 C ATOM 666 CD1 LEU A 46 46.951 14.512 1.341 1.00 0.00 C ATOM 667 CD2 LEU A 46 48.007 12.765 -0.141 1.00 0.00 C ATOM 0 H LEU A 46 51.002 16.554 0.274 1.00 0.00 H new ATOM 0 HA LEU A 46 48.882 16.176 2.183 1.00 0.00 H new ATOM 0 HB2 LEU A 46 49.025 15.351 -0.221 1.00 0.00 H new ATOM 0 HB3 LEU A 46 50.247 14.199 0.280 1.00 0.00 H new ATOM 0 HG LEU A 46 48.572 13.190 1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 46 46.172 13.804 1.624 1.00 0.00 H new ATOM 0 HD12 LEU A 46 47.127 15.206 2.163 1.00 0.00 H new ATOM 0 HD13 LEU A 46 46.633 15.068 0.459 1.00 0.00 H new ATOM 0 HD21 LEU A 46 47.226 12.058 0.139 1.00 0.00 H new ATOM 0 HD22 LEU A 46 47.692 13.322 -1.023 1.00 0.00 H new ATOM 0 HD23 LEU A 46 48.926 12.222 -0.363 1.00 0.00 H new ATOM 679 N LYS A 47 49.954 15.212 4.150 1.00 0.00 N ATOM 680 CA LYS A 47 50.425 14.582 5.437 1.00 0.00 C ATOM 681 C LYS A 47 51.326 13.342 5.265 1.00 0.00 C ATOM 682 O LYS A 47 52.480 13.356 5.648 1.00 0.00 O ATOM 683 CB LYS A 47 49.167 14.205 6.270 1.00 0.00 C ATOM 684 CG LYS A 47 49.537 13.517 7.622 1.00 0.00 C ATOM 685 CD LYS A 47 50.371 14.402 8.595 1.00 0.00 C ATOM 686 CE LYS A 47 49.561 15.594 9.157 1.00 0.00 C ATOM 687 NZ LYS A 47 49.110 16.517 8.083 1.00 0.00 N ATOM 0 H LYS A 47 49.235 15.920 4.295 1.00 0.00 H new ATOM 0 HA LYS A 47 51.053 15.318 5.939 1.00 0.00 H new ATOM 0 HB2 LYS A 47 48.583 15.104 6.470 1.00 0.00 H new ATOM 0 HB3 LYS A 47 48.534 13.537 5.686 1.00 0.00 H new ATOM 0 HG2 LYS A 47 48.618 13.215 8.124 1.00 0.00 H new ATOM 0 HG3 LYS A 47 50.098 12.607 7.409 1.00 0.00 H new ATOM 0 HD2 LYS A 47 50.729 13.789 9.422 1.00 0.00 H new ATOM 0 HD3 LYS A 47 51.251 14.779 8.074 1.00 0.00 H new ATOM 0 HE2 LYS A 47 48.694 15.219 9.700 1.00 0.00 H new ATOM 0 HE3 LYS A 47 50.173 16.143 9.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 49.140 17.496 8.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 49.737 16.423 7.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 48.136 16.278 7.806 1.00 0.00 H new ATOM 701 N SER A 48 50.751 12.318 4.688 1.00 0.00 N ATOM 702 CA SER A 48 51.487 11.037 4.446 1.00 0.00 C ATOM 703 C SER A 48 51.344 10.589 3.002 1.00 0.00 C ATOM 704 O SER A 48 50.626 11.199 2.232 1.00 0.00 O ATOM 705 CB SER A 48 50.930 9.954 5.388 1.00 0.00 C ATOM 706 OG SER A 48 51.171 10.469 6.690 1.00 0.00 O ATOM 0 H SER A 48 49.783 12.315 4.367 1.00 0.00 H new ATOM 0 HA SER A 48 52.547 11.197 4.644 1.00 0.00 H new ATOM 0 HB2 SER A 48 49.867 9.785 5.217 1.00 0.00 H new ATOM 0 HB3 SER A 48 51.433 8.998 5.238 1.00 0.00 H new ATOM 0 HG SER A 48 50.841 9.834 7.359 1.00 0.00 H new ATOM 712 N LYS A 49 52.060 9.523 2.727 1.00 0.00 N ATOM 713 CA LYS A 49 52.124 8.851 1.385 1.00 0.00 C ATOM 714 C LYS A 49 50.822 8.933 0.588 1.00 0.00 C ATOM 715 O LYS A 49 50.843 8.968 -0.627 1.00 0.00 O ATOM 716 CB LYS A 49 52.492 7.365 1.592 1.00 0.00 C ATOM 717 CG LYS A 49 53.869 7.205 2.293 1.00 0.00 C ATOM 718 CD LYS A 49 55.033 7.835 1.479 1.00 0.00 C ATOM 719 CE LYS A 49 55.163 7.183 0.085 1.00 0.00 C ATOM 720 NZ LYS A 49 55.427 5.722 0.224 1.00 0.00 N ATOM 0 H LYS A 49 52.641 9.063 3.428 1.00 0.00 H new ATOM 0 HA LYS A 49 52.878 9.381 0.803 1.00 0.00 H new ATOM 0 HB2 LYS A 49 51.721 6.879 2.190 1.00 0.00 H new ATOM 0 HB3 LYS A 49 52.514 6.858 0.627 1.00 0.00 H new ATOM 0 HG2 LYS A 49 53.827 7.670 3.278 1.00 0.00 H new ATOM 0 HG3 LYS A 49 54.072 6.145 2.449 1.00 0.00 H new ATOM 0 HD2 LYS A 49 54.863 8.906 1.367 1.00 0.00 H new ATOM 0 HD3 LYS A 49 55.968 7.716 2.027 1.00 0.00 H new ATOM 0 HE2 LYS A 49 54.248 7.342 -0.486 1.00 0.00 H new ATOM 0 HE3 LYS A 49 55.973 7.655 -0.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 55.729 5.335 -0.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 56.177 5.570 0.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 54.559 5.240 0.534 1.00 0.00 H new ATOM 734 N ASP A 50 49.734 8.966 1.312 1.00 0.00 N ATOM 735 CA ASP A 50 48.393 9.045 0.657 1.00 0.00 C ATOM 736 C ASP A 50 47.322 9.361 1.714 1.00 0.00 C ATOM 737 O ASP A 50 46.383 8.615 1.921 1.00 0.00 O ATOM 738 CB ASP A 50 48.105 7.683 -0.048 1.00 0.00 C ATOM 739 CG ASP A 50 46.755 7.738 -0.792 1.00 0.00 C ATOM 740 OD1 ASP A 50 46.678 8.527 -1.720 1.00 0.00 O ATOM 741 OD2 ASP A 50 45.876 6.990 -0.393 1.00 0.00 O ATOM 0 H ASP A 50 49.715 8.942 2.332 1.00 0.00 H new ATOM 0 HA ASP A 50 48.375 9.841 -0.088 1.00 0.00 H new ATOM 0 HB2 ASP A 50 48.906 7.454 -0.751 1.00 0.00 H new ATOM 0 HB3 ASP A 50 48.089 6.881 0.690 1.00 0.00 H new ATOM 746 N SER A 51 47.508 10.483 2.361 1.00 0.00 N ATOM 747 CA SER A 51 46.548 10.928 3.417 1.00 0.00 C ATOM 748 C SER A 51 45.395 11.693 2.718 1.00 0.00 C ATOM 749 O SER A 51 45.129 11.458 1.554 1.00 0.00 O ATOM 750 CB SER A 51 47.355 11.809 4.389 1.00 0.00 C ATOM 751 OG SER A 51 46.479 12.128 5.460 1.00 0.00 O ATOM 0 H SER A 51 48.292 11.116 2.201 1.00 0.00 H new ATOM 0 HA SER A 51 46.098 10.109 3.978 1.00 0.00 H new ATOM 0 HB2 SER A 51 48.236 11.280 4.752 1.00 0.00 H new ATOM 0 HB3 SER A 51 47.707 12.713 3.893 1.00 0.00 H new ATOM 0 HG SER A 51 46.970 12.090 6.307 1.00 0.00 H new ATOM 757 N SER A 52 44.747 12.575 3.437 1.00 0.00 N ATOM 758 CA SER A 52 43.615 13.388 2.886 1.00 0.00 C ATOM 759 C SER A 52 43.871 14.873 3.182 1.00 0.00 C ATOM 760 O SER A 52 43.484 15.739 2.420 1.00 0.00 O ATOM 761 CB SER A 52 42.304 12.923 3.551 1.00 0.00 C ATOM 762 OG SER A 52 42.494 13.141 4.944 1.00 0.00 O ATOM 0 H SER A 52 44.962 12.772 4.414 1.00 0.00 H new ATOM 0 HA SER A 52 43.537 13.254 1.807 1.00 0.00 H new ATOM 0 HB2 SER A 52 41.451 13.489 3.177 1.00 0.00 H new ATOM 0 HB3 SER A 52 42.107 11.872 3.340 1.00 0.00 H new ATOM 0 HG SER A 52 41.689 12.865 5.431 1.00 0.00 H new ATOM 768 N GLU A 53 44.524 15.107 4.293 1.00 0.00 N ATOM 769 CA GLU A 53 44.857 16.496 4.732 1.00 0.00 C ATOM 770 C GLU A 53 46.325 16.802 4.418 1.00 0.00 C ATOM 771 O GLU A 53 47.160 15.918 4.443 1.00 0.00 O ATOM 772 CB GLU A 53 44.576 16.596 6.249 1.00 0.00 C ATOM 773 CG GLU A 53 44.926 18.006 6.806 1.00 0.00 C ATOM 774 CD GLU A 53 44.150 19.127 6.079 1.00 0.00 C ATOM 775 OE1 GLU A 53 42.962 18.951 5.860 1.00 0.00 O ATOM 776 OE2 GLU A 53 44.802 20.114 5.780 1.00 0.00 O ATOM 0 H GLU A 53 44.847 14.377 4.927 1.00 0.00 H new ATOM 0 HA GLU A 53 44.248 17.228 4.201 1.00 0.00 H new ATOM 0 HB2 GLU A 53 43.525 16.380 6.440 1.00 0.00 H new ATOM 0 HB3 GLU A 53 45.158 15.841 6.778 1.00 0.00 H new ATOM 0 HG2 GLU A 53 44.699 18.041 7.872 1.00 0.00 H new ATOM 0 HG3 GLU A 53 45.997 18.181 6.702 1.00 0.00 H new ATOM 783 N CYS A 54 46.580 18.056 4.136 1.00 0.00 N ATOM 784 CA CYS A 54 47.961 18.519 3.805 1.00 0.00 C ATOM 785 C CYS A 54 48.387 19.595 4.813 1.00 0.00 C ATOM 786 O CYS A 54 47.572 20.350 5.310 1.00 0.00 O ATOM 787 CB CYS A 54 47.984 19.132 2.409 1.00 0.00 C ATOM 788 SG CYS A 54 47.340 18.197 1.000 1.00 0.00 S ATOM 0 H CYS A 54 45.874 18.792 4.121 1.00 0.00 H new ATOM 0 HA CYS A 54 48.640 17.667 3.845 1.00 0.00 H new ATOM 0 HB2 CYS A 54 47.429 20.069 2.457 1.00 0.00 H new ATOM 0 HB3 CYS A 54 49.020 19.386 2.183 1.00 0.00 H new ATOM 793 N VAL A 55 49.665 19.619 5.074 1.00 0.00 N ATOM 794 CA VAL A 55 50.277 20.594 6.026 1.00 0.00 C ATOM 795 C VAL A 55 51.657 20.968 5.505 1.00 0.00 C ATOM 796 O VAL A 55 52.292 20.163 4.853 1.00 0.00 O ATOM 797 CB VAL A 55 50.414 19.958 7.437 1.00 0.00 C ATOM 798 CG1 VAL A 55 49.017 19.704 8.043 1.00 0.00 C ATOM 799 CG2 VAL A 55 51.179 18.615 7.348 1.00 0.00 C ATOM 0 H VAL A 55 50.336 18.978 4.650 1.00 0.00 H new ATOM 0 HA VAL A 55 49.643 21.478 6.103 1.00 0.00 H new ATOM 0 HB VAL A 55 50.968 20.649 8.073 1.00 0.00 H new ATOM 0 HG11 VAL A 55 49.125 19.258 9.032 1.00 0.00 H new ATOM 0 HG12 VAL A 55 48.480 20.649 8.128 1.00 0.00 H new ATOM 0 HG13 VAL A 55 48.459 19.026 7.398 1.00 0.00 H new ATOM 0 HG21 VAL A 55 51.268 18.180 8.344 1.00 0.00 H new ATOM 0 HG22 VAL A 55 50.635 17.929 6.699 1.00 0.00 H new ATOM 0 HG23 VAL A 55 52.174 18.789 6.938 1.00 0.00 H new ATOM 809 N HIS A 56 52.090 22.167 5.801 1.00 0.00 N ATOM 810 CA HIS A 56 53.440 22.601 5.325 1.00 0.00 C ATOM 811 C HIS A 56 54.486 21.686 5.985 1.00 0.00 C ATOM 812 O HIS A 56 54.203 21.077 6.999 1.00 0.00 O ATOM 813 CB HIS A 56 53.698 24.058 5.739 1.00 0.00 C ATOM 814 CG HIS A 56 52.602 24.965 5.174 1.00 0.00 C ATOM 815 ND1 HIS A 56 52.656 25.578 4.038 1.00 0.00 N ATOM 816 CD2 HIS A 56 51.375 25.329 5.702 1.00 0.00 C ATOM 817 CE1 HIS A 56 51.572 26.263 3.861 1.00 0.00 C ATOM 818 NE2 HIS A 56 50.747 26.136 4.870 1.00 0.00 N ATOM 0 H HIS A 56 51.574 22.858 6.346 1.00 0.00 H new ATOM 0 HA HIS A 56 53.498 22.533 4.239 1.00 0.00 H new ATOM 0 HB2 HIS A 56 53.722 24.137 6.826 1.00 0.00 H new ATOM 0 HB3 HIS A 56 54.673 24.381 5.374 1.00 0.00 H new ATOM 0 HD2 HIS A 56 50.989 25.000 6.656 1.00 0.00 H new ATOM 0 HE1 HIS A 56 51.372 26.866 2.987 1.00 0.00 H new ATOM 0 HE2 HIS A 56 49.828 26.564 4.986 1.00 0.00 H new ATOM 826 N PRO A 57 55.660 21.608 5.404 1.00 0.00 N ATOM 827 CA PRO A 57 56.761 20.814 5.983 1.00 0.00 C ATOM 828 C PRO A 57 57.095 21.239 7.425 1.00 0.00 C ATOM 829 O PRO A 57 57.697 20.479 8.159 1.00 0.00 O ATOM 830 CB PRO A 57 57.925 21.094 5.017 1.00 0.00 C ATOM 831 CG PRO A 57 57.559 22.355 4.328 1.00 0.00 C ATOM 832 CD PRO A 57 56.086 22.250 4.143 1.00 0.00 C ATOM 0 HA PRO A 57 56.519 19.755 6.072 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.868 21.198 5.555 1.00 0.00 H new ATOM 0 HB3 PRO A 57 58.052 20.278 4.305 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.825 23.228 4.925 1.00 0.00 H new ATOM 0 HG3 PRO A 57 58.075 22.452 3.373 1.00 0.00 H new ATOM 0 HD2 PRO A 57 55.622 23.227 4.006 1.00 0.00 H new ATOM 0 HD3 PRO A 57 55.827 21.649 3.272 1.00 0.00 H new ATOM 840 N SER A 58 56.684 22.438 7.761 1.00 0.00 N ATOM 841 CA SER A 58 56.928 22.999 9.123 1.00 0.00 C ATOM 842 C SER A 58 55.900 22.551 10.180 1.00 0.00 C ATOM 843 O SER A 58 56.182 22.655 11.359 1.00 0.00 O ATOM 844 CB SER A 58 56.960 24.544 8.988 1.00 0.00 C ATOM 845 OG SER A 58 55.732 24.903 8.375 1.00 0.00 O ATOM 0 H SER A 58 56.179 23.063 7.133 1.00 0.00 H new ATOM 0 HA SER A 58 57.878 22.612 9.491 1.00 0.00 H new ATOM 0 HB2 SER A 58 57.064 25.020 9.963 1.00 0.00 H new ATOM 0 HB3 SER A 58 57.808 24.866 8.384 1.00 0.00 H new ATOM 0 HG SER A 58 55.306 25.619 8.891 1.00 0.00 H new ATOM 851 N LYS A 59 54.753 22.071 9.755 1.00 0.00 N ATOM 852 CA LYS A 59 53.709 21.611 10.735 1.00 0.00 C ATOM 853 C LYS A 59 53.680 20.082 10.768 1.00 0.00 C ATOM 854 O LYS A 59 53.247 19.503 11.747 1.00 0.00 O ATOM 855 CB LYS A 59 52.276 22.081 10.357 1.00 0.00 C ATOM 856 CG LYS A 59 52.081 23.615 10.410 1.00 0.00 C ATOM 857 CD LYS A 59 52.841 24.311 9.289 1.00 0.00 C ATOM 858 CE LYS A 59 52.601 25.830 9.332 1.00 0.00 C ATOM 859 NZ LYS A 59 51.154 26.132 9.151 1.00 0.00 N ATOM 0 H LYS A 59 54.493 21.977 8.773 1.00 0.00 H new ATOM 0 HA LYS A 59 53.981 22.043 11.698 1.00 0.00 H new ATOM 0 HB2 LYS A 59 52.043 21.730 9.352 1.00 0.00 H new ATOM 0 HB3 LYS A 59 51.561 21.611 11.032 1.00 0.00 H new ATOM 0 HG2 LYS A 59 51.020 23.851 10.333 1.00 0.00 H new ATOM 0 HG3 LYS A 59 52.423 23.994 11.373 1.00 0.00 H new ATOM 0 HD2 LYS A 59 53.907 24.103 9.382 1.00 0.00 H new ATOM 0 HD3 LYS A 59 52.522 23.914 8.325 1.00 0.00 H new ATOM 0 HE2 LYS A 59 52.947 26.232 10.284 1.00 0.00 H new ATOM 0 HE3 LYS A 59 53.182 26.319 8.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 51.048 27.033 8.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 50.706 25.370 8.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 50.695 26.205 10.082 1.00 0.00 H new ATOM 873 N CYS A 60 54.140 19.478 9.696 1.00 0.00 N ATOM 874 CA CYS A 60 54.176 17.984 9.593 1.00 0.00 C ATOM 875 C CYS A 60 54.691 17.309 10.885 1.00 0.00 C ATOM 876 O CYS A 60 54.016 16.395 11.326 1.00 0.00 O ATOM 877 CB CYS A 60 55.085 17.592 8.424 1.00 0.00 C ATOM 878 SG CYS A 60 54.599 17.885 6.708 1.00 0.00 S ATOM 879 OXT CYS A 60 55.730 17.748 11.353 1.00 0.00 O ATOM 0 H CYS A 60 54.498 19.967 8.875 1.00 0.00 H new ATOM 0 HA CYS A 60 53.154 17.639 9.433 1.00 0.00 H new ATOM 0 HB2 CYS A 60 56.035 18.105 8.576 1.00 0.00 H new ATOM 0 HB3 CYS A 60 55.281 16.524 8.520 1.00 0.00 H new