USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 423 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 229 HIS HD1 : A 229 HIS ND1 : A 500 ZNZN :(H bumps) USER MOD Set 1.1: A 230 THR OG1 : rot -81:sc= -0.16 USER MOD Set 1.2: A 233 GLN :FLIP amide:sc= -1.94! C(o=-3.4!,f=-2.1!) USER MOD Single : A 203 SER OG : rot 180:sc= 0 USER MOD Single : A 206 THR OG1 : rot 180:sc= 0 USER MOD Single : A 207 THR OG1 : rot 180:sc= 0 USER MOD Single : A 208 GLN : amide:sc= 0.205 X(o=0.21,f=-0.082) USER MOD Single : A 213 SER OG : rot 180:sc= 0 USER MOD Single : A 215 HIS :FLIP no HD1:sc= 0.0196 F(o=-0.55,f=0.02) USER MOD Single : A 216 THR OG1 : rot 180:sc= 0 USER MOD Single : A 217 LYS NZ :NH3+ -172:sc=-0.00672 (180deg=-0.0795) USER MOD Single : A 218 LYS NZ :NH3+ -163:sc= -0.03 (180deg=-0.317) USER MOD Single : A 219 MET CE :methyl 170:sc= -0.0983 (180deg=-0.256) USER MOD Single : A 221 THR OG1 : rot 180:sc= 0 USER MOD Single : A 223 SER OG : rot 180:sc= 0 USER MOD Single : A 228 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 236 THR OG1 : rot 180:sc= 0 USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 245 SER OG : rot 180:sc= -0.507 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 198 50.991 -0.832 13.877 1.00 0.00 N ATOM 2 CA PRO A 198 50.724 -0.031 12.659 1.00 0.00 C ATOM 3 C PRO A 198 51.396 1.364 12.611 1.00 0.00 C ATOM 4 O PRO A 198 51.780 1.839 11.525 1.00 0.00 O ATOM 5 CB PRO A 198 49.198 0.093 12.614 1.00 0.00 C ATOM 6 CG PRO A 198 48.709 -0.461 13.916 1.00 0.00 C ATOM 7 CD PRO A 198 49.759 -1.412 14.405 1.00 0.00 C ATOM 0 HA PRO A 198 51.158 -0.532 11.794 1.00 0.00 H new ATOM 0 HB2 PRO A 198 48.893 1.132 12.491 1.00 0.00 H new ATOM 0 HB3 PRO A 198 48.785 -0.462 11.772 1.00 0.00 H new ATOM 0 HG2 PRO A 198 48.545 0.338 14.639 1.00 0.00 H new ATOM 0 HG3 PRO A 198 47.755 -0.973 13.784 1.00 0.00 H new ATOM 0 HD2 PRO A 198 49.774 -1.473 15.493 1.00 0.00 H new ATOM 0 HD3 PRO A 198 49.595 -2.423 14.031 1.00 0.00 H new ATOM 15 N GLU A 199 51.563 2.004 13.753 1.00 0.00 N ATOM 16 CA GLU A 199 52.198 3.309 13.787 1.00 0.00 C ATOM 17 C GLU A 199 53.712 3.177 13.625 1.00 0.00 C ATOM 18 O GLU A 199 54.301 3.712 12.685 1.00 0.00 O ATOM 19 CB GLU A 199 51.858 4.101 15.068 1.00 0.00 C ATOM 20 CG GLU A 199 50.402 4.587 15.190 1.00 0.00 C ATOM 21 CD GLU A 199 49.388 3.481 15.367 1.00 0.00 C ATOM 22 OE1 GLU A 199 49.277 2.941 16.492 1.00 0.00 O ATOM 23 OE2 GLU A 199 48.687 3.131 14.397 1.00 0.00 O ATOM 0 H GLU A 199 51.271 1.646 14.662 1.00 0.00 H new ATOM 0 HA GLU A 199 51.798 3.876 12.946 1.00 0.00 H new ATOM 0 HB2 GLU A 199 52.085 3.475 15.931 1.00 0.00 H new ATOM 0 HB3 GLU A 199 52.516 4.968 15.122 1.00 0.00 H new ATOM 0 HG2 GLU A 199 50.329 5.269 16.037 1.00 0.00 H new ATOM 0 HG3 GLU A 199 50.146 5.158 14.298 1.00 0.00 H new ATOM 30 N GLU A 200 54.321 2.404 14.484 1.00 0.00 N ATOM 31 CA GLU A 200 55.714 2.210 14.494 1.00 0.00 C ATOM 32 C GLU A 200 56.203 1.339 13.383 1.00 0.00 C ATOM 33 O GLU A 200 57.360 1.347 13.060 1.00 0.00 O ATOM 34 CB GLU A 200 56.199 1.748 15.829 1.00 0.00 C ATOM 35 CG GLU A 200 55.444 0.627 16.520 1.00 0.00 C ATOM 36 CD GLU A 200 54.180 1.110 17.182 1.00 0.00 C ATOM 37 OE1 GLU A 200 54.219 1.501 18.358 1.00 0.00 O ATOM 38 OE2 GLU A 200 53.140 1.132 16.531 1.00 0.00 O ATOM 0 H GLU A 200 53.830 1.884 15.211 1.00 0.00 H new ATOM 0 HA GLU A 200 56.154 3.190 14.308 1.00 0.00 H new ATOM 0 HB2 GLU A 200 57.235 1.430 15.714 1.00 0.00 H new ATOM 0 HB3 GLU A 200 56.202 2.609 16.498 1.00 0.00 H new ATOM 0 HG2 GLU A 200 55.197 -0.145 15.791 1.00 0.00 H new ATOM 0 HG3 GLU A 200 56.089 0.165 17.267 1.00 0.00 H new ATOM 45 N LEU A 201 55.337 0.561 12.863 1.00 0.00 N ATOM 46 CA LEU A 201 55.602 -0.246 11.679 1.00 0.00 C ATOM 47 C LEU A 201 55.903 0.647 10.477 1.00 0.00 C ATOM 48 O LEU A 201 56.832 0.405 9.714 1.00 0.00 O ATOM 49 CB LEU A 201 54.414 -1.165 11.402 1.00 0.00 C ATOM 50 CG LEU A 201 54.295 -1.681 10.004 1.00 0.00 C ATOM 51 CD1 LEU A 201 53.807 -3.093 10.023 1.00 0.00 C ATOM 52 CD2 LEU A 201 53.314 -0.834 9.228 1.00 0.00 C ATOM 0 H LEU A 201 54.395 0.445 13.236 1.00 0.00 H new ATOM 0 HA LEU A 201 56.481 -0.865 11.859 1.00 0.00 H new ATOM 0 HB2 LEU A 201 54.474 -2.017 12.079 1.00 0.00 H new ATOM 0 HB3 LEU A 201 53.499 -0.627 11.648 1.00 0.00 H new ATOM 0 HG LEU A 201 55.275 -1.638 9.529 1.00 0.00 H new ATOM 0 HD11 LEU A 201 53.723 -3.463 9.001 1.00 0.00 H new ATOM 0 HD12 LEU A 201 54.511 -3.714 10.576 1.00 0.00 H new ATOM 0 HD13 LEU A 201 52.830 -3.134 10.505 1.00 0.00 H new ATOM 0 HD21 LEU A 201 53.231 -1.214 8.210 1.00 0.00 H new ATOM 0 HD22 LEU A 201 52.338 -0.873 9.711 1.00 0.00 H new ATOM 0 HD23 LEU A 201 53.665 0.198 9.203 1.00 0.00 H new ATOM 64 N ARG A 202 55.092 1.656 10.323 1.00 0.00 N ATOM 65 CA ARG A 202 55.258 2.655 9.322 1.00 0.00 C ATOM 66 C ARG A 202 56.599 3.366 9.536 1.00 0.00 C ATOM 67 O ARG A 202 57.316 3.683 8.581 1.00 0.00 O ATOM 68 CB ARG A 202 54.076 3.609 9.425 1.00 0.00 C ATOM 69 CG ARG A 202 54.228 4.879 8.661 1.00 0.00 C ATOM 70 CD ARG A 202 52.960 5.704 8.730 1.00 0.00 C ATOM 71 NE ARG A 202 53.113 7.018 8.108 1.00 0.00 N ATOM 72 CZ ARG A 202 52.119 7.877 7.870 1.00 0.00 C ATOM 73 NH1 ARG A 202 50.850 7.495 8.007 1.00 0.00 N ATOM 74 NH2 ARG A 202 52.398 9.106 7.454 1.00 0.00 N ATOM 0 H ARG A 202 54.273 1.804 10.913 1.00 0.00 H new ATOM 0 HA ARG A 202 55.278 2.227 8.320 1.00 0.00 H new ATOM 0 HB2 ARG A 202 53.181 3.095 9.074 1.00 0.00 H new ATOM 0 HB3 ARG A 202 53.913 3.851 10.475 1.00 0.00 H new ATOM 0 HG2 ARG A 202 55.063 5.453 9.063 1.00 0.00 H new ATOM 0 HG3 ARG A 202 54.466 4.657 7.621 1.00 0.00 H new ATOM 0 HD2 ARG A 202 52.152 5.164 8.237 1.00 0.00 H new ATOM 0 HD3 ARG A 202 52.669 5.831 9.773 1.00 0.00 H new ATOM 0 HE ARG A 202 54.054 7.301 7.834 1.00 0.00 H new ATOM 0 HH11 ARG A 202 50.633 6.541 8.295 1.00 0.00 H new ATOM 0 HH12 ARG A 202 50.096 8.157 7.824 1.00 0.00 H new ATOM 0 HH21 ARG A 202 53.368 9.390 7.318 1.00 0.00 H new ATOM 0 HH22 ARG A 202 51.642 9.766 7.271 1.00 0.00 H new ATOM 88 N SER A 203 56.932 3.560 10.796 1.00 0.00 N ATOM 89 CA SER A 203 58.206 4.142 11.192 1.00 0.00 C ATOM 90 C SER A 203 59.343 3.152 10.889 1.00 0.00 C ATOM 91 O SER A 203 60.420 3.543 10.420 1.00 0.00 O ATOM 92 CB SER A 203 58.158 4.487 12.691 1.00 0.00 C ATOM 93 OG SER A 203 59.360 5.080 13.160 1.00 0.00 O ATOM 0 H SER A 203 56.326 3.319 11.580 1.00 0.00 H new ATOM 0 HA SER A 203 58.392 5.056 10.629 1.00 0.00 H new ATOM 0 HB2 SER A 203 57.327 5.168 12.876 1.00 0.00 H new ATOM 0 HB3 SER A 203 57.960 3.580 13.261 1.00 0.00 H new ATOM 0 HG SER A 203 59.275 5.280 14.116 1.00 0.00 H new ATOM 99 N LEU A 204 59.067 1.870 11.141 1.00 0.00 N ATOM 100 CA LEU A 204 59.987 0.772 10.923 1.00 0.00 C ATOM 101 C LEU A 204 60.471 0.807 9.501 1.00 0.00 C ATOM 102 O LEU A 204 61.645 0.977 9.264 1.00 0.00 O ATOM 103 CB LEU A 204 59.291 -0.583 11.246 1.00 0.00 C ATOM 104 CG LEU A 204 60.176 -1.842 11.209 1.00 0.00 C ATOM 105 CD1 LEU A 204 59.769 -2.820 12.267 1.00 0.00 C ATOM 106 CD2 LEU A 204 60.088 -2.537 9.862 1.00 0.00 C ATOM 0 H LEU A 204 58.167 1.568 11.514 1.00 0.00 H new ATOM 0 HA LEU A 204 60.845 0.873 11.588 1.00 0.00 H new ATOM 0 HB2 LEU A 204 58.846 -0.509 12.238 1.00 0.00 H new ATOM 0 HB3 LEU A 204 58.473 -0.722 10.540 1.00 0.00 H new ATOM 0 HG LEU A 204 61.199 -1.510 11.386 1.00 0.00 H new ATOM 0 HD11 LEU A 204 60.412 -3.699 12.217 1.00 0.00 H new ATOM 0 HD12 LEU A 204 59.866 -2.356 13.248 1.00 0.00 H new ATOM 0 HD13 LEU A 204 58.733 -3.118 12.107 1.00 0.00 H new ATOM 0 HD21 LEU A 204 60.724 -3.422 9.867 1.00 0.00 H new ATOM 0 HD22 LEU A 204 59.056 -2.832 9.672 1.00 0.00 H new ATOM 0 HD23 LEU A 204 60.421 -1.856 9.079 1.00 0.00 H new ATOM 118 N LEU A 205 59.537 0.753 8.569 1.00 0.00 N ATOM 119 CA LEU A 205 59.816 0.765 7.133 1.00 0.00 C ATOM 120 C LEU A 205 60.682 1.955 6.647 1.00 0.00 C ATOM 121 O LEU A 205 61.180 1.926 5.529 1.00 0.00 O ATOM 122 CB LEU A 205 58.500 0.701 6.330 1.00 0.00 C ATOM 123 CG LEU A 205 57.907 -0.684 5.984 1.00 0.00 C ATOM 124 CD1 LEU A 205 58.779 -1.376 4.994 1.00 0.00 C ATOM 125 CD2 LEU A 205 57.752 -1.566 7.191 1.00 0.00 C ATOM 0 H LEU A 205 58.542 0.698 8.787 1.00 0.00 H new ATOM 0 HA LEU A 205 60.417 -0.126 6.950 1.00 0.00 H new ATOM 0 HB2 LEU A 205 57.745 1.253 6.889 1.00 0.00 H new ATOM 0 HB3 LEU A 205 58.658 1.236 5.394 1.00 0.00 H new ATOM 0 HG LEU A 205 56.915 -0.506 5.569 1.00 0.00 H new ATOM 0 HD11 LEU A 205 58.355 -2.351 4.755 1.00 0.00 H new ATOM 0 HD12 LEU A 205 58.845 -0.777 4.086 1.00 0.00 H new ATOM 0 HD13 LEU A 205 59.775 -1.507 5.416 1.00 0.00 H new ATOM 0 HD21 LEU A 205 57.332 -2.525 6.889 1.00 0.00 H new ATOM 0 HD22 LEU A 205 58.727 -1.726 7.652 1.00 0.00 H new ATOM 0 HD23 LEU A 205 57.085 -1.087 7.908 1.00 0.00 H new ATOM 137 N THR A 206 60.851 2.985 7.460 1.00 0.00 N ATOM 138 CA THR A 206 61.657 4.096 7.088 1.00 0.00 C ATOM 139 C THR A 206 63.176 3.771 7.246 1.00 0.00 C ATOM 140 O THR A 206 64.009 4.248 6.458 1.00 0.00 O ATOM 141 CB THR A 206 61.245 5.318 7.928 1.00 0.00 C ATOM 142 OG1 THR A 206 59.834 5.546 7.743 1.00 0.00 O ATOM 143 CG2 THR A 206 61.998 6.548 7.503 1.00 0.00 C ATOM 0 H THR A 206 60.429 3.058 8.386 1.00 0.00 H new ATOM 0 HA THR A 206 61.496 4.323 6.034 1.00 0.00 H new ATOM 0 HB THR A 206 61.475 5.119 8.975 1.00 0.00 H new ATOM 0 HG1 THR A 206 59.556 6.321 8.274 1.00 0.00 H new ATOM 0 HG21 THR A 206 61.686 7.395 8.114 1.00 0.00 H new ATOM 0 HG22 THR A 206 63.068 6.382 7.632 1.00 0.00 H new ATOM 0 HG23 THR A 206 61.787 6.760 6.455 1.00 0.00 H new ATOM 151 N THR A 207 63.521 2.913 8.202 1.00 0.00 N ATOM 152 CA THR A 207 64.924 2.590 8.453 1.00 0.00 C ATOM 153 C THR A 207 65.174 1.063 8.487 1.00 0.00 C ATOM 154 O THR A 207 66.286 0.598 8.214 1.00 0.00 O ATOM 155 CB THR A 207 65.440 3.272 9.760 1.00 0.00 C ATOM 156 OG1 THR A 207 66.829 2.961 9.987 1.00 0.00 O ATOM 157 CG2 THR A 207 64.616 2.851 10.977 1.00 0.00 C ATOM 0 H THR A 207 62.857 2.433 8.810 1.00 0.00 H new ATOM 0 HA THR A 207 65.495 2.991 7.615 1.00 0.00 H new ATOM 0 HB THR A 207 65.331 4.348 9.625 1.00 0.00 H new ATOM 0 HG1 THR A 207 67.132 3.399 10.809 1.00 0.00 H new ATOM 0 HG21 THR A 207 65.004 3.345 11.868 1.00 0.00 H new ATOM 0 HG22 THR A 207 63.575 3.137 10.828 1.00 0.00 H new ATOM 0 HG23 THR A 207 64.681 1.770 11.104 1.00 0.00 H new ATOM 165 N GLN A 208 64.142 0.320 8.779 1.00 0.00 N ATOM 166 CA GLN A 208 64.167 -1.115 8.848 1.00 0.00 C ATOM 167 C GLN A 208 63.560 -1.645 7.584 1.00 0.00 C ATOM 168 O GLN A 208 62.538 -1.135 7.131 1.00 0.00 O ATOM 169 CB GLN A 208 63.340 -1.583 10.054 1.00 0.00 C ATOM 170 CG GLN A 208 63.991 -1.383 11.400 1.00 0.00 C ATOM 171 CD GLN A 208 65.081 -2.382 11.609 1.00 0.00 C ATOM 172 OE1 GLN A 208 66.243 -2.143 11.284 1.00 0.00 O ATOM 173 NE2 GLN A 208 64.715 -3.523 12.128 1.00 0.00 N ATOM 0 H GLN A 208 63.224 0.714 8.984 1.00 0.00 H new ATOM 0 HA GLN A 208 65.189 -1.477 8.960 1.00 0.00 H new ATOM 0 HB2 GLN A 208 62.387 -1.053 10.048 1.00 0.00 H new ATOM 0 HB3 GLN A 208 63.117 -2.643 9.931 1.00 0.00 H new ATOM 0 HG2 GLN A 208 64.397 -0.374 11.467 1.00 0.00 H new ATOM 0 HG3 GLN A 208 63.245 -1.480 12.189 1.00 0.00 H new ATOM 0 HE21 GLN A 208 63.740 -3.678 12.383 1.00 0.00 H new ATOM 0 HE22 GLN A 208 65.405 -4.259 12.278 1.00 0.00 H new ATOM 182 N CYS A 209 64.242 -2.607 6.994 1.00 0.00 N ATOM 183 CA CYS A 209 63.835 -3.310 5.785 1.00 0.00 C ATOM 184 C CYS A 209 62.355 -3.721 5.953 1.00 0.00 C ATOM 185 O CYS A 209 61.492 -3.077 5.465 1.00 0.00 O ATOM 186 CB CYS A 209 64.801 -4.552 5.605 1.00 0.00 C ATOM 187 SG CYS A 209 65.303 -5.047 3.918 1.00 0.00 S ATOM 0 H CYS A 209 65.136 -2.937 7.358 1.00 0.00 H new ATOM 0 HA CYS A 209 63.909 -2.694 4.889 1.00 0.00 H new ATOM 0 HB2 CYS A 209 65.709 -4.347 6.172 1.00 0.00 H new ATOM 0 HB3 CYS A 209 64.321 -5.412 6.071 1.00 0.00 H new ATOM 192 N GLY A 210 62.075 -4.734 6.681 1.00 0.00 N ATOM 193 CA GLY A 210 60.704 -5.097 6.905 1.00 0.00 C ATOM 194 C GLY A 210 60.058 -5.683 5.680 1.00 0.00 C ATOM 195 O GLY A 210 58.866 -5.851 5.623 1.00 0.00 O ATOM 0 H GLY A 210 62.764 -5.333 7.136 1.00 0.00 H new ATOM 0 HA2 GLY A 210 60.651 -5.818 7.721 1.00 0.00 H new ATOM 0 HA3 GLY A 210 60.145 -4.216 7.221 1.00 0.00 H new ATOM 199 N VAL A 211 60.873 -6.018 4.709 1.00 0.00 N ATOM 200 CA VAL A 211 60.392 -6.571 3.494 1.00 0.00 C ATOM 201 C VAL A 211 60.004 -8.007 3.684 1.00 0.00 C ATOM 202 O VAL A 211 60.744 -8.766 4.281 1.00 0.00 O ATOM 203 CB VAL A 211 61.447 -6.399 2.410 1.00 0.00 C ATOM 204 CG1 VAL A 211 62.767 -6.840 2.839 1.00 0.00 C ATOM 205 CG2 VAL A 211 61.047 -6.941 1.052 1.00 0.00 C ATOM 0 H VAL A 211 61.886 -5.910 4.752 1.00 0.00 H new ATOM 0 HA VAL A 211 59.493 -6.042 3.179 1.00 0.00 H new ATOM 0 HB VAL A 211 61.517 -5.322 2.256 1.00 0.00 H new ATOM 0 HG11 VAL A 211 63.480 -6.695 2.028 1.00 0.00 H new ATOM 0 HG12 VAL A 211 63.081 -6.259 3.706 1.00 0.00 H new ATOM 0 HG13 VAL A 211 62.729 -7.897 3.104 1.00 0.00 H new ATOM 0 HG21 VAL A 211 61.857 -6.776 0.341 1.00 0.00 H new ATOM 0 HG22 VAL A 211 60.846 -8.009 1.131 1.00 0.00 H new ATOM 0 HG23 VAL A 211 60.150 -6.428 0.705 1.00 0.00 H new ATOM 215 N ILE A 212 58.847 -8.338 3.227 1.00 0.00 N ATOM 216 CA ILE A 212 58.315 -9.649 3.376 1.00 0.00 C ATOM 217 C ILE A 212 58.827 -10.506 2.236 1.00 0.00 C ATOM 218 O ILE A 212 58.386 -10.365 1.092 1.00 0.00 O ATOM 219 CB ILE A 212 56.766 -9.599 3.369 1.00 0.00 C ATOM 220 CG1 ILE A 212 56.277 -8.595 4.430 1.00 0.00 C ATOM 221 CG2 ILE A 212 56.190 -10.986 3.653 1.00 0.00 C ATOM 222 CD1 ILE A 212 54.813 -8.226 4.316 1.00 0.00 C ATOM 0 H ILE A 212 58.232 -7.694 2.730 1.00 0.00 H new ATOM 0 HA ILE A 212 58.632 -10.077 4.327 1.00 0.00 H new ATOM 0 HB ILE A 212 56.425 -9.277 2.385 1.00 0.00 H new ATOM 0 HG12 ILE A 212 56.457 -9.015 5.420 1.00 0.00 H new ATOM 0 HG13 ILE A 212 56.875 -7.687 4.355 1.00 0.00 H new ATOM 0 HG21 ILE A 212 55.101 -10.936 3.645 1.00 0.00 H new ATOM 0 HG22 ILE A 212 56.527 -11.684 2.886 1.00 0.00 H new ATOM 0 HG23 ILE A 212 56.531 -11.328 4.630 1.00 0.00 H new ATOM 0 HD11 ILE A 212 54.555 -7.516 5.101 1.00 0.00 H new ATOM 0 HD12 ILE A 212 54.627 -7.774 3.342 1.00 0.00 H new ATOM 0 HD13 ILE A 212 54.202 -9.123 4.423 1.00 0.00 H new ATOM 234 N SER A 213 59.812 -11.328 2.538 1.00 0.00 N ATOM 235 CA SER A 213 60.413 -12.227 1.560 1.00 0.00 C ATOM 236 C SER A 213 59.367 -13.234 1.103 1.00 0.00 C ATOM 237 O SER A 213 59.279 -13.602 -0.074 1.00 0.00 O ATOM 238 CB SER A 213 61.553 -12.981 2.229 1.00 0.00 C ATOM 239 OG SER A 213 62.390 -13.643 1.282 1.00 0.00 O ATOM 0 H SER A 213 60.223 -11.395 3.469 1.00 0.00 H new ATOM 0 HA SER A 213 60.782 -11.658 0.707 1.00 0.00 H new ATOM 0 HB2 SER A 213 62.152 -12.285 2.816 1.00 0.00 H new ATOM 0 HB3 SER A 213 61.143 -13.714 2.924 1.00 0.00 H new ATOM 0 HG SER A 213 63.109 -14.113 1.753 1.00 0.00 H new ATOM 245 N GLU A 214 58.590 -13.653 2.053 1.00 0.00 N ATOM 246 CA GLU A 214 57.545 -14.602 1.896 1.00 0.00 C ATOM 247 C GLU A 214 56.744 -14.473 3.157 1.00 0.00 C ATOM 248 O GLU A 214 57.290 -13.994 4.160 1.00 0.00 O ATOM 249 CB GLU A 214 58.126 -16.013 1.777 1.00 0.00 C ATOM 250 CG GLU A 214 57.104 -17.095 1.506 1.00 0.00 C ATOM 251 CD GLU A 214 57.711 -18.461 1.505 1.00 0.00 C ATOM 252 OE1 GLU A 214 57.803 -19.073 2.589 1.00 0.00 O ATOM 253 OE2 GLU A 214 58.092 -18.954 0.438 1.00 0.00 O ATOM 0 H GLU A 214 58.678 -13.319 3.013 1.00 0.00 H new ATOM 0 HA GLU A 214 56.949 -14.430 1.000 1.00 0.00 H new ATOM 0 HB2 GLU A 214 58.865 -16.021 0.976 1.00 0.00 H new ATOM 0 HB3 GLU A 214 58.654 -16.253 2.700 1.00 0.00 H new ATOM 0 HG2 GLU A 214 56.320 -17.049 2.262 1.00 0.00 H new ATOM 0 HG3 GLU A 214 56.629 -16.910 0.542 1.00 0.00 H new ATOM 260 N HIS A 215 55.506 -14.892 3.137 1.00 0.00 N ATOM 261 CA HIS A 215 54.593 -14.743 4.279 1.00 0.00 C ATOM 262 C HIS A 215 55.123 -15.473 5.510 1.00 0.00 C ATOM 263 O HIS A 215 54.895 -15.049 6.642 1.00 0.00 O ATOM 264 CB HIS A 215 53.185 -15.251 3.918 1.00 0.00 C ATOM 265 CG HIS A 215 52.601 -14.585 2.702 1.00 0.00 C ATOM 266 ND1 HIS A 215 52.888 -14.800 1.398 1.00 0.00 N flip ATOM 267 CD2 HIS A 215 51.647 -13.593 2.796 1.00 0.00 C flip ATOM 268 CE1 HIS A 215 52.119 -13.942 0.679 1.00 0.00 C flip ATOM 269 NE2 HIS A 215 51.389 -13.233 1.544 1.00 0.00 N flip ATOM 0 H HIS A 215 55.084 -15.352 2.330 1.00 0.00 H new ATOM 0 HA HIS A 215 54.530 -13.681 4.518 1.00 0.00 H new ATOM 0 HB2 HIS A 215 53.228 -16.327 3.748 1.00 0.00 H new ATOM 0 HB3 HIS A 215 52.520 -15.089 4.766 1.00 0.00 H new ATOM 0 HD2 HIS A 215 51.204 -13.194 3.696 1.00 0.00 H new ATOM 0 HE1 HIS A 215 52.101 -13.850 -0.397 1.00 0.00 H new ATOM 0 HE2 HIS A 215 50.721 -12.510 1.278 1.00 0.00 H new ATOM 277 N THR A 216 55.854 -16.540 5.280 1.00 0.00 N ATOM 278 CA THR A 216 56.412 -17.305 6.357 1.00 0.00 C ATOM 279 C THR A 216 57.749 -16.696 6.871 1.00 0.00 C ATOM 280 O THR A 216 58.091 -16.860 8.038 1.00 0.00 O ATOM 281 CB THR A 216 56.583 -18.786 5.943 1.00 0.00 C ATOM 282 OG1 THR A 216 55.327 -19.269 5.430 1.00 0.00 O ATOM 283 CG2 THR A 216 56.967 -19.640 7.138 1.00 0.00 C ATOM 0 H THR A 216 56.073 -16.894 4.349 1.00 0.00 H new ATOM 0 HA THR A 216 55.710 -17.266 7.190 1.00 0.00 H new ATOM 0 HB THR A 216 57.369 -18.850 5.191 1.00 0.00 H new ATOM 0 HG1 THR A 216 55.422 -20.207 5.162 1.00 0.00 H new ATOM 0 HG21 THR A 216 57.082 -20.677 6.822 1.00 0.00 H new ATOM 0 HG22 THR A 216 57.908 -19.281 7.554 1.00 0.00 H new ATOM 0 HG23 THR A 216 56.187 -19.576 7.897 1.00 0.00 H new ATOM 291 N LYS A 217 58.493 -15.962 6.026 1.00 0.00 N ATOM 292 CA LYS A 217 59.726 -15.387 6.501 1.00 0.00 C ATOM 293 C LYS A 217 59.409 -14.073 7.172 1.00 0.00 C ATOM 294 O LYS A 217 60.090 -13.655 8.114 1.00 0.00 O ATOM 295 CB LYS A 217 60.717 -15.191 5.376 1.00 0.00 C ATOM 296 CG LYS A 217 62.108 -14.913 5.896 1.00 0.00 C ATOM 297 CD LYS A 217 63.124 -14.787 4.785 1.00 0.00 C ATOM 298 CE LYS A 217 63.288 -16.080 3.980 1.00 0.00 C ATOM 299 NZ LYS A 217 63.784 -17.209 4.805 1.00 0.00 N ATOM 0 H LYS A 217 58.261 -15.768 5.052 1.00 0.00 H new ATOM 0 HA LYS A 217 60.191 -16.068 7.214 1.00 0.00 H new ATOM 0 HB2 LYS A 217 60.735 -16.082 4.748 1.00 0.00 H new ATOM 0 HB3 LYS A 217 60.392 -14.363 4.746 1.00 0.00 H new ATOM 0 HG2 LYS A 217 62.097 -13.993 6.481 1.00 0.00 H new ATOM 0 HG3 LYS A 217 62.408 -15.716 6.570 1.00 0.00 H new ATOM 0 HD2 LYS A 217 62.824 -13.982 4.114 1.00 0.00 H new ATOM 0 HD3 LYS A 217 64.087 -14.505 5.210 1.00 0.00 H new ATOM 0 HE2 LYS A 217 62.329 -16.352 3.538 1.00 0.00 H new ATOM 0 HE3 LYS A 217 63.981 -15.905 3.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 217 64.006 -18.018 4.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 217 64.642 -16.916 5.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 217 63.052 -17.486 5.490 1.00 0.00 H new ATOM 313 N LYS A 218 58.354 -13.439 6.659 1.00 0.00 N ATOM 314 CA LYS A 218 57.769 -12.237 7.202 1.00 0.00 C ATOM 315 C LYS A 218 58.696 -11.042 6.919 1.00 0.00 C ATOM 316 O LYS A 218 59.519 -11.097 5.988 1.00 0.00 O ATOM 317 CB LYS A 218 57.450 -12.460 8.710 1.00 0.00 C ATOM 318 CG LYS A 218 56.339 -11.595 9.306 1.00 0.00 C ATOM 319 CD LYS A 218 55.986 -12.044 10.712 1.00 0.00 C ATOM 320 CE LYS A 218 55.231 -13.371 10.717 1.00 0.00 C ATOM 321 NZ LYS A 218 53.913 -13.266 10.048 1.00 0.00 N ATOM 0 H LYS A 218 57.874 -13.770 5.822 1.00 0.00 H new ATOM 0 HA LYS A 218 56.820 -12.001 6.720 1.00 0.00 H new ATOM 0 HB2 LYS A 218 57.180 -13.507 8.851 1.00 0.00 H new ATOM 0 HB3 LYS A 218 58.362 -12.286 9.281 1.00 0.00 H new ATOM 0 HG2 LYS A 218 56.657 -10.552 9.324 1.00 0.00 H new ATOM 0 HG3 LYS A 218 55.454 -11.648 8.672 1.00 0.00 H new ATOM 0 HD2 LYS A 218 56.898 -12.144 11.300 1.00 0.00 H new ATOM 0 HD3 LYS A 218 55.378 -11.279 11.195 1.00 0.00 H new ATOM 0 HE2 LYS A 218 55.831 -14.131 10.217 1.00 0.00 H new ATOM 0 HE3 LYS A 218 55.089 -13.703 11.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 53.322 -14.078 10.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 53.445 -12.385 10.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 54.047 -13.261 9.017 1.00 0.00 H new ATOM 335 N MET A 219 58.540 -9.998 7.679 1.00 0.00 N ATOM 336 CA MET A 219 59.241 -8.753 7.504 1.00 0.00 C ATOM 337 C MET A 219 60.711 -8.909 7.820 1.00 0.00 C ATOM 338 O MET A 219 61.088 -9.536 8.821 1.00 0.00 O ATOM 339 CB MET A 219 58.614 -7.698 8.408 1.00 0.00 C ATOM 340 CG MET A 219 57.191 -7.420 8.124 1.00 0.00 C ATOM 341 SD MET A 219 56.422 -6.497 9.463 1.00 0.00 S ATOM 342 CE MET A 219 57.282 -4.939 9.344 1.00 0.00 C ATOM 0 H MET A 219 57.896 -9.987 8.470 1.00 0.00 H new ATOM 0 HA MET A 219 59.157 -8.442 6.463 1.00 0.00 H new ATOM 0 HB2 MET A 219 58.709 -8.022 9.444 1.00 0.00 H new ATOM 0 HB3 MET A 219 59.179 -6.771 8.311 1.00 0.00 H new ATOM 0 HG2 MET A 219 57.107 -6.855 7.196 1.00 0.00 H new ATOM 0 HG3 MET A 219 56.658 -8.359 7.975 1.00 0.00 H new ATOM 0 HE1 MET A 219 56.797 -4.205 9.988 1.00 0.00 H new ATOM 0 HE2 MET A 219 58.317 -5.070 9.659 1.00 0.00 H new ATOM 0 HE3 MET A 219 57.259 -4.588 8.312 1.00 0.00 H new ATOM 352 N CYS A 220 61.531 -8.358 6.960 1.00 0.00 N ATOM 353 CA CYS A 220 62.966 -8.426 7.109 1.00 0.00 C ATOM 354 C CYS A 220 63.469 -7.488 8.249 1.00 0.00 C ATOM 355 O CYS A 220 62.883 -6.463 8.485 1.00 0.00 O ATOM 356 CB CYS A 220 63.582 -8.073 5.790 1.00 0.00 C ATOM 357 SG CYS A 220 65.303 -8.263 5.767 1.00 0.00 S ATOM 0 H CYS A 220 61.222 -7.847 6.133 1.00 0.00 H new ATOM 0 HA CYS A 220 63.262 -9.435 7.397 1.00 0.00 H new ATOM 0 HB2 CYS A 220 63.144 -8.699 5.013 1.00 0.00 H new ATOM 0 HB3 CYS A 220 63.334 -7.040 5.545 1.00 0.00 H new ATOM 362 N THR A 221 64.570 -7.812 8.899 1.00 0.00 N ATOM 363 CA THR A 221 64.977 -7.055 10.098 1.00 0.00 C ATOM 364 C THR A 221 66.204 -6.133 9.946 1.00 0.00 C ATOM 365 O THR A 221 66.421 -5.265 10.785 1.00 0.00 O ATOM 366 CB THR A 221 65.169 -8.016 11.249 1.00 0.00 C ATOM 367 OG1 THR A 221 66.021 -9.082 10.799 1.00 0.00 O ATOM 368 CG2 THR A 221 63.822 -8.573 11.658 1.00 0.00 C ATOM 0 H THR A 221 65.195 -8.574 8.636 1.00 0.00 H new ATOM 0 HA THR A 221 64.160 -6.359 10.287 1.00 0.00 H new ATOM 0 HB THR A 221 65.620 -7.512 12.104 1.00 0.00 H new ATOM 0 HG1 THR A 221 66.162 -9.719 11.530 1.00 0.00 H new ATOM 0 HG21 THR A 221 63.952 -9.267 12.488 1.00 0.00 H new ATOM 0 HG22 THR A 221 63.169 -7.757 11.967 1.00 0.00 H new ATOM 0 HG23 THR A 221 63.373 -9.097 10.814 1.00 0.00 H new ATOM 376 N ARG A 222 67.035 -6.330 8.937 1.00 0.00 N ATOM 377 CA ARG A 222 68.120 -5.366 8.693 1.00 0.00 C ATOM 378 C ARG A 222 67.568 -4.091 8.080 1.00 0.00 C ATOM 379 O ARG A 222 66.367 -3.950 7.939 1.00 0.00 O ATOM 380 CB ARG A 222 69.211 -5.963 7.808 1.00 0.00 C ATOM 381 CG ARG A 222 70.006 -7.075 8.484 1.00 0.00 C ATOM 382 CD ARG A 222 71.139 -7.572 7.597 1.00 0.00 C ATOM 383 NE ARG A 222 71.980 -8.572 8.267 1.00 0.00 N ATOM 384 CZ ARG A 222 73.059 -9.161 7.720 1.00 0.00 C ATOM 385 NH1 ARG A 222 73.364 -8.955 6.441 1.00 0.00 N ATOM 386 NH2 ARG A 222 73.805 -9.974 8.453 1.00 0.00 N ATOM 0 H ARG A 222 66.993 -7.116 8.288 1.00 0.00 H new ATOM 0 HA ARG A 222 68.574 -5.123 9.654 1.00 0.00 H new ATOM 0 HB2 ARG A 222 68.755 -6.355 6.899 1.00 0.00 H new ATOM 0 HB3 ARG A 222 69.896 -5.171 7.506 1.00 0.00 H new ATOM 0 HG2 ARG A 222 70.414 -6.710 9.427 1.00 0.00 H new ATOM 0 HG3 ARG A 222 69.341 -7.904 8.725 1.00 0.00 H new ATOM 0 HD2 ARG A 222 70.721 -8.004 6.687 1.00 0.00 H new ATOM 0 HD3 ARG A 222 71.757 -6.727 7.294 1.00 0.00 H new ATOM 0 HE ARG A 222 71.727 -8.840 9.218 1.00 0.00 H new ATOM 0 HH11 ARG A 222 72.778 -8.347 5.869 1.00 0.00 H new ATOM 0 HH12 ARG A 222 74.184 -9.405 6.033 1.00 0.00 H new ATOM 0 HH21 ARG A 222 73.560 -10.151 9.427 1.00 0.00 H new ATOM 0 HH22 ARG A 222 74.624 -10.423 8.043 1.00 0.00 H new ATOM 400 N SER A 223 68.427 -3.180 7.730 1.00 0.00 N ATOM 401 CA SER A 223 68.038 -1.949 7.080 1.00 0.00 C ATOM 402 C SER A 223 67.457 -2.235 5.665 1.00 0.00 C ATOM 403 O SER A 223 67.507 -3.357 5.202 1.00 0.00 O ATOM 404 CB SER A 223 69.246 -1.051 7.050 1.00 0.00 C ATOM 405 OG SER A 223 69.663 -0.761 8.381 1.00 0.00 O ATOM 0 H SER A 223 69.431 -3.265 7.887 1.00 0.00 H new ATOM 0 HA SER A 223 67.240 -1.447 7.628 1.00 0.00 H new ATOM 0 HB2 SER A 223 70.056 -1.533 6.502 1.00 0.00 H new ATOM 0 HB3 SER A 223 69.011 -0.126 6.523 1.00 0.00 H new ATOM 0 HG SER A 223 70.450 -0.178 8.357 1.00 0.00 H new ATOM 411 N LEU A 224 66.903 -1.245 5.003 1.00 0.00 N ATOM 412 CA LEU A 224 66.178 -1.441 3.718 1.00 0.00 C ATOM 413 C LEU A 224 67.063 -2.039 2.641 1.00 0.00 C ATOM 414 O LEU A 224 66.693 -3.028 1.991 1.00 0.00 O ATOM 415 CB LEU A 224 65.661 -0.135 3.210 1.00 0.00 C ATOM 416 CG LEU A 224 65.387 0.981 4.203 1.00 0.00 C ATOM 417 CD1 LEU A 224 64.950 2.168 3.451 1.00 0.00 C ATOM 418 CD2 LEU A 224 64.284 0.588 5.145 1.00 0.00 C ATOM 0 H LEU A 224 66.929 -0.275 5.319 1.00 0.00 H new ATOM 0 HA LEU A 224 65.361 -2.131 3.929 1.00 0.00 H new ATOM 0 HB2 LEU A 224 66.377 0.242 2.480 1.00 0.00 H new ATOM 0 HB3 LEU A 224 64.733 -0.334 2.673 1.00 0.00 H new ATOM 0 HG LEU A 224 66.292 1.183 4.776 1.00 0.00 H new ATOM 0 HD11 LEU A 224 64.747 2.984 4.145 1.00 0.00 H new ATOM 0 HD12 LEU A 224 65.735 2.468 2.757 1.00 0.00 H new ATOM 0 HD13 LEU A 224 64.044 1.932 2.893 1.00 0.00 H new ATOM 0 HD21 LEU A 224 64.101 1.399 5.850 1.00 0.00 H new ATOM 0 HD22 LEU A 224 63.375 0.388 4.578 1.00 0.00 H new ATOM 0 HD23 LEU A 224 64.575 -0.309 5.692 1.00 0.00 H new ATOM 430 N ARG A 225 68.244 -1.488 2.523 1.00 0.00 N ATOM 431 CA ARG A 225 69.230 -1.831 1.508 1.00 0.00 C ATOM 432 C ARG A 225 69.868 -3.218 1.757 1.00 0.00 C ATOM 433 O ARG A 225 70.558 -3.753 0.891 1.00 0.00 O ATOM 434 CB ARG A 225 70.306 -0.757 1.553 1.00 0.00 C ATOM 435 CG ARG A 225 71.443 -0.978 0.615 1.00 0.00 C ATOM 436 CD ARG A 225 71.046 -0.741 -0.839 1.00 0.00 C ATOM 437 NE ARG A 225 70.705 0.662 -1.102 1.00 0.00 N ATOM 438 CZ ARG A 225 69.985 1.102 -2.140 1.00 0.00 C ATOM 439 NH1 ARG A 225 69.435 0.240 -2.986 1.00 0.00 N ATOM 440 NH2 ARG A 225 69.815 2.405 -2.325 1.00 0.00 N ATOM 0 H ARG A 225 68.567 -0.755 3.155 1.00 0.00 H new ATOM 0 HA ARG A 225 68.744 -1.880 0.534 1.00 0.00 H new ATOM 0 HB2 ARG A 225 69.849 0.207 1.328 1.00 0.00 H new ATOM 0 HB3 ARG A 225 70.697 -0.695 2.569 1.00 0.00 H new ATOM 0 HG2 ARG A 225 72.264 -0.311 0.879 1.00 0.00 H new ATOM 0 HG3 ARG A 225 71.812 -1.998 0.728 1.00 0.00 H new ATOM 0 HD2 ARG A 225 71.866 -1.041 -1.491 1.00 0.00 H new ATOM 0 HD3 ARG A 225 70.193 -1.373 -1.088 1.00 0.00 H new ATOM 0 HE ARG A 225 71.045 1.359 -0.439 1.00 0.00 H new ATOM 0 HH11 ARG A 225 69.560 -0.763 -2.846 1.00 0.00 H new ATOM 0 HH12 ARG A 225 68.887 0.580 -3.776 1.00 0.00 H new ATOM 0 HH21 ARG A 225 70.233 3.071 -1.676 1.00 0.00 H new ATOM 0 HH22 ARG A 225 69.266 2.740 -3.117 1.00 0.00 H new ATOM 454 N CYS A 226 69.542 -3.791 2.900 1.00 0.00 N ATOM 455 CA CYS A 226 70.075 -5.039 3.437 1.00 0.00 C ATOM 456 C CYS A 226 70.718 -6.077 2.425 1.00 0.00 C ATOM 457 O CYS A 226 71.908 -6.345 2.520 1.00 0.00 O ATOM 458 CB CYS A 226 68.956 -5.565 4.285 1.00 0.00 C ATOM 459 SG CYS A 226 68.506 -7.234 4.212 1.00 0.00 S ATOM 0 H CYS A 226 68.852 -3.373 3.523 1.00 0.00 H new ATOM 0 HA CYS A 226 70.985 -4.845 4.005 1.00 0.00 H new ATOM 0 HB2 CYS A 226 69.208 -5.345 5.322 1.00 0.00 H new ATOM 0 HB3 CYS A 226 68.068 -4.982 4.043 1.00 0.00 H new ATOM 464 N PRO A 227 69.973 -6.649 1.464 1.00 0.00 N ATOM 465 CA PRO A 227 70.482 -7.655 0.541 1.00 0.00 C ATOM 466 C PRO A 227 70.468 -7.132 -0.923 1.00 0.00 C ATOM 467 O PRO A 227 71.402 -6.471 -1.367 1.00 0.00 O ATOM 468 CB PRO A 227 69.398 -8.721 0.737 1.00 0.00 C ATOM 469 CG PRO A 227 68.196 -7.903 1.150 1.00 0.00 C ATOM 470 CD PRO A 227 68.613 -6.467 1.203 1.00 0.00 C ATOM 0 HA PRO A 227 71.509 -7.975 0.715 1.00 0.00 H new ATOM 0 HB2 PRO A 227 69.211 -9.281 -0.179 1.00 0.00 H new ATOM 0 HB3 PRO A 227 69.677 -9.446 1.502 1.00 0.00 H new ATOM 0 HG2 PRO A 227 67.381 -8.037 0.439 1.00 0.00 H new ATOM 0 HG3 PRO A 227 67.828 -8.230 2.123 1.00 0.00 H new ATOM 0 HD2 PRO A 227 68.430 -5.940 0.267 1.00 0.00 H new ATOM 0 HD3 PRO A 227 68.104 -5.908 1.988 1.00 0.00 H new ATOM 478 N GLN A 228 69.370 -7.424 -1.628 1.00 0.00 N ATOM 479 CA GLN A 228 69.081 -6.907 -2.914 1.00 0.00 C ATOM 480 C GLN A 228 67.584 -6.545 -2.876 1.00 0.00 C ATOM 481 O GLN A 228 66.923 -6.417 -3.885 1.00 0.00 O ATOM 482 CB GLN A 228 69.375 -7.954 -3.988 1.00 0.00 C ATOM 483 CG GLN A 228 69.286 -7.428 -5.411 1.00 0.00 C ATOM 484 CD GLN A 228 69.488 -8.500 -6.448 1.00 0.00 C ATOM 485 OE1 GLN A 228 70.204 -9.477 -6.229 1.00 0.00 O ATOM 486 NE2 GLN A 228 68.845 -8.347 -7.567 1.00 0.00 N ATOM 0 H GLN A 228 68.648 -8.054 -1.280 1.00 0.00 H new ATOM 0 HA GLN A 228 69.693 -6.039 -3.159 1.00 0.00 H new ATOM 0 HB2 GLN A 228 70.374 -8.357 -3.823 1.00 0.00 H new ATOM 0 HB3 GLN A 228 68.675 -8.782 -3.874 1.00 0.00 H new ATOM 0 HG2 GLN A 228 68.311 -6.964 -5.561 1.00 0.00 H new ATOM 0 HG3 GLN A 228 70.035 -6.648 -5.552 1.00 0.00 H new ATOM 0 HE21 GLN A 228 68.261 -7.523 -7.711 1.00 0.00 H new ATOM 0 HE22 GLN A 228 68.924 -9.051 -8.301 1.00 0.00 H new ATOM 495 N HIS A 229 67.053 -6.437 -1.637 1.00 0.00 N ATOM 496 CA HIS A 229 65.713 -5.982 -1.404 1.00 0.00 C ATOM 497 C HIS A 229 65.597 -4.553 -1.971 1.00 0.00 C ATOM 498 O HIS A 229 66.195 -3.611 -1.462 1.00 0.00 O ATOM 499 CB HIS A 229 65.283 -6.071 0.113 1.00 0.00 C ATOM 500 CG HIS A 229 65.034 -7.544 0.698 1.00 0.00 C ATOM 501 ND1 HIS A 229 65.391 -8.089 2.071 1.00 0.00 N ATOM 502 CD2 HIS A 229 64.266 -8.478 0.115 1.00 0.00 C ATOM 503 CE1 HIS A 229 64.759 -9.217 2.126 1.00 0.00 C ATOM 504 NE2 HIS A 229 64.099 -9.513 0.996 1.00 0.00 N ATOM 0 H HIS A 229 67.564 -6.670 -0.785 1.00 0.00 H new ATOM 0 HA HIS A 229 65.013 -6.642 -1.917 1.00 0.00 H new ATOM 0 HB2 HIS A 229 66.053 -5.590 0.715 1.00 0.00 H new ATOM 0 HB3 HIS A 229 64.369 -5.492 0.244 1.00 0.00 H new ATOM 0 HD2 HIS A 229 63.850 -8.423 -0.880 1.00 0.00 H new ATOM 0 HE1 HIS A 229 64.763 -9.857 2.996 1.00 0.00 H new ATOM 0 HE2 HIS A 229 63.564 -10.364 0.823 1.00 0.00 H new ATOM 512 N THR A 230 64.858 -4.468 -3.021 1.00 0.00 N ATOM 513 CA THR A 230 64.741 -3.307 -3.920 1.00 0.00 C ATOM 514 C THR A 230 63.683 -2.333 -3.488 1.00 0.00 C ATOM 515 O THR A 230 62.948 -2.604 -2.561 1.00 0.00 O ATOM 516 CB THR A 230 64.341 -3.806 -5.320 1.00 0.00 C ATOM 517 OG1 THR A 230 63.195 -4.655 -5.192 1.00 0.00 O ATOM 518 CG2 THR A 230 65.440 -4.592 -5.951 1.00 0.00 C ATOM 0 H THR A 230 64.268 -5.245 -3.320 1.00 0.00 H new ATOM 0 HA THR A 230 65.706 -2.801 -3.907 1.00 0.00 H new ATOM 0 HB THR A 230 64.127 -2.940 -5.947 1.00 0.00 H new ATOM 0 HG1 THR A 230 63.481 -5.551 -4.915 1.00 0.00 H new ATOM 0 HG21 THR A 230 65.125 -4.930 -6.938 1.00 0.00 H new ATOM 0 HG22 THR A 230 66.327 -3.965 -6.047 1.00 0.00 H new ATOM 0 HG23 THR A 230 65.673 -5.456 -5.329 1.00 0.00 H new ATOM 526 N ASP A 231 63.581 -1.217 -4.217 1.00 0.00 N ATOM 527 CA ASP A 231 62.556 -0.199 -3.986 1.00 0.00 C ATOM 528 C ASP A 231 61.185 -0.795 -4.039 1.00 0.00 C ATOM 529 O ASP A 231 60.365 -0.499 -3.204 1.00 0.00 O ATOM 530 CB ASP A 231 62.628 0.927 -5.012 1.00 0.00 C ATOM 531 CG ASP A 231 61.433 1.879 -4.908 1.00 0.00 C ATOM 532 OD1 ASP A 231 61.441 2.776 -4.040 1.00 0.00 O ATOM 533 OD2 ASP A 231 60.459 1.738 -5.702 1.00 0.00 O ATOM 0 H ASP A 231 64.211 -0.995 -4.988 1.00 0.00 H new ATOM 0 HA ASP A 231 62.749 0.209 -2.994 1.00 0.00 H new ATOM 0 HB2 ASP A 231 63.551 1.488 -4.869 1.00 0.00 H new ATOM 0 HB3 ASP A 231 62.665 0.501 -6.015 1.00 0.00 H new ATOM 538 N GLU A 232 60.966 -1.695 -4.988 1.00 0.00 N ATOM 539 CA GLU A 232 59.656 -2.313 -5.173 1.00 0.00 C ATOM 540 C GLU A 232 59.313 -3.087 -3.923 1.00 0.00 C ATOM 541 O GLU A 232 58.204 -3.063 -3.432 1.00 0.00 O ATOM 542 CB GLU A 232 59.662 -3.288 -6.346 1.00 0.00 C ATOM 543 CG GLU A 232 60.395 -2.818 -7.585 1.00 0.00 C ATOM 544 CD GLU A 232 61.833 -3.180 -7.550 1.00 0.00 C ATOM 545 OE1 GLU A 232 62.146 -4.375 -7.611 1.00 0.00 O ATOM 546 OE2 GLU A 232 62.678 -2.279 -7.401 1.00 0.00 O ATOM 0 H GLU A 232 61.679 -2.015 -5.644 1.00 0.00 H new ATOM 0 HA GLU A 232 58.929 -1.526 -5.373 1.00 0.00 H new ATOM 0 HB2 GLU A 232 60.110 -4.225 -6.014 1.00 0.00 H new ATOM 0 HB3 GLU A 232 58.630 -3.507 -6.618 1.00 0.00 H new ATOM 0 HG2 GLU A 232 59.932 -3.257 -8.469 1.00 0.00 H new ATOM 0 HG3 GLU A 232 60.295 -1.736 -7.677 1.00 0.00 H new ATOM 553 N GLN A 233 60.322 -3.714 -3.409 1.00 0.00 N ATOM 554 CA GLN A 233 60.279 -4.521 -2.213 1.00 0.00 C ATOM 555 C GLN A 233 60.108 -3.660 -0.968 1.00 0.00 C ATOM 556 O GLN A 233 59.506 -4.070 0.032 1.00 0.00 O ATOM 557 CB GLN A 233 61.543 -5.365 -2.136 1.00 0.00 C ATOM 558 CG GLN A 233 61.596 -6.419 -3.224 1.00 0.00 C ATOM 559 CD GLN A 233 62.778 -7.328 -3.140 1.00 0.00 C ATOM 560 OE1 GLN A 233 63.777 -7.009 -3.878 1.00 0.00 O flip ATOM 561 NE2 GLN A 233 62.760 -8.347 -2.468 1.00 0.00 N flip ATOM 0 H GLN A 233 61.251 -3.681 -3.828 1.00 0.00 H new ATOM 0 HA GLN A 233 59.413 -5.181 -2.259 1.00 0.00 H new ATOM 0 HB2 GLN A 233 62.416 -4.717 -2.218 1.00 0.00 H new ATOM 0 HB3 GLN A 233 61.595 -5.849 -1.161 1.00 0.00 H new ATOM 0 HG2 GLN A 233 60.687 -7.019 -3.178 1.00 0.00 H new ATOM 0 HG3 GLN A 233 61.602 -5.923 -4.195 1.00 0.00 H new ATOM 0 HE21 GLN A 233 61.946 -8.565 -1.894 1.00 0.00 H new ATOM 0 HE22 GLN A 233 63.559 -8.980 -2.481 1.00 0.00 H new ATOM 570 N ARG A 234 60.666 -2.494 -1.022 1.00 0.00 N ATOM 571 CA ARG A 234 60.589 -1.555 0.058 1.00 0.00 C ATOM 572 C ARG A 234 59.230 -0.893 0.095 1.00 0.00 C ATOM 573 O ARG A 234 58.625 -0.708 1.155 1.00 0.00 O ATOM 574 CB ARG A 234 61.750 -0.546 -0.039 1.00 0.00 C ATOM 575 CG ARG A 234 63.138 -1.213 0.000 1.00 0.00 C ATOM 576 CD ARG A 234 63.506 -1.550 1.374 1.00 0.00 C ATOM 577 NE ARG A 234 62.713 -2.574 1.891 1.00 0.00 N ATOM 578 CZ ARG A 234 61.729 -2.353 2.752 1.00 0.00 C ATOM 579 NH1 ARG A 234 61.738 -1.234 3.495 1.00 0.00 N ATOM 580 NH2 ARG A 234 60.705 -3.209 2.838 1.00 0.00 N ATOM 0 H ARG A 234 61.196 -2.159 -1.827 1.00 0.00 H new ATOM 0 HA ARG A 234 60.699 -2.079 1.007 1.00 0.00 H new ATOM 0 HB2 ARG A 234 61.653 0.022 -0.964 1.00 0.00 H new ATOM 0 HB3 ARG A 234 61.673 0.167 0.782 1.00 0.00 H new ATOM 0 HG2 ARG A 234 63.132 -2.115 -0.613 1.00 0.00 H new ATOM 0 HG3 ARG A 234 63.883 -0.542 -0.428 1.00 0.00 H new ATOM 0 HD2 ARG A 234 64.553 -1.851 1.405 1.00 0.00 H new ATOM 0 HD3 ARG A 234 63.410 -0.665 2.003 1.00 0.00 H new ATOM 0 HE ARG A 234 62.897 -3.532 1.595 1.00 0.00 H new ATOM 0 HH11 ARG A 234 62.498 -0.561 3.395 1.00 0.00 H new ATOM 0 HH12 ARG A 234 60.985 -1.057 4.159 1.00 0.00 H new ATOM 0 HH21 ARG A 234 60.679 -4.035 2.240 1.00 0.00 H new ATOM 0 HH22 ARG A 234 59.950 -3.036 3.501 1.00 0.00 H new ATOM 594 N ARG A 235 58.753 -0.612 -1.057 1.00 0.00 N ATOM 595 CA ARG A 235 57.485 -0.002 -1.279 1.00 0.00 C ATOM 596 C ARG A 235 56.315 -0.965 -1.039 1.00 0.00 C ATOM 597 O ARG A 235 55.381 -0.628 -0.299 1.00 0.00 O ATOM 598 CB ARG A 235 57.507 0.548 -2.689 1.00 0.00 C ATOM 599 CG ARG A 235 56.192 0.946 -3.286 1.00 0.00 C ATOM 600 CD ARG A 235 56.435 1.882 -4.440 1.00 0.00 C ATOM 601 NE ARG A 235 57.473 1.408 -5.382 1.00 0.00 N ATOM 602 CZ ARG A 235 57.281 1.109 -6.658 1.00 0.00 C ATOM 603 NH1 ARG A 235 56.056 0.979 -7.140 1.00 0.00 N ATOM 604 NH2 ARG A 235 58.331 0.908 -7.443 1.00 0.00 N ATOM 0 H ARG A 235 59.258 -0.809 -1.921 1.00 0.00 H new ATOM 0 HA ARG A 235 57.320 0.801 -0.561 1.00 0.00 H new ATOM 0 HB2 ARG A 235 58.162 1.419 -2.702 1.00 0.00 H new ATOM 0 HB3 ARG A 235 57.960 -0.202 -3.338 1.00 0.00 H new ATOM 0 HG2 ARG A 235 55.651 0.063 -3.626 1.00 0.00 H new ATOM 0 HG3 ARG A 235 55.569 1.431 -2.534 1.00 0.00 H new ATOM 0 HD2 ARG A 235 55.501 2.024 -4.984 1.00 0.00 H new ATOM 0 HD3 ARG A 235 56.728 2.857 -4.050 1.00 0.00 H new ATOM 0 HE ARG A 235 58.419 1.302 -5.017 1.00 0.00 H new ATOM 0 HH11 ARG A 235 55.251 1.109 -6.528 1.00 0.00 H new ATOM 0 HH12 ARG A 235 55.917 0.749 -8.124 1.00 0.00 H new ATOM 0 HH21 ARG A 235 59.274 0.984 -7.062 1.00 0.00 H new ATOM 0 HH22 ARG A 235 58.195 0.677 -8.427 1.00 0.00 H new ATOM 618 N THR A 236 56.412 -2.166 -1.590 1.00 0.00 N ATOM 619 CA THR A 236 55.345 -3.166 -1.567 1.00 0.00 C ATOM 620 C THR A 236 54.841 -3.481 -0.147 1.00 0.00 C ATOM 621 O THR A 236 53.671 -3.753 0.050 1.00 0.00 O ATOM 622 CB THR A 236 55.794 -4.475 -2.289 1.00 0.00 C ATOM 623 OG1 THR A 236 54.659 -5.283 -2.614 1.00 0.00 O ATOM 624 CG2 THR A 236 56.744 -5.294 -1.420 1.00 0.00 C ATOM 0 H THR A 236 57.251 -2.483 -2.077 1.00 0.00 H new ATOM 0 HA THR A 236 54.506 -2.729 -2.107 1.00 0.00 H new ATOM 0 HB THR A 236 56.313 -4.177 -3.200 1.00 0.00 H new ATOM 0 HG1 THR A 236 54.957 -6.099 -3.067 1.00 0.00 H new ATOM 0 HG21 THR A 236 57.037 -6.198 -1.953 1.00 0.00 H new ATOM 0 HG22 THR A 236 57.631 -4.703 -1.194 1.00 0.00 H new ATOM 0 HG23 THR A 236 56.243 -5.567 -0.491 1.00 0.00 H new ATOM 632 N VAL A 237 55.714 -3.390 0.826 1.00 0.00 N ATOM 633 CA VAL A 237 55.369 -3.723 2.181 1.00 0.00 C ATOM 634 C VAL A 237 54.601 -2.602 2.874 1.00 0.00 C ATOM 635 O VAL A 237 53.710 -2.855 3.674 1.00 0.00 O ATOM 636 CB VAL A 237 56.623 -4.160 2.964 1.00 0.00 C ATOM 637 CG1 VAL A 237 56.377 -4.263 4.442 1.00 0.00 C ATOM 638 CG2 VAL A 237 57.091 -5.487 2.430 1.00 0.00 C ATOM 0 H VAL A 237 56.679 -3.084 0.699 1.00 0.00 H new ATOM 0 HA VAL A 237 54.686 -4.572 2.157 1.00 0.00 H new ATOM 0 HB VAL A 237 57.387 -3.395 2.825 1.00 0.00 H new ATOM 0 HG11 VAL A 237 57.294 -4.574 4.943 1.00 0.00 H new ATOM 0 HG12 VAL A 237 56.065 -3.292 4.827 1.00 0.00 H new ATOM 0 HG13 VAL A 237 55.594 -4.997 4.630 1.00 0.00 H new ATOM 0 HG21 VAL A 237 57.978 -5.807 2.977 1.00 0.00 H new ATOM 0 HG22 VAL A 237 56.302 -6.228 2.554 1.00 0.00 H new ATOM 0 HG23 VAL A 237 57.333 -5.389 1.372 1.00 0.00 H new ATOM 648 N ARG A 238 54.876 -1.388 2.485 1.00 0.00 N ATOM 649 CA ARG A 238 54.212 -0.229 3.077 1.00 0.00 C ATOM 650 C ARG A 238 52.845 -0.179 2.500 1.00 0.00 C ATOM 651 O ARG A 238 51.863 0.031 3.177 1.00 0.00 O ATOM 652 CB ARG A 238 54.960 1.044 2.725 1.00 0.00 C ATOM 653 CG ARG A 238 56.277 1.236 3.434 1.00 0.00 C ATOM 654 CD ARG A 238 57.197 2.054 2.571 1.00 0.00 C ATOM 655 NE ARG A 238 58.364 2.584 3.271 1.00 0.00 N ATOM 656 CZ ARG A 238 59.448 3.089 2.661 1.00 0.00 C ATOM 657 NH1 ARG A 238 59.494 3.172 1.334 1.00 0.00 N ATOM 658 NH2 ARG A 238 60.471 3.512 3.379 1.00 0.00 N ATOM 0 H ARG A 238 55.556 -1.161 1.759 1.00 0.00 H new ATOM 0 HA ARG A 238 54.184 -0.313 4.163 1.00 0.00 H new ATOM 0 HB2 ARG A 238 55.140 1.054 1.650 1.00 0.00 H new ATOM 0 HB3 ARG A 238 54.318 1.896 2.949 1.00 0.00 H new ATOM 0 HG2 ARG A 238 56.118 1.735 4.390 1.00 0.00 H new ATOM 0 HG3 ARG A 238 56.730 0.268 3.651 1.00 0.00 H new ATOM 0 HD2 ARG A 238 57.536 1.439 1.737 1.00 0.00 H new ATOM 0 HD3 ARG A 238 56.634 2.885 2.146 1.00 0.00 H new ATOM 0 HE ARG A 238 58.355 2.570 4.291 1.00 0.00 H new ATOM 0 HH11 ARG A 238 58.703 2.851 0.775 1.00 0.00 H new ATOM 0 HH12 ARG A 238 60.320 3.557 0.875 1.00 0.00 H new ATOM 0 HH21 ARG A 238 60.438 3.455 4.397 1.00 0.00 H new ATOM 0 HH22 ARG A 238 61.295 3.896 2.916 1.00 0.00 H new ATOM 672 N VAL A 239 52.820 -0.430 1.236 1.00 0.00 N ATOM 673 CA VAL A 239 51.663 -0.499 0.459 1.00 0.00 C ATOM 674 C VAL A 239 50.742 -1.641 0.949 1.00 0.00 C ATOM 675 O VAL A 239 49.513 -1.517 0.944 1.00 0.00 O ATOM 676 CB VAL A 239 52.130 -0.668 -0.998 1.00 0.00 C ATOM 677 CG1 VAL A 239 51.106 -1.285 -1.845 1.00 0.00 C ATOM 678 CG2 VAL A 239 52.559 0.673 -1.567 1.00 0.00 C ATOM 0 H VAL A 239 53.669 -0.601 0.698 1.00 0.00 H new ATOM 0 HA VAL A 239 51.056 0.403 0.541 1.00 0.00 H new ATOM 0 HB VAL A 239 52.983 -1.346 -0.991 1.00 0.00 H new ATOM 0 HG11 VAL A 239 51.485 -1.382 -2.862 1.00 0.00 H new ATOM 0 HG12 VAL A 239 50.858 -2.272 -1.455 1.00 0.00 H new ATOM 0 HG13 VAL A 239 50.212 -0.661 -1.849 1.00 0.00 H new ATOM 0 HG21 VAL A 239 52.888 0.542 -2.598 1.00 0.00 H new ATOM 0 HG22 VAL A 239 51.718 1.366 -1.539 1.00 0.00 H new ATOM 0 HG23 VAL A 239 53.380 1.075 -0.973 1.00 0.00 H new ATOM 688 N TYR A 240 51.344 -2.723 1.381 1.00 0.00 N ATOM 689 CA TYR A 240 50.602 -3.840 1.919 1.00 0.00 C ATOM 690 C TYR A 240 50.071 -3.528 3.341 1.00 0.00 C ATOM 691 O TYR A 240 48.880 -3.626 3.601 1.00 0.00 O ATOM 692 CB TYR A 240 51.532 -5.059 1.949 1.00 0.00 C ATOM 693 CG TYR A 240 50.923 -6.314 2.492 1.00 0.00 C ATOM 694 CD1 TYR A 240 50.990 -6.596 3.840 1.00 0.00 C ATOM 695 CD2 TYR A 240 50.294 -7.220 1.659 1.00 0.00 C ATOM 696 CE1 TYR A 240 50.451 -7.730 4.356 1.00 0.00 C ATOM 697 CE2 TYR A 240 49.747 -8.376 2.160 1.00 0.00 C ATOM 698 CZ TYR A 240 49.822 -8.635 3.513 1.00 0.00 C ATOM 699 OH TYR A 240 49.279 -9.807 4.018 1.00 0.00 O ATOM 0 H TYR A 240 52.355 -2.855 1.370 1.00 0.00 H new ATOM 0 HA TYR A 240 49.735 -4.040 1.289 1.00 0.00 H new ATOM 0 HB2 TYR A 240 51.882 -5.254 0.935 1.00 0.00 H new ATOM 0 HB3 TYR A 240 52.409 -4.812 2.547 1.00 0.00 H new ATOM 0 HD1 TYR A 240 51.483 -5.898 4.501 1.00 0.00 H new ATOM 0 HD2 TYR A 240 50.232 -7.016 0.600 1.00 0.00 H new ATOM 0 HE1 TYR A 240 50.511 -7.927 5.416 1.00 0.00 H new ATOM 0 HE2 TYR A 240 49.261 -9.078 1.499 1.00 0.00 H new ATOM 0 HH TYR A 240 48.877 -10.322 3.288 1.00 0.00 H new ATOM 709 N PHE A 241 50.967 -3.126 4.221 1.00 0.00 N ATOM 710 CA PHE A 241 50.641 -2.842 5.614 1.00 0.00 C ATOM 711 C PHE A 241 49.869 -1.546 5.864 1.00 0.00 C ATOM 712 O PHE A 241 48.822 -1.567 6.507 1.00 0.00 O ATOM 713 CB PHE A 241 51.916 -2.785 6.430 1.00 0.00 C ATOM 714 CG PHE A 241 52.530 -4.098 6.795 1.00 0.00 C ATOM 715 CD1 PHE A 241 51.770 -5.132 7.321 1.00 0.00 C ATOM 716 CD2 PHE A 241 53.881 -4.276 6.664 1.00 0.00 C ATOM 717 CE1 PHE A 241 52.367 -6.321 7.695 1.00 0.00 C ATOM 718 CE2 PHE A 241 54.479 -5.463 7.029 1.00 0.00 C ATOM 719 CZ PHE A 241 53.727 -6.480 7.548 1.00 0.00 C ATOM 0 H PHE A 241 51.951 -2.985 3.992 1.00 0.00 H new ATOM 0 HA PHE A 241 49.980 -3.656 5.912 1.00 0.00 H new ATOM 0 HB2 PHE A 241 52.653 -2.206 5.873 1.00 0.00 H new ATOM 0 HB3 PHE A 241 51.709 -2.237 7.349 1.00 0.00 H new ATOM 0 HD1 PHE A 241 50.704 -5.007 7.439 1.00 0.00 H new ATOM 0 HD2 PHE A 241 54.487 -3.474 6.269 1.00 0.00 H new ATOM 0 HE1 PHE A 241 51.769 -7.123 8.101 1.00 0.00 H new ATOM 0 HE2 PHE A 241 55.544 -5.590 6.905 1.00 0.00 H new ATOM 0 HZ PHE A 241 54.199 -7.406 7.842 1.00 0.00 H new ATOM 729 N LEU A 242 50.364 -0.442 5.368 1.00 0.00 N ATOM 730 CA LEU A 242 49.776 0.843 5.703 1.00 0.00 C ATOM 731 C LEU A 242 48.914 1.429 4.595 1.00 0.00 C ATOM 732 O LEU A 242 48.164 2.394 4.831 1.00 0.00 O ATOM 733 CB LEU A 242 50.808 1.868 6.268 1.00 0.00 C ATOM 734 CG LEU A 242 52.145 2.029 5.531 1.00 0.00 C ATOM 735 CD1 LEU A 242 52.600 3.471 5.612 1.00 0.00 C ATOM 736 CD2 LEU A 242 53.210 1.141 6.187 1.00 0.00 C ATOM 0 H LEU A 242 51.164 -0.399 4.737 1.00 0.00 H new ATOM 0 HA LEU A 242 49.090 0.627 6.522 1.00 0.00 H new ATOM 0 HB2 LEU A 242 50.325 2.845 6.299 1.00 0.00 H new ATOM 0 HB3 LEU A 242 51.027 1.587 7.298 1.00 0.00 H new ATOM 0 HG LEU A 242 52.011 1.738 4.489 1.00 0.00 H new ATOM 0 HD11 LEU A 242 53.549 3.583 5.088 1.00 0.00 H new ATOM 0 HD12 LEU A 242 51.852 4.115 5.149 1.00 0.00 H new ATOM 0 HD13 LEU A 242 52.727 3.754 6.657 1.00 0.00 H new ATOM 0 HD21 LEU A 242 54.157 1.259 5.660 1.00 0.00 H new ATOM 0 HD22 LEU A 242 53.336 1.433 7.229 1.00 0.00 H new ATOM 0 HD23 LEU A 242 52.895 0.099 6.138 1.00 0.00 H new ATOM 748 N GLY A 243 49.020 0.886 3.400 1.00 0.00 N ATOM 749 CA GLY A 243 48.137 1.307 2.346 1.00 0.00 C ATOM 750 C GLY A 243 48.847 1.626 1.044 1.00 0.00 C ATOM 751 O GLY A 243 49.955 2.151 1.053 1.00 0.00 O ATOM 0 H GLY A 243 49.696 0.167 3.142 1.00 0.00 H new ATOM 0 HA2 GLY A 243 47.402 0.523 2.166 1.00 0.00 H new ATOM 0 HA3 GLY A 243 47.588 2.189 2.675 1.00 0.00 H new ATOM 755 N PRO A 244 48.234 1.293 -0.109 1.00 0.00 N ATOM 756 CA PRO A 244 48.797 1.594 -1.435 1.00 0.00 C ATOM 757 C PRO A 244 48.827 3.096 -1.714 1.00 0.00 C ATOM 758 O PRO A 244 49.661 3.591 -2.485 1.00 0.00 O ATOM 759 CB PRO A 244 47.838 0.888 -2.402 1.00 0.00 C ATOM 760 CG PRO A 244 46.570 0.750 -1.641 1.00 0.00 C ATOM 761 CD PRO A 244 46.969 0.543 -0.215 1.00 0.00 C ATOM 0 HA PRO A 244 49.831 1.261 -1.527 1.00 0.00 H new ATOM 0 HB2 PRO A 244 47.693 1.471 -3.312 1.00 0.00 H new ATOM 0 HB3 PRO A 244 48.226 -0.085 -2.705 1.00 0.00 H new ATOM 0 HG2 PRO A 244 45.951 1.641 -1.748 1.00 0.00 H new ATOM 0 HG3 PRO A 244 45.983 -0.092 -2.009 1.00 0.00 H new ATOM 0 HD2 PRO A 244 46.215 0.925 0.474 1.00 0.00 H new ATOM 0 HD3 PRO A 244 47.106 -0.513 0.016 1.00 0.00 H new ATOM 769 N SER A 245 47.953 3.812 -1.053 1.00 0.00 N ATOM 770 CA SER A 245 47.826 5.223 -1.220 1.00 0.00 C ATOM 771 C SER A 245 48.396 5.890 0.041 1.00 0.00 C ATOM 772 O SER A 245 47.891 6.916 0.526 1.00 0.00 O ATOM 773 CB SER A 245 46.335 5.559 -1.441 1.00 0.00 C ATOM 774 OG SER A 245 46.132 6.902 -1.861 1.00 0.00 O ATOM 0 H SER A 245 47.302 3.417 -0.374 1.00 0.00 H new ATOM 0 HA SER A 245 48.377 5.591 -2.086 1.00 0.00 H new ATOM 0 HB2 SER A 245 45.921 4.882 -2.189 1.00 0.00 H new ATOM 0 HB3 SER A 245 45.786 5.385 -0.515 1.00 0.00 H new ATOM 0 HG SER A 245 45.174 7.064 -1.988 1.00 0.00 H new ATOM 780 N ALA A 246 49.455 5.277 0.568 1.00 0.00 N ATOM 781 CA ALA A 246 50.165 5.755 1.738 1.00 0.00 C ATOM 782 C ALA A 246 50.642 7.191 1.538 1.00 0.00 C ATOM 783 O ALA A 246 51.522 7.460 0.716 1.00 0.00 O ATOM 784 CB ALA A 246 51.347 4.838 2.039 1.00 0.00 C ATOM 0 H ALA A 246 49.846 4.418 0.181 1.00 0.00 H new ATOM 0 HA ALA A 246 49.481 5.743 2.587 1.00 0.00 H new ATOM 0 HB1 ALA A 246 51.876 5.203 2.919 1.00 0.00 H new ATOM 0 HB2 ALA A 246 50.985 3.827 2.227 1.00 0.00 H new ATOM 0 HB3 ALA A 246 52.026 4.828 1.186 1.00 0.00 H new ATOM 790 N VAL A 247 50.018 8.098 2.275 1.00 0.00 N ATOM 791 CA VAL A 247 50.296 9.524 2.255 1.00 0.00 C ATOM 792 C VAL A 247 50.021 10.121 0.842 1.00 0.00 C ATOM 793 O VAL A 247 50.587 11.122 0.427 1.00 0.00 O ATOM 794 CB VAL A 247 51.739 9.815 2.773 1.00 0.00 C ATOM 795 CG1 VAL A 247 51.993 11.308 2.970 1.00 0.00 C ATOM 796 CG2 VAL A 247 52.009 9.071 4.078 1.00 0.00 C ATOM 0 H VAL A 247 49.275 7.850 2.928 1.00 0.00 H new ATOM 0 HA VAL A 247 49.615 10.028 2.941 1.00 0.00 H new ATOM 0 HB VAL A 247 52.424 9.457 2.005 1.00 0.00 H new ATOM 0 HG11 VAL A 247 53.010 11.459 3.331 1.00 0.00 H new ATOM 0 HG12 VAL A 247 51.864 11.827 2.020 1.00 0.00 H new ATOM 0 HG13 VAL A 247 51.286 11.704 3.699 1.00 0.00 H new ATOM 0 HG21 VAL A 247 53.021 9.290 4.419 1.00 0.00 H new ATOM 0 HG22 VAL A 247 51.294 9.393 4.835 1.00 0.00 H new ATOM 0 HG23 VAL A 247 51.906 7.998 3.913 1.00 0.00 H new ATOM 806 N LEU A 248 49.101 9.527 0.151 1.00 0.00 N ATOM 807 CA LEU A 248 48.708 10.001 -1.160 1.00 0.00 C ATOM 808 C LEU A 248 47.300 10.563 -1.104 1.00 0.00 C ATOM 809 O LEU A 248 46.576 10.341 -0.116 1.00 0.00 O ATOM 810 CB LEU A 248 48.802 8.882 -2.214 1.00 0.00 C ATOM 811 CG LEU A 248 50.194 8.307 -2.489 1.00 0.00 C ATOM 812 CD1 LEU A 248 50.142 7.331 -3.649 1.00 0.00 C ATOM 813 CD2 LEU A 248 51.193 9.416 -2.780 1.00 0.00 C ATOM 0 H LEU A 248 48.595 8.700 0.469 1.00 0.00 H new ATOM 0 HA LEU A 248 49.397 10.791 -1.458 1.00 0.00 H new ATOM 0 HB2 LEU A 248 48.153 8.065 -1.900 1.00 0.00 H new ATOM 0 HB3 LEU A 248 48.401 9.265 -3.153 1.00 0.00 H new ATOM 0 HG LEU A 248 50.524 7.776 -1.596 1.00 0.00 H new ATOM 0 HD11 LEU A 248 51.139 6.931 -3.833 1.00 0.00 H new ATOM 0 HD12 LEU A 248 49.462 6.514 -3.407 1.00 0.00 H new ATOM 0 HD13 LEU A 248 49.788 7.846 -4.542 1.00 0.00 H new ATOM 0 HD21 LEU A 248 52.174 8.981 -2.972 1.00 0.00 H new ATOM 0 HD22 LEU A 248 50.868 9.978 -3.655 1.00 0.00 H new ATOM 0 HD23 LEU A 248 51.254 10.085 -1.922 1.00 0.00 H new ATOM 825 N PRO A 249 46.904 11.351 -2.113 1.00 0.00 N ATOM 826 CA PRO A 249 45.566 11.899 -2.211 1.00 0.00 C ATOM 827 C PRO A 249 44.627 10.897 -2.892 1.00 0.00 C ATOM 828 O PRO A 249 44.980 9.715 -3.059 1.00 0.00 O ATOM 829 CB PRO A 249 45.771 13.153 -3.110 1.00 0.00 C ATOM 830 CG PRO A 249 47.250 13.203 -3.377 1.00 0.00 C ATOM 831 CD PRO A 249 47.718 11.807 -3.238 1.00 0.00 C ATOM 0 HA PRO A 249 45.118 12.128 -1.244 1.00 0.00 H new ATOM 0 HB2 PRO A 249 45.205 13.070 -4.038 1.00 0.00 H new ATOM 0 HB3 PRO A 249 45.430 14.058 -2.608 1.00 0.00 H new ATOM 0 HG2 PRO A 249 47.457 13.590 -4.375 1.00 0.00 H new ATOM 0 HG3 PRO A 249 47.756 13.860 -2.669 1.00 0.00 H new ATOM 0 HD2 PRO A 249 47.541 11.221 -4.140 1.00 0.00 H new ATOM 0 HD3 PRO A 249 48.785 11.749 -3.025 1.00 0.00 H new TER 839 PRO A 249 HETATM 840 ZN ZN A 500 66.171 -7.223 3.923 1.00 0.00 ZN