USER MOD reduce.3.24.130724 H: found=0, std=0, add=344, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 341 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 209 CYS SG : rot 53:sc= -1.26 USER MOD Set 1.2: A 220 CYS SG : rot 130:sc= 0.406 USER MOD Set 1.3: A 226 CYS SG : rot -167:sc= -5.63! USER MOD Set 1.4: A 229 HIS :FLIP no HD1:sc= -10.1! C(o=-21!,f=-17!) USER MOD Set 1.5: A 230 THR OG1 : rot 161:sc= 1.19 USER MOD Set 1.6: A 233 GLN :FLIP amide:sc= -1.56! C(o=-19!,f=-17!) USER MOD Single : A 203 SER OG : rot 180:sc= 0 USER MOD Single : A 206 THR OG1 : rot 88:sc= 0.575 USER MOD Single : A 207 THR OG1 : rot 180:sc= 0 USER MOD Single : A 208 GLN :FLIP amide:sc= -1.15 F(o=-2.3!,f=-1.2) USER MOD Single : A 218 LYS NZ :NH3+ -134:sc= -0.514 (180deg=-2.45!) USER MOD Single : A 219 MET CE :methyl 131:sc= -0.0745 (180deg=-0.503) USER MOD Single : A 221 THR OG1 : rot 180:sc= 0.0128 USER MOD Single : A 223 SER OG : rot 30:sc= 0.118 USER MOD Single : A 228 GLN : amide:sc= -0.284 K(o=-0.28,f=-0.85) USER MOD Single : A 236 THR OG1 : rot 84:sc= 1.28 USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 198 50.529 -0.185 12.934 1.00 0.00 N ATOM 2 CA PRO A 198 50.778 0.513 11.665 1.00 0.00 C ATOM 3 C PRO A 198 51.678 1.753 11.771 1.00 0.00 C ATOM 4 O PRO A 198 52.471 2.013 10.867 1.00 0.00 O ATOM 5 CB PRO A 198 49.382 0.904 11.173 1.00 0.00 C ATOM 6 CG PRO A 198 48.487 0.736 12.354 1.00 0.00 C ATOM 7 CD PRO A 198 49.090 -0.349 13.183 1.00 0.00 C ATOM 0 HA PRO A 198 51.328 -0.139 10.987 1.00 0.00 H new ATOM 0 HB2 PRO A 198 49.366 1.932 10.811 1.00 0.00 H new ATOM 0 HB3 PRO A 198 49.065 0.269 10.346 1.00 0.00 H new ATOM 0 HG2 PRO A 198 48.413 1.664 12.921 1.00 0.00 H new ATOM 0 HG3 PRO A 198 47.477 0.472 12.042 1.00 0.00 H new ATOM 0 HD2 PRO A 198 48.846 -0.234 14.239 1.00 0.00 H new ATOM 0 HD3 PRO A 198 48.736 -1.334 12.879 1.00 0.00 H new ATOM 15 N GLU A 199 51.593 2.479 12.873 1.00 0.00 N ATOM 16 CA GLU A 199 52.340 3.674 13.051 1.00 0.00 C ATOM 17 C GLU A 199 53.835 3.353 13.210 1.00 0.00 C ATOM 18 O GLU A 199 54.682 3.842 12.442 1.00 0.00 O ATOM 19 CB GLU A 199 51.812 4.385 14.281 1.00 0.00 C ATOM 20 CG GLU A 199 52.558 5.630 14.620 1.00 0.00 C ATOM 21 CD GLU A 199 52.335 6.766 13.646 1.00 0.00 C ATOM 22 OE1 GLU A 199 52.818 6.709 12.497 1.00 0.00 O ATOM 23 OE2 GLU A 199 51.676 7.755 14.022 1.00 0.00 O ATOM 0 H GLU A 199 50.995 2.239 13.664 1.00 0.00 H new ATOM 0 HA GLU A 199 52.231 4.317 12.177 1.00 0.00 H new ATOM 0 HB2 GLU A 199 50.762 4.632 14.124 1.00 0.00 H new ATOM 0 HB3 GLU A 199 51.855 3.703 15.130 1.00 0.00 H new ATOM 0 HG2 GLU A 199 52.264 5.957 15.617 1.00 0.00 H new ATOM 0 HG3 GLU A 199 53.623 5.403 14.660 1.00 0.00 H new ATOM 30 N GLU A 200 54.148 2.501 14.168 1.00 0.00 N ATOM 31 CA GLU A 200 55.472 2.116 14.453 1.00 0.00 C ATOM 32 C GLU A 200 56.036 1.211 13.405 1.00 0.00 C ATOM 33 O GLU A 200 57.243 1.147 13.210 1.00 0.00 O ATOM 34 CB GLU A 200 55.564 1.498 15.805 1.00 0.00 C ATOM 35 CG GLU A 200 54.545 0.416 16.151 1.00 0.00 C ATOM 36 CD GLU A 200 53.259 0.973 16.708 1.00 0.00 C ATOM 37 OE1 GLU A 200 52.407 1.444 15.942 1.00 0.00 O ATOM 38 OE2 GLU A 200 53.085 0.943 17.934 1.00 0.00 O ATOM 0 H GLU A 200 53.454 2.060 14.771 1.00 0.00 H new ATOM 0 HA GLU A 200 56.080 3.021 14.448 1.00 0.00 H new ATOM 0 HB2 GLU A 200 56.560 1.070 15.913 1.00 0.00 H new ATOM 0 HB3 GLU A 200 55.477 2.293 16.546 1.00 0.00 H new ATOM 0 HG2 GLU A 200 54.325 -0.167 15.257 1.00 0.00 H new ATOM 0 HG3 GLU A 200 54.983 -0.268 16.878 1.00 0.00 H new ATOM 45 N LEU A 201 55.182 0.508 12.760 1.00 0.00 N ATOM 46 CA LEU A 201 55.555 -0.272 11.617 1.00 0.00 C ATOM 47 C LEU A 201 56.012 0.635 10.479 1.00 0.00 C ATOM 48 O LEU A 201 57.012 0.383 9.829 1.00 0.00 O ATOM 49 CB LEU A 201 54.405 -1.145 11.175 1.00 0.00 C ATOM 50 CG LEU A 201 54.506 -1.635 9.772 1.00 0.00 C ATOM 51 CD1 LEU A 201 54.206 -3.092 9.701 1.00 0.00 C ATOM 52 CD2 LEU A 201 53.554 -0.857 8.901 1.00 0.00 C ATOM 0 H LEU A 201 54.193 0.450 13.004 1.00 0.00 H new ATOM 0 HA LEU A 201 56.387 -0.918 11.895 1.00 0.00 H new ATOM 0 HB2 LEU A 201 54.340 -2.004 11.843 1.00 0.00 H new ATOM 0 HB3 LEU A 201 53.477 -0.585 11.285 1.00 0.00 H new ATOM 0 HG LEU A 201 55.525 -1.485 9.415 1.00 0.00 H new ATOM 0 HD11 LEU A 201 54.285 -3.430 8.668 1.00 0.00 H new ATOM 0 HD12 LEU A 201 54.918 -3.641 10.318 1.00 0.00 H new ATOM 0 HD13 LEU A 201 53.195 -3.273 10.065 1.00 0.00 H new ATOM 0 HD21 LEU A 201 53.626 -1.214 7.874 1.00 0.00 H new ATOM 0 HD22 LEU A 201 52.535 -0.995 9.262 1.00 0.00 H new ATOM 0 HD23 LEU A 201 53.811 0.202 8.936 1.00 0.00 H new ATOM 64 N ARG A 202 55.271 1.679 10.239 1.00 0.00 N ATOM 65 CA ARG A 202 55.619 2.640 9.266 1.00 0.00 C ATOM 66 C ARG A 202 56.900 3.360 9.706 1.00 0.00 C ATOM 67 O ARG A 202 57.723 3.767 8.879 1.00 0.00 O ATOM 68 CB ARG A 202 54.460 3.593 9.085 1.00 0.00 C ATOM 69 CG ARG A 202 54.736 4.650 8.101 1.00 0.00 C ATOM 70 CD ARG A 202 53.524 5.508 7.828 1.00 0.00 C ATOM 71 NE ARG A 202 53.822 6.520 6.809 1.00 0.00 N ATOM 72 CZ ARG A 202 52.928 7.129 6.010 1.00 0.00 C ATOM 73 NH1 ARG A 202 51.617 6.894 6.141 1.00 0.00 N ATOM 74 NH2 ARG A 202 53.362 7.978 5.084 1.00 0.00 N ATOM 0 H ARG A 202 54.398 1.877 10.728 1.00 0.00 H new ATOM 0 HA ARG A 202 55.819 2.169 8.304 1.00 0.00 H new ATOM 0 HB2 ARG A 202 53.580 3.031 8.770 1.00 0.00 H new ATOM 0 HB3 ARG A 202 54.219 4.051 10.045 1.00 0.00 H new ATOM 0 HG2 ARG A 202 55.549 5.278 8.464 1.00 0.00 H new ATOM 0 HG3 ARG A 202 55.075 4.197 7.169 1.00 0.00 H new ATOM 0 HD2 ARG A 202 52.697 4.881 7.494 1.00 0.00 H new ATOM 0 HD3 ARG A 202 53.203 5.996 8.749 1.00 0.00 H new ATOM 0 HE ARG A 202 54.800 6.787 6.696 1.00 0.00 H new ATOM 0 HH11 ARG A 202 51.284 6.245 6.854 1.00 0.00 H new ATOM 0 HH12 ARG A 202 50.951 7.363 5.528 1.00 0.00 H new ATOM 0 HH21 ARG A 202 54.361 8.160 4.987 1.00 0.00 H new ATOM 0 HH22 ARG A 202 52.696 8.448 4.470 1.00 0.00 H new ATOM 88 N SER A 203 57.069 3.474 11.017 1.00 0.00 N ATOM 89 CA SER A 203 58.286 4.013 11.586 1.00 0.00 C ATOM 90 C SER A 203 59.441 3.047 11.299 1.00 0.00 C ATOM 91 O SER A 203 60.546 3.483 11.002 1.00 0.00 O ATOM 92 CB SER A 203 58.136 4.248 13.102 1.00 0.00 C ATOM 93 OG SER A 203 59.306 4.829 13.665 1.00 0.00 O ATOM 0 H SER A 203 56.370 3.197 11.706 1.00 0.00 H new ATOM 0 HA SER A 203 58.496 4.979 11.128 1.00 0.00 H new ATOM 0 HB2 SER A 203 57.282 4.900 13.286 1.00 0.00 H new ATOM 0 HB3 SER A 203 57.926 3.300 13.598 1.00 0.00 H new ATOM 0 HG SER A 203 59.174 4.965 14.626 1.00 0.00 H new ATOM 99 N LEU A 204 59.154 1.744 11.374 1.00 0.00 N ATOM 100 CA LEU A 204 60.107 0.683 11.071 1.00 0.00 C ATOM 101 C LEU A 204 60.650 0.889 9.677 1.00 0.00 C ATOM 102 O LEU A 204 61.852 1.071 9.488 1.00 0.00 O ATOM 103 CB LEU A 204 59.403 -0.699 11.175 1.00 0.00 C ATOM 104 CG LEU A 204 60.276 -1.942 10.952 1.00 0.00 C ATOM 105 CD1 LEU A 204 59.828 -3.071 11.824 1.00 0.00 C ATOM 106 CD2 LEU A 204 60.207 -2.406 9.500 1.00 0.00 C ATOM 0 H LEU A 204 58.237 1.396 11.652 1.00 0.00 H new ATOM 0 HA LEU A 204 60.930 0.710 11.785 1.00 0.00 H new ATOM 0 HB2 LEU A 204 58.950 -0.775 12.164 1.00 0.00 H new ATOM 0 HB3 LEU A 204 58.590 -0.721 10.449 1.00 0.00 H new ATOM 0 HG LEU A 204 61.299 -1.662 11.202 1.00 0.00 H new ATOM 0 HD11 LEU A 204 60.462 -3.940 11.648 1.00 0.00 H new ATOM 0 HD12 LEU A 204 59.902 -2.774 12.870 1.00 0.00 H new ATOM 0 HD13 LEU A 204 58.794 -3.323 11.590 1.00 0.00 H new ATOM 0 HD21 LEU A 204 60.834 -3.288 9.370 1.00 0.00 H new ATOM 0 HD22 LEU A 204 59.176 -2.653 9.246 1.00 0.00 H new ATOM 0 HD23 LEU A 204 60.561 -1.609 8.846 1.00 0.00 H new ATOM 118 N LEU A 205 59.733 0.957 8.726 1.00 0.00 N ATOM 119 CA LEU A 205 60.037 1.105 7.306 1.00 0.00 C ATOM 120 C LEU A 205 60.866 2.343 6.945 1.00 0.00 C ATOM 121 O LEU A 205 61.329 2.454 5.810 1.00 0.00 O ATOM 122 CB LEU A 205 58.759 1.047 6.451 1.00 0.00 C ATOM 123 CG LEU A 205 58.269 -0.341 5.984 1.00 0.00 C ATOM 124 CD1 LEU A 205 59.321 -1.039 5.157 1.00 0.00 C ATOM 125 CD2 LEU A 205 57.838 -1.212 7.125 1.00 0.00 C ATOM 0 H LEU A 205 58.733 0.910 8.921 1.00 0.00 H new ATOM 0 HA LEU A 205 60.673 0.251 7.074 1.00 0.00 H new ATOM 0 HB2 LEU A 205 57.954 1.513 7.019 1.00 0.00 H new ATOM 0 HB3 LEU A 205 58.920 1.661 5.565 1.00 0.00 H new ATOM 0 HG LEU A 205 57.392 -0.166 5.361 1.00 0.00 H new ATOM 0 HD11 LEU A 205 58.949 -2.014 4.842 1.00 0.00 H new ATOM 0 HD12 LEU A 205 59.551 -0.437 4.278 1.00 0.00 H new ATOM 0 HD13 LEU A 205 60.224 -1.171 5.753 1.00 0.00 H new ATOM 0 HD21 LEU A 205 57.503 -2.175 6.741 1.00 0.00 H new ATOM 0 HD22 LEU A 205 58.677 -1.364 7.804 1.00 0.00 H new ATOM 0 HD23 LEU A 205 57.020 -0.731 7.661 1.00 0.00 H new ATOM 137 N THR A 206 61.048 3.261 7.877 1.00 0.00 N ATOM 138 CA THR A 206 61.854 4.417 7.651 1.00 0.00 C ATOM 139 C THR A 206 63.330 3.997 7.449 1.00 0.00 C ATOM 140 O THR A 206 64.059 4.617 6.686 1.00 0.00 O ATOM 141 CB THR A 206 61.743 5.369 8.852 1.00 0.00 C ATOM 142 OG1 THR A 206 60.358 5.521 9.208 1.00 0.00 O ATOM 143 CG2 THR A 206 62.299 6.725 8.511 1.00 0.00 C ATOM 0 H THR A 206 60.635 3.214 8.808 1.00 0.00 H new ATOM 0 HA THR A 206 61.503 4.928 6.755 1.00 0.00 H new ATOM 0 HB THR A 206 62.311 4.947 9.681 1.00 0.00 H new ATOM 0 HG1 THR A 206 60.105 4.821 9.845 1.00 0.00 H new ATOM 0 HG21 THR A 206 62.210 7.383 9.376 1.00 0.00 H new ATOM 0 HG22 THR A 206 63.349 6.629 8.235 1.00 0.00 H new ATOM 0 HG23 THR A 206 61.741 7.147 7.675 1.00 0.00 H new ATOM 151 N THR A 207 63.749 2.922 8.104 1.00 0.00 N ATOM 152 CA THR A 207 65.107 2.463 7.956 1.00 0.00 C ATOM 153 C THR A 207 65.161 0.934 7.870 1.00 0.00 C ATOM 154 O THR A 207 66.032 0.384 7.214 1.00 0.00 O ATOM 155 CB THR A 207 66.041 3.011 9.090 1.00 0.00 C ATOM 156 OG1 THR A 207 67.417 2.649 8.850 1.00 0.00 O ATOM 157 CG2 THR A 207 65.614 2.494 10.459 1.00 0.00 C ATOM 0 H THR A 207 63.171 2.364 8.732 1.00 0.00 H new ATOM 0 HA THR A 207 65.487 2.865 7.017 1.00 0.00 H new ATOM 0 HB THR A 207 65.951 4.097 9.080 1.00 0.00 H new ATOM 0 HG1 THR A 207 67.979 3.004 9.570 1.00 0.00 H new ATOM 0 HG21 THR A 207 66.282 2.892 11.223 1.00 0.00 H new ATOM 0 HG22 THR A 207 64.593 2.814 10.667 1.00 0.00 H new ATOM 0 HG23 THR A 207 65.661 1.405 10.468 1.00 0.00 H new ATOM 165 N GLN A 208 64.202 0.259 8.484 1.00 0.00 N ATOM 166 CA GLN A 208 64.164 -1.169 8.468 1.00 0.00 C ATOM 167 C GLN A 208 63.510 -1.663 7.205 1.00 0.00 C ATOM 168 O GLN A 208 62.478 -1.158 6.784 1.00 0.00 O ATOM 169 CB GLN A 208 63.450 -1.727 9.685 1.00 0.00 C ATOM 170 CG GLN A 208 64.110 -1.437 11.010 1.00 0.00 C ATOM 171 CD GLN A 208 63.568 -2.312 12.138 1.00 0.00 C ATOM 172 OE1 GLN A 208 63.276 -3.566 11.853 1.00 0.00 O flip ATOM 173 NE2 GLN A 208 63.493 -1.878 13.287 1.00 0.00 N flip ATOM 0 H GLN A 208 63.439 0.696 9.001 1.00 0.00 H new ATOM 0 HA GLN A 208 65.194 -1.525 8.498 1.00 0.00 H new ATOM 0 HB2 GLN A 208 62.437 -1.325 9.707 1.00 0.00 H new ATOM 0 HB3 GLN A 208 63.362 -2.807 9.570 1.00 0.00 H new ATOM 0 HG2 GLN A 208 65.185 -1.593 10.918 1.00 0.00 H new ATOM 0 HG3 GLN A 208 63.960 -0.388 11.265 1.00 0.00 H new ATOM 0 HE21 GLN A 208 63.725 -0.904 13.480 1.00 0.00 H new ATOM 0 HE22 GLN A 208 63.199 -2.493 14.046 1.00 0.00 H new ATOM 182 N CYS A 209 64.160 -2.640 6.639 1.00 0.00 N ATOM 183 CA CYS A 209 63.843 -3.320 5.405 1.00 0.00 C ATOM 184 C CYS A 209 62.368 -3.651 5.328 1.00 0.00 C ATOM 185 O CYS A 209 61.686 -3.206 4.422 1.00 0.00 O ATOM 186 CB CYS A 209 64.721 -4.581 5.336 1.00 0.00 C ATOM 187 SG CYS A 209 65.267 -5.094 3.679 1.00 0.00 S ATOM 0 H CYS A 209 65.005 -3.019 7.066 1.00 0.00 H new ATOM 0 HA CYS A 209 64.051 -2.679 4.548 1.00 0.00 H new ATOM 0 HB2 CYS A 209 65.605 -4.416 5.952 1.00 0.00 H new ATOM 0 HB3 CYS A 209 64.169 -5.407 5.785 1.00 0.00 H new ATOM 0 HG CYS A 209 65.832 -4.089 3.078 1.00 0.00 H new ATOM 192 N GLY A 210 61.926 -4.518 6.212 1.00 0.00 N ATOM 193 CA GLY A 210 60.533 -4.783 6.416 1.00 0.00 C ATOM 194 C GLY A 210 59.908 -5.598 5.338 1.00 0.00 C ATOM 195 O GLY A 210 58.801 -6.039 5.479 1.00 0.00 O ATOM 0 H GLY A 210 62.541 -5.064 6.816 1.00 0.00 H new ATOM 0 HA2 GLY A 210 60.407 -5.300 7.367 1.00 0.00 H new ATOM 0 HA3 GLY A 210 60.001 -3.835 6.496 1.00 0.00 H new ATOM 199 N VAL A 211 60.667 -5.875 4.311 1.00 0.00 N ATOM 200 CA VAL A 211 60.184 -6.534 3.142 1.00 0.00 C ATOM 201 C VAL A 211 59.768 -7.953 3.425 1.00 0.00 C ATOM 202 O VAL A 211 60.585 -8.767 3.847 1.00 0.00 O ATOM 203 CB VAL A 211 61.292 -6.454 2.075 1.00 0.00 C ATOM 204 CG1 VAL A 211 62.617 -6.871 2.588 1.00 0.00 C ATOM 205 CG2 VAL A 211 60.955 -7.112 0.753 1.00 0.00 C ATOM 0 H VAL A 211 61.659 -5.641 4.270 1.00 0.00 H new ATOM 0 HA VAL A 211 59.283 -6.040 2.779 1.00 0.00 H new ATOM 0 HB VAL A 211 61.357 -5.391 1.845 1.00 0.00 H new ATOM 0 HG11 VAL A 211 63.357 -6.793 1.791 1.00 0.00 H new ATOM 0 HG12 VAL A 211 62.907 -6.224 3.416 1.00 0.00 H new ATOM 0 HG13 VAL A 211 62.565 -7.903 2.935 1.00 0.00 H new ATOM 0 HG21 VAL A 211 61.796 -7.003 0.068 1.00 0.00 H new ATOM 0 HG22 VAL A 211 60.753 -8.171 0.915 1.00 0.00 H new ATOM 0 HG23 VAL A 211 60.073 -6.636 0.324 1.00 0.00 H new ATOM 215 N ILE A 212 58.484 -8.221 3.286 1.00 0.00 N ATOM 216 CA ILE A 212 58.016 -9.560 3.418 1.00 0.00 C ATOM 217 C ILE A 212 58.454 -10.309 2.222 1.00 0.00 C ATOM 218 O ILE A 212 58.090 -9.971 1.083 1.00 0.00 O ATOM 219 CB ILE A 212 56.475 -9.719 3.570 1.00 0.00 C ATOM 220 CG1 ILE A 212 55.979 -9.063 4.857 1.00 0.00 C ATOM 221 CG2 ILE A 212 56.096 -11.216 3.557 1.00 0.00 C ATOM 222 CD1 ILE A 212 54.475 -9.130 5.048 1.00 0.00 C ATOM 0 H ILE A 212 57.764 -7.528 3.084 1.00 0.00 H new ATOM 0 HA ILE A 212 58.438 -9.942 4.348 1.00 0.00 H new ATOM 0 HB ILE A 212 55.995 -9.219 2.729 1.00 0.00 H new ATOM 0 HG12 ILE A 212 56.464 -9.543 5.707 1.00 0.00 H new ATOM 0 HG13 ILE A 212 56.289 -8.018 4.862 1.00 0.00 H new ATOM 0 HG21 ILE A 212 55.016 -11.319 3.664 1.00 0.00 H new ATOM 0 HG22 ILE A 212 56.412 -11.663 2.614 1.00 0.00 H new ATOM 0 HG23 ILE A 212 56.592 -11.724 4.384 1.00 0.00 H new ATOM 0 HD11 ILE A 212 54.205 -8.642 5.985 1.00 0.00 H new ATOM 0 HD12 ILE A 212 53.980 -8.624 4.219 1.00 0.00 H new ATOM 0 HD13 ILE A 212 54.158 -10.172 5.077 1.00 0.00 H new ATOM 313 N LYS A 218 58.682 -13.754 5.850 1.00 0.00 N ATOM 314 CA LYS A 218 58.126 -12.581 6.522 1.00 0.00 C ATOM 315 C LYS A 218 58.924 -11.285 6.334 1.00 0.00 C ATOM 316 O LYS A 218 59.809 -11.203 5.450 1.00 0.00 O ATOM 317 CB LYS A 218 57.778 -12.860 8.009 1.00 0.00 C ATOM 318 CG LYS A 218 58.940 -13.201 8.933 1.00 0.00 C ATOM 319 CD LYS A 218 58.552 -13.292 10.428 1.00 0.00 C ATOM 320 CE LYS A 218 57.598 -14.458 10.783 1.00 0.00 C ATOM 321 NZ LYS A 218 56.198 -14.253 10.329 1.00 0.00 N ATOM 0 HA LYS A 218 57.188 -12.391 6.001 1.00 0.00 H new ATOM 0 HB2 LYS A 218 57.271 -11.982 8.410 1.00 0.00 H new ATOM 0 HB3 LYS A 218 57.064 -13.683 8.042 1.00 0.00 H new ATOM 0 HG2 LYS A 218 59.371 -14.153 8.622 1.00 0.00 H new ATOM 0 HG3 LYS A 218 59.717 -12.446 8.816 1.00 0.00 H new ATOM 0 HD2 LYS A 218 59.462 -13.393 11.019 1.00 0.00 H new ATOM 0 HD3 LYS A 218 58.082 -12.354 10.724 1.00 0.00 H new ATOM 0 HE2 LYS A 218 57.982 -15.376 10.339 1.00 0.00 H new ATOM 0 HE3 LYS A 218 57.602 -14.601 11.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 55.544 -14.496 11.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 56.062 -13.257 10.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 56.007 -14.862 9.508 1.00 0.00 H new ATOM 335 N MET A 219 58.534 -10.255 7.099 1.00 0.00 N ATOM 336 CA MET A 219 59.160 -8.937 7.060 1.00 0.00 C ATOM 337 C MET A 219 60.619 -9.026 7.360 1.00 0.00 C ATOM 338 O MET A 219 61.039 -9.751 8.265 1.00 0.00 O ATOM 339 CB MET A 219 58.531 -7.990 8.073 1.00 0.00 C ATOM 340 CG MET A 219 57.126 -7.637 7.835 1.00 0.00 C ATOM 341 SD MET A 219 56.486 -6.607 9.168 1.00 0.00 S ATOM 342 CE MET A 219 57.361 -5.081 8.840 1.00 0.00 C ATOM 0 H MET A 219 57.766 -10.320 7.767 1.00 0.00 H new ATOM 0 HA MET A 219 59.007 -8.552 6.052 1.00 0.00 H new ATOM 0 HB2 MET A 219 58.609 -8.442 9.062 1.00 0.00 H new ATOM 0 HB3 MET A 219 59.117 -7.071 8.095 1.00 0.00 H new ATOM 0 HG2 MET A 219 57.036 -7.108 6.886 1.00 0.00 H new ATOM 0 HG3 MET A 219 56.528 -8.545 7.752 1.00 0.00 H new ATOM 0 HE1 MET A 219 56.656 -4.249 8.843 1.00 0.00 H new ATOM 0 HE2 MET A 219 58.115 -4.921 9.611 1.00 0.00 H new ATOM 0 HE3 MET A 219 57.846 -5.142 7.866 1.00 0.00 H new ATOM 352 N CYS A 220 61.392 -8.301 6.623 1.00 0.00 N ATOM 353 CA CYS A 220 62.812 -8.323 6.824 1.00 0.00 C ATOM 354 C CYS A 220 63.246 -7.360 7.949 1.00 0.00 C ATOM 355 O CYS A 220 62.727 -6.272 8.050 1.00 0.00 O ATOM 356 CB CYS A 220 63.481 -7.977 5.561 1.00 0.00 C ATOM 357 SG CYS A 220 65.219 -8.150 5.644 1.00 0.00 S ATOM 0 H CYS A 220 61.071 -7.685 5.876 1.00 0.00 H new ATOM 0 HA CYS A 220 63.103 -9.327 7.134 1.00 0.00 H new ATOM 0 HB2 CYS A 220 63.095 -8.613 4.765 1.00 0.00 H new ATOM 0 HB3 CYS A 220 63.235 -6.949 5.295 1.00 0.00 H new ATOM 0 HG CYS A 220 65.634 -8.852 4.632 1.00 0.00 H new ATOM 362 N THR A 221 64.251 -7.733 8.710 1.00 0.00 N ATOM 363 CA THR A 221 64.625 -6.992 9.910 1.00 0.00 C ATOM 364 C THR A 221 65.733 -5.941 9.731 1.00 0.00 C ATOM 365 O THR A 221 65.688 -4.889 10.378 1.00 0.00 O ATOM 366 CB THR A 221 64.984 -7.977 11.008 1.00 0.00 C ATOM 367 OG1 THR A 221 65.966 -8.909 10.507 1.00 0.00 O ATOM 368 CG2 THR A 221 63.743 -8.730 11.386 1.00 0.00 C ATOM 0 H THR A 221 64.832 -8.550 8.523 1.00 0.00 H new ATOM 0 HA THR A 221 63.750 -6.401 10.179 1.00 0.00 H new ATOM 0 HB THR A 221 65.389 -7.450 11.872 1.00 0.00 H new ATOM 0 HG1 THR A 221 66.202 -9.546 11.213 1.00 0.00 H new ATOM 0 HG21 THR A 221 63.977 -9.445 12.175 1.00 0.00 H new ATOM 0 HG22 THR A 221 62.987 -8.030 11.743 1.00 0.00 H new ATOM 0 HG23 THR A 221 63.361 -9.263 10.515 1.00 0.00 H new ATOM 376 N ARG A 222 66.719 -6.211 8.861 1.00 0.00 N ATOM 377 CA ARG A 222 67.838 -5.267 8.636 1.00 0.00 C ATOM 378 C ARG A 222 67.358 -3.972 7.969 1.00 0.00 C ATOM 379 O ARG A 222 66.181 -3.773 7.815 1.00 0.00 O ATOM 380 CB ARG A 222 68.922 -5.883 7.766 1.00 0.00 C ATOM 381 CG ARG A 222 69.653 -7.071 8.353 1.00 0.00 C ATOM 382 CD ARG A 222 70.777 -7.496 7.425 1.00 0.00 C ATOM 383 NE ARG A 222 71.473 -8.690 7.888 1.00 0.00 N ATOM 384 CZ ARG A 222 72.528 -9.246 7.276 1.00 0.00 C ATOM 385 NH1 ARG A 222 73.103 -8.636 6.237 1.00 0.00 N ATOM 386 NH2 ARG A 222 73.019 -10.389 7.717 1.00 0.00 N ATOM 0 H ARG A 222 66.769 -7.064 8.305 1.00 0.00 H new ATOM 0 HA ARG A 222 68.247 -5.039 9.620 1.00 0.00 H new ATOM 0 HB2 ARG A 222 68.471 -6.190 6.822 1.00 0.00 H new ATOM 0 HB3 ARG A 222 69.655 -5.110 7.533 1.00 0.00 H new ATOM 0 HG2 ARG A 222 70.056 -6.813 9.332 1.00 0.00 H new ATOM 0 HG3 ARG A 222 68.960 -7.899 8.501 1.00 0.00 H new ATOM 0 HD2 ARG A 222 70.370 -7.681 6.431 1.00 0.00 H new ATOM 0 HD3 ARG A 222 71.492 -6.679 7.330 1.00 0.00 H new ATOM 0 HE ARG A 222 71.132 -9.135 8.740 1.00 0.00 H new ATOM 0 HH11 ARG A 222 72.740 -7.742 5.905 1.00 0.00 H new ATOM 0 HH12 ARG A 222 73.906 -9.063 5.775 1.00 0.00 H new ATOM 0 HH21 ARG A 222 72.596 -10.849 8.523 1.00 0.00 H new ATOM 0 HH22 ARG A 222 73.822 -10.813 7.252 1.00 0.00 H new ATOM 400 N SER A 223 68.280 -3.126 7.544 1.00 0.00 N ATOM 401 CA SER A 223 67.952 -1.870 6.868 1.00 0.00 C ATOM 402 C SER A 223 67.311 -2.150 5.489 1.00 0.00 C ATOM 403 O SER A 223 67.345 -3.265 5.012 1.00 0.00 O ATOM 404 CB SER A 223 69.235 -1.020 6.706 1.00 0.00 C ATOM 405 OG SER A 223 68.978 0.267 6.141 1.00 0.00 O ATOM 0 H SER A 223 69.281 -3.285 7.655 1.00 0.00 H new ATOM 0 HA SER A 223 67.232 -1.317 7.471 1.00 0.00 H new ATOM 0 HB2 SER A 223 69.709 -0.896 7.680 1.00 0.00 H new ATOM 0 HB3 SER A 223 69.943 -1.555 6.073 1.00 0.00 H new ATOM 0 HG SER A 223 68.077 0.560 6.392 1.00 0.00 H new ATOM 411 N LEU A 224 66.690 -1.154 4.906 1.00 0.00 N ATOM 412 CA LEU A 224 66.083 -1.201 3.555 1.00 0.00 C ATOM 413 C LEU A 224 67.057 -1.814 2.560 1.00 0.00 C ATOM 414 O LEU A 224 66.761 -2.844 1.940 1.00 0.00 O ATOM 415 CB LEU A 224 65.818 0.231 3.153 1.00 0.00 C ATOM 416 CG LEU A 224 64.957 1.025 4.133 1.00 0.00 C ATOM 417 CD1 LEU A 224 64.858 2.434 3.690 1.00 0.00 C ATOM 418 CD2 LEU A 224 63.570 0.430 4.242 1.00 0.00 C ATOM 0 H LEU A 224 66.578 -0.246 5.357 1.00 0.00 H new ATOM 0 HA LEU A 224 65.173 -1.801 3.564 1.00 0.00 H new ATOM 0 HB2 LEU A 224 66.773 0.742 3.034 1.00 0.00 H new ATOM 0 HB3 LEU A 224 65.331 0.235 2.178 1.00 0.00 H new ATOM 0 HG LEU A 224 65.431 0.981 5.114 1.00 0.00 H new ATOM 0 HD11 LEU A 224 64.242 2.994 4.394 1.00 0.00 H new ATOM 0 HD12 LEU A 224 65.855 2.874 3.650 1.00 0.00 H new ATOM 0 HD13 LEU A 224 64.404 2.473 2.700 1.00 0.00 H new ATOM 0 HD21 LEU A 224 62.978 1.014 4.946 1.00 0.00 H new ATOM 0 HD22 LEU A 224 63.090 0.445 3.264 1.00 0.00 H new ATOM 0 HD23 LEU A 224 63.642 -0.599 4.595 1.00 0.00 H new ATOM 430 N ARG A 225 68.258 -1.265 2.522 1.00 0.00 N ATOM 431 CA ARG A 225 69.284 -1.643 1.570 1.00 0.00 C ATOM 432 C ARG A 225 70.035 -2.910 1.972 1.00 0.00 C ATOM 433 O ARG A 225 71.102 -3.206 1.441 1.00 0.00 O ATOM 434 CB ARG A 225 70.257 -0.528 1.409 1.00 0.00 C ATOM 435 CG ARG A 225 71.011 -0.187 2.634 1.00 0.00 C ATOM 436 CD ARG A 225 72.118 0.706 2.247 1.00 0.00 C ATOM 437 NE ARG A 225 72.898 1.184 3.390 1.00 0.00 N ATOM 438 CZ ARG A 225 74.229 1.354 3.406 1.00 0.00 C ATOM 439 NH1 ARG A 225 74.970 0.981 2.366 1.00 0.00 N ATOM 440 NH2 ARG A 225 74.814 1.861 4.479 1.00 0.00 N ATOM 0 H ARG A 225 68.552 -0.530 3.165 1.00 0.00 H new ATOM 0 HA ARG A 225 68.776 -1.852 0.628 1.00 0.00 H new ATOM 0 HB2 ARG A 225 70.965 -0.792 0.624 1.00 0.00 H new ATOM 0 HB3 ARG A 225 69.721 0.358 1.070 1.00 0.00 H new ATOM 0 HG2 ARG A 225 70.361 0.303 3.359 1.00 0.00 H new ATOM 0 HG3 ARG A 225 71.396 -1.089 3.109 1.00 0.00 H new ATOM 0 HD2 ARG A 225 72.779 0.178 1.559 1.00 0.00 H new ATOM 0 HD3 ARG A 225 71.714 1.562 1.707 1.00 0.00 H new ATOM 0 HE ARG A 225 72.388 1.406 4.245 1.00 0.00 H new ATOM 0 HH11 ARG A 225 74.527 0.562 1.548 1.00 0.00 H new ATOM 0 HH12 ARG A 225 75.981 1.114 2.386 1.00 0.00 H new ATOM 0 HH21 ARG A 225 74.254 2.121 5.291 1.00 0.00 H new ATOM 0 HH22 ARG A 225 75.825 1.992 4.495 1.00 0.00 H new ATOM 454 N CYS A 226 69.454 -3.646 2.897 1.00 0.00 N ATOM 455 CA CYS A 226 69.992 -4.867 3.443 1.00 0.00 C ATOM 456 C CYS A 226 70.651 -5.855 2.413 1.00 0.00 C ATOM 457 O CYS A 226 71.844 -6.123 2.517 1.00 0.00 O ATOM 458 CB CYS A 226 68.863 -5.453 4.257 1.00 0.00 C ATOM 459 SG CYS A 226 68.467 -7.164 4.142 1.00 0.00 S ATOM 0 H CYS A 226 68.553 -3.395 3.305 1.00 0.00 H new ATOM 0 HA CYS A 226 70.866 -4.656 4.059 1.00 0.00 H new ATOM 0 HB2 CYS A 226 69.080 -5.244 5.304 1.00 0.00 H new ATOM 0 HB3 CYS A 226 67.961 -4.897 4.001 1.00 0.00 H new ATOM 0 HG CYS A 226 67.314 -7.381 4.702 1.00 0.00 H new ATOM 464 N PRO A 227 69.916 -6.399 1.429 1.00 0.00 N ATOM 465 CA PRO A 227 70.418 -7.399 0.508 1.00 0.00 C ATOM 466 C PRO A 227 70.235 -6.920 -0.972 1.00 0.00 C ATOM 467 O PRO A 227 70.921 -5.995 -1.428 1.00 0.00 O ATOM 468 CB PRO A 227 69.384 -8.484 0.848 1.00 0.00 C ATOM 469 CG PRO A 227 68.145 -7.666 1.146 1.00 0.00 C ATOM 470 CD PRO A 227 68.539 -6.218 1.141 1.00 0.00 C ATOM 0 HA PRO A 227 71.471 -7.668 0.590 1.00 0.00 H new ATOM 0 HB2 PRO A 227 69.227 -9.171 0.017 1.00 0.00 H new ATOM 0 HB3 PRO A 227 69.691 -9.084 1.705 1.00 0.00 H new ATOM 0 HG2 PRO A 227 67.374 -7.855 0.399 1.00 0.00 H new ATOM 0 HG3 PRO A 227 67.727 -7.945 2.113 1.00 0.00 H new ATOM 0 HD2 PRO A 227 68.363 -5.731 0.182 1.00 0.00 H new ATOM 0 HD3 PRO A 227 68.018 -5.631 1.897 1.00 0.00 H new ATOM 478 N GLN A 228 69.260 -7.526 -1.674 1.00 0.00 N ATOM 479 CA GLN A 228 68.867 -7.154 -2.972 1.00 0.00 C ATOM 480 C GLN A 228 67.423 -6.710 -2.919 1.00 0.00 C ATOM 481 O GLN A 228 66.774 -6.519 -3.934 1.00 0.00 O ATOM 482 CB GLN A 228 68.998 -8.319 -3.891 1.00 0.00 C ATOM 483 CG GLN A 228 70.425 -8.674 -4.264 1.00 0.00 C ATOM 484 CD GLN A 228 71.192 -7.503 -4.863 1.00 0.00 C ATOM 485 OE1 GLN A 228 70.624 -6.614 -5.504 1.00 0.00 O ATOM 486 NE2 GLN A 228 72.476 -7.486 -4.660 1.00 0.00 N ATOM 0 H GLN A 228 68.727 -8.314 -1.305 1.00 0.00 H new ATOM 0 HA GLN A 228 69.499 -6.345 -3.339 1.00 0.00 H new ATOM 0 HB2 GLN A 228 68.532 -9.187 -3.424 1.00 0.00 H new ATOM 0 HB3 GLN A 228 68.440 -8.109 -4.803 1.00 0.00 H new ATOM 0 HG2 GLN A 228 70.949 -9.029 -3.377 1.00 0.00 H new ATOM 0 HG3 GLN A 228 70.414 -9.497 -4.978 1.00 0.00 H new ATOM 0 HE21 GLN A 228 72.918 -8.235 -4.126 1.00 0.00 H new ATOM 0 HE22 GLN A 228 73.041 -6.724 -5.034 1.00 0.00 H new ATOM 495 N HIS A 229 66.928 -6.638 -1.700 1.00 0.00 N ATOM 496 CA HIS A 229 65.624 -6.133 -1.377 1.00 0.00 C ATOM 497 C HIS A 229 65.545 -4.668 -1.741 1.00 0.00 C ATOM 498 O HIS A 229 65.902 -3.796 -0.961 1.00 0.00 O ATOM 499 CB HIS A 229 65.257 -6.292 0.103 1.00 0.00 C ATOM 500 CG HIS A 229 65.024 -7.722 0.630 1.00 0.00 C ATOM 501 ND1 HIS A 229 64.286 -8.656 0.043 1.00 0.00 N flip ATOM 502 CD2 HIS A 229 65.320 -8.188 1.995 1.00 0.00 C flip ATOM 503 CE1 HIS A 229 64.073 -9.651 0.958 1.00 0.00 C flip ATOM 504 NE2 HIS A 229 64.687 -9.289 2.091 1.00 0.00 N flip ATOM 0 H HIS A 229 67.451 -6.944 -0.879 1.00 0.00 H new ATOM 0 HA HIS A 229 64.913 -6.725 -1.953 1.00 0.00 H new ATOM 0 HB2 HIS A 229 66.052 -5.840 0.697 1.00 0.00 H new ATOM 0 HB3 HIS A 229 64.352 -5.714 0.289 1.00 0.00 H new ATOM 0 HD2 HIS A 229 65.933 -7.707 2.743 1.00 0.00 H new ATOM 0 HE1 HIS A 229 63.513 -10.560 0.796 1.00 0.00 H new ATOM 0 HE2 HIS A 229 64.651 -9.841 2.948 1.00 0.00 H new ATOM 512 N THR A 230 65.060 -4.453 -2.891 1.00 0.00 N ATOM 513 CA THR A 230 64.995 -3.171 -3.571 1.00 0.00 C ATOM 514 C THR A 230 63.972 -2.253 -2.940 1.00 0.00 C ATOM 515 O THR A 230 63.233 -2.658 -2.048 1.00 0.00 O ATOM 516 CB THR A 230 64.596 -3.393 -5.043 1.00 0.00 C ATOM 517 OG1 THR A 230 63.311 -4.030 -5.097 1.00 0.00 O ATOM 518 CG2 THR A 230 65.585 -4.282 -5.741 1.00 0.00 C ATOM 0 H THR A 230 64.659 -5.206 -3.450 1.00 0.00 H new ATOM 0 HA THR A 230 65.979 -2.708 -3.494 1.00 0.00 H new ATOM 0 HB THR A 230 64.572 -2.421 -5.536 1.00 0.00 H new ATOM 0 HG1 THR A 230 62.918 -3.899 -5.985 1.00 0.00 H new ATOM 0 HG21 THR A 230 65.280 -4.422 -6.778 1.00 0.00 H new ATOM 0 HG22 THR A 230 66.572 -3.821 -5.713 1.00 0.00 H new ATOM 0 HG23 THR A 230 65.622 -5.249 -5.240 1.00 0.00 H new ATOM 526 N ASP A 231 63.896 -1.027 -3.438 1.00 0.00 N ATOM 527 CA ASP A 231 62.916 -0.054 -2.957 1.00 0.00 C ATOM 528 C ASP A 231 61.514 -0.558 -3.210 1.00 0.00 C ATOM 529 O ASP A 231 60.631 -0.347 -2.412 1.00 0.00 O ATOM 530 CB ASP A 231 63.104 1.295 -3.641 1.00 0.00 C ATOM 531 CG ASP A 231 62.105 2.345 -3.164 1.00 0.00 C ATOM 532 OD1 ASP A 231 62.238 2.839 -2.032 1.00 0.00 O ATOM 533 OD2 ASP A 231 61.186 2.717 -3.936 1.00 0.00 O ATOM 0 H ASP A 231 64.503 -0.678 -4.179 1.00 0.00 H new ATOM 0 HA ASP A 231 63.068 0.075 -1.885 1.00 0.00 H new ATOM 0 HB2 ASP A 231 64.117 1.653 -3.456 1.00 0.00 H new ATOM 0 HB3 ASP A 231 63.003 1.168 -4.719 1.00 0.00 H new ATOM 538 N GLU A 232 61.369 -1.339 -4.283 1.00 0.00 N ATOM 539 CA GLU A 232 60.074 -1.888 -4.725 1.00 0.00 C ATOM 540 C GLU A 232 59.625 -2.859 -3.682 1.00 0.00 C ATOM 541 O GLU A 232 58.470 -2.988 -3.373 1.00 0.00 O ATOM 542 CB GLU A 232 60.280 -2.714 -5.979 1.00 0.00 C ATOM 543 CG GLU A 232 61.074 -2.066 -7.074 1.00 0.00 C ATOM 544 CD GLU A 232 61.615 -3.109 -8.001 1.00 0.00 C ATOM 545 OE1 GLU A 232 60.947 -3.471 -8.975 1.00 0.00 O ATOM 546 OE2 GLU A 232 62.735 -3.620 -7.741 1.00 0.00 O ATOM 0 H GLU A 232 62.151 -1.614 -4.878 1.00 0.00 H new ATOM 0 HA GLU A 232 59.368 -1.075 -4.894 1.00 0.00 H new ATOM 0 HB2 GLU A 232 60.776 -3.643 -5.700 1.00 0.00 H new ATOM 0 HB3 GLU A 232 59.302 -2.982 -6.378 1.00 0.00 H new ATOM 0 HG2 GLU A 232 60.445 -1.368 -7.626 1.00 0.00 H new ATOM 0 HG3 GLU A 232 61.893 -1.487 -6.647 1.00 0.00 H new ATOM 553 N GLN A 233 60.588 -3.525 -3.154 1.00 0.00 N ATOM 554 CA GLN A 233 60.429 -4.535 -2.179 1.00 0.00 C ATOM 555 C GLN A 233 59.958 -3.996 -0.848 1.00 0.00 C ATOM 556 O GLN A 233 59.096 -4.568 -0.192 1.00 0.00 O ATOM 557 CB GLN A 233 61.733 -5.297 -2.123 1.00 0.00 C ATOM 558 CG GLN A 233 61.762 -6.309 -3.229 1.00 0.00 C ATOM 559 CD GLN A 233 62.946 -7.176 -3.250 1.00 0.00 C ATOM 560 OE1 GLN A 233 63.880 -6.805 -4.051 1.00 0.00 O flip ATOM 561 NE2 GLN A 233 62.989 -8.217 -2.610 1.00 0.00 N flip ATOM 0 H GLN A 233 61.563 -3.368 -3.408 1.00 0.00 H new ATOM 0 HA GLN A 233 59.627 -5.220 -2.454 1.00 0.00 H new ATOM 0 HB2 GLN A 233 62.574 -4.610 -2.221 1.00 0.00 H new ATOM 0 HB3 GLN A 233 61.837 -5.793 -1.158 1.00 0.00 H new ATOM 0 HG2 GLN A 233 60.874 -6.936 -3.150 1.00 0.00 H new ATOM 0 HG3 GLN A 233 61.698 -5.784 -4.182 1.00 0.00 H new ATOM 0 HE21 GLN A 233 62.220 -8.465 -1.987 1.00 0.00 H new ATOM 0 HE22 GLN A 233 63.794 -8.837 -2.699 1.00 0.00 H new ATOM 570 N ARG A 234 60.455 -2.866 -0.505 1.00 0.00 N ATOM 571 CA ARG A 234 60.099 -2.193 0.745 1.00 0.00 C ATOM 572 C ARG A 234 58.786 -1.490 0.523 1.00 0.00 C ATOM 573 O ARG A 234 57.975 -1.299 1.414 1.00 0.00 O ATOM 574 CB ARG A 234 61.182 -1.195 1.041 1.00 0.00 C ATOM 575 CG ARG A 234 62.508 -1.784 0.713 1.00 0.00 C ATOM 576 CD ARG A 234 63.620 -0.852 0.891 1.00 0.00 C ATOM 577 NE ARG A 234 64.801 -1.365 0.201 1.00 0.00 N ATOM 578 CZ ARG A 234 65.779 -0.610 -0.335 1.00 0.00 C ATOM 579 NH1 ARG A 234 65.697 0.711 -0.307 1.00 0.00 N ATOM 580 NH2 ARG A 234 66.820 -1.192 -0.906 1.00 0.00 N ATOM 0 H ARG A 234 61.131 -2.354 -1.072 1.00 0.00 H new ATOM 0 HA ARG A 234 60.003 -2.889 1.579 1.00 0.00 H new ATOM 0 HB2 ARG A 234 61.022 -0.287 0.459 1.00 0.00 H new ATOM 0 HB3 ARG A 234 61.150 -0.910 2.093 1.00 0.00 H new ATOM 0 HG2 ARG A 234 62.674 -2.659 1.342 1.00 0.00 H new ATOM 0 HG3 ARG A 234 62.497 -2.131 -0.320 1.00 0.00 H new ATOM 0 HD2 ARG A 234 63.353 0.129 0.497 1.00 0.00 H new ATOM 0 HD3 ARG A 234 63.833 -0.722 1.952 1.00 0.00 H new ATOM 0 HE ARG A 234 64.892 -2.378 0.118 1.00 0.00 H new ATOM 0 HH11 ARG A 234 64.890 1.163 0.122 1.00 0.00 H new ATOM 0 HH12 ARG A 234 66.441 1.277 -0.715 1.00 0.00 H new ATOM 0 HH21 ARG A 234 66.880 -2.210 -0.940 1.00 0.00 H new ATOM 0 HH22 ARG A 234 67.563 -0.623 -1.313 1.00 0.00 H new ATOM 594 N ARG A 235 58.586 -1.181 -0.709 1.00 0.00 N ATOM 595 CA ARG A 235 57.392 -0.491 -1.198 1.00 0.00 C ATOM 596 C ARG A 235 56.235 -1.453 -1.097 1.00 0.00 C ATOM 597 O ARG A 235 55.176 -1.130 -0.577 1.00 0.00 O ATOM 598 CB ARG A 235 57.581 -0.085 -2.667 1.00 0.00 C ATOM 599 CG ARG A 235 56.484 0.783 -3.234 1.00 0.00 C ATOM 600 CD ARG A 235 56.510 2.137 -2.582 1.00 0.00 C ATOM 601 NE ARG A 235 57.780 2.825 -2.842 1.00 0.00 N ATOM 602 CZ ARG A 235 58.246 3.886 -2.180 1.00 0.00 C ATOM 603 NH1 ARG A 235 57.485 4.512 -1.276 1.00 0.00 N ATOM 604 NH2 ARG A 235 59.471 4.329 -2.440 1.00 0.00 N ATOM 0 H ARG A 235 59.256 -1.398 -1.447 1.00 0.00 H new ATOM 0 HA ARG A 235 57.209 0.407 -0.608 1.00 0.00 H new ATOM 0 HB2 ARG A 235 58.529 0.444 -2.763 1.00 0.00 H new ATOM 0 HB3 ARG A 235 57.658 -0.989 -3.271 1.00 0.00 H new ATOM 0 HG2 ARG A 235 56.612 0.887 -4.312 1.00 0.00 H new ATOM 0 HG3 ARG A 235 55.515 0.311 -3.072 1.00 0.00 H new ATOM 0 HD2 ARG A 235 55.683 2.740 -2.956 1.00 0.00 H new ATOM 0 HD3 ARG A 235 56.365 2.029 -1.507 1.00 0.00 H new ATOM 0 HE ARG A 235 58.359 2.459 -3.598 1.00 0.00 H new ATOM 0 HH11 ARG A 235 56.539 4.179 -1.087 1.00 0.00 H new ATOM 0 HH12 ARG A 235 57.850 5.322 -0.775 1.00 0.00 H new ATOM 0 HH21 ARG A 235 60.045 3.859 -3.140 1.00 0.00 H new ATOM 0 HH22 ARG A 235 59.837 5.139 -1.940 1.00 0.00 H new ATOM 618 N THR A 236 56.512 -2.642 -1.560 1.00 0.00 N ATOM 619 CA THR A 236 55.646 -3.783 -1.565 1.00 0.00 C ATOM 620 C THR A 236 55.060 -4.050 -0.184 1.00 0.00 C ATOM 621 O THR A 236 53.863 -4.312 -0.043 1.00 0.00 O ATOM 622 CB THR A 236 56.492 -4.994 -2.047 1.00 0.00 C ATOM 623 OG1 THR A 236 56.677 -4.975 -3.461 1.00 0.00 O ATOM 624 CG2 THR A 236 56.006 -6.339 -1.556 1.00 0.00 C ATOM 0 H THR A 236 57.420 -2.851 -1.975 1.00 0.00 H new ATOM 0 HA THR A 236 54.799 -3.608 -2.229 1.00 0.00 H new ATOM 0 HB THR A 236 57.466 -4.866 -1.575 1.00 0.00 H new ATOM 0 HG1 THR A 236 57.430 -4.388 -3.685 1.00 0.00 H new ATOM 0 HG21 THR A 236 56.656 -7.124 -1.942 1.00 0.00 H new ATOM 0 HG22 THR A 236 56.023 -6.356 -0.466 1.00 0.00 H new ATOM 0 HG23 THR A 236 54.987 -6.507 -1.905 1.00 0.00 H new ATOM 632 N VAL A 237 55.882 -3.950 0.816 1.00 0.00 N ATOM 633 CA VAL A 237 55.445 -4.256 2.122 1.00 0.00 C ATOM 634 C VAL A 237 54.703 -3.066 2.758 1.00 0.00 C ATOM 635 O VAL A 237 53.715 -3.251 3.461 1.00 0.00 O ATOM 636 CB VAL A 237 56.606 -4.774 2.980 1.00 0.00 C ATOM 637 CG1 VAL A 237 57.566 -3.689 3.422 1.00 0.00 C ATOM 638 CG2 VAL A 237 56.103 -5.589 4.115 1.00 0.00 C ATOM 0 H VAL A 237 56.856 -3.658 0.741 1.00 0.00 H new ATOM 0 HA VAL A 237 54.718 -5.066 2.064 1.00 0.00 H new ATOM 0 HB VAL A 237 57.201 -5.425 2.340 1.00 0.00 H new ATOM 0 HG11 VAL A 237 58.361 -4.129 4.024 1.00 0.00 H new ATOM 0 HG12 VAL A 237 58.000 -3.208 2.545 1.00 0.00 H new ATOM 0 HG13 VAL A 237 57.030 -2.948 4.015 1.00 0.00 H new ATOM 0 HG21 VAL A 237 56.945 -5.945 4.709 1.00 0.00 H new ATOM 0 HG22 VAL A 237 55.451 -4.979 4.740 1.00 0.00 H new ATOM 0 HG23 VAL A 237 55.544 -6.442 3.731 1.00 0.00 H new ATOM 648 N ARG A 238 55.148 -1.848 2.451 1.00 0.00 N ATOM 649 CA ARG A 238 54.506 -0.636 2.942 1.00 0.00 C ATOM 650 C ARG A 238 53.110 -0.506 2.366 1.00 0.00 C ATOM 651 O ARG A 238 52.170 -0.241 3.079 1.00 0.00 O ATOM 652 CB ARG A 238 55.312 0.599 2.540 1.00 0.00 C ATOM 653 CG ARG A 238 56.626 0.799 3.263 1.00 0.00 C ATOM 654 CD ARG A 238 57.426 1.870 2.564 1.00 0.00 C ATOM 655 NE ARG A 238 58.635 2.306 3.280 1.00 0.00 N ATOM 656 CZ ARG A 238 59.154 3.561 3.196 1.00 0.00 C ATOM 657 NH1 ARG A 238 58.498 4.505 2.551 1.00 0.00 N ATOM 658 NH2 ARG A 238 60.293 3.868 3.793 1.00 0.00 N ATOM 0 H ARG A 238 55.960 -1.677 1.858 1.00 0.00 H new ATOM 0 HA ARG A 238 54.454 -0.704 4.029 1.00 0.00 H new ATOM 0 HB2 ARG A 238 55.514 0.544 1.470 1.00 0.00 H new ATOM 0 HB3 ARG A 238 54.693 1.481 2.703 1.00 0.00 H new ATOM 0 HG2 ARG A 238 56.444 1.084 4.299 1.00 0.00 H new ATOM 0 HG3 ARG A 238 57.188 -0.135 3.284 1.00 0.00 H new ATOM 0 HD2 ARG A 238 57.717 1.502 1.580 1.00 0.00 H new ATOM 0 HD3 ARG A 238 56.784 2.736 2.403 1.00 0.00 H new ATOM 0 HE ARG A 238 59.112 1.628 3.874 1.00 0.00 H new ATOM 0 HH11 ARG A 238 57.600 4.295 2.114 1.00 0.00 H new ATOM 0 HH12 ARG A 238 58.888 5.445 2.489 1.00 0.00 H new ATOM 0 HH21 ARG A 238 60.796 3.159 4.326 1.00 0.00 H new ATOM 0 HH22 ARG A 238 60.668 4.814 3.720 1.00 0.00 H new ATOM 672 N VAL A 239 52.995 -0.734 1.081 1.00 0.00 N ATOM 673 CA VAL A 239 51.738 -0.574 0.364 1.00 0.00 C ATOM 674 C VAL A 239 50.710 -1.594 0.886 1.00 0.00 C ATOM 675 O VAL A 239 49.506 -1.345 0.954 1.00 0.00 O ATOM 676 CB VAL A 239 52.006 -0.733 -1.166 1.00 0.00 C ATOM 677 CG1 VAL A 239 52.042 -2.160 -1.644 1.00 0.00 C ATOM 678 CG2 VAL A 239 51.130 0.122 -2.023 1.00 0.00 C ATOM 0 H VAL A 239 53.771 -1.038 0.493 1.00 0.00 H new ATOM 0 HA VAL A 239 51.321 0.419 0.532 1.00 0.00 H new ATOM 0 HB VAL A 239 53.021 -0.354 -1.289 1.00 0.00 H new ATOM 0 HG11 VAL A 239 52.233 -2.180 -2.717 1.00 0.00 H new ATOM 0 HG12 VAL A 239 52.835 -2.698 -1.124 1.00 0.00 H new ATOM 0 HG13 VAL A 239 51.084 -2.637 -1.437 1.00 0.00 H new ATOM 0 HG21 VAL A 239 51.375 -0.043 -3.072 1.00 0.00 H new ATOM 0 HG22 VAL A 239 50.086 -0.137 -1.849 1.00 0.00 H new ATOM 0 HG23 VAL A 239 51.290 1.171 -1.774 1.00 0.00 H new ATOM 688 N TYR A 240 51.229 -2.709 1.278 1.00 0.00 N ATOM 689 CA TYR A 240 50.456 -3.777 1.843 1.00 0.00 C ATOM 690 C TYR A 240 50.018 -3.448 3.294 1.00 0.00 C ATOM 691 O TYR A 240 48.836 -3.494 3.625 1.00 0.00 O ATOM 692 CB TYR A 240 51.312 -5.044 1.796 1.00 0.00 C ATOM 693 CG TYR A 240 50.707 -6.246 2.436 1.00 0.00 C ATOM 694 CD1 TYR A 240 49.811 -7.041 1.755 1.00 0.00 C ATOM 695 CD2 TYR A 240 51.047 -6.590 3.728 1.00 0.00 C ATOM 696 CE1 TYR A 240 49.263 -8.150 2.347 1.00 0.00 C ATOM 697 CE2 TYR A 240 50.513 -7.683 4.332 1.00 0.00 C ATOM 698 CZ TYR A 240 49.613 -8.473 3.637 1.00 0.00 C ATOM 699 OH TYR A 240 49.064 -9.594 4.235 1.00 0.00 O ATOM 0 H TYR A 240 52.226 -2.913 1.215 1.00 0.00 H new ATOM 0 HA TYR A 240 49.540 -3.921 1.270 1.00 0.00 H new ATOM 0 HB2 TYR A 240 51.528 -5.278 0.754 1.00 0.00 H new ATOM 0 HB3 TYR A 240 52.266 -4.836 2.281 1.00 0.00 H new ATOM 0 HD1 TYR A 240 49.537 -6.787 0.742 1.00 0.00 H new ATOM 0 HD2 TYR A 240 51.752 -5.978 4.270 1.00 0.00 H new ATOM 0 HE1 TYR A 240 48.561 -8.766 1.804 1.00 0.00 H new ATOM 0 HE2 TYR A 240 50.788 -7.934 5.346 1.00 0.00 H new ATOM 0 HH TYR A 240 49.414 -9.683 5.146 1.00 0.00 H new ATOM 709 N PHE A 241 50.973 -3.097 4.129 1.00 0.00 N ATOM 710 CA PHE A 241 50.719 -2.792 5.529 1.00 0.00 C ATOM 711 C PHE A 241 50.065 -1.436 5.792 1.00 0.00 C ATOM 712 O PHE A 241 49.034 -1.364 6.463 1.00 0.00 O ATOM 713 CB PHE A 241 52.013 -2.827 6.310 1.00 0.00 C ATOM 714 CG PHE A 241 52.535 -4.170 6.699 1.00 0.00 C ATOM 715 CD1 PHE A 241 51.732 -5.105 7.346 1.00 0.00 C ATOM 716 CD2 PHE A 241 53.853 -4.474 6.479 1.00 0.00 C ATOM 717 CE1 PHE A 241 52.259 -6.320 7.759 1.00 0.00 C ATOM 718 CE2 PHE A 241 54.373 -5.688 6.882 1.00 0.00 C ATOM 719 CZ PHE A 241 53.586 -6.602 7.519 1.00 0.00 C ATOM 0 H PHE A 241 51.953 -3.014 3.859 1.00 0.00 H new ATOM 0 HA PHE A 241 50.013 -3.559 5.849 1.00 0.00 H new ATOM 0 HB2 PHE A 241 52.779 -2.324 5.719 1.00 0.00 H new ATOM 0 HB3 PHE A 241 51.876 -2.241 7.219 1.00 0.00 H new ATOM 0 HD1 PHE A 241 50.691 -4.883 7.528 1.00 0.00 H new ATOM 0 HD2 PHE A 241 54.492 -3.757 5.985 1.00 0.00 H new ATOM 0 HE1 PHE A 241 51.633 -7.040 8.265 1.00 0.00 H new ATOM 0 HE2 PHE A 241 55.411 -5.916 6.691 1.00 0.00 H new ATOM 0 HZ PHE A 241 54.003 -7.547 7.835 1.00 0.00 H new ATOM 729 N LEU A 242 50.632 -0.384 5.267 1.00 0.00 N ATOM 730 CA LEU A 242 50.210 0.957 5.638 1.00 0.00 C ATOM 731 C LEU A 242 49.348 1.670 4.602 1.00 0.00 C ATOM 732 O LEU A 242 48.979 2.838 4.802 1.00 0.00 O ATOM 733 CB LEU A 242 51.399 1.831 6.120 1.00 0.00 C ATOM 734 CG LEU A 242 52.667 1.816 5.261 1.00 0.00 C ATOM 735 CD1 LEU A 242 53.114 3.225 4.933 1.00 0.00 C ATOM 736 CD2 LEU A 242 53.784 1.070 5.989 1.00 0.00 C ATOM 0 H LEU A 242 51.387 -0.420 4.582 1.00 0.00 H new ATOM 0 HA LEU A 242 49.542 0.810 6.487 1.00 0.00 H new ATOM 0 HB2 LEU A 242 51.053 2.862 6.195 1.00 0.00 H new ATOM 0 HB3 LEU A 242 51.668 1.511 7.127 1.00 0.00 H new ATOM 0 HG LEU A 242 52.441 1.302 4.327 1.00 0.00 H new ATOM 0 HD11 LEU A 242 54.016 3.188 4.322 1.00 0.00 H new ATOM 0 HD12 LEU A 242 52.325 3.738 4.384 1.00 0.00 H new ATOM 0 HD13 LEU A 242 53.323 3.765 5.857 1.00 0.00 H new ATOM 0 HD21 LEU A 242 54.681 1.065 5.370 1.00 0.00 H new ATOM 0 HD22 LEU A 242 53.998 1.568 6.935 1.00 0.00 H new ATOM 0 HD23 LEU A 242 53.471 0.044 6.182 1.00 0.00 H new ATOM 748 N GLY A 243 49.019 1.014 3.519 1.00 0.00 N ATOM 749 CA GLY A 243 48.075 1.602 2.616 1.00 0.00 C ATOM 750 C GLY A 243 48.529 1.604 1.191 1.00 0.00 C ATOM 751 O GLY A 243 49.721 1.708 0.923 1.00 0.00 O ATOM 0 H GLY A 243 49.380 0.099 3.249 1.00 0.00 H new ATOM 0 HA2 GLY A 243 47.132 1.061 2.687 1.00 0.00 H new ATOM 0 HA3 GLY A 243 47.878 2.628 2.927 1.00 0.00 H new