USER MOD reduce.3.24.130724 H: found=0, std=0, add=344, rem=0, adj=12 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 67:sc= -0.607 USER MOD Set 1.2: A 220 CYS SG : rot 130:sc= 0.0338 USER MOD Set 1.3: A 226 CYS SG : rot -168:sc= -5.45! USER MOD Set 1.4: A 229 HIS : no HD1:sc= -9.98! C(o=-20!,f=-21!) USER MOD Set 1.5: A 230 THR OG1 : rot 175:sc= -0.369 USER MOD Set 1.6: A 233 GLN : amide:sc= -4.13! C(o=-20!,f=-27!) USER MOD Single : A 203 SER OG : rot 64:sc= 1.27 USER MOD Single : A 206 THR OG1 : rot 98:sc= 0.0917 USER MOD Single : A 207 THR OG1 : rot -34:sc= 0.263 USER MOD Single : A 208 GLN : amide:sc= -1.15! K(o=-1.2!,f=-0.23) USER MOD Single : A 218 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 219 MET CE :methyl 170:sc= -0.199 (180deg=-0.523) USER MOD Single : A 221 THR OG1 : rot -27:sc= 0.676 USER MOD Single : A 223 SER OG : rot 180:sc= -0.05 USER MOD Single : A 228 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 236 THR OG1 : rot 72:sc= 1.22 USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 198 50.523 -0.941 14.038 1.00 0.00 N ATOM 2 CA PRO A 198 50.717 -0.331 12.724 1.00 0.00 C ATOM 3 C PRO A 198 51.633 0.895 12.741 1.00 0.00 C ATOM 4 O PRO A 198 52.429 1.066 11.840 1.00 0.00 O ATOM 5 CB PRO A 198 49.303 0.045 12.271 1.00 0.00 C ATOM 6 CG PRO A 198 48.504 0.108 13.528 1.00 0.00 C ATOM 7 CD PRO A 198 49.110 -0.911 14.451 1.00 0.00 C ATOM 0 HA PRO A 198 51.220 -1.023 12.048 1.00 0.00 H new ATOM 0 HB2 PRO A 198 49.296 1.002 11.750 1.00 0.00 H new ATOM 0 HB3 PRO A 198 48.898 -0.696 11.582 1.00 0.00 H new ATOM 0 HG2 PRO A 198 48.543 1.105 13.967 1.00 0.00 H new ATOM 0 HG3 PRO A 198 47.454 -0.114 13.336 1.00 0.00 H new ATOM 0 HD2 PRO A 198 49.002 -0.622 15.496 1.00 0.00 H new ATOM 0 HD3 PRO A 198 48.637 -1.887 14.340 1.00 0.00 H new ATOM 15 N GLU A 199 51.565 1.708 13.786 1.00 0.00 N ATOM 16 CA GLU A 199 52.379 2.917 13.840 1.00 0.00 C ATOM 17 C GLU A 199 53.835 2.615 14.145 1.00 0.00 C ATOM 18 O GLU A 199 54.727 3.303 13.663 1.00 0.00 O ATOM 19 CB GLU A 199 51.799 3.963 14.780 1.00 0.00 C ATOM 20 CG GLU A 199 50.545 4.630 14.236 1.00 0.00 C ATOM 21 CD GLU A 199 50.797 5.333 12.906 1.00 0.00 C ATOM 22 OE1 GLU A 199 51.826 6.018 12.773 1.00 0.00 O ATOM 23 OE2 GLU A 199 49.945 5.243 11.988 1.00 0.00 O ATOM 0 H GLU A 199 50.965 1.557 14.597 1.00 0.00 H new ATOM 0 HA GLU A 199 52.354 3.352 12.841 1.00 0.00 H new ATOM 0 HB2 GLU A 199 51.567 3.494 15.736 1.00 0.00 H new ATOM 0 HB3 GLU A 199 52.553 4.726 14.974 1.00 0.00 H new ATOM 0 HG2 GLU A 199 49.764 3.881 14.107 1.00 0.00 H new ATOM 0 HG3 GLU A 199 50.176 5.353 14.963 1.00 0.00 H new ATOM 30 N GLU A 200 54.067 1.562 14.898 1.00 0.00 N ATOM 31 CA GLU A 200 55.368 1.065 15.197 1.00 0.00 C ATOM 32 C GLU A 200 56.003 0.614 13.894 1.00 0.00 C ATOM 33 O GLU A 200 57.107 1.005 13.531 1.00 0.00 O ATOM 34 CB GLU A 200 55.112 -0.133 16.044 1.00 0.00 C ATOM 35 CG GLU A 200 56.252 -1.058 16.218 1.00 0.00 C ATOM 36 CD GLU A 200 57.347 -0.518 17.109 1.00 0.00 C ATOM 37 OE1 GLU A 200 57.159 -0.476 18.339 1.00 0.00 O ATOM 38 OE2 GLU A 200 58.425 -0.153 16.600 1.00 0.00 O ATOM 0 H GLU A 200 53.320 1.017 15.328 1.00 0.00 H new ATOM 0 HA GLU A 200 56.015 1.796 15.682 1.00 0.00 H new ATOM 0 HB2 GLU A 200 54.790 0.205 17.029 1.00 0.00 H new ATOM 0 HB3 GLU A 200 54.281 -0.689 15.610 1.00 0.00 H new ATOM 0 HG2 GLU A 200 55.886 -1.996 16.636 1.00 0.00 H new ATOM 0 HG3 GLU A 200 56.673 -1.288 15.239 1.00 0.00 H new ATOM 45 N LEU A 201 55.250 -0.178 13.196 1.00 0.00 N ATOM 46 CA LEU A 201 55.618 -0.739 11.942 1.00 0.00 C ATOM 47 C LEU A 201 55.852 0.337 10.875 1.00 0.00 C ATOM 48 O LEU A 201 56.788 0.272 10.090 1.00 0.00 O ATOM 49 CB LEU A 201 54.525 -1.696 11.536 1.00 0.00 C ATOM 50 CG LEU A 201 54.537 -2.067 10.085 1.00 0.00 C ATOM 51 CD1 LEU A 201 54.320 -3.533 9.899 1.00 0.00 C ATOM 52 CD2 LEU A 201 53.458 -1.301 9.369 1.00 0.00 C ATOM 0 H LEU A 201 54.320 -0.461 13.503 1.00 0.00 H new ATOM 0 HA LEU A 201 56.567 -1.267 12.037 1.00 0.00 H new ATOM 0 HB2 LEU A 201 54.614 -2.604 12.132 1.00 0.00 H new ATOM 0 HB3 LEU A 201 53.560 -1.250 11.777 1.00 0.00 H new ATOM 0 HG LEU A 201 55.514 -1.815 9.672 1.00 0.00 H new ATOM 0 HD11 LEU A 201 54.334 -3.771 8.835 1.00 0.00 H new ATOM 0 HD12 LEU A 201 55.112 -4.085 10.405 1.00 0.00 H new ATOM 0 HD13 LEU A 201 53.355 -3.814 10.321 1.00 0.00 H new ATOM 0 HD21 LEU A 201 53.463 -1.568 8.312 1.00 0.00 H new ATOM 0 HD22 LEU A 201 52.488 -1.548 9.801 1.00 0.00 H new ATOM 0 HD23 LEU A 201 53.640 -0.231 9.474 1.00 0.00 H new ATOM 64 N ARG A 202 54.983 1.284 10.843 1.00 0.00 N ATOM 65 CA ARG A 202 55.059 2.401 9.973 1.00 0.00 C ATOM 66 C ARG A 202 56.301 3.223 10.284 1.00 0.00 C ATOM 67 O ARG A 202 56.937 3.768 9.385 1.00 0.00 O ATOM 68 CB ARG A 202 53.791 3.182 10.160 1.00 0.00 C ATOM 69 CG ARG A 202 53.690 4.425 9.387 1.00 0.00 C ATOM 70 CD ARG A 202 52.299 4.989 9.531 1.00 0.00 C ATOM 71 NE ARG A 202 52.045 6.113 8.638 1.00 0.00 N ATOM 72 CZ ARG A 202 50.920 6.827 8.632 1.00 0.00 C ATOM 73 NH1 ARG A 202 50.039 6.687 9.621 1.00 0.00 N ATOM 74 NH2 ARG A 202 50.695 7.706 7.656 1.00 0.00 N ATOM 0 H ARG A 202 54.164 1.301 11.450 1.00 0.00 H new ATOM 0 HA ARG A 202 55.150 2.099 8.930 1.00 0.00 H new ATOM 0 HB2 ARG A 202 52.949 2.542 9.896 1.00 0.00 H new ATOM 0 HB3 ARG A 202 53.688 3.424 11.218 1.00 0.00 H new ATOM 0 HG2 ARG A 202 54.426 5.147 9.740 1.00 0.00 H new ATOM 0 HG3 ARG A 202 53.910 4.233 8.337 1.00 0.00 H new ATOM 0 HD2 ARG A 202 51.571 4.202 9.332 1.00 0.00 H new ATOM 0 HD3 ARG A 202 52.148 5.310 10.562 1.00 0.00 H new ATOM 0 HE ARG A 202 52.776 6.370 7.975 1.00 0.00 H new ATOM 0 HH11 ARG A 202 50.226 6.034 10.382 1.00 0.00 H new ATOM 0 HH12 ARG A 202 49.177 7.233 9.618 1.00 0.00 H new ATOM 0 HH21 ARG A 202 51.384 7.832 6.914 1.00 0.00 H new ATOM 0 HH22 ARG A 202 49.834 8.253 7.651 1.00 0.00 H new ATOM 88 N SER A 203 56.672 3.246 11.549 1.00 0.00 N ATOM 89 CA SER A 203 57.894 3.940 11.972 1.00 0.00 C ATOM 90 C SER A 203 59.117 3.110 11.565 1.00 0.00 C ATOM 91 O SER A 203 60.210 3.641 11.328 1.00 0.00 O ATOM 92 CB SER A 203 57.904 4.164 13.488 1.00 0.00 C ATOM 93 OG SER A 203 56.811 4.972 13.916 1.00 0.00 O ATOM 0 H SER A 203 56.155 2.798 12.305 1.00 0.00 H new ATOM 0 HA SER A 203 57.926 4.914 11.483 1.00 0.00 H new ATOM 0 HB2 SER A 203 57.864 3.201 13.997 1.00 0.00 H new ATOM 0 HB3 SER A 203 58.841 4.639 13.778 1.00 0.00 H new ATOM 0 HG SER A 203 55.968 4.508 13.728 1.00 0.00 H new ATOM 99 N LEU A 204 58.902 1.803 11.482 1.00 0.00 N ATOM 100 CA LEU A 204 59.908 0.849 11.097 1.00 0.00 C ATOM 101 C LEU A 204 60.304 1.107 9.654 1.00 0.00 C ATOM 102 O LEU A 204 61.455 1.429 9.369 1.00 0.00 O ATOM 103 CB LEU A 204 59.350 -0.598 11.292 1.00 0.00 C ATOM 104 CG LEU A 204 60.308 -1.777 11.046 1.00 0.00 C ATOM 105 CD1 LEU A 204 59.995 -2.915 11.977 1.00 0.00 C ATOM 106 CD2 LEU A 204 60.191 -2.283 9.613 1.00 0.00 C ATOM 0 H LEU A 204 57.998 1.377 11.688 1.00 0.00 H new ATOM 0 HA LEU A 204 60.796 0.953 11.720 1.00 0.00 H new ATOM 0 HB2 LEU A 204 58.976 -0.678 12.313 1.00 0.00 H new ATOM 0 HB3 LEU A 204 58.494 -0.719 10.629 1.00 0.00 H new ATOM 0 HG LEU A 204 61.321 -1.417 11.226 1.00 0.00 H new ATOM 0 HD11 LEU A 204 60.683 -3.739 11.788 1.00 0.00 H new ATOM 0 HD12 LEU A 204 60.103 -2.581 13.009 1.00 0.00 H new ATOM 0 HD13 LEU A 204 58.972 -3.251 11.810 1.00 0.00 H new ATOM 0 HD21 LEU A 204 60.878 -3.116 9.464 1.00 0.00 H new ATOM 0 HD22 LEU A 204 59.170 -2.617 9.427 1.00 0.00 H new ATOM 0 HD23 LEU A 204 60.441 -1.478 8.921 1.00 0.00 H new ATOM 118 N LEU A 205 59.321 1.068 8.772 1.00 0.00 N ATOM 119 CA LEU A 205 59.522 1.212 7.330 1.00 0.00 C ATOM 120 C LEU A 205 60.246 2.479 6.860 1.00 0.00 C ATOM 121 O LEU A 205 60.608 2.571 5.692 1.00 0.00 O ATOM 122 CB LEU A 205 58.226 1.008 6.543 1.00 0.00 C ATOM 123 CG LEU A 205 57.962 -0.402 6.006 1.00 0.00 C ATOM 124 CD1 LEU A 205 59.133 -0.886 5.184 1.00 0.00 C ATOM 125 CD2 LEU A 205 57.658 -1.376 7.096 1.00 0.00 C ATOM 0 H LEU A 205 58.345 0.934 9.035 1.00 0.00 H new ATOM 0 HA LEU A 205 60.218 0.404 7.106 1.00 0.00 H new ATOM 0 HB2 LEU A 205 57.391 1.290 7.184 1.00 0.00 H new ATOM 0 HB3 LEU A 205 58.228 1.699 5.700 1.00 0.00 H new ATOM 0 HG LEU A 205 57.079 -0.340 5.370 1.00 0.00 H new ATOM 0 HD11 LEU A 205 58.926 -1.889 4.812 1.00 0.00 H new ATOM 0 HD12 LEU A 205 59.290 -0.212 4.342 1.00 0.00 H new ATOM 0 HD13 LEU A 205 60.029 -0.907 5.804 1.00 0.00 H new ATOM 0 HD21 LEU A 205 57.478 -2.361 6.664 1.00 0.00 H new ATOM 0 HD22 LEU A 205 58.503 -1.429 7.782 1.00 0.00 H new ATOM 0 HD23 LEU A 205 56.770 -1.050 7.638 1.00 0.00 H new ATOM 137 N THR A 206 60.452 3.432 7.726 1.00 0.00 N ATOM 138 CA THR A 206 61.170 4.612 7.382 1.00 0.00 C ATOM 139 C THR A 206 62.675 4.284 7.155 1.00 0.00 C ATOM 140 O THR A 206 63.316 4.840 6.263 1.00 0.00 O ATOM 141 CB THR A 206 61.042 5.608 8.524 1.00 0.00 C ATOM 142 OG1 THR A 206 59.669 5.652 8.950 1.00 0.00 O ATOM 143 CG2 THR A 206 61.457 6.985 8.077 1.00 0.00 C ATOM 0 H THR A 206 60.123 3.405 8.691 1.00 0.00 H new ATOM 0 HA THR A 206 60.760 5.030 6.463 1.00 0.00 H new ATOM 0 HB THR A 206 61.690 5.292 9.342 1.00 0.00 H new ATOM 0 HG1 THR A 206 59.553 5.084 9.740 1.00 0.00 H new ATOM 0 HG21 THR A 206 61.358 7.683 8.909 1.00 0.00 H new ATOM 0 HG22 THR A 206 62.495 6.962 7.744 1.00 0.00 H new ATOM 0 HG23 THR A 206 60.819 7.308 7.254 1.00 0.00 H new ATOM 151 N THR A 207 63.210 3.351 7.936 1.00 0.00 N ATOM 152 CA THR A 207 64.633 3.043 7.856 1.00 0.00 C ATOM 153 C THR A 207 64.905 1.528 7.985 1.00 0.00 C ATOM 154 O THR A 207 66.047 1.077 7.889 1.00 0.00 O ATOM 155 CB THR A 207 65.418 3.838 8.958 1.00 0.00 C ATOM 156 OG1 THR A 207 66.837 3.649 8.826 1.00 0.00 O ATOM 157 CG2 THR A 207 64.987 3.422 10.363 1.00 0.00 C ATOM 0 H THR A 207 62.690 2.803 8.621 1.00 0.00 H new ATOM 0 HA THR A 207 64.984 3.351 6.871 1.00 0.00 H new ATOM 0 HB THR A 207 65.181 4.892 8.812 1.00 0.00 H new ATOM 0 HG1 THR A 207 67.018 2.739 8.511 1.00 0.00 H new ATOM 0 HG21 THR A 207 65.551 3.993 11.101 1.00 0.00 H new ATOM 0 HG22 THR A 207 63.922 3.618 10.490 1.00 0.00 H new ATOM 0 HG23 THR A 207 65.180 2.358 10.503 1.00 0.00 H new ATOM 165 N GLN A 208 63.865 0.769 8.183 1.00 0.00 N ATOM 166 CA GLN A 208 63.960 -0.652 8.380 1.00 0.00 C ATOM 167 C GLN A 208 63.343 -1.365 7.183 1.00 0.00 C ATOM 168 O GLN A 208 62.248 -1.020 6.761 1.00 0.00 O ATOM 169 CB GLN A 208 63.219 -0.996 9.666 1.00 0.00 C ATOM 170 CG GLN A 208 63.849 -0.419 10.930 1.00 0.00 C ATOM 171 CD GLN A 208 65.066 -1.175 11.368 1.00 0.00 C ATOM 172 OE1 GLN A 208 66.013 -0.603 11.901 1.00 0.00 O ATOM 173 NE2 GLN A 208 65.011 -2.461 11.244 1.00 0.00 N ATOM 0 H GLN A 208 62.910 1.125 8.213 1.00 0.00 H new ATOM 0 HA GLN A 208 64.999 -0.972 8.465 1.00 0.00 H new ATOM 0 HB2 GLN A 208 62.194 -0.634 9.588 1.00 0.00 H new ATOM 0 HB3 GLN A 208 63.168 -2.081 9.763 1.00 0.00 H new ATOM 0 HG2 GLN A 208 64.118 0.623 10.754 1.00 0.00 H new ATOM 0 HG3 GLN A 208 63.113 -0.427 11.734 1.00 0.00 H new ATOM 0 HE21 GLN A 208 64.205 -2.896 10.794 1.00 0.00 H new ATOM 0 HE22 GLN A 208 65.773 -3.040 11.596 1.00 0.00 H new ATOM 182 N CYS A 209 64.095 -2.331 6.647 1.00 0.00 N ATOM 183 CA CYS A 209 63.763 -3.143 5.454 1.00 0.00 C ATOM 184 C CYS A 209 62.315 -3.584 5.502 1.00 0.00 C ATOM 185 O CYS A 209 61.531 -3.197 4.651 1.00 0.00 O ATOM 186 CB CYS A 209 64.729 -4.359 5.382 1.00 0.00 C ATOM 187 SG CYS A 209 65.165 -5.003 3.717 1.00 0.00 S ATOM 0 H CYS A 209 64.998 -2.587 7.047 1.00 0.00 H new ATOM 0 HA CYS A 209 63.889 -2.544 4.552 1.00 0.00 H new ATOM 0 HB2 CYS A 209 65.654 -4.083 5.888 1.00 0.00 H new ATOM 0 HB3 CYS A 209 64.285 -5.175 5.952 1.00 0.00 H new ATOM 0 HG CYS A 209 65.873 -4.118 3.081 1.00 0.00 H new ATOM 192 N GLY A 210 61.985 -4.454 6.442 1.00 0.00 N ATOM 193 CA GLY A 210 60.612 -4.782 6.710 1.00 0.00 C ATOM 194 C GLY A 210 59.989 -5.681 5.696 1.00 0.00 C ATOM 195 O GLY A 210 58.883 -6.113 5.861 1.00 0.00 O ATOM 0 H GLY A 210 62.660 -4.943 7.030 1.00 0.00 H new ATOM 0 HA2 GLY A 210 60.548 -5.257 7.689 1.00 0.00 H new ATOM 0 HA3 GLY A 210 60.034 -3.860 6.765 1.00 0.00 H new ATOM 199 N VAL A 211 60.725 -6.005 4.671 1.00 0.00 N ATOM 200 CA VAL A 211 60.215 -6.832 3.617 1.00 0.00 C ATOM 201 C VAL A 211 59.953 -8.237 4.073 1.00 0.00 C ATOM 202 O VAL A 211 60.813 -8.875 4.665 1.00 0.00 O ATOM 203 CB VAL A 211 61.193 -6.799 2.489 1.00 0.00 C ATOM 204 CG1 VAL A 211 62.586 -7.062 2.905 1.00 0.00 C ATOM 205 CG2 VAL A 211 60.747 -7.531 1.241 1.00 0.00 C ATOM 0 H VAL A 211 61.691 -5.704 4.543 1.00 0.00 H new ATOM 0 HA VAL A 211 59.251 -6.443 3.290 1.00 0.00 H new ATOM 0 HB VAL A 211 61.203 -5.758 2.165 1.00 0.00 H new ATOM 0 HG11 VAL A 211 63.240 -7.022 2.034 1.00 0.00 H new ATOM 0 HG12 VAL A 211 62.898 -6.308 3.628 1.00 0.00 H new ATOM 0 HG13 VAL A 211 62.649 -8.050 3.361 1.00 0.00 H new ATOM 0 HG21 VAL A 211 61.521 -7.453 0.477 1.00 0.00 H new ATOM 0 HG22 VAL A 211 60.575 -8.581 1.477 1.00 0.00 H new ATOM 0 HG23 VAL A 211 59.824 -7.087 0.869 1.00 0.00 H new ATOM 215 N ILE A 212 58.771 -8.676 3.822 1.00 0.00 N ATOM 216 CA ILE A 212 58.334 -9.961 4.231 1.00 0.00 C ATOM 217 C ILE A 212 58.994 -11.037 3.395 1.00 0.00 C ATOM 218 O ILE A 212 58.823 -11.082 2.178 1.00 0.00 O ATOM 219 CB ILE A 212 56.812 -10.078 4.110 1.00 0.00 C ATOM 220 CG1 ILE A 212 56.128 -8.945 4.879 1.00 0.00 C ATOM 221 CG2 ILE A 212 56.366 -11.418 4.643 1.00 0.00 C ATOM 222 CD1 ILE A 212 54.631 -8.920 4.718 1.00 0.00 C ATOM 0 H ILE A 212 58.067 -8.140 3.316 1.00 0.00 H new ATOM 0 HA ILE A 212 58.617 -10.096 5.275 1.00 0.00 H new ATOM 0 HB ILE A 212 56.529 -9.998 3.060 1.00 0.00 H new ATOM 0 HG12 ILE A 212 56.369 -9.040 5.938 1.00 0.00 H new ATOM 0 HG13 ILE A 212 56.536 -7.992 4.543 1.00 0.00 H new ATOM 0 HG21 ILE A 212 55.283 -11.501 4.557 1.00 0.00 H new ATOM 0 HG22 ILE A 212 56.838 -12.214 4.067 1.00 0.00 H new ATOM 0 HG23 ILE A 212 56.655 -11.507 5.690 1.00 0.00 H new ATOM 0 HD11 ILE A 212 54.217 -8.091 5.291 1.00 0.00 H new ATOM 0 HD12 ILE A 212 54.380 -8.794 3.665 1.00 0.00 H new ATOM 0 HD13 ILE A 212 54.210 -9.858 5.081 1.00 0.00 H new ATOM 313 N LYS A 218 58.411 -13.747 7.821 1.00 0.00 N ATOM 314 CA LYS A 218 58.031 -12.511 8.464 1.00 0.00 C ATOM 315 C LYS A 218 58.765 -11.364 7.787 1.00 0.00 C ATOM 316 O LYS A 218 59.364 -11.567 6.731 1.00 0.00 O ATOM 317 CB LYS A 218 58.360 -12.507 9.946 1.00 0.00 C ATOM 318 CG LYS A 218 59.833 -12.607 10.305 1.00 0.00 C ATOM 319 CD LYS A 218 60.014 -12.261 11.760 1.00 0.00 C ATOM 320 CE LYS A 218 61.442 -12.441 12.228 1.00 0.00 C ATOM 321 NZ LYS A 218 61.578 -12.156 13.674 1.00 0.00 N ATOM 0 HA LYS A 218 56.951 -12.400 8.368 1.00 0.00 H new ATOM 0 HB2 LYS A 218 57.962 -11.591 10.383 1.00 0.00 H new ATOM 0 HB3 LYS A 218 57.835 -13.339 10.416 1.00 0.00 H new ATOM 0 HG2 LYS A 218 60.199 -13.615 10.111 1.00 0.00 H new ATOM 0 HG3 LYS A 218 60.418 -11.930 9.683 1.00 0.00 H new ATOM 0 HD2 LYS A 218 59.709 -11.227 11.924 1.00 0.00 H new ATOM 0 HD3 LYS A 218 59.356 -12.887 12.363 1.00 0.00 H new ATOM 0 HE2 LYS A 218 61.767 -13.461 12.025 1.00 0.00 H new ATOM 0 HE3 LYS A 218 62.098 -11.779 11.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 62.568 -12.289 13.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 61.291 -11.174 13.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 60.970 -12.804 14.214 1.00 0.00 H new ATOM 335 N MET A 219 58.767 -10.201 8.419 1.00 0.00 N ATOM 336 CA MET A 219 59.362 -8.985 7.860 1.00 0.00 C ATOM 337 C MET A 219 60.866 -8.950 8.091 1.00 0.00 C ATOM 338 O MET A 219 61.378 -9.546 9.052 1.00 0.00 O ATOM 339 CB MET A 219 58.731 -7.759 8.506 1.00 0.00 C ATOM 340 CG MET A 219 57.277 -7.621 8.310 1.00 0.00 C ATOM 341 SD MET A 219 56.594 -6.365 9.415 1.00 0.00 S ATOM 342 CE MET A 219 57.527 -4.917 8.916 1.00 0.00 C ATOM 0 H MET A 219 58.354 -10.067 9.342 1.00 0.00 H new ATOM 0 HA MET A 219 59.174 -8.983 6.786 1.00 0.00 H new ATOM 0 HB2 MET A 219 58.935 -7.787 9.576 1.00 0.00 H new ATOM 0 HB3 MET A 219 59.220 -6.869 8.111 1.00 0.00 H new ATOM 0 HG2 MET A 219 57.070 -7.352 7.274 1.00 0.00 H new ATOM 0 HG3 MET A 219 56.789 -8.578 8.494 1.00 0.00 H new ATOM 0 HE1 MET A 219 57.097 -4.029 9.380 1.00 0.00 H new ATOM 0 HE2 MET A 219 58.564 -5.026 9.233 1.00 0.00 H new ATOM 0 HE3 MET A 219 57.487 -4.815 7.832 1.00 0.00 H new ATOM 352 N CYS A 220 61.579 -8.264 7.215 1.00 0.00 N ATOM 353 CA CYS A 220 63.010 -8.148 7.343 1.00 0.00 C ATOM 354 C CYS A 220 63.369 -7.070 8.386 1.00 0.00 C ATOM 355 O CYS A 220 62.652 -6.104 8.525 1.00 0.00 O ATOM 356 CB CYS A 220 63.595 -7.822 6.003 1.00 0.00 C ATOM 357 SG CYS A 220 65.358 -7.740 6.021 1.00 0.00 S ATOM 0 H CYS A 220 61.184 -7.780 6.408 1.00 0.00 H new ATOM 0 HA CYS A 220 63.428 -9.093 7.690 1.00 0.00 H new ATOM 0 HB2 CYS A 220 63.279 -8.576 5.282 1.00 0.00 H new ATOM 0 HB3 CYS A 220 63.196 -6.867 5.661 1.00 0.00 H new ATOM 0 HG CYS A 220 65.836 -8.466 5.054 1.00 0.00 H new ATOM 362 N THR A 221 64.502 -7.191 9.058 1.00 0.00 N ATOM 363 CA THR A 221 64.778 -6.301 10.174 1.00 0.00 C ATOM 364 C THR A 221 66.080 -5.477 10.004 1.00 0.00 C ATOM 365 O THR A 221 66.437 -4.702 10.878 1.00 0.00 O ATOM 366 CB THR A 221 64.764 -7.118 11.485 1.00 0.00 C ATOM 367 OG1 THR A 221 65.076 -6.332 12.648 1.00 0.00 O ATOM 368 CG2 THR A 221 65.697 -8.275 11.354 1.00 0.00 C ATOM 0 H THR A 221 65.229 -7.878 8.858 1.00 0.00 H new ATOM 0 HA THR A 221 63.988 -5.550 10.209 1.00 0.00 H new ATOM 0 HB THR A 221 63.746 -7.477 11.638 1.00 0.00 H new ATOM 0 HG1 THR A 221 65.636 -5.571 12.388 1.00 0.00 H new ATOM 0 HG21 THR A 221 65.690 -8.854 12.277 1.00 0.00 H new ATOM 0 HG22 THR A 221 65.378 -8.908 10.526 1.00 0.00 H new ATOM 0 HG23 THR A 221 66.706 -7.909 11.163 1.00 0.00 H new ATOM 376 N ARG A 222 66.802 -5.665 8.906 1.00 0.00 N ATOM 377 CA ARG A 222 67.929 -4.791 8.604 1.00 0.00 C ATOM 378 C ARG A 222 67.443 -3.501 7.954 1.00 0.00 C ATOM 379 O ARG A 222 66.240 -3.275 7.882 1.00 0.00 O ATOM 380 CB ARG A 222 68.884 -5.491 7.669 1.00 0.00 C ATOM 381 CG ARG A 222 69.735 -6.564 8.326 1.00 0.00 C ATOM 382 CD ARG A 222 69.005 -7.716 8.984 1.00 0.00 C ATOM 383 NE ARG A 222 69.938 -8.471 9.822 1.00 0.00 N ATOM 384 CZ ARG A 222 69.834 -9.743 10.184 1.00 0.00 C ATOM 385 NH1 ARG A 222 68.840 -10.498 9.727 1.00 0.00 N ATOM 386 NH2 ARG A 222 70.750 -10.266 11.000 1.00 0.00 N ATOM 0 H ARG A 222 66.632 -6.401 8.221 1.00 0.00 H new ATOM 0 HA ARG A 222 68.439 -4.550 9.537 1.00 0.00 H new ATOM 0 HB2 ARG A 222 68.313 -5.944 6.858 1.00 0.00 H new ATOM 0 HB3 ARG A 222 69.542 -4.748 7.219 1.00 0.00 H new ATOM 0 HG2 ARG A 222 70.404 -6.975 7.570 1.00 0.00 H new ATOM 0 HG3 ARG A 222 70.361 -6.085 9.079 1.00 0.00 H new ATOM 0 HD2 ARG A 222 68.180 -7.340 9.588 1.00 0.00 H new ATOM 0 HD3 ARG A 222 68.573 -8.368 8.225 1.00 0.00 H new ATOM 0 HE ARG A 222 70.755 -7.965 10.164 1.00 0.00 H new ATOM 0 HH11 ARG A 222 68.148 -10.100 9.092 1.00 0.00 H new ATOM 0 HH12 ARG A 222 68.769 -11.475 10.012 1.00 0.00 H new ATOM 0 HH21 ARG A 222 71.520 -9.689 11.339 1.00 0.00 H new ATOM 0 HH22 ARG A 222 70.681 -11.243 11.285 1.00 0.00 H new ATOM 400 N SER A 223 68.367 -2.681 7.462 1.00 0.00 N ATOM 401 CA SER A 223 68.033 -1.464 6.729 1.00 0.00 C ATOM 402 C SER A 223 67.328 -1.852 5.414 1.00 0.00 C ATOM 403 O SER A 223 67.284 -3.028 5.060 1.00 0.00 O ATOM 404 CB SER A 223 69.319 -0.649 6.443 1.00 0.00 C ATOM 405 OG SER A 223 69.041 0.571 5.766 1.00 0.00 O ATOM 0 H SER A 223 69.369 -2.842 7.560 1.00 0.00 H new ATOM 0 HA SER A 223 67.364 -0.842 7.324 1.00 0.00 H new ATOM 0 HB2 SER A 223 69.827 -0.434 7.383 1.00 0.00 H new ATOM 0 HB3 SER A 223 70.002 -1.249 5.842 1.00 0.00 H new ATOM 0 HG SER A 223 69.878 1.055 5.607 1.00 0.00 H new ATOM 411 N LEU A 224 66.786 -0.892 4.718 1.00 0.00 N ATOM 412 CA LEU A 224 66.034 -1.112 3.471 1.00 0.00 C ATOM 413 C LEU A 224 66.891 -1.857 2.451 1.00 0.00 C ATOM 414 O LEU A 224 66.584 -2.990 2.070 1.00 0.00 O ATOM 415 CB LEU A 224 65.658 0.238 2.900 1.00 0.00 C ATOM 416 CG LEU A 224 64.900 1.170 3.849 1.00 0.00 C ATOM 417 CD1 LEU A 224 64.652 2.475 3.187 1.00 0.00 C ATOM 418 CD2 LEU A 224 63.582 0.563 4.275 1.00 0.00 C ATOM 0 H LEU A 224 66.844 0.090 4.989 1.00 0.00 H new ATOM 0 HA LEU A 224 65.147 -1.708 3.685 1.00 0.00 H new ATOM 0 HB2 LEU A 224 66.569 0.742 2.576 1.00 0.00 H new ATOM 0 HB3 LEU A 224 65.048 0.079 2.011 1.00 0.00 H new ATOM 0 HG LEU A 224 65.515 1.318 4.737 1.00 0.00 H new ATOM 0 HD11 LEU A 224 64.112 3.132 3.869 1.00 0.00 H new ATOM 0 HD12 LEU A 224 65.604 2.933 2.918 1.00 0.00 H new ATOM 0 HD13 LEU A 224 64.058 2.319 2.287 1.00 0.00 H new ATOM 0 HD21 LEU A 224 63.067 1.248 4.948 1.00 0.00 H new ATOM 0 HD22 LEU A 224 62.963 0.384 3.396 1.00 0.00 H new ATOM 0 HD23 LEU A 224 63.765 -0.381 4.788 1.00 0.00 H new ATOM 430 N ARG A 225 68.029 -1.270 2.165 1.00 0.00 N ATOM 431 CA ARG A 225 68.990 -1.707 1.136 1.00 0.00 C ATOM 432 C ARG A 225 69.763 -2.968 1.511 1.00 0.00 C ATOM 433 O ARG A 225 70.728 -3.342 0.852 1.00 0.00 O ATOM 434 CB ARG A 225 69.945 -0.550 0.823 1.00 0.00 C ATOM 435 CG ARG A 225 70.578 0.118 2.036 1.00 0.00 C ATOM 436 CD ARG A 225 71.559 -0.772 2.771 1.00 0.00 C ATOM 437 NE ARG A 225 72.172 -0.104 3.914 1.00 0.00 N ATOM 438 CZ ARG A 225 73.097 -0.644 4.716 1.00 0.00 C ATOM 439 NH1 ARG A 225 73.513 -1.892 4.526 1.00 0.00 N ATOM 440 NH2 ARG A 225 73.576 0.062 5.722 1.00 0.00 N ATOM 0 H ARG A 225 68.341 -0.433 2.658 1.00 0.00 H new ATOM 0 HA ARG A 225 68.417 -1.977 0.249 1.00 0.00 H new ATOM 0 HB2 ARG A 225 70.741 -0.922 0.177 1.00 0.00 H new ATOM 0 HB3 ARG A 225 69.401 0.205 0.256 1.00 0.00 H new ATOM 0 HG2 ARG A 225 71.091 1.024 1.715 1.00 0.00 H new ATOM 0 HG3 ARG A 225 69.791 0.424 2.725 1.00 0.00 H new ATOM 0 HD2 ARG A 225 71.044 -1.670 3.112 1.00 0.00 H new ATOM 0 HD3 ARG A 225 72.339 -1.094 2.081 1.00 0.00 H new ATOM 0 HE ARG A 225 71.872 0.849 4.118 1.00 0.00 H new ATOM 0 HH11 ARG A 225 73.127 -2.448 3.763 1.00 0.00 H new ATOM 0 HH12 ARG A 225 74.219 -2.294 5.143 1.00 0.00 H new ATOM 0 HH21 ARG A 225 73.241 1.012 5.884 1.00 0.00 H new ATOM 0 HH22 ARG A 225 74.281 -0.342 6.338 1.00 0.00 H new ATOM 454 N CYS A 226 69.321 -3.583 2.560 1.00 0.00 N ATOM 455 CA CYS A 226 69.890 -4.741 3.170 1.00 0.00 C ATOM 456 C CYS A 226 70.531 -5.840 2.231 1.00 0.00 C ATOM 457 O CYS A 226 71.745 -6.054 2.289 1.00 0.00 O ATOM 458 CB CYS A 226 68.799 -5.226 4.082 1.00 0.00 C ATOM 459 SG CYS A 226 68.463 -6.932 4.214 1.00 0.00 S ATOM 0 H CYS A 226 68.486 -3.263 3.051 1.00 0.00 H new ATOM 0 HA CYS A 226 70.807 -4.478 3.698 1.00 0.00 H new ATOM 0 HB2 CYS A 226 69.029 -4.863 5.084 1.00 0.00 H new ATOM 0 HB3 CYS A 226 67.876 -4.737 3.770 1.00 0.00 H new ATOM 0 HG CYS A 226 67.342 -7.106 4.848 1.00 0.00 H new ATOM 464 N PRO A 227 69.774 -6.542 1.371 1.00 0.00 N ATOM 465 CA PRO A 227 70.271 -7.698 0.647 1.00 0.00 C ATOM 466 C PRO A 227 70.068 -7.575 -0.898 1.00 0.00 C ATOM 467 O PRO A 227 70.690 -6.740 -1.551 1.00 0.00 O ATOM 468 CB PRO A 227 69.267 -8.684 1.232 1.00 0.00 C ATOM 469 CG PRO A 227 68.018 -7.839 1.347 1.00 0.00 C ATOM 470 CD PRO A 227 68.400 -6.412 1.079 1.00 0.00 C ATOM 0 HA PRO A 227 71.335 -7.912 0.747 1.00 0.00 H new ATOM 0 HB2 PRO A 227 69.117 -9.546 0.582 1.00 0.00 H new ATOM 0 HB3 PRO A 227 69.590 -9.067 2.200 1.00 0.00 H new ATOM 0 HG2 PRO A 227 67.265 -8.173 0.634 1.00 0.00 H new ATOM 0 HG3 PRO A 227 67.581 -7.937 2.341 1.00 0.00 H new ATOM 0 HD2 PRO A 227 68.207 -6.102 0.052 1.00 0.00 H new ATOM 0 HD3 PRO A 227 67.889 -5.701 1.728 1.00 0.00 H new ATOM 478 N GLN A 228 69.153 -8.392 -1.431 1.00 0.00 N ATOM 479 CA GLN A 228 68.800 -8.412 -2.812 1.00 0.00 C ATOM 480 C GLN A 228 67.364 -7.890 -2.870 1.00 0.00 C ATOM 481 O GLN A 228 66.720 -7.848 -3.922 1.00 0.00 O ATOM 482 CB GLN A 228 68.898 -9.853 -3.313 1.00 0.00 C ATOM 483 CG GLN A 228 68.758 -10.038 -4.805 1.00 0.00 C ATOM 484 CD GLN A 228 68.822 -11.495 -5.187 1.00 0.00 C ATOM 485 OE1 GLN A 228 69.903 -12.038 -5.461 1.00 0.00 O ATOM 486 NE2 GLN A 228 67.695 -12.142 -5.204 1.00 0.00 N ATOM 0 H GLN A 228 68.634 -9.071 -0.875 1.00 0.00 H new ATOM 0 HA GLN A 228 69.451 -7.802 -3.438 1.00 0.00 H new ATOM 0 HB2 GLN A 228 69.860 -10.261 -3.003 1.00 0.00 H new ATOM 0 HB3 GLN A 228 68.127 -10.444 -2.818 1.00 0.00 H new ATOM 0 HG2 GLN A 228 67.811 -9.614 -5.138 1.00 0.00 H new ATOM 0 HG3 GLN A 228 69.550 -9.491 -5.317 1.00 0.00 H new ATOM 0 HE21 GLN A 228 66.827 -11.660 -4.972 1.00 0.00 H new ATOM 0 HE22 GLN A 228 67.679 -13.132 -5.449 1.00 0.00 H new ATOM 495 N HIS A 229 66.864 -7.530 -1.670 1.00 0.00 N ATOM 496 CA HIS A 229 65.603 -6.891 -1.512 1.00 0.00 C ATOM 497 C HIS A 229 65.701 -5.547 -2.235 1.00 0.00 C ATOM 498 O HIS A 229 66.617 -4.776 -1.974 1.00 0.00 O ATOM 499 CB HIS A 229 65.175 -6.700 0.014 1.00 0.00 C ATOM 500 CG HIS A 229 64.896 -8.023 0.867 1.00 0.00 C ATOM 501 ND1 HIS A 229 65.272 -8.304 2.301 1.00 0.00 N ATOM 502 CD2 HIS A 229 64.091 -9.038 0.480 1.00 0.00 C ATOM 503 CE1 HIS A 229 64.614 -9.399 2.574 1.00 0.00 C ATOM 504 NE2 HIS A 229 63.924 -9.886 1.534 1.00 0.00 N ATOM 0 H HIS A 229 67.355 -7.690 -0.790 1.00 0.00 H new ATOM 0 HA HIS A 229 64.821 -7.520 -1.938 1.00 0.00 H new ATOM 0 HB2 HIS A 229 65.959 -6.134 0.516 1.00 0.00 H new ATOM 0 HB3 HIS A 229 64.274 -6.087 0.038 1.00 0.00 H new ATOM 0 HD2 HIS A 229 63.654 -9.157 -0.500 1.00 0.00 H new ATOM 0 HE1 HIS A 229 64.625 -9.868 3.547 1.00 0.00 H new ATOM 0 HE2 HIS A 229 63.370 -10.742 1.531 1.00 0.00 H new ATOM 512 N THR A 230 64.798 -5.306 -3.141 1.00 0.00 N ATOM 513 CA THR A 230 64.851 -4.154 -4.023 1.00 0.00 C ATOM 514 C THR A 230 64.047 -2.968 -3.484 1.00 0.00 C ATOM 515 O THR A 230 63.343 -3.080 -2.469 1.00 0.00 O ATOM 516 CB THR A 230 64.274 -4.547 -5.399 1.00 0.00 C ATOM 517 OG1 THR A 230 62.903 -4.936 -5.243 1.00 0.00 O ATOM 518 CG2 THR A 230 65.039 -5.712 -5.986 1.00 0.00 C ATOM 0 H THR A 230 63.989 -5.907 -3.298 1.00 0.00 H new ATOM 0 HA THR A 230 65.895 -3.849 -4.099 1.00 0.00 H new ATOM 0 HB THR A 230 64.357 -3.689 -6.066 1.00 0.00 H new ATOM 0 HG1 THR A 230 62.512 -5.115 -6.123 1.00 0.00 H new ATOM 0 HG21 THR A 230 64.616 -5.973 -6.956 1.00 0.00 H new ATOM 0 HG22 THR A 230 66.086 -5.435 -6.109 1.00 0.00 H new ATOM 0 HG23 THR A 230 64.967 -6.569 -5.316 1.00 0.00 H new ATOM 526 N ASP A 231 64.121 -1.848 -4.199 1.00 0.00 N ATOM 527 CA ASP A 231 63.356 -0.631 -3.864 1.00 0.00 C ATOM 528 C ASP A 231 61.867 -0.891 -4.064 1.00 0.00 C ATOM 529 O ASP A 231 61.018 -0.351 -3.349 1.00 0.00 O ATOM 530 CB ASP A 231 63.784 0.568 -4.744 1.00 0.00 C ATOM 531 CG ASP A 231 63.407 0.426 -6.213 1.00 0.00 C ATOM 532 OD1 ASP A 231 64.157 -0.227 -6.977 1.00 0.00 O ATOM 533 OD2 ASP A 231 62.358 0.953 -6.627 1.00 0.00 O ATOM 0 H ASP A 231 64.709 -1.750 -5.027 1.00 0.00 H new ATOM 0 HA ASP A 231 63.560 -0.383 -2.822 1.00 0.00 H new ATOM 0 HB2 ASP A 231 63.328 1.476 -4.349 1.00 0.00 H new ATOM 0 HB3 ASP A 231 64.864 0.694 -4.667 1.00 0.00 H new ATOM 538 N GLU A 232 61.569 -1.810 -4.987 1.00 0.00 N ATOM 539 CA GLU A 232 60.205 -2.187 -5.345 1.00 0.00 C ATOM 540 C GLU A 232 59.579 -2.794 -4.125 1.00 0.00 C ATOM 541 O GLU A 232 58.417 -2.588 -3.807 1.00 0.00 O ATOM 542 CB GLU A 232 60.252 -3.273 -6.412 1.00 0.00 C ATOM 543 CG GLU A 232 61.179 -2.986 -7.568 1.00 0.00 C ATOM 544 CD GLU A 232 61.255 -4.138 -8.519 1.00 0.00 C ATOM 545 OE1 GLU A 232 61.657 -5.244 -8.098 1.00 0.00 O ATOM 546 OE2 GLU A 232 60.865 -3.987 -9.696 1.00 0.00 O ATOM 0 H GLU A 232 62.281 -2.318 -5.512 1.00 0.00 H new ATOM 0 HA GLU A 232 59.652 -1.320 -5.706 1.00 0.00 H new ATOM 0 HB2 GLU A 232 60.557 -4.209 -5.944 1.00 0.00 H new ATOM 0 HB3 GLU A 232 59.245 -3.424 -6.801 1.00 0.00 H new ATOM 0 HG2 GLU A 232 60.834 -2.099 -8.099 1.00 0.00 H new ATOM 0 HG3 GLU A 232 62.176 -2.762 -7.188 1.00 0.00 H new ATOM 553 N GLN A 233 60.411 -3.506 -3.435 1.00 0.00 N ATOM 554 CA GLN A 233 60.083 -4.227 -2.263 1.00 0.00 C ATOM 555 C GLN A 233 59.846 -3.342 -1.073 1.00 0.00 C ATOM 556 O GLN A 233 59.018 -3.650 -0.210 1.00 0.00 O ATOM 557 CB GLN A 233 61.171 -5.198 -1.991 1.00 0.00 C ATOM 558 CG GLN A 233 61.163 -6.332 -2.919 1.00 0.00 C ATOM 559 CD GLN A 233 62.220 -7.255 -2.575 1.00 0.00 C ATOM 560 OE1 GLN A 233 62.549 -7.402 -1.422 1.00 0.00 O ATOM 561 NE2 GLN A 233 62.827 -7.811 -3.537 1.00 0.00 N ATOM 0 H GLN A 233 61.393 -3.600 -3.696 1.00 0.00 H new ATOM 0 HA GLN A 233 59.140 -4.746 -2.435 1.00 0.00 H new ATOM 0 HB2 GLN A 233 62.132 -4.688 -2.056 1.00 0.00 H new ATOM 0 HB3 GLN A 233 61.075 -5.568 -0.970 1.00 0.00 H new ATOM 0 HG2 GLN A 233 60.199 -6.839 -2.880 1.00 0.00 H new ATOM 0 HG3 GLN A 233 61.296 -5.978 -3.941 1.00 0.00 H new ATOM 0 HE21 GLN A 233 62.513 -7.657 -4.495 1.00 0.00 H new ATOM 0 HE22 GLN A 233 63.630 -8.412 -3.354 1.00 0.00 H new ATOM 570 N ARG A 234 60.566 -2.262 -1.016 1.00 0.00 N ATOM 571 CA ARG A 234 60.441 -1.302 0.069 1.00 0.00 C ATOM 572 C ARG A 234 59.123 -0.597 -0.039 1.00 0.00 C ATOM 573 O ARG A 234 58.491 -0.257 0.946 1.00 0.00 O ATOM 574 CB ARG A 234 61.611 -0.339 0.028 1.00 0.00 C ATOM 575 CG ARG A 234 62.925 -1.062 0.175 1.00 0.00 C ATOM 576 CD ARG A 234 63.049 -1.634 1.526 1.00 0.00 C ATOM 577 NE ARG A 234 63.403 -2.968 1.332 1.00 0.00 N ATOM 578 CZ ARG A 234 62.523 -3.887 1.257 1.00 0.00 C ATOM 579 NH1 ARG A 234 61.370 -3.789 1.937 1.00 0.00 N ATOM 580 NH2 ARG A 234 62.787 -4.914 0.529 1.00 0.00 N ATOM 0 H ARG A 234 61.263 -2.010 -1.717 1.00 0.00 H new ATOM 0 HA ARG A 234 60.466 -1.810 1.033 1.00 0.00 H new ATOM 0 HB2 ARG A 234 61.599 0.210 -0.914 1.00 0.00 H new ATOM 0 HB3 ARG A 234 61.507 0.396 0.826 1.00 0.00 H new ATOM 0 HG2 ARG A 234 62.996 -1.854 -0.570 1.00 0.00 H new ATOM 0 HG3 ARG A 234 63.749 -0.373 -0.012 1.00 0.00 H new ATOM 0 HD2 ARG A 234 63.806 -1.107 2.108 1.00 0.00 H new ATOM 0 HD3 ARG A 234 62.111 -1.552 2.075 1.00 0.00 H new ATOM 0 HE ARG A 234 64.389 -3.215 1.248 1.00 0.00 H new ATOM 0 HH11 ARG A 234 61.191 -2.973 2.522 1.00 0.00 H new ATOM 0 HH12 ARG A 234 60.673 -4.531 1.869 1.00 0.00 H new ATOM 0 HH21 ARG A 234 63.677 -4.974 0.035 1.00 0.00 H new ATOM 0 HH22 ARG A 234 62.106 -5.669 0.446 1.00 0.00 H new ATOM 594 N ARG A 235 58.695 -0.467 -1.246 1.00 0.00 N ATOM 595 CA ARG A 235 57.439 0.105 -1.572 1.00 0.00 C ATOM 596 C ARG A 235 56.341 -0.912 -1.281 1.00 0.00 C ATOM 597 O ARG A 235 55.390 -0.625 -0.563 1.00 0.00 O ATOM 598 CB ARG A 235 57.495 0.499 -3.035 1.00 0.00 C ATOM 599 CG ARG A 235 56.179 0.780 -3.694 1.00 0.00 C ATOM 600 CD ARG A 235 56.407 1.406 -5.046 1.00 0.00 C ATOM 601 NE ARG A 235 57.321 0.629 -5.911 1.00 0.00 N ATOM 602 CZ ARG A 235 56.961 -0.232 -6.869 1.00 0.00 C ATOM 603 NH1 ARG A 235 55.711 -0.654 -6.959 1.00 0.00 N ATOM 604 NH2 ARG A 235 57.873 -0.683 -7.724 1.00 0.00 N ATOM 0 H ARG A 235 59.230 -0.767 -2.061 1.00 0.00 H new ATOM 0 HA ARG A 235 57.218 0.991 -0.977 1.00 0.00 H new ATOM 0 HB2 ARG A 235 58.121 1.386 -3.127 1.00 0.00 H new ATOM 0 HB3 ARG A 235 57.991 -0.300 -3.586 1.00 0.00 H new ATOM 0 HG2 ARG A 235 55.612 -0.144 -3.802 1.00 0.00 H new ATOM 0 HG3 ARG A 235 55.585 1.447 -3.070 1.00 0.00 H new ATOM 0 HD2 ARG A 235 55.448 1.517 -5.552 1.00 0.00 H new ATOM 0 HD3 ARG A 235 56.814 2.408 -4.909 1.00 0.00 H new ATOM 0 HE ARG A 235 58.321 0.763 -5.763 1.00 0.00 H new ATOM 0 HH11 ARG A 235 55.012 -0.323 -6.294 1.00 0.00 H new ATOM 0 HH12 ARG A 235 55.446 -1.311 -7.693 1.00 0.00 H new ATOM 0 HH21 ARG A 235 58.842 -0.372 -7.647 1.00 0.00 H new ATOM 0 HH22 ARG A 235 57.604 -1.340 -8.457 1.00 0.00 H new ATOM 618 N THR A 236 56.590 -2.120 -1.734 1.00 0.00 N ATOM 619 CA THR A 236 55.710 -3.271 -1.649 1.00 0.00 C ATOM 620 C THR A 236 55.163 -3.487 -0.246 1.00 0.00 C ATOM 621 O THR A 236 53.961 -3.587 -0.040 1.00 0.00 O ATOM 622 CB THR A 236 56.558 -4.496 -2.094 1.00 0.00 C ATOM 623 OG1 THR A 236 56.649 -4.606 -3.514 1.00 0.00 O ATOM 624 CG2 THR A 236 56.215 -5.818 -1.424 1.00 0.00 C ATOM 0 H THR A 236 57.468 -2.342 -2.202 1.00 0.00 H new ATOM 0 HA THR A 236 54.838 -3.120 -2.285 1.00 0.00 H new ATOM 0 HB THR A 236 57.555 -4.273 -1.715 1.00 0.00 H new ATOM 0 HG1 THR A 236 57.233 -3.900 -3.860 1.00 0.00 H new ATOM 0 HG21 THR A 236 56.868 -6.601 -1.809 1.00 0.00 H new ATOM 0 HG22 THR A 236 56.354 -5.727 -0.347 1.00 0.00 H new ATOM 0 HG23 THR A 236 55.177 -6.074 -1.635 1.00 0.00 H new ATOM 632 N VAL A 237 56.041 -3.485 0.694 1.00 0.00 N ATOM 633 CA VAL A 237 55.713 -3.825 2.028 1.00 0.00 C ATOM 634 C VAL A 237 54.925 -2.709 2.747 1.00 0.00 C ATOM 635 O VAL A 237 54.071 -2.982 3.580 1.00 0.00 O ATOM 636 CB VAL A 237 56.993 -4.245 2.769 1.00 0.00 C ATOM 637 CG1 VAL A 237 58.002 -3.125 2.839 1.00 0.00 C ATOM 638 CG2 VAL A 237 56.703 -4.822 4.119 1.00 0.00 C ATOM 0 H VAL A 237 57.022 -3.243 0.553 1.00 0.00 H new ATOM 0 HA VAL A 237 55.031 -4.675 2.022 1.00 0.00 H new ATOM 0 HB VAL A 237 57.446 -5.042 2.179 1.00 0.00 H new ATOM 0 HG11 VAL A 237 58.890 -3.468 3.371 1.00 0.00 H new ATOM 0 HG12 VAL A 237 58.279 -2.821 1.830 1.00 0.00 H new ATOM 0 HG13 VAL A 237 57.567 -2.276 3.367 1.00 0.00 H new ATOM 0 HG21 VAL A 237 57.638 -5.103 4.603 1.00 0.00 H new ATOM 0 HG22 VAL A 237 56.188 -4.080 4.729 1.00 0.00 H new ATOM 0 HG23 VAL A 237 56.071 -5.704 4.010 1.00 0.00 H new ATOM 648 N ARG A 238 55.160 -1.471 2.356 1.00 0.00 N ATOM 649 CA ARG A 238 54.501 -0.332 2.992 1.00 0.00 C ATOM 650 C ARG A 238 53.106 -0.268 2.470 1.00 0.00 C ATOM 651 O ARG A 238 52.157 -0.028 3.194 1.00 0.00 O ATOM 652 CB ARG A 238 55.230 0.957 2.663 1.00 0.00 C ATOM 653 CG ARG A 238 56.576 1.131 3.329 1.00 0.00 C ATOM 654 CD ARG A 238 57.373 2.159 2.577 1.00 0.00 C ATOM 655 NE ARG A 238 58.653 2.545 3.191 1.00 0.00 N ATOM 656 CZ ARG A 238 59.605 3.265 2.560 1.00 0.00 C ATOM 657 NH1 ARG A 238 59.422 3.653 1.305 1.00 0.00 N ATOM 658 NH2 ARG A 238 60.728 3.584 3.190 1.00 0.00 N ATOM 0 H ARG A 238 55.801 -1.222 1.602 1.00 0.00 H new ATOM 0 HA ARG A 238 54.506 -0.454 4.075 1.00 0.00 H new ATOM 0 HB2 ARG A 238 55.369 1.010 1.583 1.00 0.00 H new ATOM 0 HB3 ARG A 238 54.594 1.796 2.944 1.00 0.00 H new ATOM 0 HG2 ARG A 238 56.444 1.443 4.365 1.00 0.00 H new ATOM 0 HG3 ARG A 238 57.111 0.181 3.347 1.00 0.00 H new ATOM 0 HD2 ARG A 238 57.571 1.777 1.575 1.00 0.00 H new ATOM 0 HD3 ARG A 238 56.761 3.054 2.462 1.00 0.00 H new ATOM 0 HE ARG A 238 58.832 2.251 4.151 1.00 0.00 H new ATOM 0 HH11 ARG A 238 58.561 3.407 0.816 1.00 0.00 H new ATOM 0 HH12 ARG A 238 60.142 4.197 0.829 1.00 0.00 H new ATOM 0 HH21 ARG A 238 60.874 3.285 4.154 1.00 0.00 H new ATOM 0 HH22 ARG A 238 61.445 4.128 2.710 1.00 0.00 H new ATOM 672 N VAL A 239 53.015 -0.521 1.200 1.00 0.00 N ATOM 673 CA VAL A 239 51.821 -0.550 0.475 1.00 0.00 C ATOM 674 C VAL A 239 50.923 -1.695 0.981 1.00 0.00 C ATOM 675 O VAL A 239 49.710 -1.525 1.155 1.00 0.00 O ATOM 676 CB VAL A 239 52.216 -0.702 -1.000 1.00 0.00 C ATOM 677 CG1 VAL A 239 51.118 -1.203 -1.815 1.00 0.00 C ATOM 678 CG2 VAL A 239 52.722 0.617 -1.548 1.00 0.00 C ATOM 0 H VAL A 239 53.833 -0.722 0.625 1.00 0.00 H new ATOM 0 HA VAL A 239 51.235 0.360 0.601 1.00 0.00 H new ATOM 0 HB VAL A 239 53.016 -1.441 -1.047 1.00 0.00 H new ATOM 0 HG11 VAL A 239 51.446 -1.294 -2.851 1.00 0.00 H new ATOM 0 HG12 VAL A 239 50.807 -2.180 -1.446 1.00 0.00 H new ATOM 0 HG13 VAL A 239 50.278 -0.510 -1.760 1.00 0.00 H new ATOM 0 HG21 VAL A 239 52.998 0.494 -2.595 1.00 0.00 H new ATOM 0 HG22 VAL A 239 51.938 1.370 -1.466 1.00 0.00 H new ATOM 0 HG23 VAL A 239 53.594 0.937 -0.978 1.00 0.00 H new ATOM 688 N TYR A 240 51.540 -2.826 1.233 1.00 0.00 N ATOM 689 CA TYR A 240 50.882 -3.986 1.796 1.00 0.00 C ATOM 690 C TYR A 240 50.379 -3.701 3.222 1.00 0.00 C ATOM 691 O TYR A 240 49.216 -3.944 3.537 1.00 0.00 O ATOM 692 CB TYR A 240 51.879 -5.177 1.786 1.00 0.00 C ATOM 693 CG TYR A 240 51.459 -6.420 2.555 1.00 0.00 C ATOM 694 CD1 TYR A 240 51.758 -6.537 3.900 1.00 0.00 C ATOM 695 CD2 TYR A 240 50.790 -7.471 1.941 1.00 0.00 C ATOM 696 CE1 TYR A 240 51.409 -7.643 4.619 1.00 0.00 C ATOM 697 CE2 TYR A 240 50.430 -8.599 2.663 1.00 0.00 C ATOM 698 CZ TYR A 240 50.748 -8.677 4.008 1.00 0.00 C ATOM 699 OH TYR A 240 50.402 -9.798 4.747 1.00 0.00 O ATOM 0 H TYR A 240 52.533 -2.970 1.049 1.00 0.00 H new ATOM 0 HA TYR A 240 50.009 -4.235 1.193 1.00 0.00 H new ATOM 0 HB2 TYR A 240 52.060 -5.462 0.750 1.00 0.00 H new ATOM 0 HB3 TYR A 240 52.829 -4.830 2.192 1.00 0.00 H new ATOM 0 HD1 TYR A 240 52.281 -5.732 4.394 1.00 0.00 H new ATOM 0 HD2 TYR A 240 50.548 -7.409 0.890 1.00 0.00 H new ATOM 0 HE1 TYR A 240 51.653 -7.704 5.669 1.00 0.00 H new ATOM 0 HE2 TYR A 240 49.906 -9.410 2.180 1.00 0.00 H new ATOM 0 HH TYR A 240 49.938 -10.440 4.170 1.00 0.00 H new ATOM 709 N PHE A 241 51.260 -3.198 4.070 1.00 0.00 N ATOM 710 CA PHE A 241 50.934 -2.970 5.463 1.00 0.00 C ATOM 711 C PHE A 241 50.125 -1.711 5.755 1.00 0.00 C ATOM 712 O PHE A 241 49.060 -1.794 6.359 1.00 0.00 O ATOM 713 CB PHE A 241 52.204 -2.909 6.290 1.00 0.00 C ATOM 714 CG PHE A 241 52.807 -4.220 6.681 1.00 0.00 C ATOM 715 CD1 PHE A 241 52.062 -5.183 7.347 1.00 0.00 C ATOM 716 CD2 PHE A 241 54.133 -4.469 6.430 1.00 0.00 C ATOM 717 CE1 PHE A 241 52.646 -6.371 7.752 1.00 0.00 C ATOM 718 CE2 PHE A 241 54.719 -5.656 6.825 1.00 0.00 C ATOM 719 CZ PHE A 241 53.976 -6.603 7.486 1.00 0.00 C ATOM 0 H PHE A 241 52.213 -2.939 3.813 1.00 0.00 H new ATOM 0 HA PHE A 241 50.300 -3.815 5.731 1.00 0.00 H new ATOM 0 HB2 PHE A 241 52.949 -2.344 5.730 1.00 0.00 H new ATOM 0 HB3 PHE A 241 51.993 -2.346 7.199 1.00 0.00 H new ATOM 0 HD1 PHE A 241 51.017 -5.004 7.551 1.00 0.00 H new ATOM 0 HD2 PHE A 241 54.726 -3.727 5.917 1.00 0.00 H new ATOM 0 HE1 PHE A 241 52.060 -7.113 8.275 1.00 0.00 H new ATOM 0 HE2 PHE A 241 55.762 -5.839 6.614 1.00 0.00 H new ATOM 0 HZ PHE A 241 54.435 -7.530 7.797 1.00 0.00 H new ATOM 729 N LEU A 242 50.584 -0.574 5.307 1.00 0.00 N ATOM 730 CA LEU A 242 49.983 0.673 5.745 1.00 0.00 C ATOM 731 C LEU A 242 49.242 1.442 4.665 1.00 0.00 C ATOM 732 O LEU A 242 48.633 2.487 4.954 1.00 0.00 O ATOM 733 CB LEU A 242 50.985 1.575 6.506 1.00 0.00 C ATOM 734 CG LEU A 242 52.359 1.819 5.865 1.00 0.00 C ATOM 735 CD1 LEU A 242 52.757 3.262 6.063 1.00 0.00 C ATOM 736 CD2 LEU A 242 53.422 0.916 6.510 1.00 0.00 C ATOM 0 H LEU A 242 51.358 -0.476 4.650 1.00 0.00 H new ATOM 0 HA LEU A 242 49.210 0.363 6.448 1.00 0.00 H new ATOM 0 HB2 LEU A 242 50.511 2.544 6.662 1.00 0.00 H new ATOM 0 HB3 LEU A 242 51.148 1.138 7.491 1.00 0.00 H new ATOM 0 HG LEU A 242 52.292 1.589 4.802 1.00 0.00 H new ATOM 0 HD11 LEU A 242 53.732 3.436 5.608 1.00 0.00 H new ATOM 0 HD12 LEU A 242 52.017 3.911 5.595 1.00 0.00 H new ATOM 0 HD13 LEU A 242 52.809 3.482 7.129 1.00 0.00 H new ATOM 0 HD21 LEU A 242 54.389 1.102 6.043 1.00 0.00 H new ATOM 0 HD22 LEU A 242 53.485 1.133 7.576 1.00 0.00 H new ATOM 0 HD23 LEU A 242 53.146 -0.129 6.368 1.00 0.00 H new ATOM 748 N GLY A 243 49.289 0.977 3.445 1.00 0.00 N ATOM 749 CA GLY A 243 48.508 1.616 2.421 1.00 0.00 C ATOM 750 C GLY A 243 49.311 2.047 1.215 1.00 0.00 C ATOM 751 O GLY A 243 50.504 2.333 1.321 1.00 0.00 O ATOM 0 H GLY A 243 49.845 0.178 3.141 1.00 0.00 H new ATOM 0 HA2 GLY A 243 47.723 0.932 2.097 1.00 0.00 H new ATOM 0 HA3 GLY A 243 48.014 2.489 2.847 1.00 0.00 H new