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 45:sc= -1.98 USER MOD Set 1.2: A 220 CYS SG : rot 130:sc= 0.306 USER MOD Set 1.3: A 226 CYS SG : rot -165:sc= -5.32! USER MOD Set 1.4: A 229 HIS : no HD1:sc= -10.9! C(o=-24!,f=-20!) USER MOD Set 1.5: A 230 THR OG1 : rot 180:sc= -0.0894 USER MOD Set 1.6: A 233 GLN : amide:sc= -6.19! K(o=-24!,f=-20) USER MOD Single : A 203 SER OG : rot 70:sc= 0.301 USER MOD Single : A 206 THR OG1 : rot 72:sc= 0.298 USER MOD Single : A 207 THR OG1 : rot 180:sc= 0 USER MOD Single : A 208 GLN : amide:sc= -1.04 K(o=-1,f=-0.028) USER MOD Single : A 218 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 219 MET CE :methyl 165:sc= 0 (180deg=-0.252) USER MOD Single : A 221 THR OG1 : rot 180:sc= 0.0619 USER MOD Single : A 223 SER OG : rot 180:sc= 0 USER MOD Single : A 228 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 236 THR OG1 : rot 180:sc= 0 USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 198 50.661 -0.775 13.932 1.00 0.00 N ATOM 2 CA PRO A 198 50.934 -0.375 12.547 1.00 0.00 C ATOM 3 C PRO A 198 51.672 0.966 12.463 1.00 0.00 C ATOM 4 O PRO A 198 52.273 1.299 11.441 1.00 0.00 O ATOM 5 CB PRO A 198 49.537 -0.255 11.920 1.00 0.00 C ATOM 6 CG PRO A 198 48.616 -0.062 13.074 1.00 0.00 C ATOM 7 CD PRO A 198 49.210 -0.850 14.203 1.00 0.00 C ATOM 0 HA PRO A 198 51.581 -1.091 12.041 1.00 0.00 H new ATOM 0 HB2 PRO A 198 49.485 0.586 11.228 1.00 0.00 H new ATOM 0 HB3 PRO A 198 49.279 -1.150 11.354 1.00 0.00 H new ATOM 0 HG2 PRO A 198 48.531 0.993 13.335 1.00 0.00 H new ATOM 0 HG3 PRO A 198 47.612 -0.414 12.837 1.00 0.00 H new ATOM 0 HD2 PRO A 198 48.958 -0.420 15.172 1.00 0.00 H new ATOM 0 HD3 PRO A 198 48.853 -1.880 14.208 1.00 0.00 H new ATOM 15 N GLU A 199 51.644 1.711 13.542 1.00 0.00 N ATOM 16 CA GLU A 199 52.258 3.016 13.598 1.00 0.00 C ATOM 17 C GLU A 199 53.765 2.931 13.692 1.00 0.00 C ATOM 18 O GLU A 199 54.466 3.500 12.861 1.00 0.00 O ATOM 19 CB GLU A 199 51.673 3.826 14.727 1.00 0.00 C ATOM 20 CG GLU A 199 50.225 4.188 14.495 1.00 0.00 C ATOM 21 CD GLU A 199 50.053 5.064 13.278 1.00 0.00 C ATOM 22 OE1 GLU A 199 50.193 6.297 13.399 1.00 0.00 O ATOM 23 OE2 GLU A 199 49.771 4.540 12.180 1.00 0.00 O ATOM 0 H GLU A 199 51.192 1.427 14.411 1.00 0.00 H new ATOM 0 HA GLU A 199 52.036 3.529 12.662 1.00 0.00 H new ATOM 0 HB2 GLU A 199 51.758 3.262 15.656 1.00 0.00 H new ATOM 0 HB3 GLU A 199 52.256 4.738 14.854 1.00 0.00 H new ATOM 0 HG2 GLU A 199 49.638 3.278 14.373 1.00 0.00 H new ATOM 0 HG3 GLU A 199 49.835 4.704 15.372 1.00 0.00 H new ATOM 30 N GLU A 200 54.279 2.208 14.666 1.00 0.00 N ATOM 31 CA GLU A 200 55.671 2.040 14.793 1.00 0.00 C ATOM 32 C GLU A 200 56.205 1.142 13.723 1.00 0.00 C ATOM 33 O GLU A 200 57.369 1.210 13.379 1.00 0.00 O ATOM 34 CB GLU A 200 56.022 1.534 16.140 1.00 0.00 C ATOM 35 CG GLU A 200 55.289 0.294 16.606 1.00 0.00 C ATOM 36 CD GLU A 200 54.067 0.616 17.414 1.00 0.00 C ATOM 37 OE1 GLU A 200 53.085 1.124 16.852 1.00 0.00 O ATOM 38 OE2 GLU A 200 54.075 0.348 18.637 1.00 0.00 O ATOM 0 H GLU A 200 53.727 1.731 15.378 1.00 0.00 H new ATOM 0 HA GLU A 200 56.139 3.016 14.670 1.00 0.00 H new ATOM 0 HB2 GLU A 200 57.092 1.326 16.158 1.00 0.00 H new ATOM 0 HB3 GLU A 200 55.840 2.330 16.862 1.00 0.00 H new ATOM 0 HG2 GLU A 200 55.001 -0.300 15.739 1.00 0.00 H new ATOM 0 HG3 GLU A 200 55.964 -0.320 17.203 1.00 0.00 H new ATOM 45 N LEU A 201 55.355 0.296 13.222 1.00 0.00 N ATOM 46 CA LEU A 201 55.667 -0.504 12.066 1.00 0.00 C ATOM 47 C LEU A 201 55.961 0.399 10.861 1.00 0.00 C ATOM 48 O LEU A 201 56.911 0.192 10.120 1.00 0.00 O ATOM 49 CB LEU A 201 54.520 -1.472 11.778 1.00 0.00 C ATOM 50 CG LEU A 201 54.449 -1.984 10.363 1.00 0.00 C ATOM 51 CD1 LEU A 201 53.963 -3.395 10.340 1.00 0.00 C ATOM 52 CD2 LEU A 201 53.505 -1.133 9.548 1.00 0.00 C ATOM 0 H LEU A 201 54.422 0.138 13.602 1.00 0.00 H new ATOM 0 HA LEU A 201 56.562 -1.094 12.264 1.00 0.00 H new ATOM 0 HB2 LEU A 201 54.608 -2.325 12.451 1.00 0.00 H new ATOM 0 HB3 LEU A 201 53.579 -0.975 12.015 1.00 0.00 H new ATOM 0 HG LEU A 201 55.451 -1.938 9.937 1.00 0.00 H new ATOM 0 HD11 LEU A 201 53.918 -3.748 9.310 1.00 0.00 H new ATOM 0 HD12 LEU A 201 54.647 -4.025 10.910 1.00 0.00 H new ATOM 0 HD13 LEU A 201 52.969 -3.445 10.784 1.00 0.00 H new ATOM 0 HD21 LEU A 201 53.462 -1.513 8.527 1.00 0.00 H new ATOM 0 HD22 LEU A 201 52.509 -1.168 9.990 1.00 0.00 H new ATOM 0 HD23 LEU A 201 53.861 -0.103 9.537 1.00 0.00 H new ATOM 64 N ARG A 202 55.116 1.375 10.677 1.00 0.00 N ATOM 65 CA ARG A 202 55.263 2.369 9.668 1.00 0.00 C ATOM 66 C ARG A 202 56.556 3.130 9.879 1.00 0.00 C ATOM 67 O ARG A 202 57.302 3.396 8.916 1.00 0.00 O ATOM 68 CB ARG A 202 54.059 3.287 9.716 1.00 0.00 C ATOM 69 CG ARG A 202 54.195 4.517 8.894 1.00 0.00 C ATOM 70 CD ARG A 202 52.896 5.295 8.861 1.00 0.00 C ATOM 71 NE ARG A 202 52.957 6.457 7.961 1.00 0.00 N ATOM 72 CZ ARG A 202 51.886 6.998 7.345 1.00 0.00 C ATOM 73 NH1 ARG A 202 50.664 6.560 7.629 1.00 0.00 N ATOM 74 NH2 ARG A 202 52.040 7.993 6.476 1.00 0.00 N ATOM 0 H ARG A 202 54.280 1.498 11.248 1.00 0.00 H new ATOM 0 HA ARG A 202 55.313 1.909 8.681 1.00 0.00 H new ATOM 0 HB2 ARG A 202 53.182 2.734 9.380 1.00 0.00 H new ATOM 0 HB3 ARG A 202 53.877 3.574 10.752 1.00 0.00 H new ATOM 0 HG2 ARG A 202 54.988 5.144 9.300 1.00 0.00 H new ATOM 0 HG3 ARG A 202 54.489 4.250 7.879 1.00 0.00 H new ATOM 0 HD2 ARG A 202 52.089 4.635 8.542 1.00 0.00 H new ATOM 0 HD3 ARG A 202 52.653 5.632 9.869 1.00 0.00 H new ATOM 0 HE ARG A 202 53.869 6.881 7.792 1.00 0.00 H new ATOM 0 HH11 ARG A 202 50.536 5.814 8.313 1.00 0.00 H new ATOM 0 HH12 ARG A 202 49.854 6.969 7.163 1.00 0.00 H new ATOM 0 HH21 ARG A 202 52.973 8.352 6.272 1.00 0.00 H new ATOM 0 HH22 ARG A 202 51.225 8.397 6.014 1.00 0.00 H new ATOM 88 N SER A 203 56.841 3.443 11.130 1.00 0.00 N ATOM 89 CA SER A 203 58.078 4.100 11.472 1.00 0.00 C ATOM 90 C SER A 203 59.271 3.162 11.177 1.00 0.00 C ATOM 91 O SER A 203 60.347 3.617 10.774 1.00 0.00 O ATOM 92 CB SER A 203 58.051 4.538 12.938 1.00 0.00 C ATOM 93 OG SER A 203 56.901 5.352 13.198 1.00 0.00 O ATOM 0 H SER A 203 56.229 3.250 11.923 1.00 0.00 H new ATOM 0 HA SER A 203 58.198 4.995 10.861 1.00 0.00 H new ATOM 0 HB2 SER A 203 58.037 3.661 13.585 1.00 0.00 H new ATOM 0 HB3 SER A 203 58.958 5.094 13.174 1.00 0.00 H new ATOM 0 HG SER A 203 56.092 4.801 13.150 1.00 0.00 H new ATOM 99 N LEU A 204 59.052 1.852 11.353 1.00 0.00 N ATOM 100 CA LEU A 204 60.043 0.834 11.067 1.00 0.00 C ATOM 101 C LEU A 204 60.425 0.890 9.611 1.00 0.00 C ATOM 102 O LEU A 204 61.584 1.064 9.292 1.00 0.00 O ATOM 103 CB LEU A 204 59.514 -0.576 11.436 1.00 0.00 C ATOM 104 CG LEU A 204 60.526 -1.732 11.295 1.00 0.00 C ATOM 105 CD1 LEU A 204 60.291 -2.788 12.326 1.00 0.00 C ATOM 106 CD2 LEU A 204 60.438 -2.375 9.914 1.00 0.00 C ATOM 0 H LEU A 204 58.170 1.477 11.702 1.00 0.00 H new ATOM 0 HA LEU A 204 60.926 1.028 11.675 1.00 0.00 H new ATOM 0 HB2 LEU A 204 59.160 -0.552 12.467 1.00 0.00 H new ATOM 0 HB3 LEU A 204 58.651 -0.795 10.807 1.00 0.00 H new ATOM 0 HG LEU A 204 61.517 -1.301 11.436 1.00 0.00 H new ATOM 0 HD11 LEU A 204 61.020 -3.588 12.200 1.00 0.00 H new ATOM 0 HD12 LEU A 204 60.396 -2.355 13.321 1.00 0.00 H new ATOM 0 HD13 LEU A 204 59.285 -3.192 12.210 1.00 0.00 H new ATOM 0 HD21 LEU A 204 61.163 -3.186 9.844 1.00 0.00 H new ATOM 0 HD22 LEU A 204 59.434 -2.771 9.760 1.00 0.00 H new ATOM 0 HD23 LEU A 204 60.654 -1.628 9.150 1.00 0.00 H new ATOM 118 N LEU A 205 59.428 0.806 8.737 1.00 0.00 N ATOM 119 CA LEU A 205 59.624 0.822 7.273 1.00 0.00 C ATOM 120 C LEU A 205 60.362 2.064 6.748 1.00 0.00 C ATOM 121 O LEU A 205 60.773 2.097 5.591 1.00 0.00 O ATOM 122 CB LEU A 205 58.288 0.640 6.522 1.00 0.00 C ATOM 123 CG LEU A 205 57.805 -0.803 6.251 1.00 0.00 C ATOM 124 CD1 LEU A 205 58.791 -1.509 5.379 1.00 0.00 C ATOM 125 CD2 LEU A 205 57.601 -1.588 7.522 1.00 0.00 C ATOM 0 H LEU A 205 58.450 0.724 9.016 1.00 0.00 H new ATOM 0 HA LEU A 205 60.273 -0.029 7.069 1.00 0.00 H new ATOM 0 HB2 LEU A 205 57.512 1.152 7.091 1.00 0.00 H new ATOM 0 HB3 LEU A 205 58.370 1.151 5.563 1.00 0.00 H new ATOM 0 HG LEU A 205 56.839 -0.734 5.750 1.00 0.00 H new ATOM 0 HD11 LEU A 205 58.447 -2.526 5.190 1.00 0.00 H new ATOM 0 HD12 LEU A 205 58.886 -0.977 4.433 1.00 0.00 H new ATOM 0 HD13 LEU A 205 59.760 -1.540 5.877 1.00 0.00 H new ATOM 0 HD21 LEU A 205 57.262 -2.595 7.277 1.00 0.00 H new ATOM 0 HD22 LEU A 205 58.542 -1.645 8.069 1.00 0.00 H new ATOM 0 HD23 LEU A 205 56.852 -1.093 8.139 1.00 0.00 H new ATOM 137 N THR A 206 60.531 3.058 7.590 1.00 0.00 N ATOM 138 CA THR A 206 61.213 4.243 7.236 1.00 0.00 C ATOM 139 C THR A 206 62.766 4.045 7.325 1.00 0.00 C ATOM 140 O THR A 206 63.531 4.749 6.658 1.00 0.00 O ATOM 141 CB THR A 206 60.742 5.376 8.163 1.00 0.00 C ATOM 142 OG1 THR A 206 59.299 5.471 8.108 1.00 0.00 O ATOM 143 CG2 THR A 206 61.333 6.692 7.752 1.00 0.00 C ATOM 0 H THR A 206 60.187 3.048 8.550 1.00 0.00 H new ATOM 0 HA THR A 206 60.985 4.503 6.202 1.00 0.00 H new ATOM 0 HB THR A 206 61.071 5.147 9.177 1.00 0.00 H new ATOM 0 HG1 THR A 206 58.903 4.709 8.580 1.00 0.00 H new ATOM 0 HG21 THR A 206 60.982 7.474 8.425 1.00 0.00 H new ATOM 0 HG22 THR A 206 62.420 6.633 7.799 1.00 0.00 H new ATOM 0 HG23 THR A 206 61.026 6.926 6.733 1.00 0.00 H new ATOM 151 N THR A 207 63.232 3.077 8.116 1.00 0.00 N ATOM 152 CA THR A 207 64.668 2.871 8.255 1.00 0.00 C ATOM 153 C THR A 207 65.032 1.369 8.266 1.00 0.00 C ATOM 154 O THR A 207 66.159 0.986 7.937 1.00 0.00 O ATOM 155 CB THR A 207 65.225 3.606 9.523 1.00 0.00 C ATOM 156 OG1 THR A 207 66.654 3.469 9.614 1.00 0.00 O ATOM 157 CG2 THR A 207 64.586 3.074 10.801 1.00 0.00 C ATOM 0 H THR A 207 62.649 2.439 8.657 1.00 0.00 H new ATOM 0 HA THR A 207 65.147 3.310 7.380 1.00 0.00 H new ATOM 0 HB THR A 207 64.972 4.661 9.416 1.00 0.00 H new ATOM 0 HG1 THR A 207 66.977 3.937 10.412 1.00 0.00 H new ATOM 0 HG21 THR A 207 64.995 3.605 11.661 1.00 0.00 H new ATOM 0 HG22 THR A 207 63.508 3.227 10.759 1.00 0.00 H new ATOM 0 HG23 THR A 207 64.798 2.009 10.898 1.00 0.00 H new ATOM 165 N GLN A 208 64.080 0.533 8.596 1.00 0.00 N ATOM 166 CA GLN A 208 64.278 -0.874 8.653 1.00 0.00 C ATOM 167 C GLN A 208 63.536 -1.512 7.503 1.00 0.00 C ATOM 168 O GLN A 208 62.438 -1.084 7.161 1.00 0.00 O ATOM 169 CB GLN A 208 63.791 -1.408 9.998 1.00 0.00 C ATOM 170 CG GLN A 208 64.572 -0.859 11.175 1.00 0.00 C ATOM 171 CD GLN A 208 64.339 -1.597 12.487 1.00 0.00 C ATOM 172 OE1 GLN A 208 64.402 -0.993 13.557 1.00 0.00 O ATOM 173 NE2 GLN A 208 64.149 -2.897 12.436 1.00 0.00 N ATOM 0 H GLN A 208 63.133 0.827 8.835 1.00 0.00 H new ATOM 0 HA GLN A 208 65.337 -1.116 8.565 1.00 0.00 H new ATOM 0 HB2 GLN A 208 62.737 -1.158 10.121 1.00 0.00 H new ATOM 0 HB3 GLN A 208 63.863 -2.496 9.998 1.00 0.00 H new ATOM 0 HG2 GLN A 208 65.635 -0.893 10.937 1.00 0.00 H new ATOM 0 HG3 GLN A 208 64.310 0.190 11.311 1.00 0.00 H new ATOM 0 HE21 GLN A 208 64.101 -3.370 11.534 1.00 0.00 H new ATOM 0 HE22 GLN A 208 64.049 -3.432 13.299 1.00 0.00 H new ATOM 182 N CYS A 209 64.194 -2.474 6.883 1.00 0.00 N ATOM 183 CA CYS A 209 63.721 -3.252 5.735 1.00 0.00 C ATOM 184 C CYS A 209 62.246 -3.651 5.948 1.00 0.00 C ATOM 185 O CYS A 209 61.388 -3.046 5.423 1.00 0.00 O ATOM 186 CB CYS A 209 64.659 -4.500 5.591 1.00 0.00 C ATOM 187 SG CYS A 209 65.219 -4.955 3.902 1.00 0.00 S ATOM 0 H CYS A 209 65.129 -2.756 7.179 1.00 0.00 H new ATOM 0 HA CYS A 209 63.760 -2.671 4.814 1.00 0.00 H new ATOM 0 HB2 CYS A 209 65.544 -4.327 6.203 1.00 0.00 H new ATOM 0 HB3 CYS A 209 64.141 -5.360 6.016 1.00 0.00 H new ATOM 0 HG CYS A 209 65.598 -3.885 3.268 1.00 0.00 H new ATOM 192 N GLY A 210 61.967 -4.637 6.718 1.00 0.00 N ATOM 193 CA GLY A 210 60.587 -4.977 6.980 1.00 0.00 C ATOM 194 C GLY A 210 59.920 -5.660 5.816 1.00 0.00 C ATOM 195 O GLY A 210 58.752 -5.929 5.845 1.00 0.00 O ATOM 0 H GLY A 210 62.657 -5.228 7.182 1.00 0.00 H new ATOM 0 HA2 GLY A 210 60.538 -5.628 7.853 1.00 0.00 H new ATOM 0 HA3 GLY A 210 60.035 -4.070 7.227 1.00 0.00 H new ATOM 199 N VAL A 211 60.696 -5.964 4.808 1.00 0.00 N ATOM 200 CA VAL A 211 60.202 -6.611 3.623 1.00 0.00 C ATOM 201 C VAL A 211 59.954 -8.072 3.879 1.00 0.00 C ATOM 202 O VAL A 211 60.822 -8.773 4.396 1.00 0.00 O ATOM 203 CB VAL A 211 61.237 -6.403 2.515 1.00 0.00 C ATOM 204 CG1 VAL A 211 62.598 -6.712 2.947 1.00 0.00 C ATOM 205 CG2 VAL A 211 60.884 -7.000 1.158 1.00 0.00 C ATOM 0 H VAL A 211 61.697 -5.767 4.788 1.00 0.00 H new ATOM 0 HA VAL A 211 59.247 -6.180 3.321 1.00 0.00 H new ATOM 0 HB VAL A 211 61.203 -5.330 2.327 1.00 0.00 H new ATOM 0 HG11 VAL A 211 63.289 -6.546 2.120 1.00 0.00 H new ATOM 0 HG12 VAL A 211 62.870 -6.066 3.782 1.00 0.00 H new ATOM 0 HG13 VAL A 211 62.652 -7.754 3.262 1.00 0.00 H new ATOM 0 HG21 VAL A 211 61.686 -6.793 0.450 1.00 0.00 H new ATOM 0 HG22 VAL A 211 60.756 -8.078 1.257 1.00 0.00 H new ATOM 0 HG23 VAL A 211 59.957 -6.556 0.796 1.00 0.00 H new ATOM 215 N ILE A 212 58.788 -8.505 3.570 1.00 0.00 N ATOM 216 CA ILE A 212 58.431 -9.869 3.757 1.00 0.00 C ATOM 217 C ILE A 212 58.929 -10.622 2.538 1.00 0.00 C ATOM 218 O ILE A 212 58.527 -10.301 1.403 1.00 0.00 O ATOM 219 CB ILE A 212 56.887 -10.037 3.901 1.00 0.00 C ATOM 220 CG1 ILE A 212 56.338 -9.057 4.948 1.00 0.00 C ATOM 221 CG2 ILE A 212 56.551 -11.465 4.320 1.00 0.00 C ATOM 222 CD1 ILE A 212 54.829 -9.097 5.108 1.00 0.00 C ATOM 0 H ILE A 212 58.048 -7.923 3.178 1.00 0.00 H new ATOM 0 HA ILE A 212 58.877 -10.255 4.673 1.00 0.00 H new ATOM 0 HB ILE A 212 56.427 -9.825 2.936 1.00 0.00 H new ATOM 0 HG12 ILE A 212 56.800 -9.275 5.911 1.00 0.00 H new ATOM 0 HG13 ILE A 212 56.636 -8.045 4.674 1.00 0.00 H new ATOM 0 HG21 ILE A 212 55.471 -11.571 4.418 1.00 0.00 H new ATOM 0 HG22 ILE A 212 56.917 -12.161 3.566 1.00 0.00 H new ATOM 0 HG23 ILE A 212 57.025 -11.685 5.277 1.00 0.00 H new ATOM 0 HD11 ILE A 212 54.524 -8.375 5.866 1.00 0.00 H new ATOM 0 HD12 ILE A 212 54.356 -8.848 4.158 1.00 0.00 H new ATOM 0 HD13 ILE A 212 54.522 -10.097 5.415 1.00 0.00 H new ATOM 313 N LYS A 218 58.556 -13.636 7.493 1.00 0.00 N ATOM 314 CA LYS A 218 58.041 -12.447 8.121 1.00 0.00 C ATOM 315 C LYS A 218 58.716 -11.249 7.515 1.00 0.00 C ATOM 316 O LYS A 218 59.357 -11.353 6.458 1.00 0.00 O ATOM 317 CB LYS A 218 58.303 -12.481 9.639 1.00 0.00 C ATOM 318 CG LYS A 218 57.633 -13.619 10.381 1.00 0.00 C ATOM 319 CD LYS A 218 57.976 -13.571 11.858 1.00 0.00 C ATOM 320 CE LYS A 218 57.321 -14.704 12.632 1.00 0.00 C ATOM 321 NZ LYS A 218 57.644 -14.656 14.075 1.00 0.00 N ATOM 0 HA LYS A 218 56.964 -12.391 7.960 1.00 0.00 H new ATOM 0 HB2 LYS A 218 59.378 -12.543 9.805 1.00 0.00 H new ATOM 0 HB3 LYS A 218 57.967 -11.538 10.071 1.00 0.00 H new ATOM 0 HG2 LYS A 218 56.552 -13.558 10.251 1.00 0.00 H new ATOM 0 HG3 LYS A 218 57.952 -14.572 9.959 1.00 0.00 H new ATOM 0 HD2 LYS A 218 59.058 -13.626 11.981 1.00 0.00 H new ATOM 0 HD3 LYS A 218 57.656 -12.616 12.274 1.00 0.00 H new ATOM 0 HE2 LYS A 218 56.240 -14.653 12.502 1.00 0.00 H new ATOM 0 HE3 LYS A 218 57.647 -15.659 12.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 57.176 -15.447 14.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 58.673 -14.731 14.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 57.310 -13.756 14.476 1.00 0.00 H new ATOM 335 N MET A 219 58.581 -10.137 8.169 1.00 0.00 N ATOM 336 CA MET A 219 59.188 -8.892 7.740 1.00 0.00 C ATOM 337 C MET A 219 60.684 -8.938 7.979 1.00 0.00 C ATOM 338 O MET A 219 61.141 -9.488 8.988 1.00 0.00 O ATOM 339 CB MET A 219 58.578 -7.741 8.522 1.00 0.00 C ATOM 340 CG MET A 219 57.150 -7.499 8.245 1.00 0.00 C ATOM 341 SD MET A 219 56.403 -6.494 9.542 1.00 0.00 S ATOM 342 CE MET A 219 57.296 -4.955 9.332 1.00 0.00 C ATOM 0 H MET A 219 58.040 -10.056 9.030 1.00 0.00 H new ATOM 0 HA MET A 219 59.004 -8.748 6.675 1.00 0.00 H new ATOM 0 HB2 MET A 219 58.700 -7.938 9.587 1.00 0.00 H new ATOM 0 HB3 MET A 219 59.137 -6.832 8.300 1.00 0.00 H new ATOM 0 HG2 MET A 219 57.042 -6.997 7.283 1.00 0.00 H new ATOM 0 HG3 MET A 219 56.624 -8.451 8.169 1.00 0.00 H new ATOM 0 HE1 MET A 219 56.779 -4.158 9.867 1.00 0.00 H new ATOM 0 HE2 MET A 219 58.305 -5.063 9.729 1.00 0.00 H new ATOM 0 HE3 MET A 219 57.348 -4.706 8.272 1.00 0.00 H new ATOM 352 N CYS A 220 61.446 -8.386 7.057 1.00 0.00 N ATOM 353 CA CYS A 220 62.885 -8.370 7.193 1.00 0.00 C ATOM 354 C CYS A 220 63.298 -7.391 8.315 1.00 0.00 C ATOM 355 O CYS A 220 62.622 -6.426 8.542 1.00 0.00 O ATOM 356 CB CYS A 220 63.492 -7.975 5.874 1.00 0.00 C ATOM 357 SG CYS A 220 65.248 -7.998 5.879 1.00 0.00 S ATOM 0 H CYS A 220 61.093 -7.944 6.208 1.00 0.00 H new ATOM 0 HA CYS A 220 63.249 -9.360 7.467 1.00 0.00 H new ATOM 0 HB2 CYS A 220 63.129 -8.650 5.099 1.00 0.00 H new ATOM 0 HB3 CYS A 220 63.150 -6.974 5.610 1.00 0.00 H new ATOM 0 HG CYS A 220 65.676 -8.673 4.854 1.00 0.00 H new ATOM 362 N THR A 221 64.397 -7.606 8.978 1.00 0.00 N ATOM 363 CA THR A 221 64.712 -6.767 10.130 1.00 0.00 C ATOM 364 C THR A 221 65.846 -5.760 9.907 1.00 0.00 C ATOM 365 O THR A 221 65.875 -4.707 10.545 1.00 0.00 O ATOM 366 CB THR A 221 64.999 -7.652 11.329 1.00 0.00 C ATOM 367 OG1 THR A 221 65.998 -8.613 10.958 1.00 0.00 O ATOM 368 CG2 THR A 221 63.730 -8.371 11.722 1.00 0.00 C ATOM 0 H THR A 221 65.082 -8.330 8.761 1.00 0.00 H new ATOM 0 HA THR A 221 63.832 -6.149 10.309 1.00 0.00 H new ATOM 0 HB THR A 221 65.353 -7.053 12.168 1.00 0.00 H new ATOM 0 HG1 THR A 221 66.196 -9.192 11.724 1.00 0.00 H new ATOM 0 HG21 THR A 221 63.926 -9.010 12.583 1.00 0.00 H new ATOM 0 HG22 THR A 221 62.963 -7.641 11.979 1.00 0.00 H new ATOM 0 HG23 THR A 221 63.385 -8.982 10.888 1.00 0.00 H new ATOM 376 N ARG A 222 66.771 -6.081 9.005 1.00 0.00 N ATOM 377 CA ARG A 222 67.925 -5.221 8.699 1.00 0.00 C ATOM 378 C ARG A 222 67.508 -3.913 8.013 1.00 0.00 C ATOM 379 O ARG A 222 66.333 -3.622 7.908 1.00 0.00 O ATOM 380 CB ARG A 222 68.901 -5.981 7.802 1.00 0.00 C ATOM 381 CG ARG A 222 69.617 -7.184 8.456 1.00 0.00 C ATOM 382 CD ARG A 222 68.718 -8.324 8.913 1.00 0.00 C ATOM 383 NE ARG A 222 69.494 -9.397 9.549 1.00 0.00 N ATOM 384 CZ ARG A 222 68.991 -10.503 10.140 1.00 0.00 C ATOM 385 NH1 ARG A 222 67.684 -10.700 10.213 1.00 0.00 N ATOM 386 NH2 ARG A 222 69.811 -11.392 10.676 1.00 0.00 N ATOM 0 H ARG A 222 66.747 -6.944 8.462 1.00 0.00 H new ATOM 0 HA ARG A 222 68.402 -4.959 9.643 1.00 0.00 H new ATOM 0 HB2 ARG A 222 68.358 -6.337 6.926 1.00 0.00 H new ATOM 0 HB3 ARG A 222 69.657 -5.282 7.446 1.00 0.00 H new ATOM 0 HG2 ARG A 222 70.342 -7.581 7.745 1.00 0.00 H new ATOM 0 HG3 ARG A 222 70.180 -6.823 9.317 1.00 0.00 H new ATOM 0 HD2 ARG A 222 67.976 -7.945 9.615 1.00 0.00 H new ATOM 0 HD3 ARG A 222 68.173 -8.725 8.058 1.00 0.00 H new ATOM 0 HE ARG A 222 70.509 -9.298 9.544 1.00 0.00 H new ATOM 0 HH11 ARG A 222 67.042 -10.012 9.820 1.00 0.00 H new ATOM 0 HH12 ARG A 222 67.319 -11.540 10.662 1.00 0.00 H new ATOM 0 HH21 ARG A 222 70.819 -11.241 10.642 1.00 0.00 H new ATOM 0 HH22 ARG A 222 69.435 -12.228 11.123 1.00 0.00 H new ATOM 400 N SER A 223 68.477 -3.163 7.529 1.00 0.00 N ATOM 401 CA SER A 223 68.254 -1.894 6.821 1.00 0.00 C ATOM 402 C SER A 223 67.426 -2.135 5.540 1.00 0.00 C ATOM 403 O SER A 223 67.278 -3.274 5.124 1.00 0.00 O ATOM 404 CB SER A 223 69.624 -1.316 6.479 1.00 0.00 C ATOM 405 OG SER A 223 70.391 -2.260 5.737 1.00 0.00 O ATOM 0 H SER A 223 69.463 -3.412 7.612 1.00 0.00 H new ATOM 0 HA SER A 223 67.695 -1.196 7.444 1.00 0.00 H new ATOM 0 HB2 SER A 223 69.505 -0.400 5.901 1.00 0.00 H new ATOM 0 HB3 SER A 223 70.152 -1.049 7.395 1.00 0.00 H new ATOM 0 HG SER A 223 71.266 -1.875 5.523 1.00 0.00 H new ATOM 411 N LEU A 224 66.890 -1.102 4.916 1.00 0.00 N ATOM 412 CA LEU A 224 66.065 -1.279 3.706 1.00 0.00 C ATOM 413 C LEU A 224 66.902 -1.894 2.610 1.00 0.00 C ATOM 414 O LEU A 224 66.504 -2.888 1.988 1.00 0.00 O ATOM 415 CB LEU A 224 65.570 0.037 3.189 1.00 0.00 C ATOM 416 CG LEU A 224 65.245 1.146 4.170 1.00 0.00 C ATOM 417 CD1 LEU A 224 64.861 2.344 3.391 1.00 0.00 C ATOM 418 CD2 LEU A 224 64.088 0.753 5.043 1.00 0.00 C ATOM 0 H LEU A 224 67.002 -0.133 5.214 1.00 0.00 H new ATOM 0 HA LEU A 224 65.222 -1.915 3.976 1.00 0.00 H new ATOM 0 HB2 LEU A 224 66.321 0.421 2.498 1.00 0.00 H new ATOM 0 HB3 LEU A 224 64.670 -0.158 2.606 1.00 0.00 H new ATOM 0 HG LEU A 224 66.113 1.341 4.800 1.00 0.00 H new ATOM 0 HD11 LEU A 224 64.621 3.160 4.073 1.00 0.00 H new ATOM 0 HD12 LEU A 224 65.689 2.640 2.748 1.00 0.00 H new ATOM 0 HD13 LEU A 224 63.989 2.115 2.778 1.00 0.00 H new ATOM 0 HD21 LEU A 224 63.868 1.561 5.741 1.00 0.00 H new ATOM 0 HD22 LEU A 224 63.213 0.562 4.422 1.00 0.00 H new ATOM 0 HD23 LEU A 224 64.342 -0.149 5.600 1.00 0.00 H new ATOM 430 N ARG A 225 68.102 -1.372 2.463 1.00 0.00 N ATOM 431 CA ARG A 225 69.022 -1.765 1.414 1.00 0.00 C ATOM 432 C ARG A 225 69.719 -3.098 1.722 1.00 0.00 C ATOM 433 O ARG A 225 70.543 -3.550 0.943 1.00 0.00 O ATOM 434 CB ARG A 225 70.046 -0.629 1.194 1.00 0.00 C ATOM 435 CG ARG A 225 71.061 -0.421 2.319 1.00 0.00 C ATOM 436 CD ARG A 225 72.260 -1.352 2.156 1.00 0.00 C ATOM 437 NE ARG A 225 73.292 -1.220 3.185 1.00 0.00 N ATOM 438 CZ ARG A 225 74.370 -2.029 3.254 1.00 0.00 C ATOM 439 NH1 ARG A 225 74.483 -3.057 2.410 1.00 0.00 N ATOM 440 NH2 ARG A 225 75.314 -1.834 4.174 1.00 0.00 N ATOM 0 H ARG A 225 68.473 -0.649 3.080 1.00 0.00 H new ATOM 0 HA ARG A 225 68.456 -1.927 0.496 1.00 0.00 H new ATOM 0 HB2 ARG A 225 70.591 -0.830 0.271 1.00 0.00 H new ATOM 0 HB3 ARG A 225 69.500 0.303 1.046 1.00 0.00 H new ATOM 0 HG2 ARG A 225 71.399 0.615 2.321 1.00 0.00 H new ATOM 0 HG3 ARG A 225 70.584 -0.603 3.282 1.00 0.00 H new ATOM 0 HD2 ARG A 225 71.903 -2.382 2.151 1.00 0.00 H new ATOM 0 HD3 ARG A 225 72.714 -1.168 1.182 1.00 0.00 H new ATOM 0 HE ARG A 225 73.192 -0.482 3.882 1.00 0.00 H new ATOM 0 HH11 ARG A 225 73.756 -3.229 1.716 1.00 0.00 H new ATOM 0 HH12 ARG A 225 75.296 -3.670 2.459 1.00 0.00 H new ATOM 0 HH21 ARG A 225 75.227 -1.065 4.838 1.00 0.00 H new ATOM 0 HH22 ARG A 225 76.123 -2.454 4.214 1.00 0.00 H new ATOM 454 N CYS A 226 69.342 -3.711 2.847 1.00 0.00 N ATOM 455 CA CYS A 226 69.936 -4.917 3.404 1.00 0.00 C ATOM 456 C CYS A 226 70.558 -5.962 2.387 1.00 0.00 C ATOM 457 O CYS A 226 71.744 -6.254 2.470 1.00 0.00 O ATOM 458 CB CYS A 226 68.873 -5.472 4.312 1.00 0.00 C ATOM 459 SG CYS A 226 68.408 -7.147 4.171 1.00 0.00 S ATOM 0 H CYS A 226 68.575 -3.357 3.419 1.00 0.00 H new ATOM 0 HA CYS A 226 70.852 -4.664 3.937 1.00 0.00 H new ATOM 0 HB2 CYS A 226 69.204 -5.311 5.338 1.00 0.00 H new ATOM 0 HB3 CYS A 226 67.975 -4.871 4.168 1.00 0.00 H new ATOM 0 HG CYS A 226 67.290 -7.342 4.804 1.00 0.00 H new ATOM 464 N PRO A 227 69.791 -6.520 1.433 1.00 0.00 N ATOM 465 CA PRO A 227 70.260 -7.550 0.506 1.00 0.00 C ATOM 466 C PRO A 227 70.202 -7.043 -0.971 1.00 0.00 C ATOM 467 O PRO A 227 71.109 -6.362 -1.450 1.00 0.00 O ATOM 468 CB PRO A 227 69.151 -8.584 0.757 1.00 0.00 C ATOM 469 CG PRO A 227 67.972 -7.719 1.157 1.00 0.00 C ATOM 470 CD PRO A 227 68.428 -6.296 1.182 1.00 0.00 C ATOM 0 HA PRO A 227 71.287 -7.888 0.647 1.00 0.00 H new ATOM 0 HB2 PRO A 227 68.937 -9.173 -0.135 1.00 0.00 H new ATOM 0 HB3 PRO A 227 69.423 -9.287 1.545 1.00 0.00 H new ATOM 0 HG2 PRO A 227 67.151 -7.843 0.450 1.00 0.00 H new ATOM 0 HG3 PRO A 227 67.597 -8.016 2.136 1.00 0.00 H new ATOM 0 HD2 PRO A 227 68.251 -5.778 0.239 1.00 0.00 H new ATOM 0 HD3 PRO A 227 67.944 -5.710 1.964 1.00 0.00 H new ATOM 478 N GLN A 228 69.112 -7.383 -1.662 1.00 0.00 N ATOM 479 CA GLN A 228 68.777 -6.860 -2.939 1.00 0.00 C ATOM 480 C GLN A 228 67.272 -6.625 -2.867 1.00 0.00 C ATOM 481 O GLN A 228 66.556 -6.714 -3.842 1.00 0.00 O ATOM 482 CB GLN A 228 69.127 -7.844 -4.047 1.00 0.00 C ATOM 483 CG GLN A 228 69.075 -7.241 -5.452 1.00 0.00 C ATOM 484 CD GLN A 228 69.410 -8.234 -6.542 1.00 0.00 C ATOM 485 OE1 GLN A 228 70.169 -9.177 -6.336 1.00 0.00 O ATOM 486 NE2 GLN A 228 68.871 -8.032 -7.706 1.00 0.00 N ATOM 0 H GLN A 228 68.430 -8.056 -1.314 1.00 0.00 H new ATOM 0 HA GLN A 228 69.329 -5.949 -3.171 1.00 0.00 H new ATOM 0 HB2 GLN A 228 70.128 -8.237 -3.868 1.00 0.00 H new ATOM 0 HB3 GLN A 228 68.440 -8.689 -3.999 1.00 0.00 H new ATOM 0 HG2 GLN A 228 68.078 -6.839 -5.631 1.00 0.00 H new ATOM 0 HG3 GLN A 228 69.771 -6.404 -5.506 1.00 0.00 H new ATOM 0 HE21 GLN A 228 68.244 -7.240 -7.847 1.00 0.00 H new ATOM 0 HE22 GLN A 228 69.074 -8.665 -8.479 1.00 0.00 H new ATOM 495 N HIS A 229 66.802 -6.421 -1.628 1.00 0.00 N ATOM 496 CA HIS A 229 65.460 -6.011 -1.355 1.00 0.00 C ATOM 497 C HIS A 229 65.300 -4.601 -1.909 1.00 0.00 C ATOM 498 O HIS A 229 65.613 -3.604 -1.267 1.00 0.00 O ATOM 499 CB HIS A 229 65.083 -6.080 0.151 1.00 0.00 C ATOM 500 CG HIS A 229 64.804 -7.517 0.745 1.00 0.00 C ATOM 501 ND1 HIS A 229 65.157 -8.030 2.111 1.00 0.00 N ATOM 502 CD2 HIS A 229 64.004 -8.430 0.191 1.00 0.00 C ATOM 503 CE1 HIS A 229 64.484 -9.139 2.200 1.00 0.00 C ATOM 504 NE2 HIS A 229 63.803 -9.437 1.088 1.00 0.00 N ATOM 0 H HIS A 229 67.370 -6.544 -0.790 1.00 0.00 H new ATOM 0 HA HIS A 229 64.771 -6.704 -1.838 1.00 0.00 H new ATOM 0 HB2 HIS A 229 65.890 -5.625 0.725 1.00 0.00 H new ATOM 0 HB3 HIS A 229 64.195 -5.468 0.308 1.00 0.00 H new ATOM 0 HD2 HIS A 229 63.585 -8.380 -0.803 1.00 0.00 H new ATOM 0 HE1 HIS A 229 64.476 -9.758 3.085 1.00 0.00 H new ATOM 0 HE2 HIS A 229 63.234 -10.270 0.938 1.00 0.00 H new ATOM 512 N THR A 230 64.846 -4.606 -3.096 1.00 0.00 N ATOM 513 CA THR A 230 64.759 -3.484 -4.024 1.00 0.00 C ATOM 514 C THR A 230 63.772 -2.434 -3.609 1.00 0.00 C ATOM 515 O THR A 230 63.023 -2.616 -2.668 1.00 0.00 O ATOM 516 CB THR A 230 64.295 -4.003 -5.393 1.00 0.00 C ATOM 517 OG1 THR A 230 63.051 -4.706 -5.214 1.00 0.00 O ATOM 518 CG2 THR A 230 65.297 -4.947 -5.996 1.00 0.00 C ATOM 0 H THR A 230 64.483 -5.464 -3.512 1.00 0.00 H new ATOM 0 HA THR A 230 65.752 -3.035 -4.048 1.00 0.00 H new ATOM 0 HB THR A 230 64.180 -3.152 -6.065 1.00 0.00 H new ATOM 0 HG1 THR A 230 62.739 -5.044 -6.079 1.00 0.00 H new ATOM 0 HG21 THR A 230 64.934 -5.293 -6.964 1.00 0.00 H new ATOM 0 HG22 THR A 230 66.248 -4.432 -6.128 1.00 0.00 H new ATOM 0 HG23 THR A 230 65.436 -5.802 -5.334 1.00 0.00 H new ATOM 526 N ASP A 231 63.727 -1.366 -4.389 1.00 0.00 N ATOM 527 CA ASP A 231 62.787 -0.266 -4.215 1.00 0.00 C ATOM 528 C ASP A 231 61.349 -0.776 -4.261 1.00 0.00 C ATOM 529 O ASP A 231 60.483 -0.227 -3.619 1.00 0.00 O ATOM 530 CB ASP A 231 62.969 0.794 -5.321 1.00 0.00 C ATOM 531 CG ASP A 231 62.492 0.335 -6.698 1.00 0.00 C ATOM 532 OD1 ASP A 231 63.249 -0.346 -7.414 1.00 0.00 O ATOM 533 OD2 ASP A 231 61.356 0.643 -7.074 1.00 0.00 O ATOM 0 H ASP A 231 64.357 -1.235 -5.180 1.00 0.00 H new ATOM 0 HA ASP A 231 62.988 0.185 -3.243 1.00 0.00 H new ATOM 0 HB2 ASP A 231 62.425 1.696 -5.040 1.00 0.00 H new ATOM 0 HB3 ASP A 231 64.023 1.064 -5.383 1.00 0.00 H new ATOM 538 N GLU A 232 61.131 -1.851 -5.004 1.00 0.00 N ATOM 539 CA GLU A 232 59.809 -2.458 -5.171 1.00 0.00 C ATOM 540 C GLU A 232 59.498 -3.241 -3.923 1.00 0.00 C ATOM 541 O GLU A 232 58.385 -3.260 -3.446 1.00 0.00 O ATOM 542 CB GLU A 232 59.846 -3.427 -6.352 1.00 0.00 C ATOM 543 CG GLU A 232 60.421 -2.853 -7.635 1.00 0.00 C ATOM 544 CD GLU A 232 60.613 -3.907 -8.702 1.00 0.00 C ATOM 545 OE1 GLU A 232 61.669 -4.567 -8.718 1.00 0.00 O ATOM 546 OE2 GLU A 232 59.712 -4.092 -9.550 1.00 0.00 O ATOM 0 H GLU A 232 61.870 -2.334 -5.514 1.00 0.00 H new ATOM 0 HA GLU A 232 59.058 -1.688 -5.348 1.00 0.00 H new ATOM 0 HB2 GLU A 232 60.433 -4.301 -6.068 1.00 0.00 H new ATOM 0 HB3 GLU A 232 58.832 -3.774 -6.550 1.00 0.00 H new ATOM 0 HG2 GLU A 232 59.757 -2.075 -8.012 1.00 0.00 H new ATOM 0 HG3 GLU A 232 61.378 -2.378 -7.421 1.00 0.00 H new ATOM 553 N GLN A 233 60.510 -3.865 -3.406 1.00 0.00 N ATOM 554 CA GLN A 233 60.432 -4.640 -2.196 1.00 0.00 C ATOM 555 C GLN A 233 60.257 -3.754 -1.000 1.00 0.00 C ATOM 556 O GLN A 233 59.631 -4.115 0.000 1.00 0.00 O ATOM 557 CB GLN A 233 61.647 -5.508 -2.091 1.00 0.00 C ATOM 558 CG GLN A 233 61.594 -6.604 -3.120 1.00 0.00 C ATOM 559 CD GLN A 233 62.707 -7.571 -3.052 1.00 0.00 C ATOM 560 OE1 GLN A 233 62.642 -8.575 -2.377 1.00 0.00 O ATOM 561 NE2 GLN A 233 63.707 -7.303 -3.788 1.00 0.00 N ATOM 0 H GLN A 233 61.441 -3.852 -3.822 1.00 0.00 H new ATOM 0 HA GLN A 233 59.554 -5.285 -2.228 1.00 0.00 H new ATOM 0 HB2 GLN A 233 62.545 -4.907 -2.235 1.00 0.00 H new ATOM 0 HB3 GLN A 233 61.709 -5.940 -1.092 1.00 0.00 H new ATOM 0 HG2 GLN A 233 60.654 -7.144 -3.007 1.00 0.00 H new ATOM 0 HG3 GLN A 233 61.584 -6.152 -4.112 1.00 0.00 H new ATOM 0 HE21 GLN A 233 63.719 -6.445 -4.340 1.00 0.00 H new ATOM 0 HE22 GLN A 233 64.498 -7.946 -3.827 1.00 0.00 H new ATOM 570 N ARG A 234 60.837 -2.608 -1.094 1.00 0.00 N ATOM 571 CA ARG A 234 60.694 -1.600 -0.103 1.00 0.00 C ATOM 572 C ARG A 234 59.337 -0.952 -0.229 1.00 0.00 C ATOM 573 O ARG A 234 58.767 -0.483 0.737 1.00 0.00 O ATOM 574 CB ARG A 234 61.838 -0.584 -0.219 1.00 0.00 C ATOM 575 CG ARG A 234 63.224 -1.218 -0.100 1.00 0.00 C ATOM 576 CD ARG A 234 63.548 -1.469 1.299 1.00 0.00 C ATOM 577 NE ARG A 234 62.780 -2.500 1.823 1.00 0.00 N ATOM 578 CZ ARG A 234 61.808 -2.298 2.693 1.00 0.00 C ATOM 579 NH1 ARG A 234 61.823 -1.212 3.469 1.00 0.00 N ATOM 580 NH2 ARG A 234 60.794 -3.140 2.758 1.00 0.00 N ATOM 0 H ARG A 234 61.435 -2.341 -1.876 1.00 0.00 H new ATOM 0 HA ARG A 234 60.756 -2.043 0.891 1.00 0.00 H new ATOM 0 HB2 ARG A 234 61.762 -0.070 -1.177 1.00 0.00 H new ATOM 0 HB3 ARG A 234 61.724 0.172 0.558 1.00 0.00 H new ATOM 0 HG2 ARG A 234 63.253 -2.153 -0.660 1.00 0.00 H new ATOM 0 HG3 ARG A 234 63.972 -0.559 -0.541 1.00 0.00 H new ATOM 0 HD2 ARG A 234 64.605 -1.719 1.389 1.00 0.00 H new ATOM 0 HD3 ARG A 234 63.385 -0.561 1.880 1.00 0.00 H new ATOM 0 HE ARG A 234 62.975 -3.455 1.523 1.00 0.00 H new ATOM 0 HH11 ARG A 234 62.585 -0.539 3.389 1.00 0.00 H new ATOM 0 HH12 ARG A 234 61.072 -1.055 4.141 1.00 0.00 H new ATOM 0 HH21 ARG A 234 60.761 -3.948 2.136 1.00 0.00 H new ATOM 0 HH22 ARG A 234 60.043 -2.983 3.431 1.00 0.00 H new ATOM 594 N ARG A 235 58.825 -0.994 -1.419 1.00 0.00 N ATOM 595 CA ARG A 235 57.546 -0.406 -1.753 1.00 0.00 C ATOM 596 C ARG A 235 56.378 -1.287 -1.294 1.00 0.00 C ATOM 597 O ARG A 235 55.554 -0.874 -0.472 1.00 0.00 O ATOM 598 CB ARG A 235 57.482 -0.177 -3.284 1.00 0.00 C ATOM 599 CG ARG A 235 56.238 0.517 -3.792 1.00 0.00 C ATOM 600 CD ARG A 235 56.034 1.808 -3.060 1.00 0.00 C ATOM 601 NE ARG A 235 57.206 2.707 -3.096 1.00 0.00 N ATOM 602 CZ ARG A 235 57.235 3.946 -2.581 1.00 0.00 C ATOM 603 NH1 ARG A 235 56.114 4.514 -2.140 1.00 0.00 N ATOM 604 NH2 ARG A 235 58.385 4.623 -2.547 1.00 0.00 N ATOM 0 H ARG A 235 59.287 -1.445 -2.209 1.00 0.00 H new ATOM 0 HA ARG A 235 57.453 0.546 -1.230 1.00 0.00 H new ATOM 0 HB2 ARG A 235 58.351 0.410 -3.582 1.00 0.00 H new ATOM 0 HB3 ARG A 235 57.565 -1.143 -3.781 1.00 0.00 H new ATOM 0 HG2 ARG A 235 56.329 0.707 -4.861 1.00 0.00 H new ATOM 0 HG3 ARG A 235 55.370 -0.129 -3.655 1.00 0.00 H new ATOM 0 HD2 ARG A 235 55.177 2.327 -3.490 1.00 0.00 H new ATOM 0 HD3 ARG A 235 55.787 1.590 -2.021 1.00 0.00 H new ATOM 0 HE ARG A 235 58.054 2.361 -3.545 1.00 0.00 H new ATOM 0 HH11 ARG A 235 55.230 4.007 -2.193 1.00 0.00 H new ATOM 0 HH12 ARG A 235 56.139 5.456 -1.749 1.00 0.00 H new ATOM 0 HH21 ARG A 235 59.238 4.198 -2.912 1.00 0.00 H new ATOM 0 HH22 ARG A 235 58.411 5.565 -2.156 1.00 0.00 H new ATOM 618 N THR A 236 56.393 -2.515 -1.769 1.00 0.00 N ATOM 619 CA THR A 236 55.305 -3.462 -1.659 1.00 0.00 C ATOM 620 C THR A 236 54.797 -3.671 -0.229 1.00 0.00 C ATOM 621 O THR A 236 53.601 -3.689 0.012 1.00 0.00 O ATOM 622 CB THR A 236 55.710 -4.820 -2.310 1.00 0.00 C ATOM 623 OG1 THR A 236 54.591 -5.708 -2.368 1.00 0.00 O ATOM 624 CG2 THR A 236 56.845 -5.490 -1.542 1.00 0.00 C ATOM 0 H THR A 236 57.199 -2.896 -2.264 1.00 0.00 H new ATOM 0 HA THR A 236 54.466 -3.027 -2.202 1.00 0.00 H new ATOM 0 HB THR A 236 56.053 -4.602 -3.322 1.00 0.00 H new ATOM 0 HG1 THR A 236 54.865 -6.553 -2.781 1.00 0.00 H new ATOM 0 HG21 THR A 236 57.102 -6.434 -2.023 1.00 0.00 H new ATOM 0 HG22 THR A 236 57.717 -4.836 -1.537 1.00 0.00 H new ATOM 0 HG23 THR A 236 56.528 -5.680 -0.516 1.00 0.00 H new ATOM 632 N VAL A 237 55.700 -3.745 0.702 1.00 0.00 N ATOM 633 CA VAL A 237 55.360 -4.085 2.046 1.00 0.00 C ATOM 634 C VAL A 237 54.722 -2.904 2.805 1.00 0.00 C ATOM 635 O VAL A 237 53.858 -3.100 3.650 1.00 0.00 O ATOM 636 CB VAL A 237 56.593 -4.648 2.764 1.00 0.00 C ATOM 637 CG1 VAL A 237 57.678 -3.622 2.905 1.00 0.00 C ATOM 638 CG2 VAL A 237 56.245 -5.288 4.074 1.00 0.00 C ATOM 0 H VAL A 237 56.693 -3.571 0.549 1.00 0.00 H new ATOM 0 HA VAL A 237 54.595 -4.861 2.023 1.00 0.00 H new ATOM 0 HB VAL A 237 56.990 -5.440 2.129 1.00 0.00 H new ATOM 0 HG11 VAL A 237 58.532 -4.064 3.419 1.00 0.00 H new ATOM 0 HG12 VAL A 237 57.986 -3.280 1.917 1.00 0.00 H new ATOM 0 HG13 VAL A 237 57.306 -2.775 3.482 1.00 0.00 H new ATOM 0 HG21 VAL A 237 57.151 -5.671 4.544 1.00 0.00 H new ATOM 0 HG22 VAL A 237 55.782 -4.549 4.728 1.00 0.00 H new ATOM 0 HG23 VAL A 237 55.549 -6.110 3.904 1.00 0.00 H new ATOM 648 N ARG A 238 55.093 -1.684 2.447 1.00 0.00 N ATOM 649 CA ARG A 238 54.545 -0.502 3.105 1.00 0.00 C ATOM 650 C ARG A 238 53.169 -0.324 2.573 1.00 0.00 C ATOM 651 O ARG A 238 52.235 -0.026 3.279 1.00 0.00 O ATOM 652 CB ARG A 238 55.375 0.721 2.769 1.00 0.00 C ATOM 653 CG ARG A 238 56.827 0.562 3.098 1.00 0.00 C ATOM 654 CD ARG A 238 57.641 1.731 2.631 1.00 0.00 C ATOM 655 NE ARG A 238 57.404 2.954 3.406 1.00 0.00 N ATOM 656 CZ ARG A 238 57.735 4.193 2.993 1.00 0.00 C ATOM 657 NH1 ARG A 238 58.138 4.403 1.740 1.00 0.00 N ATOM 658 NH2 ARG A 238 57.621 5.216 3.815 1.00 0.00 N ATOM 0 H ARG A 238 55.768 -1.484 1.709 1.00 0.00 H new ATOM 0 HA ARG A 238 54.548 -0.625 4.188 1.00 0.00 H new ATOM 0 HB2 ARG A 238 55.273 0.940 1.706 1.00 0.00 H new ATOM 0 HB3 ARG A 238 54.979 1.580 3.311 1.00 0.00 H new ATOM 0 HG2 ARG A 238 56.944 0.447 4.176 1.00 0.00 H new ATOM 0 HG3 ARG A 238 57.205 -0.350 2.637 1.00 0.00 H new ATOM 0 HD2 ARG A 238 58.699 1.473 2.688 1.00 0.00 H new ATOM 0 HD3 ARG A 238 57.416 1.925 1.582 1.00 0.00 H new ATOM 0 HE ARG A 238 56.959 2.860 4.319 1.00 0.00 H new ATOM 0 HH11 ARG A 238 58.198 3.623 1.086 1.00 0.00 H new ATOM 0 HH12 ARG A 238 58.387 5.344 1.435 1.00 0.00 H new ATOM 0 HH21 ARG A 238 57.282 5.071 4.766 1.00 0.00 H new ATOM 0 HH22 ARG A 238 57.872 6.153 3.501 1.00 0.00 H new ATOM 672 N VAL A 239 53.075 -0.589 1.314 1.00 0.00 N ATOM 673 CA VAL A 239 51.894 -0.542 0.568 1.00 0.00 C ATOM 674 C VAL A 239 50.892 -1.615 1.070 1.00 0.00 C ATOM 675 O VAL A 239 49.691 -1.377 1.145 1.00 0.00 O ATOM 676 CB VAL A 239 52.311 -0.713 -0.903 1.00 0.00 C ATOM 677 CG1 VAL A 239 51.233 -1.226 -1.742 1.00 0.00 C ATOM 678 CG2 VAL A 239 52.823 0.603 -1.450 1.00 0.00 C ATOM 0 H VAL A 239 53.884 -0.861 0.755 1.00 0.00 H new ATOM 0 HA VAL A 239 51.363 0.403 0.680 1.00 0.00 H new ATOM 0 HB VAL A 239 53.107 -1.458 -0.927 1.00 0.00 H new ATOM 0 HG11 VAL A 239 51.587 -1.325 -2.768 1.00 0.00 H new ATOM 0 HG12 VAL A 239 50.916 -2.201 -1.371 1.00 0.00 H new ATOM 0 HG13 VAL A 239 50.390 -0.535 -1.714 1.00 0.00 H new ATOM 0 HG21 VAL A 239 53.116 0.474 -2.492 1.00 0.00 H new ATOM 0 HG22 VAL A 239 52.037 1.355 -1.385 1.00 0.00 H new ATOM 0 HG23 VAL A 239 53.685 0.928 -0.868 1.00 0.00 H new ATOM 688 N TYR A 240 51.418 -2.753 1.442 1.00 0.00 N ATOM 689 CA TYR A 240 50.656 -3.841 2.034 1.00 0.00 C ATOM 690 C TYR A 240 50.201 -3.500 3.471 1.00 0.00 C ATOM 691 O TYR A 240 49.020 -3.636 3.810 1.00 0.00 O ATOM 692 CB TYR A 240 51.527 -5.117 2.010 1.00 0.00 C ATOM 693 CG TYR A 240 51.067 -6.260 2.894 1.00 0.00 C ATOM 694 CD1 TYR A 240 49.988 -7.064 2.556 1.00 0.00 C ATOM 695 CD2 TYR A 240 51.733 -6.524 4.080 1.00 0.00 C ATOM 696 CE1 TYR A 240 49.593 -8.102 3.385 1.00 0.00 C ATOM 697 CE2 TYR A 240 51.349 -7.550 4.907 1.00 0.00 C ATOM 698 CZ TYR A 240 50.280 -8.341 4.563 1.00 0.00 C ATOM 699 OH TYR A 240 49.895 -9.380 5.397 1.00 0.00 O ATOM 0 H TYR A 240 52.411 -2.962 1.343 1.00 0.00 H new ATOM 0 HA TYR A 240 49.748 -4.005 1.453 1.00 0.00 H new ATOM 0 HB2 TYR A 240 51.577 -5.478 0.983 1.00 0.00 H new ATOM 0 HB3 TYR A 240 52.541 -4.845 2.302 1.00 0.00 H new ATOM 0 HD1 TYR A 240 49.451 -6.879 1.638 1.00 0.00 H new ATOM 0 HD2 TYR A 240 52.574 -5.908 4.360 1.00 0.00 H new ATOM 0 HE1 TYR A 240 48.752 -8.722 3.113 1.00 0.00 H new ATOM 0 HE2 TYR A 240 51.886 -7.735 5.826 1.00 0.00 H new ATOM 0 HH TYR A 240 50.485 -9.407 6.179 1.00 0.00 H new ATOM 709 N PHE A 241 51.132 -3.066 4.297 1.00 0.00 N ATOM 710 CA PHE A 241 50.853 -2.758 5.688 1.00 0.00 C ATOM 711 C PHE A 241 50.094 -1.446 5.918 1.00 0.00 C ATOM 712 O PHE A 241 49.067 -1.427 6.609 1.00 0.00 O ATOM 713 CB PHE A 241 52.142 -2.722 6.484 1.00 0.00 C ATOM 714 CG PHE A 241 52.692 -4.055 6.894 1.00 0.00 C ATOM 715 CD1 PHE A 241 51.923 -4.944 7.635 1.00 0.00 C ATOM 716 CD2 PHE A 241 53.984 -4.407 6.576 1.00 0.00 C ATOM 717 CE1 PHE A 241 52.440 -6.161 8.038 1.00 0.00 C ATOM 718 CE2 PHE A 241 54.505 -5.619 6.985 1.00 0.00 C ATOM 719 CZ PHE A 241 53.736 -6.492 7.712 1.00 0.00 C ATOM 0 H PHE A 241 52.103 -2.916 4.024 1.00 0.00 H new ATOM 0 HA PHE A 241 50.196 -3.559 6.027 1.00 0.00 H new ATOM 0 HB2 PHE A 241 52.898 -2.204 5.893 1.00 0.00 H new ATOM 0 HB3 PHE A 241 51.976 -2.127 7.382 1.00 0.00 H new ATOM 0 HD1 PHE A 241 50.909 -4.681 7.899 1.00 0.00 H new ATOM 0 HD2 PHE A 241 54.597 -3.729 6.001 1.00 0.00 H new ATOM 0 HE1 PHE A 241 51.830 -6.849 8.606 1.00 0.00 H new ATOM 0 HE2 PHE A 241 55.522 -5.880 6.731 1.00 0.00 H new ATOM 0 HZ PHE A 241 54.147 -7.439 8.029 1.00 0.00 H new ATOM 729 N LEU A 242 50.580 -0.375 5.359 1.00 0.00 N ATOM 730 CA LEU A 242 50.028 0.937 5.638 1.00 0.00 C ATOM 731 C LEU A 242 49.297 1.578 4.454 1.00 0.00 C ATOM 732 O LEU A 242 48.745 2.683 4.580 1.00 0.00 O ATOM 733 CB LEU A 242 51.079 1.892 6.271 1.00 0.00 C ATOM 734 CG LEU A 242 52.498 1.881 5.681 1.00 0.00 C ATOM 735 CD1 LEU A 242 53.088 3.262 5.777 1.00 0.00 C ATOM 736 CD2 LEU A 242 53.397 0.905 6.464 1.00 0.00 C ATOM 0 H LEU A 242 51.361 -0.376 4.703 1.00 0.00 H new ATOM 0 HA LEU A 242 49.253 0.766 6.385 1.00 0.00 H new ATOM 0 HB2 LEU A 242 50.694 2.909 6.200 1.00 0.00 H new ATOM 0 HB3 LEU A 242 51.154 1.653 7.332 1.00 0.00 H new ATOM 0 HG LEU A 242 52.441 1.564 4.640 1.00 0.00 H new ATOM 0 HD11 LEU A 242 54.095 3.257 5.359 1.00 0.00 H new ATOM 0 HD12 LEU A 242 52.467 3.963 5.219 1.00 0.00 H new ATOM 0 HD13 LEU A 242 53.130 3.568 6.822 1.00 0.00 H new ATOM 0 HD21 LEU A 242 54.399 0.908 6.034 1.00 0.00 H new ATOM 0 HD22 LEU A 242 53.449 1.216 7.508 1.00 0.00 H new ATOM 0 HD23 LEU A 242 52.980 -0.100 6.405 1.00 0.00 H new ATOM 748 N GLY A 243 49.293 0.921 3.320 1.00 0.00 N ATOM 749 CA GLY A 243 48.508 1.414 2.211 1.00 0.00 C ATOM 750 C GLY A 243 49.336 1.886 1.024 1.00 0.00 C ATOM 751 O GLY A 243 50.510 2.220 1.180 1.00 0.00 O ATOM 0 H GLY A 243 49.812 0.061 3.140 1.00 0.00 H new ATOM 0 HA2 GLY A 243 47.833 0.625 1.879 1.00 0.00 H new ATOM 0 HA3 GLY A 243 47.887 2.240 2.558 1.00 0.00 H new